NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
638230 | 6osw | 30608 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLY 32 1H GLY 32 -1.583 1.150 2.602 2 HA2 GLY 32 1HA GLY 32 0.607 1.298 3.476 3 HA3 GLY 32 2HA GLY 32 0.584 0.512 1.909 4 H ILE 33 H ILE 33 1.946 1.255 0.403 5 HA ILE 33 HA ILE 33 3.272 3.858 0.812 6 HB ILE 33 HB ILE 33 3.691 1.652 -1.249 7 HG12 ILE 33 1HG1 ILE 33 5.478 2.558 1.017 8 HG13 ILE 33 2HG1 ILE 33 4.357 1.211 1.135 9 HG21 ILE 33 1HG2 ILE 33 5.690 2.919 -1.926 10 HG22 ILE 33 2HG2 ILE 33 4.208 3.859 -2.216 11 HG23 ILE 33 3HG2 ILE 33 5.237 4.234 -0.815 12 HD11 ILE 33 1HD1 ILE 33 6.611 0.436 0.652 13 HD12 ILE 33 2HD1 ILE 33 5.517 0.066 -0.704 14 HD13 ILE 33 3HD1 ILE 33 6.655 1.430 -0.823 15 H ARG 34 H ARG 34 2.813 5.676 -0.217 16 HA ARG 34 HA ARG 34 1.014 5.510 -2.595 17 HB2 ARG 34 1HB ARG 34 0.872 7.529 -0.329 18 HB3 ARG 34 2HB ARG 34 -0.080 7.595 -1.804 19 HG2 ARG 34 1HG ARG 34 -1.058 5.357 -1.172 20 HG3 ARG 34 2HG ARG 34 -0.236 5.530 0.397 21 HD2 ARG 34 1HD ARG 34 -2.483 6.276 0.612 22 HD3 ARG 34 2HD ARG 34 -1.403 7.687 0.698 23 HE ARG 34 HE ARG 34 -2.323 7.220 -1.979 24 HH11 ARG 34 1HH1 ARG 34 -3.280 8.539 1.133 25 HH12 ARG 34 2HH1 ARG 34 -4.443 9.649 0.444 26 HH21 ARG 34 1HH2 ARG 34 -3.836 8.665 -2.861 27 HH22 ARG 34 2HH2 ARG 34 -4.759 9.722 -1.815 28 H VAL 35 H VAL 35 1.301 7.047 -4.202 29 HA VAL 35 HA VAL 35 3.441 9.068 -3.755 30 HB VAL 35 HB VAL 35 3.169 7.358 -6.263 31 HG11 VAL 35 1HG1 VAL 35 5.226 8.473 -6.977 32 HG12 VAL 35 2HG1 VAL 35 3.887 9.624 -6.752 33 HG13 VAL 35 3HG1 VAL 35 5.171 9.501 -5.526 34 HG21 VAL 35 1HG2 VAL 35 5.358 6.429 -5.579 35 HG22 VAL 35 2HG2 VAL 35 5.298 7.393 -4.084 36 HG23 VAL 35 3HG2 VAL 35 4.108 6.097 -4.356 37 H MET 36 H MET 36 2.872 11.049 -4.348 38 HA MET 36 HA MET 36 0.864 11.446 -6.470 39 HB2 MET 36 1HB MET 36 -0.634 12.762 -5.081 40 HB3 MET 36 2HB MET 36 -0.473 11.154 -4.390 41 HG2 MET 36 1HG MET 36 1.314 12.185 -2.846 42 HG3 MET 36 2HG MET 36 0.696 13.747 -3.387 43 HE1 MET 36 1HE MET 36 -1.514 10.661 -0.779 44 HE2 MET 36 2HE MET 36 -0.901 10.233 -2.395 45 HE3 MET 36 3HE MET 36 0.236 10.702 -1.108 46 H ASP 37 H ASP 37 0.756 13.566 -7.278 47 HA ASP 37 HA ASP 37 3.267 14.936 -7.287 48 HB2 ASP 37 1HB ASP 37 0.500 15.766 -8.239 49 HB3 ASP 37 2HB ASP 37 1.938 16.747 -8.490 50 H HIS 38 H HIS 38 3.974 16.793 -6.336 51 HA HIS 38 HA HIS 38 2.777 17.654 -3.852 52 HB2 HIS 38 1HB HIS 38 5.248 17.835 -4.615 53 HB3 HIS 38 2HB HIS 38 4.739 19.273 -5.490 54 HD2 HIS 38 HD2 HIS 38 5.851 18.280 -1.983 55 HE1 HIS 38 HE1 HIS 38 4.082 22.143 -1.654 56 HE2 HIS 38 HE2 HIS 38 5.481 20.369 -0.474 57 HA PRO 39 HA PRO 39 -0.520 20.004 -5.245 58 HB2 PRO 39 1HB PRO 39 0.212 21.719 -2.824 59 HB3 PRO 39 2HB PRO 39 -1.384 21.153 -3.334 60 HG2 PRO 39 1HG PRO 39 -0.167 19.842 -1.373 61 HG3 PRO 39 2HG PRO 39 -0.967 18.911 -2.642 62 HD2 PRO 39 1HD PRO 39 1.989 19.508 -2.272 63 HD3 PRO 39 2HD PRO 39 1.191 17.979 -2.823 64 H THR 40 H THR 40 2.500 21.648 -4.285 65 HA THR 40 HA THR 40 1.638 24.030 -5.872 66 HB THR 40 HB THR 40 2.936 25.420 -4.294 67 HG1 THR 40 HG1 THR 40 4.143 23.221 -3.691 68 HG21 THR 40 1HG2 THR 40 1.486 25.159 -2.320 69 HG22 THR 40 2HG2 THR 40 0.547 24.997 -3.824 70 HG23 THR 40 3HG2 THR 40 0.991 23.549 -2.892 71 H MET 41 H MET 41 3.888 21.527 -5.601 72 HA MET 41 HA MET 41 5.921 23.106 -7.122 73 HB2 MET 41 1HB MET 41 6.342 20.818 -5.160 74 HB3 MET 41 2HB MET 41 7.609 21.520 -6.155 75 HG2 MET 41 1HG MET 41 7.379 23.660 -5.028 76 HG3 MET 41 2HG MET 41 5.994 23.066 -4.108 77 HE1 MET 41 1HE MET 41 8.583 23.280 -1.246 78 HE2 MET 41 2HE MET 41 8.282 24.434 -2.569 79 HE3 MET 41 3HE MET 41 6.915 23.621 -1.767 80 HA PRO 42 HA PRO 42 4.396 20.184 -10.136 81 HB2 PRO 42 1HB PRO 42 6.278 21.899 -11.797 82 HB3 PRO 42 2HB PRO 42 4.643 21.349 -12.183 83 HG2 PRO 42 1HG PRO 42 4.967 23.867 -11.389 84 HG3 PRO 42 2HG PRO 42 3.614 22.937 -10.738 85 HD2 PRO 42 1HD PRO 42 6.312 23.550 -9.461 86 HD3 PRO 42 2HD PRO 42 4.662 23.597 -8.718 87 H ASP 43 H ASP 43 7.642 21.064 -9.196 88 HA ASP 43 HA ASP 43 8.841 18.896 -10.827 89 HB2 ASP 43 1HB ASP 43 10.089 21.130 -9.180 90 HB3 ASP 43 2HB ASP 43 11.016 19.894 -10.019 91 H THR 44 H THR 44 7.335 19.045 -7.964 92 HA THR 44 HA THR 44 9.186 17.053 -6.725 93 HB THR 44 HB THR 44 7.569 19.184 -5.255 94 HG1 THR 44 HG1 THR 44 10.202 19.010 -6.157 95 HG21 THR 44 1HG2 THR 44 8.716 18.320 -3.253 96 HG22 THR 44 2HG2 THR 44 7.727 17.052 -4.017 97 HG23 THR 44 3HG2 THR 44 9.493 17.057 -4.236 98 H GLN 45 H GLN 45 8.314 15.228 -5.946 99 HA GLN 45 HA GLN 45 5.328 15.077 -5.885 100 HB2 GLN 45 1HB GLN 45 7.364 12.912 -6.537 101 HB3 GLN 45 2HB GLN 45 5.658 12.596 -6.254 102 HG2 GLN 45 1HG GLN 45 5.152 14.191 -8.149 103 HG3 GLN 45 2HG GLN 45 6.903 14.179 -8.501 104 HE21 GLN 45 1HE2 GLN 45 4.621 11.409 -10.132 105 HE22 GLN 45 2HE2 GLN 45 4.114 12.967 -9.571 106 H VAL 46 H VAL 46 4.432 13.525 -4.337 107 HA VAL 46 HA VAL 46 6.069 13.550 -1.835 108 HB VAL 46 HB VAL 46 3.039 13.666 -2.162 109 HG11 VAL 46 1HG1 VAL 46 2.991 14.010 0.260 110 HG12 VAL 46 2HG1 VAL 46 3.674 12.426 -0.175 111 HG13 VAL 46 3HG1 VAL 46 4.749 13.751 0.331 112 HG21 VAL 46 1HG2 VAL 46 3.291 15.954 -1.252 113 HG22 VAL 46 2HG2 VAL 46 5.059 15.750 -1.234 114 HG23 VAL 46 3HG2 VAL 46 4.181 15.769 -2.782 115 H VAL 47 H VAL 47 6.438 11.697 -0.797 116 HA VAL 47 HA VAL 47 4.979 9.275 -1.769 117 HB VAL 47 HB VAL 47 7.920 9.467 -0.985 118 HG11 VAL 47 1HG1 VAL 47 8.056 7.160 -1.788 119 HG12 VAL 47 2HG1 VAL 47 6.942 7.321 -0.409 120 HG13 VAL 47 3HG1 VAL 47 6.299 7.151 -2.059 121 HG21 VAL 47 1HG2 VAL 47 8.342 9.036 -3.385 122 HG22 VAL 47 2HG2 VAL 47 6.591 9.091 -3.700 123 HG23 VAL 47 3HG2 VAL 47 7.443 10.554 -3.152 124 H VAL 48 H VAL 48 4.127 7.983 -0.271 125 HA VAL 48 HA VAL 48 4.744 8.622 2.578 126 HB VAL 48 HB VAL 48 2.298 7.265 1.362 127 HG11 VAL 48 1HG1 VAL 48 1.328 7.467 3.600 128 HG12 VAL 48 2HG1 VAL 48 2.776 6.434 3.593 129 HG13 VAL 48 3HG1 VAL 48 2.874 8.100 4.212 130 HG21 VAL 48 1HG2 VAL 48 1.138 9.355 2.001 131 HG22 VAL 48 2HG2 VAL 48 2.684 10.041 2.558 132 HG23 VAL 48 3HG2 VAL 48 2.442 9.673 0.833 133 H ILE 49 H ILE 49 5.805 7.195 3.755 134 HA ILE 49 HA ILE 49 5.875 4.366 2.791 135 HB ILE 49 HB ILE 49 8.083 5.908 4.218 136 HG12 ILE 49 1HG1 ILE 49 9.154 5.168 1.862 137 HG13 ILE 49 2HG1 ILE 49 7.487 5.391 1.356 138 HG21 ILE 49 1HG2 ILE 49 9.430 3.893 3.786 139 HG22 ILE 49 2HG2 ILE 49 8.027 3.515 4.812 140 HG23 ILE 49 3HG2 ILE 49 8.007 3.087 3.085 141 HD11 ILE 49 1HD1 ILE 49 8.777 7.427 1.042 142 HD12 ILE 49 2HD1 ILE 49 7.504 7.676 2.261 143 HD13 ILE 49 3HD1 ILE 49 9.193 7.452 2.770 144 HA PRO 50 HA PRO 50 3.903 3.860 6.650 145 HB2 PRO 50 1HB PRO 50 3.334 1.176 6.427 146 HB3 PRO 50 2HB PRO 50 2.464 2.410 5.507 147 HG2 PRO 50 1HG PRO 50 4.819 0.683 4.634 148 HG3 PRO 50 2HG PRO 50 3.309 0.991 3.770 149 HD2 PRO 50 1HD PRO 50 5.569 2.391 3.192 150 HD3 PRO 50 2HD PRO 50 3.938 3.175 3.135 151 H LYS 51 H LYS 51 4.143 2.516 8.642 152 HA LYS 51 HA LYS 51 6.893 2.496 9.411 153 HB2 LYS 51 1HB LYS 51 5.002 2.920 10.976 154 HB3 LYS 51 2HB LYS 51 4.499 1.242 10.818 155 HG2 LYS 51 1HG LYS 51 6.594 0.485 11.834 156 HG3 LYS 51 2HG LYS 51 7.168 2.156 11.931 157 HD2 LYS 51 1HD LYS 51 5.274 2.725 13.416 158 HD3 LYS 51 2HD LYS 51 4.690 1.058 13.312 159 HE2 LYS 51 1HE LYS 51 6.802 0.257 14.324 160 HE3 LYS 51 2HE LYS 51 7.385 1.919 14.428 161 HZ1 LYS 51 1HZ LYS 51 6.457 1.179 16.496 162 HZ2 LYS 51 2HZ LYS 51 5.546 2.412 15.888 163 HZ3 LYS 51 3HZ LYS 51 5.002 0.858 15.792 164 H SER 52 H SER 52 8.416 0.993 9.448 165 HA SER 52 HA SER 52 9.306 -1.162 9.685 166 HB2 SER 52 1HB SER 52 7.984 -3.036 9.966 167 HB3 SER 52 2HB SER 52 6.878 -1.769 10.474 168 HG SER 52 HG SER 52 5.707 -2.077 8.800 169 H ALA 53 H ALA 53 7.726 0.249 7.062 170 HA ALA 53 HA ALA 53 8.472 -1.663 5.029 171 HB1 ALA 53 1HB ALA 53 8.020 0.190 3.456 172 HB2 ALA 53 2HB ALA 53 6.711 0.002 4.646 173 HB3 ALA 53 3HB ALA 53 7.896 1.315 4.828 174 H ASP 54 H ASP 54 10.137 -1.556 3.507 175 HA ASP 54 HA ASP 54 12.662 -0.625 4.635 176 HB2 ASP 54 1HB ASP 54 12.478 -2.771 3.384 177 HB3 ASP 54 2HB ASP 54 12.054 -1.882 1.928 178 H LEU 55 H LEU 55 12.415 1.627 4.729 179 HA LEU 55 HA LEU 55 11.565 3.295 2.636 180 HB2 LEU 55 1HB LEU 55 11.919 4.080 4.931 181 HB3 LEU 55 2HB LEU 55 13.659 3.821 4.775 182 HG LEU 55 HG LEU 55 13.760 5.597 3.050 183 HD11 LEU 55 1HD1 LEU 55 11.791 7.014 2.669 184 HD12 LEU 55 2HD1 LEU 55 11.503 5.335 2.154 185 HD13 LEU 55 3HD1 LEU 55 10.814 5.927 3.684 186 HD21 LEU 55 1HD2 LEU 55 13.330 7.476 4.597 187 HD22 LEU 55 2HD2 LEU 55 12.374 6.397 5.642 188 HD23 LEU 55 3HD2 LEU 55 14.120 6.122 5.439 189 H GLN 56 H GLN 56 14.742 1.859 3.240 190 HA GLN 56 HA GLN 56 16.205 3.515 1.433 191 HB2 GLN 56 1HB GLN 56 17.205 2.057 3.228 192 HB3 GLN 56 2HB GLN 56 16.820 0.648 2.251 193 HG2 GLN 56 1HG GLN 56 19.130 1.210 1.958 194 HG3 GLN 56 2HG GLN 56 18.258 1.553 0.438 195 HE21 GLN 56 1HE2 GLN 56 19.549 4.757 0.273 196 HE22 GLN 56 2HE2 GLN 56 19.070 3.292 -0.518 197 H SER 57 H SER 57 14.553 0.396 1.005 198 HA SER 57 HA SER 57 15.311 0.060 -1.745 199 HB2 SER 57 1HB SER 57 13.014 -1.001 -0.081 200 HB3 SER 57 2HB SER 57 13.227 -1.428 -1.772 201 HG SER 57 HG SER 57 14.622 -2.178 0.444 202 H VAL 58 H VAL 58 12.561 1.641 -0.146 203 HA VAL 58 HA VAL 58 11.110 2.299 -2.509 204 HB VAL 58 HB VAL 58 11.303 3.712 0.184 205 HG11 VAL 58 1HG1 VAL 58 9.239 4.869 -0.441 206 HG12 VAL 58 2HG1 VAL 58 10.594 5.299 -1.511 207 HG13 VAL 58 3HG1 VAL 58 9.340 4.167 -2.073 208 HG21 VAL 58 1HG2 VAL 58 9.122 2.608 0.574 209 HG22 VAL 58 2HG2 VAL 58 9.229 1.835 -1.026 210 HG23 VAL 58 3HG2 VAL 58 10.399 1.412 0.246 211 H ILE 59 H ILE 59 13.592 4.112 -0.680 212 HA ILE 59 HA ILE 59 13.640 6.404 -2.354 213 HB ILE 59 HB ILE 59 15.760 5.122 -0.593 214 HG12 ILE 59 1HG1 ILE 59 14.222 7.701 -0.254 215 HG13 ILE 59 2HG1 ILE 59 13.693 6.163 0.409 216 HG21 ILE 59 1HG2 ILE 59 17.067 7.189 -0.878 217 HG22 ILE 59 2HG2 ILE 59 16.888 6.327 -2.424 218 HG23 ILE 59 3HG2 ILE 59 15.899 7.766 -2.089 219 HD11 ILE 59 1HD1 ILE 59 14.859 7.485 2.084 220 HD12 ILE 59 2HD1 ILE 59 15.768 6.000 1.717 221 HD13 ILE 59 3HD1 ILE 59 16.303 7.559 1.047 222 H SER 60 H SER 60 15.488 3.360 -2.514 223 HA SER 60 HA SER 60 17.212 4.014 -4.630 224 HB2 SER 60 1HB SER 60 15.861 1.366 -4.019 225 HB3 SER 60 2HB SER 60 17.221 1.566 -5.111 226 HG SER 60 HG SER 60 17.117 2.171 -2.365 227 H VAL 61 H VAL 61 13.905 2.671 -4.782 228 HA VAL 61 HA VAL 61 13.744 2.558 -7.623 229 HB VAL 61 HB VAL 61 11.589 2.932 -5.504 230 HG11 VAL 61 1HG1 VAL 61 9.979 2.273 -7.223 231 HG12 VAL 61 2HG1 VAL 61 10.787 3.808 -7.620 232 HG13 VAL 61 3HG1 VAL 61 11.273 2.307 -8.445 233 HG21 VAL 61 1HG2 VAL 61 11.185 0.530 -5.932 234 HG22 VAL 61 2HG2 VAL 61 12.518 0.517 -7.110 235 HG23 VAL 61 3HG2 VAL 61 12.854 0.814 -5.387 236 H LEU 62 H LEU 62 12.963 5.138 -5.297 237 HA LEU 62 HA LEU 62 11.728 6.889 -7.182 238 HB2 LEU 62 1HB LEU 62 13.150 7.443 -4.556 239 HB3 LEU 62 2HB LEU 62 12.257 8.664 -5.467 240 HG LEU 62 HG LEU 62 11.047 6.132 -4.303 241 HD11 LEU 62 1HD1 LEU 62 10.034 7.651 -2.665 242 HD12 LEU 62 2HD1 LEU 62 11.811 7.669 -2.568 243 HD13 LEU 62 3HD1 LEU 62 10.948 9.009 -3.361 244 HD21 LEU 62 1HD2 LEU 62 8.913 7.242 -4.873 245 HD22 LEU 62 2HD2 LEU 62 9.811 8.596 -5.600 246 HD23 LEU 62 3HD2 LEU 62 9.904 6.975 -6.328 247 H THR 63 H THR 63 15.090 6.514 -6.107 248 HA THR 63 HA THR 63 16.072 8.820 -7.527 249 HB THR 63 HB THR 63 18.326 7.770 -7.179 250 HG1 THR 63 HG1 THR 63 16.699 5.589 -6.652 251 HG21 THR 63 1HG2 THR 63 18.264 7.856 -4.717 252 HG22 THR 63 2HG2 THR 63 17.298 9.173 -5.424 253 HG23 THR 63 3HG2 THR 63 16.490 7.737 -4.753 254 H ALA 64 H ALA 64 15.650 5.412 -8.354 255 HA ALA 64 HA ALA 64 17.061 5.520 -10.844 256 HB1 ALA 64 1HB ALA 64 15.819 3.450 -11.383 257 HB2 ALA 64 2HB ALA 64 16.507 3.398 -9.742 258 HB3 ALA 64 3HB ALA 64 14.773 3.721 -9.970 259 H LYS 65 H LYS 65 13.530 5.529 -10.224 260 HA LYS 65 HA LYS 65 12.917 6.192 -12.958 261 HB2 LYS 65 1HB LYS 65 11.262 6.295 -10.410 262 HB3 LYS 65 2HB LYS 65 10.608 6.660 -12.002 263 HG2 LYS 65 1HG LYS 65 11.854 4.015 -11.196 264 HG3 LYS 65 2HG LYS 65 10.120 4.357 -11.277 265 HD2 LYS 65 1HD LYS 65 10.283 4.800 -13.680 266 HD3 LYS 65 2HD LYS 65 12.039 4.576 -13.626 267 HE2 LYS 65 1HE LYS 65 11.697 2.228 -12.883 268 HE3 LYS 65 2HE LYS 65 9.952 2.458 -12.993 269 HZ1 LYS 65 1HZ LYS 65 10.830 1.416 -14.951 270 HZ2 LYS 65 2HZ LYS 65 10.215 2.898 -15.337 271 HZ3 LYS 65 3HZ LYS 65 11.848 2.682 -15.234 272 H GLY 66 H GLY 66 13.702 8.067 -10.138 273 HA2 GLY 66 1HA GLY 66 12.508 10.552 -10.835 274 HA3 GLY 66 2HA GLY 66 13.926 10.354 -9.823 275 H LYS 67 H LYS 67 15.293 8.862 -12.099 276 HA LYS 67 HA LYS 67 16.211 11.340 -13.478 277 HB2 LYS 67 1HB LYS 67 17.640 8.713 -12.926 278 HB3 LYS 67 2HB LYS 67 18.313 10.011 -13.900 279 HG2 LYS 67 1HG LYS 67 18.134 11.523 -11.903 280 HG3 LYS 67 2HG LYS 67 17.629 10.121 -10.952 281 HD2 LYS 67 1HD LYS 67 20.204 10.155 -12.554 282 HD3 LYS 67 2HD LYS 67 20.117 10.722 -10.880 283 HE2 LYS 67 1HE LYS 67 19.184 8.488 -10.224 284 HE3 LYS 67 2HE LYS 67 19.430 7.937 -11.884 285 HZ1 LYS 67 1HZ LYS 67 21.246 7.314 -10.468 286 HZ2 LYS 67 2HZ LYS 67 21.775 8.372 -11.618 287 HZ3 LYS 67 3HZ LYS 67 21.544 8.886 -10.067 288 H GLU 68 H GLU 68 14.926 8.133 -13.963 289 HA GLU 68 HA GLU 68 15.581 7.707 -16.666 290 HB2 GLU 68 1HB GLU 68 14.458 6.034 -15.218 291 HB3 GLU 68 2HB GLU 68 12.992 7.004 -15.225 292 HG2 GLU 68 1HG GLU 68 12.788 6.689 -17.656 293 HG3 GLU 68 2HG GLU 68 14.263 5.726 -17.655 294 H ALA 69 H ALA 69 12.835 9.506 -15.267 295 HA ALA 69 HA ALA 69 12.315 10.601 -17.990 296 HB1 ALA 69 1HB ALA 69 10.080 11.212 -17.122 297 HB2 ALA 69 2HB ALA 69 10.386 9.465 -16.982 298 HB3 ALA 69 3HB ALA 69 10.508 10.509 -15.546 299 H GLY 70 H GLY 70 11.325 11.984 -14.892 300 HA2 GLY 70 1HA GLY 70 12.338 13.773 -13.701 301 HA3 GLY 70 2HA GLY 70 13.460 14.024 -15.025 302 HA PRO 71 HA PRO 71 9.706 16.824 -15.525 303 HB2 PRO 71 1HB PRO 71 9.782 18.740 -13.625 304 HB3 PRO 71 2HB PRO 71 9.053 17.166 -13.276 305 HG2 PRO 71 1HG PRO 71 11.837 18.183 -12.575 306 HG3 PRO 71 2HG PRO 71 10.684 17.340 -11.536 307 HD2 PRO 71 1HD PRO 71 12.745 16.061 -12.889 308 HD3 PRO 71 2HD PRO 71 11.204 15.243 -12.411 309 H GLN 72 H GLN 72 9.929 19.480 -15.605 310 HA GLN 72 HA GLN 72 12.192 20.067 -17.260 311 HB2 GLN 72 1HB GLN 72 10.185 21.867 -15.851 312 HB3 GLN 72 2HB GLN 72 11.422 22.472 -16.945 313 HG2 GLN 72 1HG GLN 72 10.486 21.176 -18.781 314 HG3 GLN 72 2HG GLN 72 9.264 20.481 -17.679 315 HE21 GLN 72 1HE2 GLN 72 7.933 23.425 -19.664 316 HE22 GLN 72 2HE2 GLN 72 8.831 22.015 -20.121 317 H GLY 73 H GLY 73 11.503 20.602 -13.827 318 HA2 GLY 73 1HA GLY 73 14.140 21.930 -13.481 319 HA3 GLY 73 2HA GLY 73 12.856 21.854 -12.289 320 H ARG 74 H ARG 74 14.523 21.171 -10.785 321 HA ARG 74 HA ARG 74 15.754 18.543 -11.184 322 HB2 ARG 74 1HB ARG 74 15.701 20.442 -8.815 323 HB3 ARG 74 2HB ARG 74 16.564 18.911 -8.825 324 HG2 ARG 74 1HG ARG 74 17.938 19.717 -10.723 325 HG3 ARG 74 2HG ARG 74 17.095 21.282 -10.631 326 HD2 ARG 74 1HD ARG 74 17.865 21.546 -8.336 327 HD3 ARG 74 2HD ARG 74 18.732 19.998 -8.456 328 HE ARG 74 HE ARG 74 19.572 21.615 -10.594 329 HH11 ARG 74 1HH1 ARG 74 19.721 21.577 -7.084 330 HH12 ARG 74 2HH1 ARG 74 21.234 22.453 -7.014 331 HH21 ARG 74 1HH2 ARG 74 21.535 22.750 -10.490 332 HH22 ARG 74 2HH2 ARG 74 22.261 23.118 -8.941 333 H ASN 75 H ASN 75 15.099 16.628 -10.419 334 HA ASN 75 HA ASN 75 12.320 16.527 -9.482 335 HB2 ASN 75 1HB ASN 75 13.405 15.009 -11.263 336 HB3 ASN 75 2HB ASN 75 14.163 14.167 -9.918 337 HD21 ASN 75 1HD2 ASN 75 11.033 12.412 -10.752 338 HD22 ASN 75 2HD2 ASN 75 12.515 12.798 -11.562 339 H LYS 76 H LYS 76 11.772 16.635 -7.455 340 HA LYS 76 HA LYS 76 13.542 15.282 -5.463 341 HB2 LYS 76 1HB LYS 76 12.013 17.892 -5.131 342 HB3 LYS 76 2HB LYS 76 12.803 17.030 -3.819 343 HG2 LYS 76 1HG LYS 76 14.984 17.301 -4.995 344 HG3 LYS 76 2HG LYS 76 14.159 18.252 -6.238 345 HD2 LYS 76 1HD LYS 76 13.441 19.880 -4.524 346 HD3 LYS 76 2HD LYS 76 14.252 18.926 -3.273 347 HE2 LYS 76 1HE LYS 76 16.420 19.280 -4.393 348 HE3 LYS 76 2HE LYS 76 15.623 20.206 -5.668 349 HZ1 LYS 76 1HZ LYS 76 16.591 21.629 -4.016 350 HZ2 LYS 76 2HZ LYS 76 14.951 21.801 -4.006 351 HZ3 LYS 76 3HZ LYS 76 15.697 20.936 -2.816 352 H PHE 77 H PHE 77 12.567 14.213 -3.761 353 HA PHE 77 HA PHE 77 9.587 14.027 -3.905 354 HB2 PHE 77 1HB PHE 77 11.601 11.841 -3.256 355 HB3 PHE 77 2HB PHE 77 9.870 11.684 -3.006 356 HD1 PHE 77 HD1 PHE 77 12.515 12.059 -5.554 357 HD2 PHE 77 HD2 PHE 77 8.382 11.263 -4.819 358 HE1 PHE 77 HE1 PHE 77 12.248 11.298 -7.891 359 HE2 PHE 77 HE2 PHE 77 8.112 10.498 -7.155 360 HZ PHE 77 HZ PHE 77 10.046 10.517 -8.690 361 H ILE 78 H ILE 78 8.443 14.060 -2.017 362 HA ILE 78 HA ILE 78 10.020 14.630 0.447 363 HB ILE 78 HB ILE 78 7.054 15.094 -0.079 364 HG12 ILE 78 1HG1 ILE 78 8.377 16.501 -1.539 365 HG13 ILE 78 2HG1 ILE 78 7.633 17.460 -0.268 366 HG21 ILE 78 1HG2 ILE 78 7.182 16.466 1.960 367 HG22 ILE 78 2HG2 ILE 78 7.622 14.776 2.298 368 HG23 ILE 78 3HG2 ILE 78 8.891 16.015 2.161 369 HD11 ILE 78 1HD1 ILE 78 9.921 18.171 -0.676 370 HD12 ILE 78 2HD1 ILE 78 9.757 17.501 0.964 371 HD13 ILE 78 3HD1 ILE 78 10.513 16.531 -0.322 372 H LEU 79 H LEU 79 10.209 13.141 1.960 373 HA LEU 79 HA LEU 79 8.636 10.649 1.560 374 HB2 LEU 79 1HB LEU 79 11.158 11.044 3.201 375 HB3 LEU 79 2HB LEU 79 10.427 9.512 2.714 376 HG LEU 79 HG LEU 79 11.798 11.525 0.899 377 HD11 LEU 79 1HD1 LEU 79 13.414 9.704 0.593 378 HD12 LEU 79 2HD1 LEU 79 13.309 10.209 2.297 379 HD13 LEU 79 3HD1 LEU 79 12.514 8.709 1.762 380 HD21 LEU 79 1HD2 LEU 79 11.386 9.858 -0.877 381 HD22 LEU 79 2HD2 LEU 79 10.457 8.863 0.270 382 HD23 LEU 79 3HD2 LEU 79 9.854 10.468 -0.207 383 H LEU 80 H LEU 80 7.018 10.221 2.865 384 HA LEU 80 HA LEU 80 6.984 11.532 5.542 385 HB2 LEU 80 1HB LEU 80 4.815 10.505 3.702 386 HB3 LEU 80 2HB LEU 80 4.502 10.786 5.418 387 HG LEU 80 HG LEU 80 5.304 13.188 5.026 388 HD11 LEU 80 1HD1 LEU 80 5.185 13.983 2.706 389 HD12 LEU 80 2HD1 LEU 80 6.475 12.778 2.923 390 HD13 LEU 80 3HD1 LEU 80 4.945 12.311 2.146 391 HD21 LEU 80 1HD2 LEU 80 3.105 13.842 4.104 392 HD22 LEU 80 2HD2 LEU 80 2.834 12.168 3.563 393 HD23 LEU 80 3HD2 LEU 80 2.934 12.536 5.302 394 H SER 81 H SER 81 6.998 10.396 7.371 395 HA SER 81 HA SER 81 7.312 7.463 7.120 396 HB2 SER 81 1HB SER 81 9.024 8.630 8.382 397 HB3 SER 81 2HB SER 81 7.816 9.399 9.400 398 HG SER 81 HG SER 81 7.386 6.803 9.420 399 H GLY 82 H GLY 82 5.621 6.200 7.347 400 HA2 GLY 82 1HA GLY 82 3.952 5.332 8.963 401 HA3 GLY 82 2HA GLY 82 3.513 6.990 9.326 402 H ASP 83 H ASP 83 1.741 4.896 8.457 403 HA ASP 83 HA ASP 83 1.092 5.462 5.653 404 HB2 ASP 83 1HB ASP 83 0.784 3.195 6.737 405 HB3 ASP 83 2HB ASP 83 -0.511 3.885 7.703 406 H THR 84 H THR 84 -0.024 7.158 5.011 407 HA THR 84 HA THR 84 -1.393 8.756 7.092 408 HB THR 84 HB THR 84 -1.353 10.583 5.436 409 HG1 THR 84 HG1 THR 84 -1.264 8.686 3.682 410 HG21 THR 84 1HG2 THR 84 1.091 10.845 5.254 411 HG22 THR 84 2HG2 THR 84 0.635 10.226 6.859 412 HG23 THR 84 3HG2 THR 84 1.309 9.122 5.637 413 H SER 85 H SER 85 -2.273 6.336 5.101 414 HA SER 85 HA SER 85 -4.669 7.423 3.903 415 HB2 SER 85 1HB SER 85 -3.598 5.433 2.992 416 HB3 SER 85 2HB SER 85 -3.816 4.574 4.509 417 HG SER 85 HG SER 85 -5.798 4.234 4.060 418 H ALA 569 1H ALA 569 8.961 22.691 3.783 419 HA ALA 569 HA ALA 569 10.595 23.066 5.446 420 HB1 ALA 569 1HB ALA 569 12.211 24.259 4.003 421 HB2 ALA 569 2HB ALA 569 11.266 23.062 3.085 422 HB3 ALA 569 3HB ALA 569 10.874 24.792 2.959 423 H GLN 570 H GLN 570 11.521 24.339 6.951 424 HA GLN 570 HA GLN 570 9.882 26.558 7.831 425 HB2 GLN 570 1HB GLN 570 10.915 25.048 9.458 426 HB3 GLN 570 2HB GLN 570 12.522 25.453 8.871 427 HG2 GLN 570 1HG GLN 570 12.167 26.626 10.906 428 HG3 GLN 570 2HG GLN 570 12.109 27.824 9.582 429 HE21 GLN 570 1HE2 GLN 570 9.088 29.089 10.685 430 HE22 GLN 570 2HE2 GLN 570 10.659 29.343 10.001 431 H ALA 571 H ALA 571 10.048 28.632 7.408 432 HA ALA 571 HA ALA 571 12.363 29.584 5.859 433 HB1 ALA 571 1HB ALA 571 11.054 31.672 5.646 434 HB2 ALA 571 2HB ALA 571 10.107 30.247 5.154 435 HB3 ALA 571 3HB ALA 571 9.822 31.002 6.740 436 H GLY 572 H GLY 572 13.495 31.550 6.397 437 HA2 GLY 572 1HA GLY 572 13.882 33.303 8.117 438 HA3 GLY 572 2HA GLY 572 13.576 32.089 9.345 439 H ALA 573 H ALA 573 15.192 30.529 6.908 440 HA ALA 573 HA ALA 573 17.897 31.440 7.535 441 HB1 ALA 573 1HB ALA 573 18.658 29.251 8.403 442 HB2 ALA 573 2HB ALA 573 17.449 30.000 9.473 443 HB3 ALA 573 3HB ALA 573 16.978 28.670 8.389 444 H ALA 574 H ALA 574 19.530 30.452 6.230 445 HA ALA 574 HA ALA 574 18.749 29.675 3.611 446 HB1 ALA 574 1HB ALA 574 21.107 28.979 3.337 447 HB2 ALA 574 2HB ALA 574 20.977 30.570 4.124 448 HB3 ALA 574 3HB ALA 574 21.346 29.125 5.094 449 H ASN 575 H ASN 575 19.349 27.803 6.535 450 HA ASN 575 HA ASN 575 19.349 25.268 5.054 451 HB2 ASN 575 1HB ASN 575 19.451 25.885 8.025 452 HB3 ASN 575 2HB ASN 575 19.546 24.268 7.340 453 HD21 ASN 575 1HD2 ASN 575 22.905 26.057 7.932 454 HD22 ASN 575 2HD2 ASN 575 21.438 26.139 8.848 455 H ARG 576 H ARG 576 17.178 25.845 4.134 456 HA ARG 576 HA ARG 576 14.922 25.835 5.977 457 HB2 ARG 576 1HB ARG 576 15.072 25.762 2.946 458 HB3 ARG 576 2HB ARG 576 13.572 25.856 3.855 459 HG2 ARG 576 1HG ARG 576 14.512 27.992 4.905 460 HG3 ARG 576 2HG ARG 576 15.755 27.922 3.632 461 HD2 ARG 576 1HD ARG 576 13.948 29.339 2.949 462 HD3 ARG 576 2HD ARG 576 13.980 27.871 1.946 463 HE ARG 576 HE ARG 576 12.233 27.414 4.104 464 HH11 ARG 576 1HH1 ARG 576 12.465 29.450 1.252 465 HH12 ARG 576 2HH1 ARG 576 10.732 29.574 1.045 466 HH21 ARG 576 1HH2 ARG 576 9.987 27.581 3.827 467 HH22 ARG 576 2HH2 ARG 576 9.327 28.516 2.502 468 H SER 577 H SER 577 15.559 23.716 6.933 469 HA SER 577 HA SER 577 14.983 21.343 5.316 470 HB2 SER 577 1HB SER 577 15.467 20.099 7.318 471 HB3 SER 577 2HB SER 577 16.673 21.365 7.154 472 HG SER 577 HG SER 577 14.655 21.035 8.984 473 H LEU 578 H LEU 578 13.422 19.689 6.194 474 HA LEU 578 HA LEU 578 10.808 20.929 6.618 475 HB2 LEU 578 1HB LEU 578 11.659 18.012 6.558 476 HB3 LEU 578 2HB LEU 578 9.989 18.585 6.617 477 HG LEU 578 HG LEU 578 11.946 19.042 4.337 478 HD11 LEU 578 1HD1 LEU 578 10.472 17.503 3.118 479 HD12 LEU 578 2HD1 LEU 578 11.210 16.722 4.537 480 HD13 LEU 578 3HD1 LEU 578 9.512 17.252 4.595 481 HD21 LEU 578 1HD2 LEU 578 9.967 19.961 3.175 482 HD22 LEU 578 2HD2 LEU 578 8.999 19.746 4.654 483 HD23 LEU 578 3HD2 LEU 578 10.348 20.906 4.635 484 H THR 579 H THR 579 9.459 20.686 8.408 485 HA THR 579 HA THR 579 10.767 19.993 10.953 486 HB THR 579 HB THR 579 8.619 20.628 11.989 487 HG1 THR 579 HG1 THR 579 7.125 19.978 10.479 488 HG21 THR 579 1HG2 THR 579 8.573 22.990 11.286 489 HG22 THR 579 2HG2 THR 579 10.247 22.404 11.438 490 HG23 THR 579 3HG2 THR 579 9.508 22.580 9.830 491 H GLU 580 H GLU 580 9.011 18.413 8.492 492 HA GLU 580 HA GLU 580 9.089 15.940 10.071 493 HB2 GLU 580 1HB GLU 580 6.858 16.894 10.635 494 HB3 GLU 580 2HB GLU 580 6.458 16.966 8.924 495 HG2 GLU 580 1HG GLU 580 6.583 14.536 8.759 496 HG3 GLU 580 2HG GLU 580 7.083 14.426 10.446 497 H GLY 581 H GLY 581 9.531 14.219 8.856 498 HA2 GLY 581 1HA GLY 581 9.607 12.876 6.915 499 HA3 GLY 581 2HA GLY 581 8.871 14.172 5.989 500 H PHE 582 H PHE 582 10.719 13.188 4.569 501 HA PHE 582 HA PHE 582 13.187 14.802 5.055 502 HB2 PHE 582 1HB PHE 582 13.120 12.049 3.765 503 HB3 PHE 582 2HB PHE 582 14.541 12.993 4.181 504 HD1 PHE 582 HD1 PHE 582 12.058 10.656 5.352 505 HD2 PHE 582 HD2 PHE 582 15.099 13.387 6.595 506 HE1 PHE 582 HE1 PHE 582 12.140 9.554 7.563 507 HE2 PHE 582 HE2 PHE 582 15.186 12.286 8.806 508 HZ PHE 582 HZ PHE 582 13.705 10.370 9.291 509 H VAL 583 H VAL 583 14.428 15.313 3.128 510 HA VAL 583 HA VAL 583 12.683 15.479 0.707 511 HB VAL 583 HB VAL 583 15.020 17.259 1.522 512 HG11 VAL 583 1HG1 VAL 583 14.343 18.656 -0.370 513 HG12 VAL 583 2HG1 VAL 583 14.847 17.030 -0.889 514 HG13 VAL 583 3HG1 VAL 583 13.118 17.449 -0.822 515 HG21 VAL 583 1HG2 VAL 583 13.272 18.980 1.845 516 HG22 VAL 583 2HG2 VAL 583 12.019 17.775 1.463 517 HG23 VAL 583 3HG2 VAL 583 13.015 17.591 2.926 518 H LEU 584 H LEU 584 13.226 14.221 -0.925 519 HA LEU 584 HA LEU 584 15.972 13.072 -0.944 520 HB2 LEU 584 1HB LEU 584 14.176 11.436 -0.840 521 HB3 LEU 584 2HB LEU 584 13.380 12.161 -2.240 522 HG LEU 584 HG LEU 584 15.341 11.484 -3.644 523 HD11 LEU 584 1HD1 LEU 584 16.930 9.863 -2.711 524 HD12 LEU 584 2HD1 LEU 584 17.019 11.430 -1.873 525 HD13 LEU 584 3HD1 LEU 584 16.185 10.056 -1.107 526 HD21 LEU 584 1HD2 LEU 584 14.741 9.086 -3.663 527 HD22 LEU 584 2HD2 LEU 584 13.964 9.268 -2.072 528 HD23 LEU 584 3HD2 LEU 584 13.293 10.107 -3.490 529 H ASP 585 H ASP 585 17.381 13.979 -2.255 530 HA ASP 585 HA ASP 585 16.427 15.319 -4.719 531 HB2 ASP 585 1HB ASP 585 18.034 16.549 -3.330 532 HB3 ASP 585 2HB ASP 585 19.171 15.210 -3.404 533 H THR 586 H THR 586 16.092 14.007 -6.381 534 HA THR 586 HA THR 586 17.686 11.530 -6.592 535 HB THR 586 HB THR 586 16.054 10.894 -8.350 536 HG1 THR 586 HG1 THR 586 15.096 13.533 -7.862 537 HG21 THR 586 1HG2 THR 586 14.059 10.772 -6.909 538 HG22 THR 586 2HG2 THR 586 15.536 10.415 -5.982 539 HG23 THR 586 3HG2 THR 586 14.755 12.006 -5.834 540 H MET 587 H MET 587 18.081 14.635 -7.585 541 HA MET 587 HA MET 587 19.268 13.956 -10.198 542 HB2 MET 587 1HB MET 587 19.143 16.541 -8.602 543 HB3 MET 587 2HB MET 587 19.952 16.394 -10.155 544 HG2 MET 587 1HG MET 587 17.004 15.870 -9.678 545 HG3 MET 587 2HG MET 587 17.686 17.364 -10.323 546 HE1 MET 587 1HE MET 587 16.684 13.571 -12.573 547 HE2 MET 587 2HE MET 587 17.324 13.474 -10.914 548 HE3 MET 587 3HE MET 587 15.828 14.382 -11.240 549 H ASN 588 H ASN 588 20.277 14.702 -6.892 550 HA ASN 588 HA ASN 588 23.082 14.082 -7.709 551 HB2 ASN 588 1HB ASN 588 21.992 15.590 -5.312 552 HB3 ASN 588 2HB ASN 588 23.678 15.124 -5.492 553 HD21 ASN 588 1HD2 ASN 588 22.221 18.390 -7.335 554 HD22 ASN 588 2HD2 ASN 588 21.278 17.400 -6.270 555 H ASP 589 H ASP 589 20.484 12.497 -6.678 556 HA ASP 589 HA ASP 589 20.142 10.551 -5.487 557 HB2 ASP 589 1HB ASP 589 23.075 10.246 -6.230 558 HB3 ASP 589 2HB ASP 589 22.139 8.965 -5.472 559 H SER 590 H SER 590 20.239 12.550 -3.759 560 HA SER 590 HA SER 590 21.714 11.389 -1.462 561 HB2 SER 590 1HB SER 590 23.197 13.123 -2.342 562 HB3 SER 590 2HB SER 590 21.886 14.294 -2.330 563 HG SER 590 HG SER 590 21.846 13.390 0.029 564 H LEU 591 H LEU 591 20.582 11.381 0.365 565 HA LEU 591 HA LEU 591 17.932 12.703 0.338 566 HB2 LEU 591 1HB LEU 591 18.071 10.316 0.955 567 HB3 LEU 591 2HB LEU 591 19.162 10.717 2.285 568 HG LEU 591 HG LEU 591 17.295 12.079 3.302 569 HD11 LEU 591 1HD1 LEU 591 15.020 11.664 2.477 570 HD12 LEU 591 2HD1 LEU 591 16.027 12.475 1.254 571 HD13 LEU 591 3HD1 LEU 591 15.685 10.734 1.114 572 HD21 LEU 591 1HD2 LEU 591 16.084 10.081 4.109 573 HD22 LEU 591 2HD2 LEU 591 16.763 9.126 2.769 574 HD23 LEU 591 3HD2 LEU 591 17.836 9.779 4.031 575 H SER 592 H SER 592 17.506 14.513 1.380 576 HA SER 592 HA SER 592 19.553 15.576 3.248 577 HB2 SER 592 1HB SER 592 18.873 17.089 1.488 578 HB3 SER 592 2HB SER 592 17.173 16.843 1.856 579 HG SER 592 HG SER 592 18.054 17.541 4.084 580 H LYS 593 H LYS 593 19.299 15.594 5.363 581 HA LYS 593 HA LYS 593 16.574 14.982 6.429 582 HB2 LYS 593 1HB LYS 593 19.300 14.327 7.619 583 HB3 LYS 593 2HB LYS 593 17.753 13.995 8.387 584 HG2 LYS 593 1HG LYS 593 17.166 12.515 6.452 585 HG3 LYS 593 2HG LYS 593 18.797 12.774 5.818 586 HD2 LYS 593 1HD LYS 593 19.759 11.845 7.897 587 HD3 LYS 593 2HD LYS 593 18.130 11.593 8.540 588 HE2 LYS 593 1HE LYS 593 17.628 10.057 6.669 589 HE3 LYS 593 2HE LYS 593 19.250 10.309 6.022 590 HZ1 LYS 593 1HZ LYS 593 19.117 8.307 7.312 591 HZ2 LYS 593 2HZ LYS 593 20.140 9.374 8.045 592 HZ3 LYS 593 3HZ LYS 593 18.624 9.137 8.649 Start of MODEL 2 1 H GLY 32 1H GLY 32 0.107 -0.896 -0.115 2 HA2 GLY 32 1HA GLY 32 2.099 -0.624 1.127 3 HA3 GLY 32 2HA GLY 32 2.421 -0.827 -0.585 4 H ILE 33 H ILE 33 3.914 0.531 -1.349 5 HA ILE 33 HA ILE 33 4.337 3.165 -0.130 6 HB ILE 33 HB ILE 33 5.577 1.914 -2.620 7 HG12 ILE 33 1HG1 ILE 33 6.076 0.614 -0.633 8 HG13 ILE 33 2HG1 ILE 33 7.506 1.462 -1.202 9 HG21 ILE 33 1HG2 ILE 33 7.289 3.663 -2.349 10 HG22 ILE 33 2HG2 ILE 33 5.682 4.378 -2.620 11 HG23 ILE 33 3HG2 ILE 33 6.378 4.349 -0.982 12 HD11 ILE 33 1HD1 ILE 33 7.348 1.538 1.223 13 HD12 ILE 33 2HD1 ILE 33 7.198 3.173 0.534 14 HD13 ILE 33 3HD1 ILE 33 5.751 2.314 1.113 15 H ARG 34 H ARG 34 3.524 5.043 -0.759 16 HA ARG 34 HA ARG 34 1.850 5.026 -3.234 17 HB2 ARG 34 1HB ARG 34 1.573 6.799 -0.784 18 HB3 ARG 34 2HB ARG 34 0.510 6.782 -2.183 19 HG2 ARG 34 1HG ARG 34 -0.229 4.525 -1.645 20 HG3 ARG 34 2HG ARG 34 0.907 4.463 -0.275 21 HD2 ARG 34 1HD ARG 34 -0.253 6.407 0.701 22 HD3 ARG 34 2HD ARG 34 -1.441 6.312 -0.619 23 HE ARG 34 HE ARG 34 -1.158 4.503 1.661 24 HH11 ARG 34 1HH1 ARG 34 -2.607 5.096 -1.484 25 HH12 ARG 34 2HH1 ARG 34 -3.907 3.952 -1.240 26 HH21 ARG 34 1HH2 ARG 34 -2.851 3.020 1.965 27 HH22 ARG 34 2HH2 ARG 34 -4.047 2.776 0.711 28 H VAL 35 H VAL 35 1.660 7.071 -4.387 29 HA VAL 35 HA VAL 35 3.714 9.104 -3.853 30 HB VAL 35 HB VAL 35 4.912 7.413 -5.240 31 HG11 VAL 35 1HG1 VAL 35 4.238 7.041 -7.562 32 HG12 VAL 35 2HG1 VAL 35 3.007 6.470 -6.411 33 HG13 VAL 35 3HG1 VAL 35 2.766 8.001 -7.289 34 HG21 VAL 35 1HG2 VAL 35 5.669 8.987 -6.992 35 HG22 VAL 35 2HG2 VAL 35 4.240 10.005 -6.693 36 HG23 VAL 35 3HG2 VAL 35 5.477 9.810 -5.427 37 H MET 36 H MET 36 3.090 11.087 -4.486 38 HA MET 36 HA MET 36 1.139 11.364 -6.680 39 HB2 MET 36 1HB MET 36 -0.385 12.765 -5.371 40 HB3 MET 36 2HB MET 36 -0.282 11.157 -4.671 41 HG2 MET 36 1HG MET 36 1.301 12.026 -2.964 42 HG3 MET 36 2HG MET 36 1.118 13.642 -3.648 43 HE1 MET 36 1HE MET 36 -0.868 13.898 -0.277 44 HE2 MET 36 2HE MET 36 0.620 12.968 -0.581 45 HE3 MET 36 3HE MET 36 0.427 14.594 -1.281 46 H ASP 37 H ASP 37 0.984 13.482 -7.540 47 HA ASP 37 HA ASP 37 3.480 14.930 -7.459 48 HB2 ASP 37 1HB ASP 37 0.778 15.567 -8.699 49 HB3 ASP 37 2HB ASP 37 2.184 16.607 -8.873 50 H HIS 38 H HIS 38 4.014 16.867 -6.555 51 HA HIS 38 HA HIS 38 2.583 17.810 -4.240 52 HB2 HIS 38 1HB HIS 38 5.086 18.121 -4.879 53 HB3 HIS 38 2HB HIS 38 4.526 19.480 -5.845 54 HD2 HIS 38 HD2 HIS 38 5.350 18.639 -2.181 55 HE1 HIS 38 HE1 HIS 38 3.561 22.507 -2.228 56 HE2 HIS 38 HE2 HIS 38 4.825 20.796 -0.823 57 HA PRO 39 HA PRO 39 -0.567 19.922 -6.192 58 HB2 PRO 39 1HB PRO 39 -1.524 21.399 -4.054 59 HB3 PRO 39 2HB PRO 39 -1.739 19.648 -4.192 60 HG2 PRO 39 1HG PRO 39 0.404 21.194 -2.671 61 HG3 PRO 39 2HG PRO 39 -0.594 19.855 -2.096 62 HD2 PRO 39 1HD PRO 39 1.924 19.402 -2.964 63 HD3 PRO 39 2HD PRO 39 0.598 18.231 -3.343 64 H THR 40 H THR 40 2.118 21.585 -4.787 65 HA THR 40 HA THR 40 1.251 24.158 -6.037 66 HB THR 40 HB THR 40 3.171 23.718 -3.710 67 HG1 THR 40 HG1 THR 40 0.469 24.561 -3.922 68 HG21 THR 40 1HG2 THR 40 3.162 26.176 -3.550 69 HG22 THR 40 2HG2 THR 40 3.800 25.644 -5.124 70 HG23 THR 40 3HG2 THR 40 2.140 26.272 -5.003 71 H MET 41 H MET 41 4.079 22.064 -5.397 72 HA MET 41 HA MET 41 5.693 23.818 -7.150 73 HB2 MET 41 1HB MET 41 6.494 21.508 -5.338 74 HB3 MET 41 2HB MET 41 7.614 22.507 -6.252 75 HG2 MET 41 1HG MET 41 5.751 23.538 -4.094 76 HG3 MET 41 2HG MET 41 7.453 23.132 -3.863 77 HE1 MET 41 1HE MET 41 7.172 27.113 -3.755 78 HE2 MET 41 2HE MET 41 5.880 25.978 -3.294 79 HE3 MET 41 3HE MET 41 7.563 25.658 -2.807 80 HA PRO 42 HA PRO 42 4.742 21.137 -10.473 81 HB2 PRO 42 1HB PRO 42 7.051 22.722 -11.674 82 HB3 PRO 42 2HB PRO 42 5.486 22.325 -12.393 83 HG2 PRO 42 1HG PRO 42 5.830 24.774 -11.422 84 HG3 PRO 42 2HG PRO 42 4.316 23.933 -11.078 85 HD2 PRO 42 1HD PRO 42 6.753 24.302 -9.295 86 HD3 PRO 42 2HD PRO 42 4.997 24.411 -8.866 87 H ASP 43 H ASP 43 7.865 21.606 -8.973 88 HA ASP 43 HA ASP 43 8.950 19.213 -10.396 89 HB2 ASP 43 1HB ASP 43 10.456 21.564 -9.181 90 HB3 ASP 43 2HB ASP 43 11.198 20.166 -9.948 91 H THR 44 H THR 44 7.290 19.257 -7.957 92 HA THR 44 HA THR 44 9.203 17.637 -6.351 93 HB THR 44 HB THR 44 7.110 19.522 -5.180 94 HG1 THR 44 HG1 THR 44 9.834 19.721 -5.691 95 HG21 THR 44 1HG2 THR 44 8.039 18.810 -3.012 96 HG22 THR 44 2HG2 THR 44 7.357 17.424 -3.897 97 HG23 THR 44 3HG2 THR 44 9.118 17.667 -3.844 98 H GLN 45 H GLN 45 8.477 15.701 -5.689 99 HA GLN 45 HA GLN 45 5.542 15.197 -5.935 100 HB2 GLN 45 1HB GLN 45 7.847 13.300 -6.528 101 HB3 GLN 45 2HB GLN 45 6.169 12.792 -6.398 102 HG2 GLN 45 1HG GLN 45 5.607 14.362 -8.260 103 HG3 GLN 45 2HG GLN 45 7.356 14.674 -8.443 104 HE21 GLN 45 1HE2 GLN 45 5.701 11.617 -10.356 105 HE22 GLN 45 2HE2 GLN 45 4.856 12.986 -9.715 106 H VAL 46 H VAL 46 4.710 13.498 -4.522 107 HA VAL 46 HA VAL 46 6.183 13.534 -1.921 108 HB VAL 46 HB VAL 46 3.175 13.544 -2.409 109 HG11 VAL 46 1HG1 VAL 46 2.984 13.802 0.017 110 HG12 VAL 46 2HG1 VAL 46 3.756 12.262 -0.432 111 HG13 VAL 46 3HG1 VAL 46 4.747 13.612 0.174 112 HG21 VAL 46 1HG2 VAL 46 3.283 15.807 -1.413 113 HG22 VAL 46 2HG2 VAL 46 5.054 15.674 -1.308 114 HG23 VAL 46 3HG2 VAL 46 4.257 15.711 -2.899 115 H VAL 47 H VAL 47 6.572 11.658 -0.934 116 HA VAL 47 HA VAL 47 5.214 9.227 -2.019 117 HB VAL 47 HB VAL 47 7.507 9.351 -2.907 118 HG11 VAL 47 1HG1 VAL 47 9.445 9.309 -1.414 119 HG12 VAL 47 2HG1 VAL 47 8.486 10.796 -1.220 120 HG13 VAL 47 3HG1 VAL 47 8.367 9.495 -0.011 121 HG21 VAL 47 1HG2 VAL 47 8.333 7.184 -2.046 122 HG22 VAL 47 2HG2 VAL 47 7.216 7.308 -0.666 123 HG23 VAL 47 3HG2 VAL 47 6.575 7.139 -2.318 124 H VAL 48 H VAL 48 4.567 7.712 -0.580 125 HA VAL 48 HA VAL 48 4.872 8.500 2.286 126 HB VAL 48 HB VAL 48 2.611 6.964 0.936 127 HG11 VAL 48 1HG1 VAL 48 1.453 7.205 3.077 128 HG12 VAL 48 2HG1 VAL 48 2.951 6.257 3.233 129 HG13 VAL 48 3HG1 VAL 48 2.908 7.950 3.779 130 HG21 VAL 48 1HG2 VAL 48 1.290 9.009 1.382 131 HG22 VAL 48 2HG2 VAL 48 2.746 9.805 2.026 132 HG23 VAL 48 3HG2 VAL 48 2.667 9.353 0.307 133 H ILE 49 H ILE 49 5.873 7.157 3.613 134 HA ILE 49 HA ILE 49 6.228 4.327 2.713 135 HB ILE 49 HB ILE 49 8.173 6.035 4.326 136 HG12 ILE 49 1HG1 ILE 49 9.521 5.349 2.102 137 HG13 ILE 49 2HG1 ILE 49 7.901 5.445 1.428 138 HG21 ILE 49 1HG2 ILE 49 9.691 4.114 4.065 139 HG22 ILE 49 2HG2 ILE 49 8.221 3.652 4.953 140 HG23 ILE 49 3HG2 ILE 49 8.402 3.205 3.241 141 HD11 ILE 49 1HD1 ILE 49 9.072 7.564 1.205 142 HD12 ILE 49 2HD1 ILE 49 7.668 7.736 2.286 143 HD13 ILE 49 3HD1 ILE 49 9.310 7.640 2.967 144 HA PRO 50 HA PRO 50 3.799 3.608 6.332 145 HB2 PRO 50 1HB PRO 50 4.687 0.781 5.642 146 HB3 PRO 50 2HB PRO 50 3.071 1.366 6.060 147 HG2 PRO 50 1HG PRO 50 3.614 0.897 3.498 148 HG3 PRO 50 2HG PRO 50 2.726 2.363 3.923 149 HD2 PRO 50 1HD PRO 50 5.679 2.034 3.260 150 HD3 PRO 50 2HD PRO 50 4.528 3.325 2.731 151 H LYS 51 H LYS 51 4.196 2.870 8.485 152 HA LYS 51 HA LYS 51 6.855 3.229 9.423 153 HB2 LYS 51 1HB LYS 51 4.492 1.883 10.795 154 HB3 LYS 51 2HB LYS 51 5.969 2.395 11.599 155 HG2 LYS 51 1HG LYS 51 4.156 4.309 10.109 156 HG3 LYS 51 2HG LYS 51 3.991 3.940 11.832 157 HD2 LYS 51 1HD LYS 51 6.377 4.660 12.158 158 HD3 LYS 51 2HD LYS 51 6.416 5.154 10.458 159 HE2 LYS 51 1HE LYS 51 4.539 6.719 10.879 160 HE3 LYS 51 2HE LYS 51 4.522 6.239 12.578 161 HZ1 LYS 51 1HZ LYS 51 5.752 8.255 12.244 162 HZ2 LYS 51 2HZ LYS 51 6.765 7.067 12.774 163 HZ3 LYS 51 3HZ LYS 51 6.780 7.518 11.188 164 H SER 52 H SER 52 8.513 1.922 9.851 165 HA SER 52 HA SER 52 9.635 -0.072 10.315 166 HB2 SER 52 1HB SER 52 8.518 -2.052 10.720 167 HB3 SER 52 2HB SER 52 7.242 -0.884 11.024 168 HG SER 52 HG SER 52 6.234 -1.494 9.327 169 H ALA 53 H ALA 53 8.042 0.828 7.467 170 HA ALA 53 HA ALA 53 9.081 -1.233 5.729 171 HB1 ALA 53 1HB ALA 53 8.434 0.308 3.906 172 HB2 ALA 53 2HB ALA 53 7.129 0.116 5.102 173 HB3 ALA 53 3HB ALA 53 8.131 1.586 5.106 174 H ASP 54 H ASP 54 10.715 -1.039 4.134 175 HA ASP 54 HA ASP 54 13.108 0.196 5.271 176 HB2 ASP 54 1HB ASP 54 13.184 -2.066 4.262 177 HB3 ASP 54 2HB ASP 54 12.712 -1.397 2.705 178 H LEU 55 H LEU 55 13.449 2.288 5.016 179 HA LEU 55 HA LEU 55 12.392 3.887 2.915 180 HB2 LEU 55 1HB LEU 55 14.726 4.268 4.808 181 HB3 LEU 55 2HB LEU 55 14.250 5.499 3.635 182 HG LEU 55 HG LEU 55 12.411 4.416 5.796 183 HD11 LEU 55 1HD1 LEU 55 12.876 6.522 6.966 184 HD12 LEU 55 2HD1 LEU 55 14.343 5.533 6.784 185 HD13 LEU 55 3HD1 LEU 55 14.085 6.943 5.730 186 HD21 LEU 55 1HD2 LEU 55 11.082 6.417 5.213 187 HD22 LEU 55 2HD2 LEU 55 12.265 6.836 3.952 188 HD23 LEU 55 3HD2 LEU 55 11.290 5.354 3.801 189 H GLN 56 H GLN 56 15.357 2.006 3.185 190 HA GLN 56 HA GLN 56 16.763 3.367 1.074 191 HB2 GLN 56 1HB GLN 56 17.151 0.613 2.311 192 HB3 GLN 56 2HB GLN 56 18.254 1.327 1.142 193 HG2 GLN 56 1HG GLN 56 17.588 2.452 3.871 194 HG3 GLN 56 2HG GLN 56 19.084 1.594 3.403 195 HE21 GLN 56 1HE2 GLN 56 19.038 5.512 3.157 196 HE22 GLN 56 2HE2 GLN 56 18.093 4.516 4.213 197 H SER 57 H SER 57 14.739 0.450 1.189 198 HA SER 57 HA SER 57 15.040 -0.266 -1.559 199 HB2 SER 57 1HB SER 57 12.764 -0.675 0.406 200 HB3 SER 57 2HB SER 57 12.784 -1.368 -1.208 201 HG SER 57 HG SER 57 14.547 -1.805 0.927 202 H VAL 58 H VAL 58 12.761 1.903 0.110 203 HA VAL 58 HA VAL 58 11.214 2.545 -2.211 204 HB VAL 58 HB VAL 58 11.733 4.132 0.340 205 HG11 VAL 58 1HG1 VAL 58 9.723 5.399 -0.239 206 HG12 VAL 58 2HG1 VAL 58 11.017 5.616 -1.442 207 HG13 VAL 58 3HG1 VAL 58 9.638 4.549 -1.800 208 HG21 VAL 58 1HG2 VAL 58 9.512 3.256 0.991 209 HG22 VAL 58 2HG2 VAL 58 9.429 2.339 -0.531 210 HG23 VAL 58 3HG2 VAL 58 10.661 1.932 0.687 211 H ILE 59 H ILE 59 13.951 4.224 -0.624 212 HA ILE 59 HA ILE 59 14.025 6.452 -2.363 213 HB ILE 59 HB ILE 59 16.205 5.094 -0.736 214 HG12 ILE 59 1HG1 ILE 59 14.848 7.753 -0.286 215 HG13 ILE 59 2HG1 ILE 59 14.225 6.248 0.371 216 HG21 ILE 59 1HG2 ILE 59 17.564 7.108 -1.129 217 HG22 ILE 59 2HG2 ILE 59 17.241 6.249 -2.653 218 HG23 ILE 59 3HG2 ILE 59 16.331 7.726 -2.254 219 HD11 ILE 59 1HD1 ILE 59 15.567 7.433 2.014 220 HD12 ILE 59 2HD1 ILE 59 16.333 5.887 1.579 221 HD13 ILE 59 3HD1 ILE 59 16.965 7.412 0.915 222 H SER 60 H SER 60 15.692 3.311 -2.578 223 HA SER 60 HA SER 60 17.271 3.827 -4.845 224 HB2 SER 60 1HB SER 60 15.862 1.268 -4.018 225 HB3 SER 60 2HB SER 60 17.110 1.361 -5.250 226 HG SER 60 HG SER 60 17.274 1.851 -2.504 227 H VAL 61 H VAL 61 13.929 2.561 -4.698 228 HA VAL 61 HA VAL 61 13.539 2.392 -7.511 229 HB VAL 61 HB VAL 61 11.568 2.842 -5.235 230 HG11 VAL 61 1HG1 VAL 61 9.813 2.186 -6.806 231 HG12 VAL 61 2HG1 VAL 61 10.611 3.700 -7.292 232 HG13 VAL 61 3HG1 VAL 61 11.002 2.179 -8.130 233 HG21 VAL 61 1HG2 VAL 61 11.091 0.441 -5.590 234 HG22 VAL 61 2HG2 VAL 61 12.324 0.387 -6.873 235 HG23 VAL 61 3HG2 VAL 61 12.805 0.703 -5.188 236 H LEU 62 H LEU 62 13.013 5.045 -5.200 237 HA LEU 62 HA LEU 62 11.615 6.764 -6.990 238 HB2 LEU 62 1HB LEU 62 13.331 7.356 -4.554 239 HB3 LEU 62 2HB LEU 62 12.381 8.580 -5.401 240 HG LEU 62 HG LEU 62 11.224 6.116 -4.049 241 HD11 LEU 62 1HD1 LEU 62 10.452 7.702 -2.342 242 HD12 LEU 62 2HD1 LEU 62 12.227 7.656 -2.440 243 HD13 LEU 62 3HD1 LEU 62 11.331 9.014 -3.161 244 HD21 LEU 62 1HD2 LEU 62 9.081 7.295 -4.404 245 HD22 LEU 62 2HD2 LEU 62 9.940 8.602 -5.255 246 HD23 LEU 62 3HD2 LEU 62 9.894 6.967 -5.952 247 H THR 63 H THR 63 15.069 6.331 -6.314 248 HA THR 63 HA THR 63 15.910 8.609 -7.874 249 HB THR 63 HB THR 63 18.183 7.546 -7.738 250 HG1 THR 63 HG1 THR 63 16.601 5.397 -6.954 251 HG21 THR 63 1HG2 THR 63 18.380 7.693 -5.286 252 HG22 THR 63 2HG2 THR 63 17.354 9.001 -5.921 253 HG23 THR 63 3HG2 THR 63 16.611 7.590 -5.134 254 H ALA 64 H ALA 64 15.380 5.187 -8.569 255 HA ALA 64 HA ALA 64 16.534 5.196 -11.182 256 HB1 ALA 64 1HB ALA 64 15.173 3.163 -11.551 257 HB2 ALA 64 2HB ALA 64 16.007 3.121 -9.979 258 HB3 ALA 64 3HB ALA 64 14.273 3.505 -10.058 259 H LYS 65 H LYS 65 13.086 5.400 -10.216 260 HA LYS 65 HA LYS 65 12.270 6.093 -12.909 261 HB2 LYS 65 1HB LYS 65 10.830 6.139 -10.233 262 HB3 LYS 65 2HB LYS 65 10.055 6.603 -11.740 263 HG2 LYS 65 1HG LYS 65 11.277 3.884 -11.175 264 HG3 LYS 65 2HG LYS 65 9.555 4.282 -11.087 265 HD2 LYS 65 1HD LYS 65 9.521 4.834 -13.470 266 HD3 LYS 65 2HD LYS 65 11.268 4.571 -13.584 267 HE2 LYS 65 1HE LYS 65 10.948 2.199 -12.952 268 HE3 LYS 65 2HE LYS 65 9.204 2.460 -12.849 269 HZ1 LYS 65 1HZ LYS 65 9.832 1.514 -14.946 270 HZ2 LYS 65 2HZ LYS 65 9.211 3.024 -15.181 271 HZ3 LYS 65 3HZ LYS 65 10.839 2.779 -15.278 272 H GLY 66 H GLY 66 13.281 7.874 -10.091 273 HA2 GLY 66 1HA GLY 66 12.139 10.412 -10.663 274 HA3 GLY 66 2HA GLY 66 13.613 10.143 -9.752 275 H LYS 67 H LYS 67 14.815 8.671 -12.104 276 HA LYS 67 HA LYS 67 15.729 11.124 -13.509 277 HB2 LYS 67 1HB LYS 67 16.964 8.355 -13.256 278 HB3 LYS 67 2HB LYS 67 17.639 9.644 -14.242 279 HG2 LYS 67 1HG LYS 67 17.955 11.039 -12.247 280 HG3 LYS 67 2HG LYS 67 17.231 9.775 -11.240 281 HD2 LYS 67 1HD LYS 67 19.032 8.205 -11.973 282 HD3 LYS 67 2HD LYS 67 19.774 9.526 -12.888 283 HE2 LYS 67 1HE LYS 67 20.063 10.821 -10.814 284 HE3 LYS 67 2HE LYS 67 19.281 9.538 -9.887 285 HZ1 LYS 67 1HZ LYS 67 21.658 9.394 -9.760 286 HZ2 LYS 67 2HZ LYS 67 21.062 8.065 -10.534 287 HZ3 LYS 67 3HZ LYS 67 21.793 9.264 -11.398 288 H GLU 68 H GLU 68 14.202 8.010 -14.030 289 HA GLU 68 HA GLU 68 14.616 7.716 -16.799 290 HB2 GLU 68 1HB GLU 68 13.590 5.985 -15.343 291 HB3 GLU 68 2HB GLU 68 12.147 6.974 -15.175 292 HG2 GLU 68 1HG GLU 68 11.735 6.792 -17.595 293 HG3 GLU 68 2HG GLU 68 13.181 5.798 -17.763 294 H ALA 69 H ALA 69 11.973 9.415 -15.095 295 HA ALA 69 HA ALA 69 11.284 10.683 -17.708 296 HB1 ALA 69 1HB ALA 69 9.019 11.025 -16.773 297 HB2 ALA 69 2HB ALA 69 9.464 9.301 -16.812 298 HB3 ALA 69 3HB ALA 69 9.523 10.199 -15.278 299 H GLY 70 H GLY 70 10.342 11.610 -14.413 300 HA2 GLY 70 1HA GLY 70 11.146 13.364 -13.072 301 HA3 GLY 70 2HA GLY 70 12.334 13.753 -14.301 302 HA PRO 71 HA PRO 71 8.749 16.701 -14.723 303 HB2 PRO 71 1HB PRO 71 9.263 18.723 -13.016 304 HB3 PRO 71 2HB PRO 71 8.474 17.252 -12.433 305 HG2 PRO 71 1HG PRO 71 11.403 18.061 -12.228 306 HG3 PRO 71 2HG PRO 71 10.358 17.398 -10.969 307 HD2 PRO 71 1HD PRO 71 12.086 15.855 -12.511 308 HD3 PRO 71 2HD PRO 71 10.587 15.210 -11.730 309 H GLN 72 H GLN 72 9.315 19.392 -14.851 310 HA GLN 72 HA GLN 72 11.269 19.562 -16.975 311 HB2 GLN 72 1HB GLN 72 9.732 21.691 -15.440 312 HB3 GLN 72 2HB GLN 72 10.803 22.048 -16.788 313 HG2 GLN 72 1HG GLN 72 9.420 20.707 -18.283 314 HG3 GLN 72 2HG GLN 72 8.350 20.281 -16.919 315 HE21 GLN 72 1HE2 GLN 72 7.043 23.189 -18.991 316 HE22 GLN 72 2HE2 GLN 72 7.701 21.650 -19.437 317 H GLY 73 H GLY 73 11.201 20.536 -13.558 318 HA2 GLY 73 1HA GLY 73 14.017 21.475 -13.771 319 HA3 GLY 73 2HA GLY 73 12.934 21.761 -12.424 320 H ARG 74 H ARG 74 14.579 21.008 -10.988 321 HA ARG 74 HA ARG 74 15.623 18.308 -11.220 322 HB2 ARG 74 1HB ARG 74 15.685 20.333 -8.961 323 HB3 ARG 74 2HB ARG 74 16.488 18.772 -8.894 324 HG2 ARG 74 1HG ARG 74 17.879 19.403 -10.829 325 HG3 ARG 74 2HG ARG 74 17.073 20.990 -10.873 326 HD2 ARG 74 1HD ARG 74 17.848 21.426 -8.599 327 HD3 ARG 74 2HD ARG 74 18.693 19.861 -8.603 328 HE ARG 74 HE ARG 74 19.547 21.287 -10.862 329 HH11 ARG 74 1HH1 ARG 74 19.700 21.550 -7.363 330 HH12 ARG 74 2HH1 ARG 74 21.220 22.415 -7.369 331 HH21 ARG 74 1HH2 ARG 74 21.521 22.409 -10.858 332 HH22 ARG 74 2HH2 ARG 74 22.252 22.901 -9.347 333 H ASN 75 H ASN 75 15.037 16.471 -10.175 334 HA ASN 75 HA ASN 75 12.234 16.508 -9.230 335 HB2 ASN 75 1HB ASN 75 13.087 14.939 -11.050 336 HB3 ASN 75 2HB ASN 75 13.976 14.093 -9.790 337 HD21 ASN 75 1HD2 ASN 75 10.816 12.305 -10.215 338 HD22 ASN 75 2HD2 ASN 75 12.241 12.636 -11.141 339 H LYS 76 H LYS 76 11.973 16.919 -7.162 340 HA LYS 76 HA LYS 76 13.639 15.334 -5.250 341 HB2 LYS 76 1HB LYS 76 12.418 18.101 -4.897 342 HB3 LYS 76 2HB LYS 76 13.150 17.172 -3.597 343 HG2 LYS 76 1HG LYS 76 15.307 17.180 -4.830 344 HG3 LYS 76 2HG LYS 76 14.557 18.181 -6.083 345 HD2 LYS 76 1HD LYS 76 14.096 19.943 -4.438 346 HD3 LYS 76 2HD LYS 76 14.765 18.936 -3.145 347 HE2 LYS 76 1HE LYS 76 16.965 18.947 -4.277 348 HE3 LYS 76 2HE LYS 76 16.299 19.955 -5.564 349 HZ1 LYS 76 1HZ LYS 76 17.460 21.256 -3.936 350 HZ2 LYS 76 2HZ LYS 76 15.859 21.654 -3.927 351 HZ3 LYS 76 3HZ LYS 76 16.482 20.711 -2.725 352 H PHE 77 H PHE 77 12.659 14.295 -3.573 353 HA PHE 77 HA PHE 77 9.682 14.126 -3.803 354 HB2 PHE 77 1HB PHE 77 11.761 12.018 -3.125 355 HB3 PHE 77 2HB PHE 77 10.054 11.798 -2.772 356 HD1 PHE 77 HD1 PHE 77 12.534 12.219 -5.471 357 HD2 PHE 77 HD2 PHE 77 8.481 11.292 -4.492 358 HE1 PHE 77 HE1 PHE 77 12.169 11.398 -7.775 359 HE2 PHE 77 HE2 PHE 77 8.111 10.469 -6.794 360 HZ PHE 77 HZ PHE 77 9.954 10.523 -8.436 361 H ILE 78 H ILE 78 8.430 14.050 -1.964 362 HA ILE 78 HA ILE 78 9.833 14.760 0.564 363 HB ILE 78 HB ILE 78 6.870 14.979 -0.115 364 HG12 ILE 78 1HG1 ILE 78 8.137 16.488 -1.510 365 HG13 ILE 78 2HG1 ILE 78 7.271 17.389 -0.275 366 HG21 ILE 78 1HG2 ILE 78 6.775 16.359 1.921 367 HG22 ILE 78 2HG2 ILE 78 7.331 14.710 2.292 368 HG23 ILE 78 3HG2 ILE 78 8.502 16.049 2.217 369 HD11 ILE 78 1HD1 ILE 78 9.516 18.267 -0.587 370 HD12 ILE 78 2HD1 ILE 78 9.332 17.586 1.047 371 HD13 ILE 78 3HD1 ILE 78 10.211 16.674 -0.205 372 H LEU 79 H LEU 79 10.184 13.211 1.982 373 HA LEU 79 HA LEU 79 8.761 10.644 1.566 374 HB2 LEU 79 1HB LEU 79 11.370 11.441 2.859 375 HB3 LEU 79 2HB LEU 79 10.629 9.880 3.226 376 HG LEU 79 HG LEU 79 10.682 9.355 0.762 377 HD11 LEU 79 1HD1 LEU 79 12.134 10.731 -0.660 378 HD12 LEU 79 2HD1 LEU 79 10.734 11.653 -0.063 379 HD13 LEU 79 3HD1 LEU 79 12.336 11.893 0.673 380 HD21 LEU 79 1HD2 LEU 79 13.112 8.901 0.752 381 HD22 LEU 79 2HD2 LEU 79 13.330 10.037 2.105 382 HD23 LEU 79 3HD2 LEU 79 12.399 8.537 2.342 383 H LEU 80 H LEU 80 7.014 10.315 2.747 384 HA LEU 80 HA LEU 80 6.883 11.574 5.444 385 HB2 LEU 80 1HB LEU 80 4.639 10.478 3.712 386 HB3 LEU 80 2HB LEU 80 4.453 11.336 5.246 387 HG LEU 80 HG LEU 80 5.554 12.534 2.678 388 HD11 LEU 80 1HD1 LEU 80 3.433 13.770 2.649 389 HD12 LEU 80 2HD1 LEU 80 3.171 12.014 2.542 390 HD13 LEU 80 3HD1 LEU 80 2.885 12.866 4.079 391 HD21 LEU 80 1HD2 LEU 80 5.400 14.658 3.932 392 HD22 LEU 80 2HD2 LEU 80 4.879 13.766 5.382 393 HD23 LEU 80 3HD2 LEU 80 6.516 13.525 4.729 394 H SER 81 H SER 81 6.504 10.425 7.261 395 HA SER 81 HA SER 81 6.816 7.483 6.963 396 HB2 SER 81 1HB SER 81 8.485 8.590 8.345 397 HB3 SER 81 2HB SER 81 7.234 9.345 9.322 398 HG SER 81 HG SER 81 7.380 6.569 8.991 399 H GLY 82 H GLY 82 5.040 6.314 7.012 400 HA2 GLY 82 1HA GLY 82 3.243 5.629 8.722 401 HA3 GLY 82 2HA GLY 82 2.730 7.304 8.642 402 H ASP 83 H ASP 83 0.738 5.828 8.062 403 HA ASP 83 HA ASP 83 0.348 6.233 5.184 404 HB2 ASP 83 1HB ASP 83 1.265 3.805 5.662 405 HB3 ASP 83 2HB ASP 83 -0.367 3.498 6.241 406 H THR 84 H THR 84 -1.958 5.650 4.559 407 HA THR 84 HA THR 84 -3.798 6.017 6.880 408 HB THR 84 HB THR 84 -3.966 7.513 4.229 409 HG1 THR 84 HG1 THR 84 -2.928 8.108 6.737 410 HG21 THR 84 1HG2 THR 84 -5.890 8.649 5.268 411 HG22 THR 84 2HG2 THR 84 -6.182 6.898 5.133 412 HG23 THR 84 3HG2 THR 84 -5.734 7.608 6.702 413 H SER 85 H SER 85 -5.404 4.626 6.952 414 HA SER 85 HA SER 85 -5.752 2.770 4.694 415 HB2 SER 85 1HB SER 85 -5.639 1.827 6.924 416 HB3 SER 85 2HB SER 85 -6.934 2.871 7.485 417 HG SER 85 HG SER 85 -7.873 1.010 7.022 418 H ALA 569 1H ALA 569 2.286 21.928 9.807 419 HA ALA 569 HA ALA 569 3.353 23.522 8.430 420 HB1 ALA 569 1HB ALA 569 5.625 22.554 8.570 421 HB2 ALA 569 2HB ALA 569 4.688 22.254 10.053 422 HB3 ALA 569 3HB ALA 569 4.915 20.949 8.865 423 H GLN 570 H GLN 570 4.423 24.057 6.519 424 HA GLN 570 HA GLN 570 2.992 22.848 4.302 425 HB2 GLN 570 1HB GLN 570 3.309 25.285 4.437 426 HB3 GLN 570 2HB GLN 570 5.054 25.087 4.381 427 HG2 GLN 570 1HG GLN 570 4.302 25.769 2.226 428 HG3 GLN 570 2HG GLN 570 4.809 24.059 2.114 429 HE21 GLN 570 1HE2 GLN 570 1.790 23.002 0.802 430 HE22 GLN 570 2HE2 GLN 570 3.491 22.763 1.031 431 H ALA 571 H ALA 571 3.645 20.909 3.632 432 HA ALA 571 HA ALA 571 6.424 20.142 3.502 433 HB1 ALA 571 1HB ALA 571 5.576 18.163 2.283 434 HB2 ALA 571 2HB ALA 571 4.636 18.479 3.761 435 HB3 ALA 571 3HB ALA 571 3.974 18.928 2.172 436 H GLY 572 H GLY 572 7.732 19.776 1.697 437 HA2 GLY 572 1HA GLY 572 7.485 19.771 -0.910 438 HA3 GLY 572 2HA GLY 572 7.027 21.448 -0.677 439 H ALA 573 H ALA 573 9.386 20.106 -2.013 440 HA ALA 573 HA ALA 573 11.701 20.339 -0.382 441 HB1 ALA 573 1HB ALA 573 12.958 20.253 -2.509 442 HB2 ALA 573 2HB ALA 573 11.666 19.030 -2.457 443 HB3 ALA 573 3HB ALA 573 11.444 20.518 -3.405 444 H ALA 574 H ALA 574 9.937 22.690 -2.295 445 HA ALA 574 HA ALA 574 12.110 24.667 -1.955 446 HB1 ALA 574 1HB ALA 574 10.730 26.091 -3.436 447 HB2 ALA 574 2HB ALA 574 11.055 24.502 -4.166 448 HB3 ALA 574 3HB ALA 574 9.464 24.841 -3.445 449 H ASN 575 H ASN 575 9.816 23.543 -0.005 450 HA ASN 575 HA ASN 575 8.905 26.234 0.914 451 HB2 ASN 575 1HB ASN 575 7.677 23.480 1.210 452 HB3 ASN 575 2HB ASN 575 7.133 24.870 2.139 453 HD21 ASN 575 1HD2 ASN 575 5.290 24.314 -1.167 454 HD22 ASN 575 2HD2 ASN 575 5.876 23.175 0.001 455 H ARG 576 H ARG 576 8.149 25.873 3.410 456 HA ARG 576 HA ARG 576 10.488 25.965 4.948 457 HB2 ARG 576 1HB ARG 576 8.306 26.786 5.734 458 HB3 ARG 576 2HB ARG 576 7.696 25.142 5.821 459 HG2 ARG 576 1HG ARG 576 9.302 24.612 7.590 460 HG3 ARG 576 2HG ARG 576 9.969 26.259 7.483 461 HD2 ARG 576 1HD ARG 576 7.863 27.194 8.148 462 HD3 ARG 576 2HD ARG 576 7.115 25.580 8.153 463 HE ARG 576 HE ARG 576 9.359 25.525 9.860 464 HH11 ARG 576 1HH1 ARG 576 6.179 27.005 9.666 465 HH12 ARG 576 2HH1 ARG 576 5.981 27.104 11.401 466 HH21 ARG 576 1HH2 ARG 576 9.091 25.658 12.110 467 HH22 ARG 576 2HH2 ARG 576 7.629 26.343 12.786 468 H SER 577 H SER 577 11.865 24.534 5.747 469 HA SER 577 HA SER 577 11.774 21.773 5.123 470 HB2 SER 577 1HB ER 577 13.844 22.917 5.716 471 HB3 SER 577 2HB SER 577 13.243 23.243 7.335 472 HG SER 577 HG SER 577 12.961 20.860 7.393 473 H LEU 578 H LEU 578 10.958 20.010 6.064 474 HA LEU 578 HA LEU 578 9.024 20.421 8.231 475 HB2 LEU 578 1HB LEU 578 9.827 17.929 6.688 476 HB3 LEU 578 2HB LEU 578 8.510 18.013 7.862 477 HG LEU 578 HG LEU 578 8.636 19.533 5.233 478 HD11 LEU 578 1HD1 LEU 578 6.837 18.003 4.562 479 HD12 LEU 578 2HD1 LEU 578 8.339 17.127 4.938 480 HD13 LEU 578 3HD1 LEU 578 6.997 17.137 6.107 481 HD21 LEU 578 1HD2 LEU 578 6.301 20.132 5.781 482 HD22 LEU 578 2HD2 LEU 578 6.453 19.295 7.344 483 HD23 LEU 578 3HD2 LEU 578 7.427 20.749 7.015 484 H THR 579 H THR 579 9.065 19.510 10.264 485 HA THR 579 HA THR 579 11.672 18.521 11.224 486 HB THR 579 HB THR 579 10.587 18.479 13.451 487 HG1 THR 579 HG1 THR 579 8.481 17.990 13.036 488 HG21 THR 579 1HG2 THR 579 10.152 20.894 13.657 489 HG22 THR 579 2HG2 THR 579 11.574 20.590 12.632 490 HG23 THR 579 3HG2 THR 579 10.018 21.026 11.888 491 H GLU 580 H GLU 580 8.748 17.260 9.967 492 HA GLU 580 HA GLU 580 9.654 14.533 10.782 493 HB2 GLU 580 1HB GLU 580 6.791 15.551 10.577 494 HB3 GLU 580 2HB GLU 580 7.229 13.858 10.761 495 HG2 GLU 580 1HG GLU 580 8.305 14.375 12.919 496 HG3 GLU 580 2HG GLU 580 7.846 16.067 12.735 497 H GLY 581 H GLY 581 10.373 13.495 9.073 498 HA2 GLY 581 1HA GLY 581 9.822 12.463 6.898 499 HA3 GLY 581 2HA GLY 581 8.999 13.946 6.450 500 H PHE 582 H PHE 582 11.002 12.758 4.876 501 HA PHE 582 HA PHE 582 13.291 14.648 5.235 502 HB2 PHE 582 1HB PHE 582 13.355 11.913 3.903 503 HB3 PHE 582 2HB PHE 582 14.725 12.980 4.170 504 HD1 PHE 582 HD1 PHE 582 13.178 10.129 5.324 505 HD2 PHE 582 HD2 PHE 582 14.900 13.757 6.780 506 HE1 PHE 582 HE1 PHE 582 13.582 9.056 7.515 507 HE2 PHE 582 HE2 PHE 582 15.308 12.687 8.971 508 HZ PHE 582 HZ PHE 582 14.647 10.336 9.338 509 H VAL 583 H VAL 583 14.453 15.168 3.195 510 HA VAL 583 HA VAL 583 12.583 15.186 0.861 511 HB VAL 583 HB VAL 583 14.724 17.237 1.570 512 HG11 VAL 583 1HG1 VAL 583 13.817 18.518 -0.306 513 HG12 VAL 583 2HG1 VAL 583 14.485 16.954 -0.829 514 HG13 VAL 583 3HG1 VAL 583 12.723 17.171 -0.697 515 HG21 VAL 583 1HG2 VAL 583 12.802 18.749 1.946 516 HG22 VAL 583 2HG2 VAL 583 11.683 17.402 1.628 517 HG23 VAL 583 3HG2 VAL 583 12.751 17.355 3.051 518 H LEU 584 H LEU 584 13.224 14.009 -0.798 519 HA LEU 584 HA LEU 584 16.056 13.101 -0.830 520 HB2 LEU 584 1HB LEU 584 14.428 11.311 -0.715 521 HB3 LEU 584 2HB LEU 584 13.531 11.972 -2.086 522 HG LEU 584 HG LEU 584 15.561 11.502 -3.525 523 HD11 LEU 584 1HD1 LEU 584 17.213 9.919 -2.638 524 HD12 LEU 584 2HD1 LEU 584 17.221 11.451 -1.736 525 HD13 LEU 584 3HD1 LEU 584 16.443 10.010 -1.037 526 HD21 LEU 584 1HD2 LEU 584 15.074 9.082 -3.649 527 HD22 LEU 584 2HD2 LEU 584 14.272 9.160 -2.063 528 HD23 LEU 584 3HD2 LEU 584 13.577 10.027 -3.453 529 H ASP 585 H ASP 585 17.407 13.993 -2.209 530 HA ASP 585 HA ASP 585 16.346 15.245 -4.679 531 HB2 ASP 585 1HB ASP 585 17.970 16.533 -3.331 532 HB3 ASP 585 2HB ASP 585 19.148 15.236 -3.485 533 H THR 586 H THR 586 15.984 13.851 -6.271 534 HA THR 586 HA THR 586 17.609 11.406 -6.455 535 HB THR 586 HB THR 586 16.004 10.775 -8.265 536 HG1 THR 586 HG1 THR 586 15.095 13.417 -7.763 537 HG21 THR 586 1HG2 THR 586 14.014 10.595 -6.826 538 HG22 THR 586 2HG2 THR 586 15.496 10.236 -5.909 539 HG23 THR 586 3HG2 THR 586 14.695 11.814 -5.724 540 H MET 587 H MET 587 17.955 14.508 -7.538 541 HA MET 587 HA MET 587 19.173 13.764 -10.122 542 HB2 MET 587 1HB MET 587 18.913 16.426 -8.676 543 HB3 MET 587 2HB MET 587 19.694 16.226 -10.239 544 HG2 MET 587 1HG MET 587 16.791 15.573 -9.655 545 HG3 MET 587 2HG MET 587 17.374 17.059 -10.407 546 HE1 MET 587 1HE MET 587 16.590 13.060 -12.387 547 HE2 MET 587 2HE MET 587 17.293 13.119 -10.751 548 HE3 MET 587 3HE MET 587 15.715 13.878 -11.070 549 H ASN 588 H ASN 588 20.134 14.812 -6.879 550 HA ASN 588 HA ASN 588 22.969 14.282 -7.653 551 HB2 ASN 588 1HB ASN 588 21.795 15.907 -5.376 552 HB3 ASN 588 2HB ASN 588 23.504 15.525 -5.527 553 HD21 ASN 588 1HD2 ASN 588 21.862 18.551 -7.606 554 HD22 ASN 588 2HD2 ASN 588 20.981 17.598 -6.461 555 H ASP 589 H ASP 589 20.476 12.619 -6.516 556 HA ASP 589 HA ASP 589 20.264 10.731 -5.207 557 HB2 ASP 589 1HB ASP 589 23.209 10.558 -5.957 558 HB3 ASP 589 2HB ASP 589 22.334 9.260 -5.158 559 H SER 590 H SER 590 20.253 12.807 -3.579 560 HA SER 590 HA SER 590 21.846 11.862 -1.261 561 HB2 SER 590 1HB SER 590 23.149 13.692 -2.238 562 HB3 SER 590 2HB SER 590 21.735 14.736 -2.234 563 HG SER 590 HG SER 590 21.834 13.903 0.156 564 H LEU 591 H LEU 591 20.659 11.674 0.501 565 HA LEU 591 HA LEU 591 17.932 12.816 0.478 566 HB2 LEU 591 1HB LEU 591 18.258 10.423 1.027 567 HB3 LEU 591 2HB LEU 591 19.265 10.879 2.404 568 HG LEU 591 HG LEU 591 17.261 12.048 3.390 569 HD11 LEU 591 1HD1 LEU 591 15.057 11.493 2.465 570 HD12 LEU 591 2HD1 LEU 591 16.040 12.419 1.307 571 HD13 LEU 591 3HD1 LEU 591 15.839 10.663 1.099 572 HD21 LEU 591 1HD2 LEU 591 16.177 9.937 4.085 573 HD22 LEU 591 2HD2 LEU 591 16.976 9.084 2.741 574 HD23 LEU 591 3HD2 LEU 591 17.950 9.770 4.064 575 H SER 592 H SER 592 17.476 14.657 1.431 576 HA SER 592 HA SER 592 19.414 15.827 3.322 577 HB2 SER 592 1HB SER 592 18.546 17.282 1.598 578 HB3 SER 592 2HB SER 592 16.887 16.886 2.020 579 HG SER 592 HG SER 592 17.838 17.646 4.226 580 H LYS 593 H LYS 593 19.235 15.790 5.444 581 HA LYS 593 HA LYS 593 16.587 15.004 6.595 582 HB2 LYS 593 1HB LYS 593 19.383 14.394 7.642 583 HB3 LYS 593 2HB LYS 593 17.884 13.987 8.465 584 HG2 LYS 593 1HG LYS 593 17.252 12.548 6.522 585 HG3 LYS 593 2HG LYS 593 18.829 12.897 5.800 586 HD2 LYS 593 1HD LYS 593 19.952 11.941 7.790 587 HD3 LYS 593 2HD LYS 593 18.372 11.588 8.507 588 HE2 LYS 593 1HE LYS 593 17.838 10.102 6.605 589 HE3 LYS 593 2HE LYS 593 19.408 10.458 5.880 590 HZ1 LYS 593 1HZ LYS 593 19.439 8.402 7.090 591 HZ2 LYS 593 2HZ LYS 593 20.453 9.487 7.810 592 HZ3 LYS 593 3HZ LYS 593 18.985 9.153 8.486 Start of MODEL 3 1 H GLY 32 1H GLY 32 1.866 -2.626 -0.341 2 HA2 GLY 32 1HA GLY 32 3.894 -1.491 0.083 3 HA3 GLY 32 2HA GLY 32 3.295 -1.173 -1.534 4 H ILE 33 H ILE 33 3.954 0.868 -1.943 5 HA ILE 33 HA ILE 33 3.483 2.924 0.173 6 HB ILE 33 HB ILE 33 5.298 4.224 -0.902 7 HG12 ILE 33 1HG1 ILE 33 5.701 1.826 -2.704 8 HG13 ILE 33 2HG1 ILE 33 4.893 3.306 -3.198 9 HG21 ILE 33 1HG2 ILE 33 7.171 2.753 -0.276 10 HG22 ILE 33 2HG2 ILE 33 5.853 2.654 0.916 11 HG23 ILE 33 3HG2 ILE 33 6.076 1.351 -0.276 12 HD11 ILE 33 1HD1 ILE 33 7.213 3.290 -3.922 13 HD12 ILE 33 2HD1 ILE 33 6.935 4.590 -2.739 14 HD13 ILE 33 3HD1 ILE 33 7.755 3.092 -2.239 15 H ARG 34 H ARG 34 3.247 5.187 -0.743 16 HA ARG 34 HA ARG 34 1.627 5.133 -3.250 17 HB2 ARG 34 1HB ARG 34 0.926 6.537 -0.650 18 HB3 ARG 34 2HB ARG 34 0.112 6.826 -2.180 19 HG2 ARG 34 1HG ARG 34 0.248 4.091 -0.903 20 HG3 ARG 34 2HG ARG 34 -1.047 5.268 -0.572 21 HD2 ARG 34 1HD ARG 34 -1.573 5.333 -2.952 22 HD3 ARG 34 2HD ARG 34 -0.304 4.123 -3.255 23 HE ARG 34 HE ARG 34 -2.898 3.693 -1.934 24 HH11 ARG 34 1HH1 ARG 34 0.201 2.401 -2.965 25 HH12 ARG 34 2HH1 ARG 34 -0.309 0.733 -2.833 26 HH21 ARG 34 1HH2 ARG 34 -3.550 1.524 -1.767 27 HH22 ARG 34 2HH2 ARG 34 -2.432 0.235 -2.155 28 H VAL 35 H VAL 35 1.357 7.263 -4.250 29 HA VAL 35 HA VAL 35 3.359 9.291 -3.495 30 HB VAL 35 HB VAL 35 4.629 7.695 -4.915 31 HG11 VAL 35 1HG1 VAL 35 4.038 7.404 -7.272 32 HG12 VAL 35 2HG1 VAL 35 2.778 6.770 -6.186 33 HG13 VAL 35 3HG1 VAL 35 2.541 8.329 -7.010 34 HG21 VAL 35 1HG2 VAL 35 5.415 9.349 -6.580 35 HG22 VAL 35 2HG2 VAL 35 3.959 10.331 -6.288 36 HG23 VAL 35 3HG2 VAL 35 5.157 10.107 -4.991 37 H MET 36 H MET 36 2.786 11.309 -4.078 38 HA MET 36 HA MET 36 0.812 11.688 -6.241 39 HB2 MET 36 1HB MET 36 -0.689 13.030 -4.861 40 HB3 MET 36 2HB MET 36 -0.563 11.406 -4.199 41 HG2 MET 36 1HG MET 36 1.138 12.309 -2.558 42 HG3 MET 36 2HG MET 36 0.739 13.925 -3.142 43 HE1 MET 36 1HE MET 36 -2.072 11.119 -0.788 44 HE2 MET 36 2HE MET 36 -1.440 10.679 -2.394 45 HE3 MET 36 3HE MET 36 -0.324 10.872 -1.020 46 H ASP 37 H ASP 37 0.673 13.825 -7.029 47 HA ASP 37 HA ASP 37 3.174 15.158 -7.166 48 HB2 ASP 37 1HB ASP 37 0.360 16.095 -7.838 49 HB3 ASP 37 2HB ASP 37 1.796 17.053 -8.173 50 H HIS 38 H HIS 38 4.100 16.798 -6.099 51 HA HIS 38 HA HIS 38 3.197 17.547 -3.485 52 HB2 HIS 38 1HB HIS 38 5.577 17.660 -4.377 53 HB3 HIS 38 2HB HIS 38 5.107 19.110 -5.252 54 HD2 HIS 38 HD2 HIS 38 6.572 18.211 -1.908 55 HE1 HIS 38 HE1 HIS 38 4.744 22.025 -1.372 56 HE2 HIS 38 HE2 HIS 38 6.336 20.300 -0.374 57 HA PRO 39 HA PRO 39 -0.090 20.180 -4.270 58 HB2 PRO 39 1HB PRO 39 1.073 21.664 -1.863 59 HB3 PRO 39 2HB PRO 39 -0.615 21.259 -2.196 60 HG2 PRO 39 1HG PRO 39 0.723 19.718 -0.499 61 HG3 PRO 39 2HG PRO 39 -0.302 18.946 -1.711 62 HD2 PRO 39 1HD PRO 39 2.715 19.286 -1.684 63 HD3 PRO 39 2HD PRO 39 1.728 17.874 -2.236 64 H THR 40 H THR 40 3.087 21.642 -3.505 65 HA THR 40 HA THR 40 2.417 23.936 -5.280 66 HB THR 40 HB THR 40 3.382 25.507 -3.599 67 HG1 THR 40 HG1 THR 40 4.549 24.472 -2.146 68 HG21 THR 40 1HG2 THR 40 1.464 25.490 -2.054 69 HG22 THR 40 2HG2 THR 40 0.937 25.174 -3.724 70 HG23 THR 40 3HG2 THR 40 1.064 23.833 -2.562 71 H MET 41 H MET 41 4.120 21.581 -5.629 72 HA MET 41 HA MET 41 6.452 23.152 -6.535 73 HB2 MET 41 1HB MET 41 6.696 20.612 -4.877 74 HB3 MET 41 2HB MET 41 8.022 21.344 -5.769 75 HG2 MET 41 1HG MET 41 6.487 22.707 -3.539 76 HG3 MET 41 2HG MET 41 8.034 21.881 -3.349 77 HE1 MET 41 1HE MET 41 10.520 24.115 -5.303 78 HE2 MET 41 2HE MET 41 10.321 22.774 -4.145 79 HE3 MET 41 3HE MET 41 9.741 22.599 -5.820 80 HA PRO 42 HA PRO 42 4.781 20.842 -9.923 81 HB2 PRO 42 1HB PRO 42 6.965 22.453 -11.304 82 HB3 PRO 42 2HB PRO 42 5.293 22.184 -11.814 83 HG2 PRO 42 1HG PRO 42 5.907 24.517 -10.695 84 HG3 PRO 42 2HG PRO 42 4.412 23.710 -10.212 85 HD2 PRO 42 1HD PRO 42 7.090 23.809 -8.773 86 HD3 PRO 42 2HD PRO 42 5.421 23.952 -8.088 87 H ASP 43 H ASP 43 8.053 21.038 -8.758 88 HA ASP 43 HA ASP 43 8.950 18.918 -10.656 89 HB2 ASP 43 1HB ASP 43 11.230 19.654 -10.172 90 HB3 ASP 43 2HB ASP 43 10.259 21.021 -10.697 91 H THR 44 H THR 44 7.464 18.824 -7.919 92 HA THR 44 HA THR 44 9.263 16.771 -6.728 93 HB THR 44 HB THR 44 7.779 18.910 -5.144 94 HG1 THR 44 HG1 THR 44 9.716 19.644 -6.181 95 HG21 THR 44 1HG2 THR 44 8.930 17.915 -3.205 96 HG22 THR 44 2HG2 THR 44 7.873 16.723 -3.999 97 HG23 THR 44 3HG2 THR 44 9.632 16.664 -4.259 98 H GLN 45 H GLN 45 8.295 14.953 -6.029 99 HA GLN 45 HA GLN 45 5.318 15.031 -5.749 100 HB2 GLN 45 1HB GLN 45 7.130 12.737 -6.592 101 HB3 GLN 45 2HB GLN 45 5.439 12.529 -6.156 102 HG2 GLN 45 1HG GLN 45 4.862 14.170 -7.981 103 HG3 GLN 45 2HG GLN 45 6.572 14.078 -8.487 104 HE21 GLN 45 1HE2 GLN 45 4.058 11.497 -10.029 105 HE22 GLN 45 2HE2 GLN 45 3.711 13.092 -9.450 106 H VAL 46 H VAL 46 4.431 13.491 -4.164 107 HA VAL 46 HA VAL 46 6.217 13.465 -1.765 108 HB VAL 46 HB VAL 46 3.186 13.759 -1.910 109 HG11 VAL 46 1HG1 VAL 46 3.311 14.154 0.500 110 HG12 VAL 46 2HG1 VAL 46 3.872 12.523 0.064 111 HG13 VAL 46 3HG1 VAL 46 5.053 13.792 0.468 112 HG21 VAL 46 1HG2 VAL 46 3.630 16.045 -1.076 113 HG22 VAL 46 2HG2 VAL 46 5.380 15.735 -1.162 114 HG23 VAL 46 3HG2 VAL 46 4.407 15.774 -2.653 115 H VAL 47 H VAL 47 6.522 11.613 -0.694 116 HA VAL 47 HA VAL 47 4.982 9.241 -1.669 117 HB VAL 47 HB VAL 47 7.946 9.399 -0.969 118 HG11 VAL 47 1HG1 VAL 47 8.043 7.075 -1.727 119 HG12 VAL 47 2HG1 VAL 47 6.982 7.270 -0.312 120 HG13 VAL 47 3HG1 VAL 47 6.274 7.069 -1.933 121 HG21 VAL 47 1HG2 VAL 47 8.274 8.916 -3.373 122 HG22 VAL 47 2HG2 VAL 47 6.513 8.974 -3.623 123 HG23 VAL 47 3HG2 VAL 47 7.391 10.443 -3.138 124 H VAL 48 H VAL 48 4.254 7.817 -0.194 125 HA VAL 48 HA VAL 48 4.910 8.421 2.660 126 HB VAL 48 HB VAL 48 2.315 7.328 1.491 127 HG11 VAL 48 1HG1 VAL 48 1.434 7.573 3.761 128 HG12 VAL 48 2HG1 VAL 48 2.778 6.409 3.691 129 HG13 VAL 48 3HG1 VAL 48 3.050 8.045 4.337 130 HG21 VAL 48 1HG2 VAL 48 1.376 9.504 2.203 131 HG22 VAL 48 2HG2 VAL 48 2.994 10.030 2.725 132 HG23 VAL 48 3HG2 VAL 48 2.669 9.723 1.003 133 H ILE 49 H ILE 49 5.738 6.841 3.859 134 HA ILE 49 HA ILE 49 5.813 4.120 2.622 135 HB ILE 49 HB ILE 49 7.976 5.507 4.266 136 HG12 ILE 49 1HG1 ILE 49 9.136 4.956 1.904 137 HG13 ILE 49 2HG1 ILE 49 7.490 5.217 1.349 138 HG21 ILE 49 1HG2 ILE 49 9.328 3.522 3.725 139 HG22 ILE 49 2HG2 ILE 49 7.885 3.075 4.663 140 HG23 ILE 49 3HG2 ILE 49 7.929 2.786 2.907 141 HD11 ILE 49 1HD1 ILE 49 8.786 7.271 1.244 142 HD12 ILE 49 2HD1 ILE 49 7.463 7.425 2.426 143 HD13 ILE 49 3HD1 ILE 49 9.131 7.162 2.986 144 HA PRO 50 HA PRO 50 3.596 2.972 6.229 145 HB2 PRO 50 1HB PRO 50 4.629 0.252 5.328 146 HB3 PRO 50 2HB PRO 50 2.993 0.710 5.823 147 HG2 PRO 50 1HG PRO 50 3.493 0.457 3.223 148 HG3 PRO 50 2HG PRO 50 2.535 1.835 3.774 149 HD2 PRO 50 1HD PRO 50 5.479 1.726 3.012 150 HD3 PRO 50 2HD PRO 50 4.245 2.989 2.620 151 H LYS 51 H LYS 51 4.070 2.151 8.327 152 HA LYS 51 HA LYS 51 6.787 2.523 9.173 153 HB2 LYS 51 1HB LYS 51 4.371 1.357 10.611 154 HB3 LYS 51 2HB LYS 51 5.915 1.673 11.390 155 HG2 LYS 51 1HG LYS 51 5.692 4.078 10.841 156 HG3 LYS 51 2HG LYS 51 4.122 3.747 10.094 157 HD2 LYS 51 1HD LYS 51 3.280 2.878 12.256 158 HD3 LYS 51 2HD LYS 51 4.848 3.221 13.001 159 HE2 LYS 51 1HE LYS 51 4.574 5.621 12.490 160 HE3 LYS 51 2HE LYS 51 3.016 5.289 11.730 161 HZ1 LYS 51 1HZ LYS 51 2.756 6.043 13.977 162 HZ2 LYS 51 2HZ LYS 51 2.218 4.490 13.847 163 HZ3 LYS 51 3HZ LYS 51 3.673 4.802 14.558 164 H SER 52 H SER 52 8.379 1.144 9.728 165 HA SER 52 HA SER 52 9.416 -0.903 10.160 166 HB2 SER 52 1HB SER 52 8.221 -2.860 10.445 167 HB3 SER 52 2HB SER 52 6.973 -1.662 10.749 168 HG SER 52 HG SER 52 6.009 -2.178 8.996 169 H ALA 53 H ALA 53 7.997 0.189 7.299 170 HA ALA 53 HA ALA 53 9.100 -1.866 5.548 171 HB1 ALA 53 1HB ALA 53 8.400 -0.343 3.728 172 HB2 ALA 53 2HB ALA 53 7.087 -0.619 4.898 173 HB3 ALA 53 3HB ALA 53 8.005 0.904 4.934 174 H ASP 54 H ASP 54 10.687 -1.458 3.887 175 HA ASP 54 HA ASP 54 13.019 -0.144 5.087 176 HB2 ASP 54 1HB ASP 54 13.234 -2.366 4.016 177 HB3 ASP 54 2HB ASP 54 12.715 -1.690 2.479 178 H LEU 55 H LEU 55 13.062 2.003 4.935 179 HA LEU 55 HA LEU 55 11.913 3.523 2.822 180 HB2 LEU 55 1HB LEU 55 12.479 4.405 5.077 181 HB3 LEU 55 2HB LEU 55 14.194 4.279 4.680 182 HG LEU 55 HG LEU 55 13.904 5.959 2.889 183 HD11 LEU 55 1HD1 LEU 55 11.781 7.177 2.710 184 HD12 LEU 55 2HD1 LEU 55 11.585 5.453 2.316 185 HD13 LEU 55 3HD1 LEU 55 11.047 6.073 3.895 186 HD21 LEU 55 1HD2 LEU 55 13.505 7.880 4.392 187 HD22 LEU 55 2HD2 LEU 55 12.795 6.786 5.603 188 HD23 LEU 55 3HD2 LEU 55 14.519 6.649 5.182 189 H GLN 56 H GLN 56 15.071 2.028 3.207 190 HA GLN 56 HA GLN 56 16.427 3.633 1.247 191 HB2 GLN 56 1HB GLN 56 17.041 0.873 2.373 192 HB3 GLN 56 2HB GLN 56 18.120 1.753 1.300 193 HG2 GLN 56 1HG GLN 56 17.192 2.706 4.018 194 HG3 GLN 56 2HG GLN 56 18.774 1.968 3.640 195 HE21 GLN 56 1HE2 GLN 56 18.402 5.892 3.438 196 HE22 GLN 56 2HE2 GLN 56 17.416 4.810 4.363 197 H SER 57 H SER 57 14.731 0.515 1.096 198 HA SER 57 HA SER 57 15.259 -0.021 -1.656 199 HB2 SER 57 1HB SER 57 12.930 -0.759 0.140 200 HB3 SER 57 2HB SER 57 13.114 -1.362 -1.500 201 HG SER 57 HG SER 57 14.750 -1.754 0.735 202 H VAL 58 H VAL 58 12.682 1.828 -0.040 203 HA VAL 58 HA VAL 58 11.199 2.458 -2.390 204 HB VAL 58 HB VAL 58 11.539 3.974 0.231 205 HG11 VAL 58 1HG1 VAL 58 9.515 5.202 -0.388 206 HG12 VAL 58 2HG1 VAL 58 10.857 5.518 -1.514 207 HG13 VAL 58 3HG1 VAL 58 9.534 4.424 -1.988 208 HG21 VAL 58 1HG2 VAL 58 9.322 2.996 0.732 209 HG22 VAL 58 2HG2 VAL 58 9.342 2.151 -0.834 210 HG23 VAL 58 3HG2 VAL 58 10.530 1.728 0.423 211 H ILE 59 H ILE 59 13.811 4.224 -0.704 212 HA ILE 59 HA ILE 59 13.897 6.456 -2.448 213 HB ILE 59 HB ILE 59 16.025 5.143 -0.722 214 HG12 ILE 59 1HG1 ILE 59 14.599 7.789 -0.402 215 HG13 ILE 59 2HG1 ILE 59 14.033 6.289 0.317 216 HG21 ILE 59 1HG2 ILE 59 17.397 7.150 -1.107 217 HG22 ILE 59 2HG2 ILE 59 17.135 6.256 -2.621 218 HG23 ILE 59 3HG2 ILE 59 16.209 7.739 -2.294 219 HD11 ILE 59 1HD1 ILE 59 15.302 7.605 1.920 220 HD12 ILE 59 2HD1 ILE 59 16.138 6.074 1.563 221 HD13 ILE 59 3HD1 ILE 59 16.713 7.595 0.836 222 H SER 60 H SER 60 15.572 3.321 -2.599 223 HA SER 60 HA SER 60 17.226 3.885 -4.826 224 HB2 SER 60 1HB SER 60 15.931 1.274 -3.978 225 HB3 SER 60 2HB SER 60 17.213 1.411 -5.171 226 HG SER 60 HG SER 60 17.306 2.226 -2.479 227 H VAL 61 H VAL 61 13.927 2.514 -4.703 228 HA VAL 61 HA VAL 61 13.591 2.256 -7.519 229 HB VAL 61 HB VAL 61 11.566 2.728 -5.291 230 HG11 VAL 61 1HG1 VAL 61 9.862 1.962 -6.872 231 HG12 VAL 61 2HG1 VAL 61 10.628 3.478 -7.401 232 HG13 VAL 61 3HG1 VAL 61 11.078 1.939 -8.170 233 HG21 VAL 61 1HG2 VAL 61 11.162 0.302 -5.564 234 HG22 VAL 61 2HG2 VAL 61 12.422 0.234 -6.818 235 HG23 VAL 61 3HG2 VAL 61 12.859 0.628 -5.137 236 H LEU 62 H LEU 62 12.798 4.923 -5.279 237 HA LEU 62 HA LEU 62 11.566 6.602 -7.220 238 HB2 LEU 62 1HB LEU 62 13.021 7.252 -4.637 239 HB3 LEU 62 2HB LEU 62 12.132 8.445 -5.589 240 HG LEU 62 HG LEU 62 10.900 5.970 -4.326 241 HD11 LEU 62 1HD1 LEU 62 9.937 7.553 -2.716 242 HD12 LEU 62 2HD1 LEU 62 11.715 7.541 -2.643 243 HD13 LEU 62 3HD1 LEU 62 10.866 8.876 -3.460 244 HD21 LEU 62 1HD2 LEU 62 8.779 7.104 -4.896 245 HD22 LEU 62 2HD2 LEU 62 9.690 8.421 -5.672 246 HD23 LEU 62 3HD2 LEU 62 9.744 6.778 -6.357 247 H THR 63 H THR 63 14.941 6.206 -6.217 248 HA THR 63 HA THR 63 15.961 8.524 -7.524 249 HB THR 63 HB THR 63 17.364 5.889 -6.903 250 HG1 THR 63 HG1 THR 63 16.490 6.998 -5.070 251 HG21 THR 63 1HG2 THR 63 19.427 7.232 -7.010 252 HG22 THR 63 2HG2 THR 63 18.577 7.245 -8.573 253 HG23 THR 63 3HG2 THR 63 18.479 8.656 -7.495 254 H ALA 64 H ALA 64 15.717 5.132 -8.611 255 HA ALA 64 HA ALA 64 16.902 5.519 -11.154 256 HB1 ALA 64 1HB ALA 64 15.713 3.450 -11.804 257 HB2 ALA 64 2HB ALA 64 16.478 3.297 -10.204 258 HB3 ALA 64 3HB ALA 64 14.725 3.565 -10.330 259 H LYS 65 H LYS 65 13.464 5.654 -10.190 260 HA LYS 65 HA LYS 65 12.486 6.402 -12.768 261 HB2 LYS 65 1HB LYS 65 11.395 6.857 -9.966 262 HB3 LYS 65 2HB LYS 65 10.521 7.319 -11.420 263 HG2 LYS 65 1HG LYS 65 10.502 4.971 -12.167 264 HG3 LYS 65 2HG LYS 65 11.390 4.502 -10.710 265 HD2 LYS 65 1HD LYS 65 9.535 5.358 -9.310 266 HD3 LYS 65 2HD LYS 65 8.646 5.815 -10.770 267 HE2 LYS 65 1HE LYS 65 8.599 3.454 -11.489 268 HE3 LYS 65 2HE LYS 65 9.512 2.989 -10.052 269 HZ1 LYS 65 1HZ LYS 65 7.172 2.629 -9.764 270 HZ2 LYS 65 2HZ LYS 65 7.691 3.785 -8.707 271 HZ3 LYS 65 3HZ LYS 65 6.837 4.219 -10.050 272 H GLY 66 H GLY 66 13.751 8.286 -10.052 273 HA2 GLY 66 1HA GLY 66 12.927 10.865 -10.910 274 HA3 GLY 66 2HA GLY 66 14.301 10.531 -9.874 275 H LYS 67 H LYS 67 15.778 8.893 -11.720 276 HA LYS 67 HA LYS 67 17.040 11.093 -13.182 277 HB2 LYS 67 1HB LYS 67 17.768 8.166 -12.801 278 HB3 LYS 67 2HB LYS 67 18.717 9.269 -13.788 279 HG2 LYS 67 1HG LYS 67 19.102 10.704 -11.809 280 HG3 LYS 67 2HG LYS 67 18.171 9.568 -10.821 281 HD2 LYS 67 1HD LYS 67 19.774 7.768 -11.365 282 HD3 LYS 67 2HD LYS 67 20.700 8.893 -12.369 283 HE2 LYS 67 1HE LYS 67 21.144 10.305 -10.394 284 HE3 LYS 67 2HE LYS 67 20.198 9.207 -9.385 285 HZ1 LYS 67 1HZ LYS 67 22.536 8.767 -9.216 286 HZ2 LYS 67 2HZ LYS 67 21.774 7.471 -9.897 287 HZ3 LYS 67 3HZ LYS 67 22.659 8.498 -10.839 288 H GLU 68 H GLU 68 15.201 8.173 -13.929 289 HA GLU 68 HA GLU 68 15.881 7.947 -16.663 290 HB2 GLU 68 1HB GLU 68 14.664 6.205 -15.386 291 HB3 GLU 68 2HB GLU 68 13.252 7.250 -15.290 292 HG2 GLU 68 1HG GLU 68 13.021 7.184 -17.733 293 HG3 GLU 68 2HG GLU 68 14.452 6.161 -17.847 294 H ALA 69 H ALA 69 13.184 9.711 -15.121 295 HA ALA 69 HA ALA 69 12.669 10.999 -17.760 296 HB1 ALA 69 1HB ALA 69 10.427 11.529 -16.858 297 HB2 ALA 69 2HB ALA 69 10.747 9.780 -16.841 298 HB3 ALA 69 3HB ALA 69 10.857 10.719 -15.334 299 H GLY 70 H GLY 70 11.700 12.128 -14.549 300 HA2 GLY 70 1HA GLY 70 12.489 13.948 -13.294 301 HA3 GLY 70 2HA GLY 70 13.765 14.200 -14.471 302 HA PRO 71 HA PRO 71 10.242 17.180 -15.333 303 HB2 PRO 71 1HB PRO 71 10.531 19.222 -13.585 304 HB3 PRO 71 2HB PRO 71 9.624 17.774 -13.128 305 HG2 PRO 71 1HG PRO 71 12.507 18.511 -12.473 306 HG3 PRO 71 2HG PRO 71 11.258 17.896 -11.384 307 HD2 PRO 71 1HD PRO 71 13.155 16.275 -12.591 308 HD3 PRO 71 2HD PRO 71 11.515 15.689 -12.100 309 H GLN 72 H GLN 72 10.838 19.864 -15.412 310 HA GLN 72 HA GLN 72 13.002 20.115 -17.243 311 HB2 GLN 72 1HB GLN 72 11.538 22.179 -15.557 312 HB3 GLN 72 2HB GLN 72 12.756 22.604 -16.751 313 HG2 GLN 72 1HG GLN 72 11.414 21.619 -18.526 314 HG3 GLN 72 2HG GLN 72 10.195 21.099 -17.330 315 HE21 GLN 72 1HE2 GLN 72 9.270 24.356 -19.042 316 HE22 GLN 72 2HE2 GLN 72 9.835 22.834 -19.650 317 H GLY 73 H GLY 73 12.819 20.502 -13.737 318 HA2 GLY 73 1HA GLY 73 15.758 21.065 -13.697 319 HA3 GLY 73 2HA GLY 73 14.642 21.470 -12.407 320 H ARG 74 H ARG 74 15.720 20.335 -10.804 321 HA ARG 74 HA ARG 74 16.396 17.521 -11.138 322 HB2 ARG 74 1HB ARG 74 16.337 19.330 -8.702 323 HB3 ARG 74 2HB ARG 74 16.874 17.658 -8.667 324 HG2 ARG 74 1HG ARG 74 18.687 18.190 -10.231 325 HG3 ARG 74 2HG ARG 74 18.138 19.882 -10.289 326 HD2 ARG 74 1HD ARG 74 18.856 18.512 -7.722 327 HD3 ARG 74 2HD ARG 74 20.059 19.331 -8.745 328 HE ARG 74 HE ARG 74 18.163 21.238 -8.463 329 HH11 ARG 74 1HH1 ARG 74 19.791 19.171 -6.137 330 HH12 ARG 74 2HH1 ARG 74 19.693 20.340 -4.841 331 HH21 ARG 74 1HH2 ARG 74 18.042 22.748 -6.772 332 HH22 ARG 74 2HH2 ARG 74 18.704 22.367 -5.199 333 H ASN 75 H ASN 75 15.313 15.746 -10.496 334 HA ASN 75 HA ASN 75 12.515 16.078 -9.665 335 HB2 ASN 75 1HB ASN 75 13.291 14.365 -11.353 336 HB3 ASN 75 2HB ASN 75 14.093 13.516 -10.039 337 HD21 ASN 75 1HD2 ASN 75 10.460 12.462 -10.787 338 HD22 ASN 75 2HD2 ASN 75 11.690 13.010 -11.876 339 H LYS 76 H LYS 76 11.905 16.310 -7.668 340 HA LYS 76 HA LYS 76 13.597 15.068 -5.539 341 HB2 LYS 76 1HB LYS 76 11.950 17.625 -5.421 342 HB3 LYS 76 2HB LYS 76 12.780 16.901 -4.052 343 HG2 LYS 76 1HG LYS 76 14.948 17.226 -5.190 344 HG3 LYS 76 2HG LYS 76 14.108 17.961 -6.564 345 HD2 LYS 76 1HD LYS 76 13.858 19.014 -3.726 346 HD3 LYS 76 2HD LYS 76 15.097 19.578 -4.858 347 HE2 LYS 76 1HE LYS 76 12.118 19.644 -5.445 348 HE3 LYS 76 2HE LYS 76 13.019 21.005 -4.773 349 HZ1 LYS 76 1HZ LYS 76 12.810 21.172 -7.142 350 HZ2 LYS 76 2HZ LYS 76 14.398 20.987 -6.736 351 HZ3 LYS 76 3HZ LYS 76 13.555 19.718 -7.365 352 H PHE 77 H PHE 77 12.608 14.091 -3.791 353 HA PHE 77 HA PHE 77 9.632 13.864 -3.944 354 HB2 PHE 77 1HB PHE 77 11.651 11.690 -3.265 355 HB3 PHE 77 2HB PHE 77 9.924 11.545 -2.971 356 HD1 PHE 77 HD1 PHE 77 12.558 11.577 -5.500 357 HD2 PHE 77 HD2 PHE 77 8.347 11.341 -4.823 358 HE1 PHE 77 HE1 PHE 77 12.235 10.748 -7.807 359 HE2 PHE 77 HE2 PHE 77 8.019 10.511 -7.129 360 HZ PHE 77 HZ PHE 77 9.966 10.216 -8.621 361 H ILE 78 H ILE 78 8.510 13.761 -1.997 362 HA ILE 78 HA ILE 78 10.116 14.461 0.416 363 HB ILE 78 HB ILE 78 7.120 14.775 -0.057 364 HG12 ILE 78 1HG1 ILE 78 8.365 16.268 -1.501 365 HG13 ILE 78 2HG1 ILE 78 7.582 17.168 -0.212 366 HG21 ILE 78 1HG2 ILE 78 7.198 16.118 2.005 367 HG22 ILE 78 2HG2 ILE 78 7.722 14.446 2.312 368 HG23 ILE 78 3HG2 ILE 78 8.928 15.747 2.188 369 HD11 ILE 78 1HD1 ILE 78 9.830 17.998 -0.621 370 HD12 ILE 78 2HD1 ILE 78 9.709 17.294 1.011 371 HD13 ILE 78 3HD1 ILE 78 10.504 16.384 -0.296 372 H LEU 79 H LEU 79 10.432 12.992 1.923 373 HA LEU 79 HA LEU 79 9.013 10.411 1.605 374 HB2 LEU 79 1HB LEU 79 11.458 11.135 3.261 375 HB3 LEU 79 2HB LEU 79 10.809 9.508 3.034 376 HG LEU 79 HG LEU 79 12.021 11.258 0.865 377 HD11 LEU 79 1HD1 LEU 79 13.826 9.596 0.908 378 HD12 LEU 79 2HD1 LEU 79 13.658 10.422 2.474 379 HD13 LEU 79 3HD1 LEU 79 13.032 8.769 2.271 380 HD21 LEU 79 1HD2 LEU 79 11.799 9.229 -0.528 381 HD22 LEU 79 2HD2 LEU 79 10.977 8.397 0.813 382 HD23 LEU 79 3HD2 LEU 79 10.208 9.799 0.031 383 H LEU 80 H LEU 80 7.247 10.113 2.758 384 HA LEU 80 HA LEU 80 7.154 11.300 5.500 385 HB2 LEU 80 1HB LEU 80 4.859 10.660 3.612 386 HB3 LEU 80 2HB LEU 80 4.696 11.321 5.241 387 HG LEU 80 HG LEU 80 6.044 12.728 2.908 388 HD11 LEU 80 1HD1 LEU 80 4.054 14.163 2.942 389 HD12 LEU 80 2HD1 LEU 80 3.637 12.471 2.582 390 HD13 LEU 80 3HD1 LEU 80 3.334 13.136 4.205 391 HD21 LEU 80 1HD2 LEU 80 6.008 14.673 4.433 392 HD22 LEU 80 2HD2 LEU 80 5.316 13.653 5.718 393 HD23 LEU 80 3HD2 LEU 80 6.962 13.337 5.120 394 H SER 81 H SER 81 6.545 10.069 7.209 395 HA SER 81 HA SER 81 6.435 7.152 6.753 396 HB2 SER 81 1HB SER 81 6.515 8.813 9.295 397 HB3 SER 81 2HB SER 81 6.500 7.057 9.252 398 HG SER 81 HG SER 81 8.428 7.032 8.311 399 H GLY 82 H GLY 82 4.696 5.881 7.018 400 HA2 GLY 82 1HA GLY 82 2.662 5.953 8.776 401 HA3 GLY 82 2HA GLY 82 2.096 7.158 7.633 402 H ASP 83 H ASP 83 1.072 4.439 8.362 403 HA ASP 83 HA ASP 83 1.539 2.636 6.186 404 HB2 ASP 83 1HB ASP 83 -0.787 2.889 8.132 405 HB3 ASP 83 2HB ASP 83 -0.627 1.576 6.974 406 H THR 84 H THR 84 0.175 2.052 4.447 407 HA THR 84 HA THR 84 -1.290 4.440 3.402 408 HB THR 84 HB THR 84 -0.520 3.800 1.147 409 HG1 THR 84 HG1 THR 84 1.388 2.108 1.516 410 HG21 THR 84 1HG2 THR 84 1.874 4.310 1.426 411 HG22 THR 84 2HG2 THR 84 0.879 5.336 2.485 412 HG23 THR 84 3HG2 THR 84 1.755 3.943 3.162 413 H SER 85 H SER 85 -3.121 4.107 2.086 414 HA SER 85 HA SER 85 -3.732 1.286 1.398 415 HB2 SER 85 1HB SER 85 -5.153 1.790 3.325 416 HB3 SER 85 2HB SER 85 -5.732 3.258 2.552 417 HG SER 85 HG SER 85 -6.590 0.777 2.301 418 H ALA 569 1H ALA 569 4.684 21.240 2.621 419 HA ALA 569 HA ALA 569 6.430 22.694 3.265 420 HB1 ALA 569 1HB ALA 569 7.937 20.956 4.176 421 HB2 ALA 569 2HB ALA 569 6.224 20.508 4.363 422 HB3 ALA 569 3HB ALA 569 7.205 19.760 3.081 423 H GLN 570 H GLN 570 8.576 23.408 3.042 424 HA GLN 570 HA GLN 570 9.046 23.787 0.191 425 HB2 GLN 570 1HB GLN 570 9.150 25.701 1.718 426 HB3 GLN 570 2HB GLN 570 10.429 24.934 2.649 427 HG2 GLN 570 1HG GLN 570 11.366 26.629 1.231 428 HG3 GLN 570 2HG GLN 570 11.900 25.025 0.656 429 HE21 GLN 570 1HE2 GLN 570 10.803 25.578 -2.574 430 HE22 GLN 570 2HE2 GLN 570 11.870 24.777 -1.470 431 H ALA 571 H ALA 571 10.098 22.306 -0.925 432 HA ALA 571 HA ALA 571 12.077 20.566 0.232 433 HB1 ALA 571 1HB ALA 571 12.475 19.848 -2.102 434 HB2 ALA 571 2HB ALA 571 10.738 19.897 -1.714 435 HB3 ALA 571 3HB ALA 571 11.470 21.198 -2.681 436 H GLY 572 H GLY 572 14.295 20.496 -0.017 437 HA2 GLY 572 1HA GLY 572 16.289 21.289 -1.220 438 HA3 GLY 572 2HA GLY 572 15.563 22.883 -1.305 439 H ALA 573 H ALA 573 17.953 21.245 0.142 440 HA ALA 573 HA ALA 573 17.633 21.732 2.923 441 HB1 ALA 573 1HB ALA 573 20.082 21.411 3.051 442 HB2 ALA 573 2HB ALA 573 19.307 20.176 2.031 443 HB3 ALA 573 3HB ALA 573 20.181 21.530 1.279 444 H ALA 574 H ALA 574 18.611 23.813 0.293 445 HA ALA 574 HA ALA 574 19.874 25.745 2.109 446 HB1 ALA 574 1HB ALA 574 20.326 27.023 0.041 447 HB2 ALA 574 2HB ALA 574 20.872 25.336 -0.095 448 HB3 ALA 574 3HB ALA 574 19.364 25.849 -0.886 449 H ASN 575 H ASN 575 16.766 25.013 1.480 450 HA ASN 575 HA ASN 575 15.878 27.855 1.280 451 HB2 ASN 575 1HB ASN 575 14.419 25.264 0.666 452 HB3 ASN 575 2HB ASN 575 13.674 26.855 0.625 453 HD21 ASN 575 1HD2 ASN 575 15.130 25.599 -2.704 454 HD22 ASN 575 2HD2 ASN 575 14.356 24.715 -1.433 455 H ARG 576 H ARG 576 13.193 27.248 2.141 456 HA ARG 576 HA ARG 576 13.624 28.006 4.876 457 HB2 ARG 576 1HB ARG 576 11.108 27.218 3.371 458 HB3 ARG 576 2HB ARG 576 11.106 27.811 5.025 459 HG2 ARG 576 1HG ARG 576 12.047 29.943 4.294 460 HG3 ARG 576 2HG ARG 576 12.126 29.345 2.618 461 HD2 ARG 576 1HD ARG 576 9.602 29.545 4.243 462 HD3 ARG 576 2HD ARG 576 10.177 30.783 3.102 463 HE ARG 576 HE ARG 576 10.143 28.393 1.685 464 HH11 ARG 576 1HH1 ARG 576 7.821 30.402 3.391 465 HH12 ARG 576 2HH1 ARG 576 6.480 29.938 2.367 466 HH21 ARG 576 1HH2 ARG 576 8.394 27.798 0.365 467 HH22 ARG 576 2HH2 ARG 576 6.803 28.464 0.654 468 H SER 577 H SER 577 12.733 26.976 6.777 469 HA SER 577 HA SER 577 13.741 24.334 7.060 470 HB2 SER 577 1HB SER 577 11.791 25.881 8.800 471 HB3 SER 577 2HB SER 577 12.595 24.393 9.276 472 HG SER 577 HG SER 577 13.833 25.964 10.023 473 H LEU 578 H LEU 578 12.767 22.343 7.333 474 HA LEU 578 HA LEU 578 10.311 21.977 5.796 475 HB2 LEU 578 1HB LEU 578 12.029 20.001 7.340 476 HB3 LEU 578 2HB LEU 578 10.682 19.566 6.282 477 HG LEU 578 HG LEU 578 13.237 20.947 5.384 478 HD11 LEU 578 1HD1 LEU 578 13.760 18.778 4.361 479 HD12 LEU 578 2HD1 LEU 578 13.629 18.656 6.131 480 HD13 LEU 578 3HD1 LEU 578 12.301 18.078 5.098 481 HD21 LEU 578 1HD2 LEU 578 12.364 20.456 3.124 482 HD22 LEU 578 2HD2 LEU 578 10.883 19.780 3.841 483 HD23 LEU 578 3HD2 LEU 578 11.250 21.512 4.025 484 H THR 579 H THR 579 8.343 21.211 6.507 485 HA THR 579 HA THR 579 7.803 21.515 9.395 486 HB THR 579 HB THR 579 5.920 20.911 7.073 487 HG1 THR 579 HG1 THR 579 6.421 23.304 8.556 488 HG21 THR 579 1HG2 THR 579 4.138 21.450 8.686 489 HG22 THR 579 2HG2 THR 579 5.085 20.045 9.231 490 HG23 THR 579 3HG2 THR 579 5.352 21.640 9.971 491 H GLU 580 H GLU 580 7.605 19.020 6.854 492 HA GLU 580 HA GLU 580 8.038 16.938 8.864 493 HB2 GLU 580 1HB GLU 580 5.578 17.318 9.012 494 HB3 GLU 580 2HB GLU 580 5.431 17.000 7.289 495 HG2 GLU 580 1HG GLU 580 6.206 14.708 7.616 496 HG3 GLU 580 2HG GLU 580 6.445 15.015 9.335 497 H GLY 581 H GLY 581 9.036 15.203 8.035 498 HA2 GLY 581 1HA GLY 581 9.336 13.496 6.390 499 HA3 GLY 581 2HA GLY 581 8.661 14.555 5.166 500 H PHE 582 H PHE 582 10.980 13.159 4.663 501 HA PHE 582 HA PHE 582 13.106 15.242 4.820 502 HB2 PHE 582 1HB PHE 582 13.246 12.284 4.115 503 HB3 PHE 582 2HB PHE 582 14.612 13.385 4.028 504 HD1 PHE 582 HD1 PHE 582 13.677 14.972 6.582 505 HD2 PHE 582 HD2 PHE 582 14.330 10.840 5.712 506 HE1 PHE 582 HE1 PHE 582 14.172 14.549 8.966 507 HE2 PHE 582 HE2 PHE 582 14.822 10.413 8.097 508 HZ PHE 582 HZ PHE 582 14.745 12.270 9.724 509 H VAL 583 H VAL 583 14.437 15.584 2.898 510 HA VAL 583 HA VAL 583 12.708 15.526 0.461 511 HB VAL 583 HB VAL 583 14.956 17.449 1.201 512 HG11 VAL 583 1HG1 VAL 583 14.239 18.717 -0.766 513 HG12 VAL 583 2HG1 VAL 583 14.823 17.092 -1.196 514 HG13 VAL 583 3HG1 VAL 583 13.076 17.433 -1.168 515 HG21 VAL 583 1HG2 VAL 583 13.127 19.101 1.419 516 HG22 VAL 583 2HG2 VAL 583 11.934 17.822 1.087 517 HG23 VAL 583 3HG2 VAL 583 12.921 17.757 2.567 518 H LEU 584 H LEU 584 13.321 14.248 -1.131 519 HA LEU 584 HA LEU 584 16.088 13.167 -1.058 520 HB2 LEU 584 1HB LEU 584 14.304 11.508 -0.977 521 HB3 LEU 584 2HB LEU 584 13.562 12.185 -2.431 522 HG LEU 584 HG LEU 584 15.608 11.507 -3.721 523 HD11 LEU 584 1HD1 LEU 584 17.148 9.910 -2.671 524 HD12 LEU 584 2HD1 LEU 584 17.186 11.491 -1.857 525 HD13 LEU 584 3HD1 LEU 584 16.315 10.127 -1.116 526 HD21 LEU 584 1HD2 LEU 584 15.019 9.107 -3.731 527 HD22 LEU 584 2HD2 LEU 584 14.154 9.312 -2.188 528 HD23 LEU 584 3HD2 LEU 584 13.559 10.124 -3.657 529 H ASP 585 H ASP 585 17.530 14.041 -2.359 530 HA ASP 585 HA ASP 585 16.647 15.171 -4.956 531 HB2 ASP 585 1HB ASP 585 18.202 16.524 -3.605 532 HB3 ASP 585 2HB ASP 585 19.359 15.201 -3.571 533 H THR 586 H THR 586 16.384 13.714 -6.511 534 HA THR 586 HA THR 586 17.801 11.159 -6.344 535 HB THR 586 HB THR 586 16.395 10.514 -8.284 536 HG1 THR 586 HG1 THR 586 15.454 13.207 -8.106 537 HG21 THR 586 1HG2 THR 586 14.207 10.712 -7.171 538 HG22 THR 586 2HG2 THR 586 15.482 10.307 -5.998 539 HG23 THR 586 3HG2 THR 586 14.860 11.971 -6.099 540 H MET 587 H MET 587 18.548 14.137 -7.624 541 HA MET 587 HA MET 587 19.837 13.052 -10.064 542 HB2 MET 587 1HB MET 587 19.472 15.904 -9.062 543 HB3 MET 587 2HB MET 587 20.276 15.473 -10.564 544 HG2 MET 587 1HG MET 587 17.374 14.905 -9.895 545 HG3 MET 587 2HG MET 587 17.967 16.206 -10.931 546 HE1 MET 587 1HE MET 587 16.204 13.552 -13.324 547 HE2 MET 587 2HE MET 587 15.777 13.850 -11.621 548 HE3 MET 587 3HE MET 587 16.139 15.218 -12.701 549 H ASN 588 H ASN 588 20.620 14.542 -6.958 550 HA ASN 588 HA ASN 588 23.509 14.109 -7.566 551 HB2 ASN 588 1HB ASN 588 22.125 15.833 -5.489 552 HB3 ASN 588 2HB ASN 588 23.860 15.540 -5.510 553 HD21 ASN 588 1HD2 ASN 588 22.195 18.294 -7.919 554 HD22 ASN 588 2HD2 ASN 588 21.298 17.389 -6.746 555 H ASP 589 H ASP 589 21.102 12.351 -6.431 556 HA ASP 589 HA ASP 589 20.958 10.547 -5.002 557 HB2 ASP 589 1HB ASP 589 23.953 10.596 -5.532 558 HB3 ASP 589 2HB ASP 589 23.150 9.293 -4.667 559 H SER 590 H SER 590 20.645 12.743 -3.562 560 HA SER 590 HA SER 590 22.124 12.132 -1.061 561 HB2 SER 590 1HB SER 590 23.350 13.979 -2.094 562 HB3 SER 590 2HB SER 590 21.863 14.893 -2.294 563 HG SER 590 HG SER 590 22.358 13.957 0.232 564 H LEU 591 H LEU 591 20.809 11.954 0.605 565 HA LEU 591 HA LEU 591 18.065 13.065 0.365 566 HB2 LEU 591 1HB LEU 591 18.243 10.696 0.939 567 HB3 LEU 591 2HB LEU 591 19.285 11.077 2.314 568 HG LEU 591 HG LEU 591 17.371 12.300 3.368 569 HD11 LEU 591 1HD1 LEU 591 15.124 11.959 2.440 570 HD12 LEU 591 2HD1 LEU 591 16.167 12.867 1.319 571 HD13 LEU 591 3HD1 LEU 591 15.832 11.144 1.025 572 HD21 LEU 591 1HD2 LEU 591 16.137 10.244 3.967 573 HD22 LEU 591 2HD2 LEU 591 16.859 9.403 2.574 574 HD23 LEU 591 3HD2 LEU 591 17.891 9.946 3.919 575 H SER 592 H SER 592 17.563 14.910 1.289 576 HA SER 592 HA SER 592 19.405 16.071 3.280 577 HB2 SER 592 1HB SER 592 18.675 17.524 1.493 578 HB3 SER 592 2HB SER 592 16.987 17.157 1.808 579 HG SER 592 HG SER 592 17.825 17.924 4.068 580 H LYS 593 H LYS 593 19.116 15.947 5.381 581 HA LYS 593 HA LYS 593 16.368 15.315 6.376 582 HB2 LYS 593 1HB LYS 593 19.076 14.580 7.557 583 HB3 LYS 593 2HB LYS 593 17.533 14.292 8.348 584 HG2 LYS 593 1HG LYS 593 16.857 12.816 6.477 585 HG3 LYS 593 2HG LYS 593 18.431 13.085 5.715 586 HD2 LYS 593 1HD LYS 593 19.553 12.142 7.717 587 HD3 LYS 593 2HD LYS 593 17.972 11.853 8.458 588 HE2 LYS 593 1HE LYS 593 17.370 10.348 6.591 589 HE3 LYS 593 2HE LYS 593 18.943 10.639 5.843 590 HZ1 LYS 593 1HZ LYS 593 18.922 8.609 7.094 591 HZ2 LYS 593 2HZ LYS 593 19.977 9.675 7.782 592 HZ3 LYS 593 3HZ LYS 593 18.507 9.402 8.479 Start of MODEL 4 1 H GLY 32 1H GLY 32 1.114 -1.886 1.578 2 HA2 GLY 32 1HA GLY 32 3.273 -1.082 2.099 3 HA3 GLY 32 2HA GLY 32 2.960 -1.033 0.375 4 H ILE 33 H ILE 33 3.559 0.792 -0.593 5 HA ILE 33 HA ILE 33 3.654 3.277 1.067 6 HB ILE 33 HB ILE 33 5.541 3.994 -0.411 7 HG12 ILE 33 1HG1 ILE 33 6.608 1.885 -1.621 8 HG13 ILE 33 2HG1 ILE 33 4.929 1.377 -1.712 9 HG21 ILE 33 1HG2 ILE 33 7.227 2.475 0.543 10 HG22 ILE 33 2HG2 ILE 33 5.998 2.907 1.754 11 HG23 ILE 33 3HG2 ILE 33 5.947 1.313 0.964 12 HD11 ILE 33 1HD1 ILE 33 5.593 2.570 -3.723 13 HD12 ILE 33 2HD1 ILE 33 4.340 3.477 -2.842 14 HD13 ILE 33 3HD1 ILE 33 6.042 3.992 -2.754 15 H ARG 34 H ARG 34 3.569 5.312 -0.204 16 HA ARG 34 HA ARG 34 1.742 5.004 -2.550 17 HB2 ARG 34 1HB ARG 34 1.660 7.160 -0.412 18 HB3 ARG 34 2HB ARG 34 0.629 7.089 -1.833 19 HG2 ARG 34 1HG ARG 34 -0.447 5.082 -1.031 20 HG3 ARG 34 2HG ARG 34 0.685 4.979 0.339 21 HD2 ARG 34 1HD ARG 34 -1.349 5.896 1.124 22 HD3 ARG 34 2HD ARG 34 -0.142 7.203 1.077 23 HE ARG 34 HE ARG 34 -1.801 6.982 -1.305 24 HH11 ARG 34 1HH1 ARG 34 -1.434 8.420 1.879 25 HH12 ARG 34 2HH1 ARG 34 -2.494 9.767 1.531 26 HH21 ARG 34 1HH2 ARG 34 -3.177 8.735 -1.745 27 HH22 ARG 34 2HH2 ARG 34 -3.481 9.946 -0.520 28 H VAL 35 H VAL 35 1.974 6.428 -4.253 29 HA VAL 35 HA VAL 35 4.197 8.406 -4.030 30 HB VAL 35 HB VAL 35 3.629 6.618 -6.434 31 HG11 VAL 35 1HG1 VAL 35 5.653 7.615 -7.379 32 HG12 VAL 35 2HG1 VAL 35 4.387 8.830 -7.087 33 HG13 VAL 35 3HG1 VAL 35 5.772 8.703 -5.977 34 HG21 VAL 35 1HG2 VAL 35 5.834 5.625 -5.908 35 HG22 VAL 35 2HG2 VAL 35 5.949 6.652 -4.459 36 HG23 VAL 35 3HG2 VAL 35 4.689 5.399 -4.564 37 H MET 36 H MET 36 3.550 10.392 -4.460 38 HA MET 36 HA MET 36 1.288 10.785 -6.353 39 HB2 MET 36 1HB MET 36 1.479 12.008 -3.573 40 HB3 MET 36 2HB MET 36 0.274 12.427 -4.782 41 HG2 MET 36 1HG MET 36 -0.712 10.236 -4.669 42 HG3 MET 36 2HG MET 36 0.604 9.634 -3.658 43 HE1 MET 36 1HE MET 36 -0.028 11.182 -0.208 44 HE2 MET 36 2HE MET 36 0.777 9.893 -1.136 45 HE3 MET 36 3HE MET 36 1.185 11.599 -1.442 46 H ASP 37 H ASP 37 1.046 13.013 -7.089 47 HA ASP 37 HA ASP 37 3.656 14.406 -7.221 48 HB2 ASP 37 1HB ASP 37 1.022 14.875 -8.673 49 HB3 ASP 37 2HB ASP 37 2.455 15.871 -8.885 50 H HIS 38 H HIS 38 3.966 16.549 -6.631 51 HA HIS 38 HA HIS 38 2.596 17.455 -4.285 52 HB2 HIS 38 1HB HIS 38 4.957 18.073 -5.130 53 HB3 HIS 38 2HB HIS 38 4.152 19.241 -6.169 54 HD2 HIS 38 HD2 HIS 38 5.272 18.866 -2.500 55 HE1 HIS 38 HE1 HIS 38 3.021 22.473 -2.794 56 HE2 HIS 38 HE2 HIS 38 4.553 21.071 -1.316 57 HA PRO 39 HA PRO 39 -1.114 19.050 -5.786 58 HB2 PRO 39 1HB PRO 39 -0.626 21.139 -3.619 59 HB3 PRO 39 2HB PRO 39 -2.103 20.230 -3.967 60 HG2 PRO 39 1HG PRO 39 -0.599 19.424 -1.933 61 HG3 PRO 39 2HG PRO 39 -1.247 18.208 -3.037 62 HD2 PRO 39 1HD PRO 39 1.550 19.399 -2.922 63 HD3 PRO 39 2HD PRO 39 1.051 17.682 -3.197 64 H THR 40 H THR 40 1.638 21.209 -5.153 65 HA THR 40 HA THR 40 0.529 23.138 -7.151 66 HB THR 40 HB THR 40 2.280 23.719 -4.720 67 HG1 THR 40 HG1 THR 40 -0.435 24.383 -5.327 68 HG21 THR 40 1HG2 THR 40 1.969 26.080 -5.352 69 HG22 THR 40 2HG2 THR 40 2.804 25.182 -6.642 70 HG23 THR 40 3HG2 THR 40 1.078 25.578 -6.808 71 H MET 41 H MET 10 3.538 21.783 -5.771 72 HA MET 41 HA MET 10 5.196 23.298 -7.585 73 HB2 MET 41 1HB MET 10 5.800 20.952 -5.749 74 HB3 MET 41 2HB MET 10 7.027 21.812 -6.666 75 HG2 MET 41 1HG MET 10 6.493 23.888 -5.469 76 HG3 MET 41 2HG MET 10 5.222 23.055 -4.571 77 HE1 MET 41 1HE MET 10 7.844 23.528 -1.751 78 HE2 MET 41 2HE MET 10 7.378 24.674 -3.031 79 HE3 MET 41 3HE MET 10 6.137 23.684 -2.228 80 HA PRO 42 HA PRO 42 4.748 20.608 -10.961 81 HB2 PRO 42 1HB PRO 42 6.408 21.881 -12.727 82 HB3 PRO 42 2HB PRO 42 4.860 22.579 -12.229 83 HG2 PRO 42 1HG PRO 42 7.653 23.158 -11.147 84 HG3 PRO 42 2HG PRO 42 6.416 24.313 -11.651 85 HD2 PRO 42 1HD PRO 42 6.751 23.652 -9.029 86 HD3 PRO 42 2HD PRO 42 5.111 23.997 -9.713 87 H ASP 43 H ASP 43 7.666 21.155 -9.213 88 HA ASP 43 HA ASP 43 9.034 18.942 -10.686 89 HB2 ASP 43 1HB ASP 43 10.302 21.398 -9.407 90 HB3 ASP 43 2HB ASP 43 11.184 20.065 -10.135 91 H THR 44 H THR 44 7.285 18.739 -8.374 92 HA THR 44 HA THR 44 9.213 17.406 -6.569 93 HB THR 44 HB THR 44 7.126 19.383 -5.554 94 HG1 THR 44 HG1 THR 44 9.862 19.547 -6.092 95 HG21 THR 44 1HG2 THR 44 8.111 18.900 -3.347 96 HG22 THR 44 2HG2 THR 44 7.432 17.426 -4.077 97 HG23 THR 44 3HG2 THR 44 9.191 17.697 -4.088 98 H GLN 45 H GLN 45 8.503 15.541 -5.739 99 HA GLN 45 HA GLN 45 5.583 14.959 -6.008 100 HB2 GLN 45 1HB GLN 45 7.933 13.079 -6.470 101 HB3 GLN 45 2HB GLN 45 6.259 12.556 -6.362 102 HG2 GLN 45 1HG GLN 45 5.713 13.999 -8.309 103 HG3 GLN 45 2HG GLN 45 7.451 14.391 -8.446 104 HE21 GLN 45 1HE2 GLN 45 5.932 10.925 -9.917 105 HE22 GLN 45 2HE2 GLN 45 4.946 12.112 -9.128 106 H VAL 46 H VAL 46 4.953 13.020 -4.612 107 HA VAL 46 HA VAL 46 6.279 13.335 -1.952 108 HB VAL 46 HB VAL 46 3.295 13.094 -2.530 109 HG11 VAL 46 1HG1 VAL 46 3.009 13.407 -0.121 110 HG12 VAL 46 2HG1 VAL 46 3.911 11.921 -0.497 111 HG13 VAL 46 3HG1 VAL 46 4.774 13.362 0.095 112 HG21 VAL 46 1HG2 VAL 46 3.196 15.387 -1.605 113 HG22 VAL 46 2HG2 VAL 46 4.968 15.397 -1.442 114 HG23 VAL 46 3HG2 VAL 46 4.223 15.323 -3.057 115 H VAL 47 H VAL 47 6.701 11.530 -0.829 116 HA VAL 47 HA VAL 47 5.408 8.999 -1.737 117 HB VAL 47 HB VAL 47 7.711 9.042 -2.604 118 HG11 VAL 47 1HG1 VAL 47 9.632 9.148 -1.094 119 HG12 VAL 47 2HG1 VAL 47 8.670 10.644 -1.053 120 HG13 VAL 47 3HG1 VAL 47 8.540 9.463 0.273 121 HG21 VAL 47 1HG2 VAL 47 8.530 6.968 -1.531 122 HG22 VAL 47 2HG2 VAL 47 7.397 7.222 -0.183 123 HG23 VAL 47 3HG2 VAL 47 6.775 6.894 -1.818 124 H VAL 48 H VAL 48 4.782 7.598 -0.169 125 HA VAL 48 HA VAL 48 5.154 8.568 2.633 126 HB VAL 48 HB VAL 48 2.861 6.931 1.467 127 HG11 VAL 48 1HG1 VAL 48 1.770 7.331 3.620 128 HG12 VAL 48 2HG1 VAL 48 3.280 6.408 3.799 129 HG13 VAL 48 3HG1 VAL 48 3.240 8.138 4.213 130 HG21 VAL 48 1HG2 VAL 48 1.537 8.997 1.796 131 HG22 VAL 48 2HG2 VAL 48 3.005 9.850 2.328 132 HG23 VAL 48 3HG2 VAL 48 2.875 9.264 0.652 133 H ILE 49 H ILE 49 6.260 7.323 3.966 134 HA ILE 49 HA ILE 49 6.509 4.422 3.284 135 HB ILE 49 HB ILE 49 8.611 6.213 4.573 136 HG12 ILE 49 1HG1 ILE 49 9.710 5.226 2.281 137 HG13 ILE 49 2HG1 ILE 49 8.044 5.462 1.777 138 HG21 ILE 49 1HG2 ILE 49 10.065 4.238 4.363 139 HG22 ILE 49 2HG2 ILE 49 8.666 3.894 5.405 140 HG23 ILE 49 3HG2 ILE 49 8.697 3.292 3.731 141 HD11 ILE 49 1HD1 ILE 49 9.393 7.429 1.303 142 HD12 ILE 49 2HD1 ILE 49 8.143 7.805 2.512 143 HD13 ILE 49 3HD1 ILE 49 9.831 7.566 3.020 144 HA PRO 50 HA PRO 50 4.663 4.209 7.281 145 HB2 PRO 50 1HB PRO 50 3.928 1.586 7.212 146 HB3 PRO 50 2HB PRO 50 3.096 2.801 6.232 147 HG2 PRO 50 1HG PRO 50 5.321 0.883 5.414 148 HG3 PRO 50 2HG PRO 50 3.797 1.203 4.585 149 HD2 PRO 50 1HD PRO 50 6.128 2.443 3.859 150 HD3 PRO 50 2HD PRO 50 4.522 3.262 3.719 151 H LYS 51 H LYS 51 4.935 2.674 9.226 152 HA LYS 51 HA LYS 51 7.739 2.692 9.852 153 HB2 LYS 51 1HB LYS 51 5.941 3.106 11.526 154 HB3 LYS 51 2HB LYS 51 5.427 1.431 11.381 155 HG2 LYS 51 1HG LYS 51 7.570 0.659 12.269 156 HG3 LYS 51 2HG LYS 51 8.160 2.326 12.345 157 HD2 LYS 51 1HD LYS 51 6.356 2.895 13.940 158 HD3 LYS 51 2HD LYS 51 5.762 1.230 13.862 159 HE2 LYS 51 1HE LYS 51 7.926 0.416 14.743 160 HE3 LYS 51 2HE LYS 51 8.521 2.077 14.822 161 HZ1 LYS 51 1HZ LYS 51 7.713 1.326 16.937 162 HZ2 LYS 51 2HZ LYS 51 6.772 2.566 16.391 163 HZ3 LYS 51 3HZ LYS 51 6.217 1.014 16.317 164 H SER 52 H SER 52 9.250 1.163 9.881 165 HA SER 52 HA SER 52 10.142 -0.996 9.973 166 HB2 SER 52 1HB SER 52 8.830 -2.869 10.281 167 HB3 SER 52 2HB SER 52 7.759 -1.613 10.881 168 HG SER 52 HG SER 52 6.498 -1.867 9.263 169 H ALA 53 H ALA 53 8.418 0.487 7.482 170 HA ALA 53 HA ALA 53 8.936 -1.409 5.374 171 HB1 ALA 53 1HB ALA 53 8.421 0.482 3.865 172 HB2 ALA 53 2HB ALA 53 7.212 0.325 5.162 173 HB3 ALA 53 3HB ALA 53 8.457 1.591 5.256 174 H ASP 54 H ASP 54 10.489 -1.395 3.757 175 HA ASP 54 HA ASP 54 13.120 -0.496 4.623 176 HB2 ASP 54 1HB ASP 54 12.774 -2.634 3.393 177 HB3 ASP 54 2HB ASP 54 12.233 -1.733 1.983 178 H LEU 55 H LEU 55 12.712 1.788 4.757 179 HA LEU 55 HA LEU 55 11.776 3.438 2.716 180 HB2 LEU 55 1HB LEU 55 12.354 4.151 5.038 181 HB3 LEU 55 2HB LEU 55 14.067 4.049 4.620 182 HG LEU 55 HG LEU 55 12.266 5.841 3.005 183 HD11 LEU 55 1HD1 LEU 55 12.685 7.656 4.604 184 HD12 LEU 55 2HD1 LEU 55 11.727 6.346 5.333 185 HD13 LEU 55 3HD1 LEU 55 13.458 6.500 5.714 186 HD21 LEU 55 1HD2 LEU 55 14.373 7.118 2.826 187 HD22 LEU 55 2HD2 LEU 55 15.172 5.955 3.911 188 HD23 LEU 55 3HD2 LEU 55 14.602 5.430 2.309 189 H GLN 56 H GLN 56 15.052 2.135 3.169 190 HA GLN 56 HA GLN 56 16.367 3.773 1.276 191 HB2 GLN 56 1HB GLN 56 17.511 2.300 2.939 192 HB3 GLN 56 2HB GLN 56 17.008 0.890 2.018 193 HG2 GLN 56 1HG GLN 56 19.288 1.386 1.504 194 HG3 GLN 56 2HG GLN 56 18.290 1.752 0.068 195 HE21 GLN 56 1HE2 GLN 56 20.154 4.719 -0.112 196 HE22 GLN 56 2HE2 GLN 56 19.875 3.144 -0.780 197 H SER 57 H SER 57 14.844 0.571 0.859 198 HA SER 57 HA SER 57 15.451 0.344 -1.927 199 HB2 SER 57 1HB SER 57 13.298 -0.887 -0.186 200 HB3 SER 57 2HB SER 57 13.491 -1.288 -1.886 201 HG SER 57 HG SER 57 14.940 -2.022 0.269 202 H VAL 58 H VAL 58 12.746 1.789 -0.158 203 HA VAL 58 HA VAL 58 10.999 2.153 -2.368 204 HB VAL 58 HB VAL 58 11.339 3.762 0.196 205 HG11 VAL 58 1HG1 VAL 58 9.114 4.676 -0.251 206 HG12 VAL 58 2HG1 VAL 58 10.294 5.156 -1.492 207 HG13 VAL 58 3HG1 VAL 58 9.106 3.876 -1.841 208 HG21 VAL 58 1HG2 VAL 58 9.337 2.486 0.898 209 HG22 VAL 58 2HG2 VAL 58 9.346 1.622 -0.657 210 HG23 VAL 58 3HG2 VAL 58 10.685 1.398 0.494 211 H ILE 59 H ILE 59 13.458 4.330 -0.953 212 HA ILE 59 HA ILE 59 12.911 6.436 -2.868 213 HB ILE 59 HB ILE 59 14.887 7.546 -1.890 214 HG12 ILE 59 1HG1 ILE 59 15.324 4.986 -0.338 215 HG13 ILE 59 2HG1 ILE 59 16.279 5.491 -1.722 216 HG21 ILE 59 1HG2 ILE 59 14.124 7.642 0.448 217 HG22 ILE 59 2HG2 ILE 59 12.745 7.660 -0.675 218 HG23 ILE 59 3HG2 ILE 59 13.160 6.167 0.198 219 HD11 ILE 59 1HD1 ILE 59 17.409 6.024 0.363 220 HD12 ILE 59 2HD1 ILE 59 16.983 7.512 -0.515 221 HD13 ILE 59 3HD1 ILE 59 16.018 6.999 0.888 222 H SER 60 H SER 60 15.037 3.670 -2.732 223 HA SER 60 HA SER 60 16.918 4.494 -4.718 224 HB2 SER 60 1HB SER 60 15.934 1.738 -3.913 225 HB3 SER 60 2HB SER 60 17.283 2.021 -5.001 226 HG SER 60 HG SER 60 17.023 2.882 -2.335 227 H VAL 61 H VAL 61 13.851 2.681 -4.955 228 HA VAL 61 HA VAL 61 13.919 2.362 -7.795 229 HB VAL 61 HB VAL 61 11.590 2.491 -5.836 230 HG11 VAL 61 1HG1 VAL 61 10.236 1.476 -7.604 231 HG12 VAL 61 2HG1 VAL 61 10.812 3.097 -8.054 232 HG13 VAL 61 3HG1 VAL 61 11.592 1.654 -8.743 233 HG21 VAL 61 1HG2 VAL 61 11.612 0.033 -6.124 234 HG22 VAL 61 2HG2 VAL 61 13.011 0.175 -7.213 235 HG23 VAL 61 3HG2 VAL 61 13.170 0.621 -5.498 236 H LEU 62 H LEU 62 12.456 4.855 -5.698 237 HA LEU 62 HA LEU 62 11.262 6.328 -7.849 238 HB2 LEU 62 1HB LEU 62 12.073 7.141 -5.039 239 HB3 LEU 62 2HB LEU 62 11.177 8.190 -6.142 240 HG LEU 62 HG LEU 62 10.198 5.501 -5.120 241 HD11 LEU 62 1HD1 LEU 62 8.673 6.846 -3.744 242 HD12 LEU 62 2HD1 LEU 62 10.377 7.154 -3.332 243 HD13 LEU 62 3HD1 LEU 62 9.470 8.331 -4.312 244 HD21 LEU 62 1HD2 LEU 62 8.054 6.244 -6.100 245 HD22 LEU 62 2HD2 LEU 62 8.840 7.721 -6.703 246 HD23 LEU 62 3HD2 LEU 62 9.322 6.132 -7.344 247 H THR 63 H THR 63 14.422 6.463 -6.265 248 HA THR 63 HA THR 63 15.321 8.898 -7.439 249 HB THR 63 HB THR 63 16.887 6.447 -6.530 250 HG1 THR 63 HG1 THR 63 15.739 7.556 -4.883 251 HG21 THR 63 1HG2 THR 63 18.837 7.952 -6.490 252 HG22 THR 63 2HG2 THR 63 18.190 7.793 -8.140 253 HG23 THR 63 3HG2 THR 63 17.850 9.257 -7.190 254 H ALA 64 H ALA 64 15.589 5.515 -8.534 255 HA ALA 64 HA ALA 64 17.178 5.988 -10.812 256 HB1 ALA 64 1HB ALA 64 16.235 3.874 -11.683 257 HB2 ALA 64 2HB ALA 64 16.684 3.739 -9.966 258 HB3 ALA 64 3HB ALA 64 14.976 3.930 -10.428 259 H LYS 65 H LYS 65 13.622 6.006 -10.501 260 HA LYS 65 HA LYS 65 13.275 6.693 -13.312 261 HB2 LYS 65 1HB LYS 65 11.355 6.565 -10.957 262 HB3 LYS 65 2HB LYS 65 10.854 7.023 -12.579 263 HG2 LYS 65 1HG LYS 65 12.078 4.364 -11.780 264 HG3 LYS 65 2HG LYS 65 10.371 4.674 -12.128 265 HD2 LYS 65 1HD LYS 65 10.870 5.209 -14.439 266 HD3 LYS 65 2HD LYS 65 12.610 5.147 -14.127 267 HE2 LYS 65 1HE LYS 65 12.363 2.727 -13.513 268 HE3 LYS 65 2HE LYS 65 10.663 2.818 -13.975 269 HZ1 LYS 65 1HZ LYS 65 12.013 1.972 -15.749 270 HZ2 LYS 65 2HZ LYS 65 11.355 3.418 -16.192 271 HZ3 LYS 65 3HZ LYS 65 12.946 3.331 -15.761 272 H GLY 66 H GLY 66 13.380 8.421 -10.242 273 HA2 GLY 66 1HA GLY 66 12.425 10.950 -11.127 274 HA3 GLY 66 2HA GLY 66 13.532 10.689 -9.792 275 H LYS 67 H LYS 67 15.575 9.356 -11.415 276 HA LYS 67 HA LYS 67 16.819 11.773 -12.544 277 HB2 LYS 67 1HB LYS 67 18.055 10.137 -11.055 278 HB3 LYS 67 2HB LYS 67 17.949 8.955 -12.352 279 HG2 LYS 67 1HG LYS 67 19.169 10.618 -13.832 280 HG3 LYS 67 2HG LYS 67 19.442 11.586 -12.377 281 HD2 LYS 67 1HD LYS 67 20.243 8.665 -12.624 282 HD3 LYS 67 2HD LYS 67 21.329 10.016 -12.989 283 HE2 LYS 67 1HE LYS 67 20.957 10.874 -10.659 284 HE3 LYS 67 2HE LYS 67 20.006 9.426 -10.316 285 HZ1 LYS 67 1HZ LYS 67 22.268 9.185 -9.599 286 HZ2 LYS 67 2HZ LYS 67 21.948 8.105 -10.804 287 HZ3 LYS 67 3HZ LYS 67 22.838 9.458 -11.123 288 H GLU 68 H GLU 68 15.636 8.615 -13.637 289 HA GLU 68 HA GLU 68 16.728 8.636 -16.233 290 HB2 GLU 68 1HB GLU 68 15.598 6.679 -15.216 291 HB3 GLU 68 2HB GLU 68 14.051 7.507 -15.312 292 HG2 GLU 68 1HG GLU 68 14.234 7.551 -17.774 293 HG3 GLU 68 2HG GLU 68 15.771 6.696 -17.666 294 H ALA 69 H ALA 69 13.601 9.930 -15.093 295 HA ALA 69 HA ALA 69 13.429 11.418 -17.675 296 HB1 ALA 69 1HB ALA 69 10.986 11.503 -17.289 297 HB2 ALA 69 2HB ALA 69 11.582 9.829 -17.373 298 HB3 ALA 69 3HB ALA 69 11.197 10.559 -15.797 299 H GLY 70 H GLY 70 11.688 11.903 -14.615 300 HA2 GLY 70 1HA GLY 70 11.715 13.678 -13.114 301 HA3 GLY 70 2HA GLY 70 13.279 14.147 -13.755 302 HA PRO 71 HA PRO 71 10.136 17.162 -15.334 303 HB2 PRO 71 1HB PRO 71 10.642 19.333 -13.796 304 HB3 PRO 71 2HB PRO 71 9.590 18.037 -13.209 305 HG2 PRO 71 1HG PRO 71 12.537 18.529 -12.608 306 HG3 PRO 71 2HG PRO 71 11.235 18.159 -11.475 307 HD2 PRO 71 1HD PRO 71 12.939 16.232 -12.478 308 HD3 PRO 71 2HD PRO 71 11.235 15.878 -11.984 309 H GLN 72 H GLN 72 10.930 19.723 -15.767 310 HA GLN 72 HA GLN 72 13.158 19.619 -17.528 311 HB2 GLN 72 1HB GLN 72 11.797 21.954 -16.134 312 HB3 GLN 72 2HB GLN 72 13.073 22.161 -17.323 313 HG2 GLN 72 1HG GLN 72 11.716 21.070 -19.025 314 HG3 GLN 72 2HG GLN 72 10.430 20.778 -17.822 315 HE21 GLN 72 1HE2 GLN 72 9.783 23.867 -19.922 316 HE22 GLN 72 2HE2 GLN 72 10.245 22.247 -20.330 317 H GLY 73 H GLY 73 12.908 20.410 -14.095 318 HA2 GLY 73 1HA GLY 73 15.875 20.783 -14.010 319 HA3 GLY 73 2HA GLY 73 14.750 21.349 -12.789 320 H ARG 74 H ARG 74 15.564 20.290 -11.027 321 HA ARG 74 HA ARG 74 16.116 17.407 -11.162 322 HB2 ARG 74 1HB ARG 74 16.259 19.406 -8.882 323 HB3 ARG 74 2HB ARG 74 16.675 17.707 -8.728 324 HG2 ARG 74 1HG ARG 74 18.441 18.026 -10.462 325 HG3 ARG 74 2HG ARG 74 18.062 19.766 -10.458 326 HD2 ARG 74 1HD ARG 74 18.811 18.230 -7.989 327 HD3 ARG 74 2HD ARG 74 19.991 19.052 -9.037 328 HE ARG 74 HE ARG 74 18.244 21.038 -8.536 329 HH11 ARG 74 1HH1 ARG 74 19.804 18.719 -6.407 330 HH12 ARG 74 2HH1 ARG 74 19.822 19.804 -5.035 331 HH21 ARG 74 1HH2 ARG 74 18.274 22.436 -6.746 332 HH22 ARG 74 2HH2 ARG 74 18.957 21.907 -5.227 333 H ASN 75 H ASN 75 14.980 15.789 -10.181 334 HA ASN 75 HA ASN 75 12.257 16.478 -9.233 335 HB2 ASN 75 1HB ASN 75 12.632 14.636 -10.906 336 HB3 ASN 75 2HB ASN 75 13.501 13.744 -9.663 337 HD21 ASN 75 1HD2 ASN 75 9.838 12.821 -9.867 338 HD22 ASN 75 2HD2 ASN 75 11.049 13.059 -11.082 339 H LYS 76 H LYS 76 11.948 16.922 -7.196 340 HA LYS 76 HA LYS 76 13.517 15.372 -5.179 341 HB2 LYS 76 1HB LYS 76 12.124 18.069 -4.988 342 HB3 LYS 76 2HB LYS 76 12.734 17.199 -3.587 343 HG2 LYS 76 1HG LYS 76 15.019 17.274 -4.548 344 HG3 LYS 76 2HG LYS 76 14.391 18.195 -5.923 345 HD2 LYS 76 1HD LYS 76 13.698 20.013 -4.455 346 HD3 LYS 76 2HD LYS 76 14.150 19.075 -3.024 347 HE2 LYS 76 1HE LYS 76 16.507 19.088 -3.738 348 HE3 LYS 76 2HE LYS 76 16.072 19.978 -5.200 349 HZ1 LYS 76 1HZ LYS 76 16.907 21.428 -3.499 350 HZ2 LYS 76 2HZ LYS 76 15.326 21.785 -3.806 351 HZ3 LYS 76 3HZ LYS 76 15.732 20.953 -2.443 352 H PHE 77 H PHE 77 12.531 14.129 -3.700 353 HA PHE 77 HA PHE 77 9.550 14.038 -3.795 354 HB2 PHE 77 1HB PHE 77 11.652 11.993 -3.040 355 HB3 PHE 77 2HB PHE 77 9.992 11.823 -2.490 356 HD1 PHE 77 HD1 PHE 77 12.171 11.950 -5.466 357 HD2 PHE 77 HD2 PHE 77 8.254 11.140 -3.969 358 HE1 PHE 77 HE1 PHE 77 11.568 10.897 -7.621 359 HE2 PHE 77 HE2 PHE 77 7.647 10.084 -6.120 360 HZ PHE 77 HZ PHE 77 9.306 9.965 -7.947 361 H ILE 78 H ILE 78 8.325 14.251 -1.964 362 HA ILE 78 HA ILE 78 9.781 14.972 0.530 363 HB ILE 78 HB ILE 78 6.856 15.315 -0.252 364 HG12 ILE 78 1HG1 ILE 78 9.000 17.391 0.245 365 HG13 ILE 78 2HG1 ILE 78 8.516 16.827 -1.346 366 HG21 ILE 78 1HG2 ILE 78 6.637 16.531 1.878 367 HG22 ILE 78 2HG2 ILE 78 7.089 14.833 2.155 368 HG23 ILE 78 3HG2 ILE 78 8.316 16.114 2.295 369 HD11 ILE 78 1HD1 ILE 78 7.430 18.930 -0.794 370 HD12 ILE 78 2HD1 ILE 78 6.227 17.626 -0.949 371 HD13 ILE 78 3HD1 ILE 78 6.717 18.200 0.663 372 H LEU 79 H LEU 79 10.004 13.557 2.107 373 HA LEU 79 HA LEU 79 8.578 10.974 1.806 374 HB2 LEU 79 1HB LEU 79 11.115 11.843 3.193 375 HB3 LEU 79 2HB LEU 79 10.338 10.315 3.613 376 HG LEU 79 HG LEU 79 10.521 9.672 1.159 377 HD11 LEU 79 1HD1 LEU 79 12.161 10.914 -0.180 378 HD12 LEU 79 2HD1 LEU 79 10.767 11.928 0.259 379 HD13 LEU 79 3HD1 LEU 79 12.312 12.118 1.121 380 HD21 LEU 79 1HD2 LEU 79 12.915 9.096 1.379 381 HD22 LEU 79 2HD2 LEU 79 13.077 10.275 2.703 382 HD23 LEU 79 3HD2 LEU 79 12.051 8.837 2.913 383 H LEU 80 H LEU 80 6.854 10.586 2.984 384 HA LEU 80 HA LEU 80 6.592 11.989 5.606 385 HB2 LEU 80 1HB LEU 80 4.431 10.668 3.926 386 HB3 LEU 80 2HB LEU 80 4.190 11.615 5.397 387 HG LEU 80 HG LEU 80 5.218 12.687 2.746 388 HD11 LEU 80 1HD1 LEU 80 3.044 13.826 2.666 389 HD12 LEU 80 2HD1 LEU 80 2.858 12.058 2.686 390 HD13 LEU 80 3HD1 LEU 80 2.557 13.001 4.165 391 HD21 LEU 80 1HD2 LEU 80 4.988 14.886 3.851 392 HD22 LEU 80 2HD2 LEU 80 4.528 14.076 5.368 393 HD23 LEU 80 3HD2 LEU 80 6.166 13.859 4.706 394 H SER 81 H SER 81 6.300 10.895 7.466 395 HA SER 81 HA SER 81 6.901 8.001 7.325 396 HB2 SER 81 1HB SER 81 8.296 9.308 8.801 397 HB3 SER 81 2HB SER 81 6.896 10.006 9.599 398 HG SER 81 HG SER 81 6.484 7.510 9.788 399 H GLY 82 H GLY 82 5.494 6.441 7.728 400 HA2 GLY 82 1HA GLY 82 3.702 5.392 8.875 401 HA3 GLY 82 2HA GLY 82 3.159 6.954 9.462 402 H ASP 83 H ASP 83 1.234 5.350 8.570 403 HA ASP 83 HA ASP 83 0.694 5.808 5.729 404 HB2 ASP 83 1HB ASP 83 -0.030 3.727 6.924 405 HB3 ASP 83 2HB ASP 83 -1.123 4.694 7.903 406 H THR 84 H THR 84 0.033 7.694 4.988 407 HA THR 84 HA THR 84 -1.206 9.585 6.909 408 HB THR 84 HB THR 84 -0.644 11.329 5.257 409 HG1 THR 84 HG1 THR 84 0.906 9.860 3.608 410 HG21 THR 84 1HG2 THR 84 1.812 11.135 5.352 411 HG22 THR 84 2HG2 THR 84 1.074 10.651 6.899 412 HG23 THR 84 3HG2 THR 84 1.663 9.412 5.768 413 H SER 85 H SER 85 -2.344 7.296 4.951 414 HA SER 85 HA SER 85 -4.309 8.740 3.401 415 HB2 SER 85 1HB SER 85 -3.595 6.509 2.749 416 HB3 SER 85 2HB SER 85 -4.145 5.840 4.278 417 HG SER 85 HG SER 85 -5.866 5.518 3.195 418 H ALA 569 1H ALA 569 8.408 25.311 4.125 419 HA ALA 569 HA ALA 569 10.337 24.634 5.304 420 HB1 ALA 569 1HB ALA 569 11.747 24.182 3.322 421 HB2 ALA 569 2HB ALA 569 10.025 23.886 2.988 422 HB3 ALA 569 3HB ALA 569 10.806 25.369 2.392 423 H GLN 570 H GLN 570 12.762 24.886 5.291 424 HA GLN 570 HA GLN 570 13.323 27.381 6.557 425 HB2 GLN 570 1HB GLN 570 14.524 25.339 7.164 426 HB3 GLN 570 2HB GLN 570 15.189 25.201 5.542 427 HG2 GLN 570 1HG GLN 570 16.886 26.046 6.984 428 HG3 GLN 570 2HG GLN 570 16.373 27.373 5.904 429 HE21 GLN 570 1HE2 GLN 570 15.868 29.522 8.563 430 HE22 GLN 570 2HE2 GLN 570 16.397 29.250 6.936 431 H ALA 571 H ALA 571 13.941 29.278 5.821 432 HA ALA 571 HA ALA 571 14.472 29.557 2.939 433 HB1 ALA 571 1HB ALA 571 14.363 31.984 3.400 434 HB2 ALA 571 2HB ALA 571 12.929 31.132 4.018 435 HB3 ALA 571 3HB ALA 571 14.214 31.639 5.139 436 H GLY 572 H GLY 572 16.262 30.752 2.096 437 HA2 GLY 572 1HA GLY 572 18.354 32.012 2.825 438 HA3 GLY 572 2HA GLY 572 18.684 30.636 3.859 439 H ALA 573 H ALA 573 17.294 29.122 1.399 440 HA ALA 573 HA ALA 573 19.376 29.289 -0.630 441 HB1 ALA 573 1HB ALA 573 20.142 26.950 -0.389 442 HB2 ALA 573 2HB ALA 573 20.545 27.926 1.043 443 HB3 ALA 573 3HB ALA 573 19.173 26.794 1.095 444 H ALA 574 H ALA 574 18.967 27.946 -2.480 445 HA ALA 574 HA ALA 574 16.240 27.539 -3.140 446 HB1 ALA 574 1HB ALA 574 17.105 26.218 -5.045 447 HB2 ALA 574 2HB ALA 574 18.007 27.738 -4.833 448 HB3 ALA 574 3HB ALA 574 18.716 26.201 -4.290 449 H ASN 575 H ASN 575 18.624 25.401 -1.655 450 HA ASN 575 HA ASN 575 16.798 23.100 -1.819 451 HB2 ASN 575 1HB ASN 575 19.537 23.437 -0.556 452 HB3 ASN 575 2HB ASN 575 18.633 21.929 -0.578 453 HD21 ASN 575 1HD2 ASN 575 21.068 22.517 -3.516 454 HD22 ASN 575 2HD2 ASN 575 21.202 23.029 -1.867 455 H ARG 576 H ARG 576 15.135 24.400 -0.628 456 HA ARG 576 HA ARG 576 15.622 25.044 2.149 457 HB2 ARG 576 1HB ARG 576 12.969 24.743 0.701 458 HB3 ARG 576 2HB ARG 576 13.236 25.560 2.234 459 HG2 ARG 576 1HG ARG 576 14.583 27.269 1.124 460 HG3 ARG 576 2HG ARG 576 14.385 26.426 -0.432 461 HD2 ARG 576 1HD ARG 576 12.825 28.173 -0.404 462 HD3 ARG 576 2HD ARG 576 11.910 26.677 -0.107 463 HE ARG 576 HE ARG 576 12.436 27.535 2.406 464 HH11 ARG 576 1HH1 ARG 576 11.121 29.150 -0.423 465 HH12 ARG 576 2HH1 ARG 576 10.133 30.252 0.510 466 HH21 ARG 576 1HH2 ARG 576 11.150 28.971 3.607 467 HH22 ARG 576 2HH2 ARG 576 10.149 30.152 2.791 468 H SER 577 H SER 577 15.372 23.871 3.930 469 HA SER 577 HA SER 577 14.688 21.025 3.586 470 HB2 SER 577 1HB SER 577 15.591 20.735 5.802 471 HB3 SER 577 2HB SER 577 16.694 21.740 4.877 472 HG SER 577 HG SER 577 15.203 22.303 7.071 473 H LEU 578 H LEU 578 13.276 19.915 5.089 474 HA LEU 578 HA LEU 578 10.847 21.554 5.563 475 HB2 LEU 578 1HB LEU 578 11.226 18.539 5.562 476 HB3 LEU 578 2HB LEU 578 9.685 19.386 5.728 477 HG LEU 578 HG LEU 578 11.464 19.490 3.265 478 HD11 LEU 578 1HD1 LEU 578 9.762 18.036 2.259 479 HD12 LEU 578 2HD1 LEU 578 10.559 17.254 3.645 480 HD13 LEU 578 3HD1 LEU 578 8.925 17.932 3.825 481 HD21 LEU 578 1HD2 LEU 578 9.472 20.529 2.237 482 HD22 LEU 578 2HD2 LEU 578 8.628 20.461 3.804 483 HD23 LEU 578 3HD2 LEU 578 10.062 21.498 3.609 484 H THR 579 H THR 579 9.804 21.683 7.527 485 HA THR 579 HA THR 579 11.216 21.014 9.953 486 HB THR 579 HB THR 579 8.265 21.651 9.519 487 HG1 THR 579 HG1 THR 579 10.014 23.485 10.664 488 HG21 THR 579 1HG2 THR 579 8.279 22.208 11.919 489 HG22 THR 579 2HG2 THR 579 8.696 20.497 11.661 490 HG23 THR 579 3HG2 THR 579 9.973 21.678 12.037 491 H GLU 580 H GLU 580 8.612 19.465 8.096 492 HA GLU 580 HA GLU 580 9.105 17.004 9.716 493 HB2 GLU 580 1HB GLU 580 6.427 18.020 8.677 494 HB3 GLU 580 2HB GLU 580 6.685 16.449 9.424 495 HG2 GLU 580 1HG GLU 580 7.405 17.583 11.508 496 HG3 GLU 580 2HG GLU 580 7.074 19.139 10.752 497 H GLY 581 H GLY 581 9.596 15.245 8.607 498 HA2 GLY 581 1HA GLY 581 9.459 13.735 6.757 499 HA3 GLY 581 2HA GLY 581 8.800 15.018 5.759 500 H PHE 582 H PHE 582 10.795 13.462 4.747 501 HA PHE 582 HA PHE 582 13.276 15.096 5.033 502 HB2 PHE 582 1HB PHE 582 12.940 12.279 3.926 503 HB3 PHE 582 2HB PHE 582 14.461 13.141 4.097 504 HD1 PHE 582 HD1 PHE 582 13.670 14.411 6.839 505 HD2 PHE 582 HD2 PHE 582 13.599 10.428 5.296 506 HE1 PHE 582 HE1 PHE 582 13.921 13.520 9.131 507 HE2 PHE 582 HE2 PHE 582 13.847 9.533 7.587 508 HZ PHE 582 HZ PHE 582 14.010 11.081 9.505 509 H VAL 583 H VAL 583 14.586 15.374 3.073 510 HA VAL 583 HA VAL 583 12.844 15.653 0.658 511 HB VAL 583 HB VAL 583 15.259 17.326 1.471 512 HG11 VAL 583 1HG1 VAL 583 14.672 18.729 -0.446 513 HG12 VAL 583 2HG1 VAL 583 15.103 17.074 -0.938 514 HG13 VAL 583 3HG1 VAL 583 13.395 17.576 -0.898 515 HG21 VAL 583 1HG2 VAL 583 13.593 19.134 1.751 516 HG22 VAL 583 2HG2 VAL 583 12.287 17.986 1.370 517 HG23 VAL 583 3HG2 VAL 583 13.257 17.774 2.848 518 H LEU 584 H LEU 584 13.334 14.351 -0.957 519 HA LEU 584 HA LEU 584 16.017 13.066 -0.945 520 HB2 LEU 584 1HB LEU 584 14.150 11.518 -0.839 521 HB3 LEU 584 2HB LEU 584 13.386 12.274 -2.240 522 HG LEU 584 HG LEU 584 15.369 11.513 -3.619 523 HD11 LEU 584 1HD1 LEU 584 16.762 9.727 -2.671 524 HD12 LEU 584 2HD1 LEU 584 16.959 11.256 -1.782 525 HD13 LEU 584 3HD1 LEU 584 15.970 9.945 -1.093 526 HD21 LEU 584 1HD2 LEU 584 14.556 9.182 -3.736 527 HD22 LEU 584 2HD2 LEU 584 13.731 9.391 -2.171 528 HD23 LEU 584 3HD2 LEU 584 13.201 10.327 -3.590 529 H ASP 585 H ASP 585 17.484 13.839 -2.278 530 HA ASP 585 HA ASP 585 16.620 15.192 -4.769 531 HB2 ASP 585 1HB ASP 585 18.327 16.308 -3.375 532 HB3 ASP 585 2HB ASP 585 19.372 14.899 -3.499 533 H THR 586 H THR 586 16.191 13.877 -6.408 534 HA THR 586 HA THR 586 17.401 11.212 -6.478 535 HB THR 586 HB THR 586 15.884 10.808 -8.384 536 HG1 THR 586 HG1 THR 586 15.276 13.586 -8.094 537 HG21 THR 586 1HG2 THR 586 13.743 11.180 -7.224 538 HG22 THR 586 2HG2 THR 586 14.987 10.602 -6.091 539 HG23 THR 586 3HG2 THR 586 14.535 12.322 -6.116 540 H MET 587 H MET 587 18.355 14.211 -7.550 541 HA MET 587 HA MET 587 19.588 13.217 -10.049 542 HB2 MET 587 1HB MET 587 18.474 15.484 -9.906 543 HB3 MET 587 2HB MET 587 19.746 15.987 -8.802 544 HG2 MET 587 1HG MET 587 20.241 16.784 -11.021 545 HG3 MET 587 2HG MET 587 21.430 15.558 -10.572 546 HE1 MET 587 1HE MET 587 18.010 14.997 -13.628 547 HE2 MET 587 2HE MET 587 17.692 15.287 -11.900 548 HE3 MET 587 3HE MET 587 18.473 16.547 -12.885 549 H ASN 588 H ASN 588 20.492 14.368 -6.821 550 HA ASN 588 HA ASN 588 23.326 13.687 -7.446 551 HB2 ASN 588 1HB ASN 588 22.083 15.364 -5.248 552 HB3 ASN 588 2HB ASN 588 23.780 14.904 -5.273 553 HD21 ASN 588 1HD2 ASN 588 22.436 17.985 -7.480 554 HD22 ASN 588 2HD2 ASN 588 21.431 17.084 -6.396 555 H ASP 589 H ASP 589 20.759 12.068 -6.469 556 HA ASP 589 HA ASP 589 20.452 10.154 -5.220 557 HB2 ASP 589 1HB ASP 589 23.462 9.981 -5.653 558 HB3 ASP 589 2HB ASP 589 22.474 8.665 -5.030 559 H SER 590 H SER 590 20.304 12.234 -3.584 560 HA SER 590 HA SER 590 21.728 11.317 -1.148 561 HB2 SER 590 1HB SER 590 23.126 13.104 -2.056 562 HB3 SER 590 2HB SER 590 21.733 14.167 -2.193 563 HG SER 590 HG SER 590 22.151 13.018 0.266 564 H LEU 591 H LEU 591 20.392 11.130 0.499 565 HA LEU 591 HA LEU 591 17.802 12.582 0.395 566 HB2 LEU 591 1HB LEU 591 17.669 10.168 0.738 567 HB3 LEU 591 2HB LEU 591 18.764 10.272 2.120 568 HG LEU 591 HG LEU 591 17.034 11.627 3.326 569 HD11 LEU 591 1HD1 LEU 591 14.752 11.660 2.420 570 HD12 LEU 591 2HD1 LEU 591 15.891 12.530 1.367 571 HD13 LEU 591 3HD1 LEU 591 15.337 10.898 0.923 572 HD21 LEU 591 1HD2 LEU 591 15.555 9.696 3.762 573 HD22 LEU 591 2HD2 LEU 591 16.150 8.905 2.282 574 HD23 LEU 591 3HD2 LEU 591 17.257 9.187 3.648 575 H SER 592 H SER 592 17.523 14.367 1.512 576 HA SER 592 HA SER 592 19.487 15.036 3.629 577 HB2 SER 592 1HB SER 592 19.146 16.732 1.941 578 HB3 SER 592 2HB SER 592 17.404 16.672 2.153 579 HG SER 592 HG SER 592 18.188 17.101 4.495 580 H LYS 593 H LYS 593 19.052 14.879 5.706 581 HA LYS 593 HA LYS 593 16.184 14.595 6.502 582 HB2 LYS 593 1HB LYS 593 18.677 13.433 7.812 583 HB3 LYS 593 2HB LYS 593 17.042 13.283 8.444 584 HG2 LYS 593 1HG LYS 593 16.388 12.060 6.370 585 HG3 LYS 593 2HG LYS 593 18.071 12.143 5.831 586 HD2 LYS 593 1HD LYS 593 18.777 10.924 7.874 587 HD3 LYS 593 2HD LYS 593 17.087 10.824 8.387 588 HE2 LYS 593 1HE LYS 593 16.537 9.536 6.355 589 HE3 LYS 593 2HE LYS 593 18.215 9.651 5.819 590 HZ1 LYS 593 1HZ LYS 593 17.774 7.567 6.891 591 HZ2 LYS 593 2HZ LYS 593 18.865 8.429 7.779 592 HZ3 LYS 593 3HZ LYS 593 17.297 8.319 8.279 Start of MODEL 5 1 H GLY 32 1H GLY 32 0.396 -1.436 -0.466 2 HA2 GLY 32 1HA GLY 32 2.339 -0.942 0.785 3 HA3 GLY 32 2HA GLY 32 2.681 -1.057 -0.930 4 H ILE 33 H ILE 33 3.846 0.545 -1.779 5 HA ILE 33 HA ILE 33 4.106 3.088 -0.306 6 HB ILE 33 HB ILE 33 5.492 2.125 -2.846 7 HG12 ILE 33 1HG1 ILE 33 6.037 0.709 -0.951 8 HG13 ILE 33 2HG1 ILE 33 7.415 1.695 -1.415 9 HG21 ILE 33 1HG2 ILE 33 7.065 3.962 -2.391 10 HG22 ILE 33 2HG2 ILE 33 5.418 4.581 -2.651 11 HG23 ILE 33 3HG2 ILE 33 6.076 4.471 -1.001 12 HD11 ILE 33 1HD1 ILE 33 7.200 1.570 1.003 13 HD12 ILE 33 2HD1 ILE 33 6.949 3.240 0.438 14 HD13 ILE 33 3HD1 ILE 33 5.555 2.239 0.910 15 H ARG 34 H ARG 34 3.228 4.971 -0.854 16 HA ARG 34 HA ARG 34 1.725 5.068 -3.436 17 HB2 ARG 34 1HB ARG 34 0.260 5.114 -1.444 18 HB3 ARG 34 2HB ARG 34 1.129 6.513 -0.830 19 HG2 ARG 34 1HG ARG 34 0.313 7.910 -2.580 20 HG3 ARG 34 2HG ARG 34 -0.336 6.515 -3.476 21 HD2 ARG 34 1HD ARG 34 -2.119 7.649 -2.373 22 HD3 ARG 34 2HD ARG 34 -1.854 6.077 -1.584 23 HE ARG 34 HE ARG 34 -0.422 8.265 -0.336 24 HH11 ARG 34 1HH1 ARG 34 -3.469 6.523 -0.494 25 HH12 ARG 34 2HH1 ARG 34 -3.961 6.986 1.119 26 HH21 ARG 34 1HH2 ARG 34 -1.072 8.859 1.757 27 HH22 ARG 34 2HH2 ARG 34 -2.605 8.309 2.394 28 H VAL 35 H VAL 35 1.680 7.031 -4.588 29 HA VAL 35 HA VAL 35 3.556 9.151 -3.823 30 HB VAL 35 HB VAL 35 5.088 7.449 -4.748 31 HG11 VAL 35 1HG1 VAL 35 4.913 6.740 -7.082 32 HG12 VAL 35 2HG1 VAL 35 3.506 6.225 -6.122 33 HG13 VAL 35 3HG1 VAL 35 3.369 7.611 -7.230 34 HG21 VAL 35 1HG2 VAL 35 6.099 8.845 -6.521 35 HG22 VAL 35 2HG2 VAL 35 4.590 9.780 -6.644 36 HG23 VAL 35 3HG2 VAL 35 5.557 9.841 -5.150 37 H MET 36 H MET 36 2.955 11.046 -4.657 38 HA MET 36 HA MET 36 1.703 11.179 -7.299 39 HB2 MET 36 1HB MET 36 -0.338 12.293 -6.566 40 HB3 MET 36 2HB MET 36 -0.239 10.701 -5.828 41 HG2 MET 36 1HG MET 36 0.669 11.823 -3.750 42 HG3 MET 36 2HG MET 36 0.292 13.372 -4.508 43 HE1 MET 36 1HE MET 36 -2.776 10.209 -3.127 44 HE2 MET 36 2HE MET 36 -1.583 9.863 -4.405 45 HE3 MET 36 3HE MET 36 -1.038 10.196 -2.743 46 H ASP 37 H ASP 37 1.300 13.428 -7.987 47 HA ASP 37 HA ASP 37 3.607 15.021 -7.524 48 HB2 ASP 37 1HB ASP 37 0.902 15.700 -8.735 49 HB3 ASP 37 2HB ASP 37 2.251 16.827 -8.707 50 H HIS 38 H HIS 38 4.020 16.817 -6.326 51 HA HIS 38 HA HIS 38 2.649 17.215 -3.855 52 HB2 HIS 38 1HB HIS 38 5.035 17.915 -4.471 53 HB3 HIS 38 2HB HIS 38 4.321 19.298 -5.287 54 HD2 HIS 38 HD2 HIS 38 5.275 18.167 -1.728 55 HE1 HIS 38 HE1 HIS 38 3.183 21.865 -1.382 56 HE2 HIS 38 HE2 HIS 38 4.597 20.131 -0.159 57 HA PRO 39 HA PRO 39 -0.997 19.263 -4.909 58 HB2 PRO 39 1HB PRO 39 -0.376 20.804 -2.350 59 HB3 PRO 39 2HB PRO 39 -1.909 20.088 -2.865 60 HG2 PRO 39 1HG PRO 39 -0.453 18.766 -1.081 61 HG3 PRO 39 2HG PRO 39 -1.187 17.863 -2.409 62 HD2 PRO 39 1HD PRO 39 1.685 18.802 -2.081 63 HD3 PRO 39 2HD PRO 39 1.062 17.236 -2.743 64 H THR 40 H THR 40 1.892 21.064 -3.922 65 HA THR 40 HA THR 40 0.917 23.413 -5.495 66 HB THR 40 HB THR 40 2.717 23.401 -3.034 67 HG1 THR 40 HG1 THR 40 0.002 24.078 -3.515 68 HG21 THR 40 1HG2 THR 40 2.601 25.855 -3.220 69 HG22 THR 40 2HG2 THR 40 3.357 25.141 -4.666 70 HG23 THR 40 3HG2 THR 40 1.670 25.700 -4.727 71 H MET 41 H MET 41 3.902 21.782 -4.344 72 HA MET 41 HA MET 41 5.574 23.491 -5.928 73 HB2 MET 41 1HB MET 41 6.115 20.835 -4.547 74 HB3 MET 41 2HB MET 41 7.364 21.793 -5.328 75 HG2 MET 41 1HG MET 41 6.940 23.647 -3.778 76 HG3 MET 41 2HG MET 41 5.641 22.728 -3.014 77 HE1 MET 41 1HE MET 41 10.166 21.972 -2.616 78 HE2 MET 41 2HE MET 41 9.369 21.978 -4.209 79 HE3 MET 41 3HE MET 41 9.393 23.458 -3.219 80 HA PRO 42 HA PRO 42 4.543 21.614 -9.737 81 HB2 PRO 42 1HB PRO 42 6.884 23.361 -10.604 82 HB3 PRO 42 2HB PRO 42 5.299 23.171 -11.367 83 HG2 PRO 42 1HG PRO 42 5.720 25.341 -9.898 84 HG3 PRO 42 2HG PRO 42 4.190 24.480 -9.709 85 HD2 PRO 42 1HD PRO 42 6.671 24.396 -7.945 86 HD3 PRO 42 2HD PRO 42 4.928 24.468 -7.461 87 H ASP 43 H ASP 43 7.643 21.597 -8.159 88 HA ASP 43 HA ASP 43 8.650 19.529 -10.068 89 HB2 ASP 43 1HB ASP 43 10.918 20.407 -9.714 90 HB3 ASP 43 2HB ASP 43 9.865 21.652 -10.370 91 H THR 44 H THR 44 7.159 19.212 -7.546 92 HA THR 44 HA THR 44 9.150 17.388 -6.302 93 HB THR 44 HB THR 44 7.272 19.209 -4.735 94 HG1 THR 44 HG1 THR 44 9.230 20.190 -5.526 95 HG21 THR 44 1HG2 THR 44 8.321 18.194 -2.751 96 HG22 THR 44 2HG2 THR 44 7.484 16.964 -3.729 97 HG23 THR 44 3HG2 THR 44 9.255 17.102 -3.800 98 H GLN 45 H GLN 45 8.400 15.408 -5.788 99 HA GLN 45 HA GLN 45 5.434 15.042 -5.816 100 HB2 GLN 45 1HB GLN 45 7.649 13.042 -6.415 101 HB3 GLN 45 2HB GLN 45 5.952 12.613 -6.246 102 HG2 GLN 45 1HG GLN 45 5.479 14.264 -8.122 103 HG3 GLN 45 2HG GLN 45 7.247 14.304 -8.379 104 HE21 GLN 45 1HE2 GLN 45 5.254 11.611 -10.349 105 HE22 GLN 45 2HE2 GLN 45 4.756 13.202 -9.882 106 H VAL 46 H VAL 46 4.599 13.378 -4.348 107 HA VAL 46 HA VAL 46 6.137 13.445 -1.784 108 HB VAL 46 HB VAL 46 3.119 13.593 -2.193 109 HG11 VAL 46 1HG1 VAL 46 3.008 13.921 0.229 110 HG12 VAL 46 2HG1 VAL 46 3.688 12.333 -0.197 111 HG13 VAL 46 3HG1 VAL 46 4.761 13.644 0.347 112 HG21 VAL 46 1HG2 VAL 46 3.369 15.871 -1.262 113 HG22 VAL 46 2HG2 VAL 46 5.134 15.649 -1.196 114 HG23 VAL 46 3HG2 VAL 46 4.297 15.686 -2.768 115 H VAL 47 H VAL 47 6.351 11.600 -0.651 116 HA VAL 47 HA VAL 47 5.029 9.176 -1.796 117 HB VAL 47 HB VAL 47 7.889 9.375 -0.761 118 HG11 VAL 47 1HG1 VAL 47 8.121 7.101 -1.632 119 HG12 VAL 47 2HG1 VAL 47 6.886 7.202 -0.353 120 HG13 VAL 47 3HG1 VAL 47 6.392 7.090 -2.059 121 HG21 VAL 47 1HG2 VAL 47 8.524 9.039 -3.129 122 HG22 VAL 47 2HG2 VAL 47 6.807 9.092 -3.595 123 HG23 VAL 47 3HG2 VAL 47 7.593 10.541 -2.919 124 H VAL 48 H VAL 48 4.200 7.731 -0.396 125 HA VAL 48 HA VAL 48 4.518 8.369 2.505 126 HB VAL 48 HB VAL 48 2.242 6.928 1.077 127 HG11 VAL 48 1HG1 VAL 48 1.085 7.065 3.229 128 HG12 VAL 48 2HG1 VAL 48 2.572 6.094 3.334 129 HG13 VAL 48 3HG1 VAL 48 2.549 7.756 3.969 130 HG21 VAL 48 1HG2 VAL 48 0.943 8.960 1.634 131 HG22 VAL 48 2HG2 VAL 48 2.407 9.706 2.319 132 HG23 VAL 48 3HG2 VAL 48 2.323 9.346 0.578 133 H ILE 49 H ILE 49 5.604 6.978 3.704 134 HA ILE 49 HA ILE 49 5.911 4.190 2.668 135 HB ILE 49 HB ILE 49 7.949 5.855 4.208 136 HG12 ILE 49 1HG1 ILE 49 9.142 5.207 1.870 137 HG13 ILE 49 2HG1 ILE 49 7.481 5.363 1.323 138 HG21 ILE 49 1HG2 ILE 49 9.454 3.948 3.801 139 HG22 ILE 49 2HG2 ILE 49 8.044 3.456 4.768 140 HG23 ILE 49 3HG2 ILE 49 8.119 3.053 3.037 141 HD11 ILE 49 1HD1 ILE 49 8.683 7.464 1.088 142 HD12 ILE 49 2HD1 ILE 49 7.367 7.624 2.276 143 HD13 ILE 49 3HD1 ILE 49 9.051 7.468 2.829 144 HA PRO 50 HA PRO 50 3.734 3.216 6.384 145 HB2 PRO 50 1HB PRO 50 4.829 0.489 5.585 146 HB3 PRO 50 2HB PRO 50 3.197 0.919 6.114 147 HG2 PRO 50 1HG PRO 50 3.618 0.551 3.514 148 HG3 PRO 50 2HG PRO 50 2.628 1.920 4.030 149 HD2 PRO 50 1HD PRO 50 5.547 1.877 3.169 150 HD3 PRO 50 2HD PRO 50 4.254 3.077 2.763 151 H LYS 51 H LYS 51 4.321 2.668 8.507 152 HA LYS 51 HA LYS 51 7.066 3.116 9.199 153 HB2 LYS 51 1HB LYS 51 4.719 2.090 10.844 154 HB3 LYS 51 2HB LYS 51 6.292 2.486 11.523 155 HG2 LYS 51 1HG LYS 51 6.033 4.824 10.753 156 HG3 LYS 51 2HG LYS 51 4.438 4.419 10.102 157 HD2 LYS 51 1HD LYS 51 3.681 3.762 12.369 158 HD3 LYS 51 2HD LYS 51 5.274 4.184 13.017 159 HE2 LYS 51 1HE LYS 51 4.960 6.520 12.281 160 HE3 LYS 51 2HE LYS 51 3.378 6.106 11.617 161 HZ1 LYS 51 1HZ LYS 51 3.196 7.081 13.786 162 HZ2 LYS 51 2HZ LYS 51 2.667 5.519 13.832 163 HZ3 LYS 51 3HZ LYS 51 4.144 5.908 14.452 164 H SER 52 H SER 52 8.701 1.810 9.747 165 HA SER 52 HA SER 52 9.791 -0.181 10.313 166 HB2 SER 52 1HB SER 52 8.644 -2.104 10.872 167 HB3 SER 52 2HB SER 52 7.402 -0.892 11.139 168 HG SER 52 HG SER 52 6.331 -1.587 9.515 169 H ALA 53 H ALA 53 8.157 0.610 7.466 170 HA ALA 53 HA ALA 53 9.125 -1.541 5.801 171 HB1 ALA 53 1HB ALA 53 8.512 -0.049 3.924 172 HB2 ALA 53 2HB ALA 53 7.209 -0.160 5.132 173 HB3 ALA 53 3HB ALA 53 8.253 1.280 5.076 174 H ASP 54 H ASP 54 10.758 -1.459 4.199 175 HA ASP 54 HA ASP 54 13.193 -0.193 5.170 176 HB2 ASP 54 1HB ASP 54 13.116 -2.473 4.099 177 HB3 ASP 54 2HB ASP 54 12.720 -1.703 2.569 178 H LEU 55 H LEU 55 12.651 2.031 5.053 179 HA LEU 55 HA LEU 55 11.759 3.432 2.808 180 HB2 LEU 55 1HB LEU 55 12.063 4.449 5.023 181 HB3 LEU 55 2HB LEU 55 13.816 4.290 4.876 182 HG LEU 55 HG LEU 55 13.786 5.892 2.977 183 HD11 LEU 55 1HD1 LEU 55 11.728 7.146 2.509 184 HD12 LEU 55 2HD1 LEU 55 11.535 5.412 2.162 185 HD13 LEU 55 3HD1 LEU 55 10.836 6.106 3.644 186 HD21 LEU 55 1HD2 LEU 55 13.267 7.880 4.351 187 HD22 LEU 55 2HD2 LEU 55 12.396 6.851 5.513 188 HD23 LEU 55 3HD2 LEU 55 14.152 6.660 5.298 189 H GLN 56 H GLN 56 15.046 2.341 3.588 190 HA GLN 56 HA GLN 56 16.458 3.790 1.636 191 HB2 GLN 56 1HB GLN 56 17.473 2.386 3.458 192 HB3 GLN 56 2HB GLN 56 17.031 0.946 2.555 193 HG2 GLN 56 1HG GLN 56 19.338 1.419 2.168 194 HG3 GLN 56 2HG GLN 56 18.437 1.751 0.662 195 HE21 GLN 56 1HE2 GLN 56 19.832 4.901 0.375 196 HE22 GLN 56 2HE2 GLN 56 19.282 3.434 -0.362 197 H SER 57 H SER 57 14.764 0.676 1.353 198 HA SER 57 HA SER 57 15.513 0.197 -1.372 199 HB2 SER 57 1HB SER 57 13.207 -0.756 0.342 200 HB3 SER 57 2HB SER 57 13.415 -1.273 -1.325 201 HG SER 57 HG SER 57 14.924 -1.804 0.927 202 H VAL 58 H VAL 58 12.755 1.861 0.132 203 HA VAL 58 HA VAL 58 11.312 2.382 -2.268 204 HB VAL 58 HB VAL 58 11.472 3.963 0.332 205 HG11 VAL 58 1HG1 VAL 58 9.362 4.995 -0.358 206 HG12 VAL 58 2HG1 VAL 58 10.694 5.393 -1.470 207 HG13 VAL 58 3HG1 VAL 58 9.480 4.178 -1.935 208 HG21 VAL 58 1HG2 VAL 58 9.338 2.812 0.822 209 HG22 VAL 58 2HG2 VAL 58 9.462 1.929 -0.717 210 HG23 VAL 58 3HG2 VAL 58 10.656 1.644 0.572 211 H ILE 59 H ILE 59 13.823 4.253 -0.555 212 HA ILE 59 HA ILE 59 13.829 6.512 -2.261 213 HB ILE 59 HB ILE 59 16.026 5.225 -0.601 214 HG12 ILE 59 1HG1 ILE 59 14.513 7.808 -0.181 215 HG13 ILE 59 2HG1 ILE 59 14.014 6.271 0.505 216 HG21 ILE 59 1HG2 ILE 59 17.318 7.290 -0.952 217 HG22 ILE 59 2HG2 ILE 59 17.060 6.428 -2.487 218 HG23 ILE 59 3HG2 ILE 59 16.091 7.870 -2.101 219 HD11 ILE 59 1HD1 ILE 59 15.265 7.587 2.122 220 HD12 ILE 59 2HD1 ILE 59 16.150 6.098 1.707 221 HD13 ILE 59 3HD1 ILE 59 16.655 7.657 1.014 222 H SER 60 H SER 60 15.608 3.437 -2.489 223 HA SER 60 HA SER 60 17.178 4.101 -4.756 224 HB2 SER 60 1HB SER 60 16.052 1.430 -3.861 225 HB3 SER 60 2HB SER 60 17.266 1.624 -5.115 226 HG SER 60 HG SER 60 17.420 2.265 -2.391 227 H VAL 61 H VAL 61 13.944 2.604 -4.531 228 HA VAL 61 HA VAL 61 13.515 2.294 -7.320 229 HB VAL 61 HB VAL 61 11.564 2.801 -5.036 230 HG11 VAL 61 1HG1 VAL 61 9.806 2.007 -6.542 231 HG12 VAL 61 2HG1 VAL 61 10.547 3.517 -7.120 232 HG13 VAL 61 3HG1 VAL 61 10.974 1.968 -7.883 233 HG21 VAL 61 1HG2 VAL 61 11.158 0.370 -5.258 234 HG22 VAL 61 2HG2 VAL 61 12.372 0.287 -6.556 235 HG23 VAL 61 3HG2 VAL 61 12.868 0.706 -4.898 236 H LEU 62 H LEU 62 12.793 5.015 -5.127 237 HA LEU 62 HA LEU 62 11.530 6.650 -7.102 238 HB2 LEU 62 1HB LEU 62 13.004 7.393 -4.551 239 HB3 LEU 62 2HB LEU 62 12.043 8.520 -5.511 240 HG LEU 62 HG LEU 62 10.917 6.020 -4.203 241 HD11 LEU 62 1HD1 LEU 62 10.006 7.556 -2.518 242 HD12 LEU 62 2HD1 LEU 62 11.785 7.561 -2.518 243 HD13 LEU 62 3HD1 LEU 62 10.891 8.905 -3.268 244 HD21 LEU 62 1HD2 LEU 62 8.763 7.144 -4.659 245 HD22 LEU 62 2HD2 LEU 62 9.630 8.488 -5.440 246 HD23 LEU 62 3HD2 LEU 62 9.671 6.862 -6.165 247 H THR 63 H THR 63 14.902 6.351 -6.024 248 HA THR 63 HA THR 63 15.944 8.614 -7.357 249 HB THR 63 HB THR 63 17.318 5.946 -6.823 250 HG1 THR 63 HG1 THR 63 16.461 7.038 -4.955 251 HG21 THR 63 1HG2 THR 63 19.394 7.270 -6.917 252 HG22 THR 63 2HG2 THR 63 18.523 7.338 -8.469 253 HG23 THR 63 3HG2 THR 63 18.456 8.717 -7.348 254 H ALA 64 H ALA 64 15.581 5.255 -8.509 255 HA ALA 64 HA ALA 64 16.661 5.727 -11.106 256 HB1 ALA 64 1HB ALA 64 15.489 3.645 -11.739 257 HB2 ALA 64 2HB ALA 64 16.353 3.471 -10.193 258 HB3 ALA 64 3HB ALA 64 14.589 3.695 -10.205 259 H LYS 65 H LYS 65 13.234 5.533 -10.063 260 HA LYS 65 HA LYS 65 12.223 6.016 -12.682 261 HB2 LYS 65 1HB LYS 65 10.964 6.333 -9.932 262 HB3 LYS 65 2HB LYS 65 10.067 6.569 -11.426 263 HG2 LYS 65 1HG LYS 65 10.596 4.229 -12.087 264 HG3 LYS 65 2HG LYS 65 11.415 4.004 -10.535 265 HD2 LYS 65 1HD LYS 65 9.317 4.518 -9.341 266 HD3 LYS 65 2HD LYS 65 8.494 4.773 -10.886 267 HE2 LYS 65 1HE LYS 65 9.035 2.409 -11.513 268 HE3 LYS 65 2HE LYS 65 9.734 2.175 -9.908 269 HZ1 LYS 65 1HZ LYS 65 7.476 1.413 -10.006 270 HZ2 LYS 65 2HZ LYS 65 7.589 2.686 -8.962 271 HZ3 LYS 65 3HZ LYS 65 6.935 2.904 -10.461 272 H GLY 66 H GLY 66 13.246 8.187 -10.129 273 HA2 GLY 66 1HA GLY 66 11.745 10.459 -11.261 274 HA3 GLY 66 2HA GLY 66 12.694 10.463 -9.787 275 H LYS 67 H LYS 67 14.608 8.947 -12.002 276 HA LYS 67 HA LYS 67 16.063 11.511 -12.494 277 HB2 LYS 67 1HB LYS 67 17.141 9.921 -10.878 278 HB3 LYS 67 2HB LYS 67 17.221 8.716 -12.157 279 HG2 LYS 67 1HG LYS 67 18.722 10.126 -13.457 280 HG3 LYS 67 2HG LYS 67 18.569 11.429 -12.270 281 HD2 LYS 67 1HD LYS 67 19.536 9.930 -10.531 282 HD3 LYS 67 2HD LYS 67 19.742 8.670 -11.758 283 HE2 LYS 67 1HE LYS 67 21.193 10.232 -13.064 284 HE3 LYS 67 2HE LYS 67 21.045 11.417 -11.763 285 HZ1 LYS 67 1HZ LYS 67 23.047 10.139 -11.566 286 HZ2 LYS 67 2HZ LYS 67 22.062 9.831 -10.279 287 HZ3 LYS 67 3HZ LYS 67 22.203 8.724 -11.493 288 H GLU 68 H GLU 68 14.963 8.477 -13.878 289 HA GLU 68 HA GLU 68 16.507 8.493 -16.252 290 HB2 GLU 68 1HB GLU 68 13.746 7.391 -15.627 291 HB3 GLU 68 2HB GLU 68 14.511 7.170 -17.195 292 HG2 GLU 68 1HG GLU 68 16.358 5.966 -16.173 293 HG3 GLU 68 2HG GLU 68 15.709 6.275 -14.565 294 H ALA 69 H ALA 69 13.485 10.144 -15.433 295 HA ALA 69 HA ALA 69 13.654 11.529 -18.070 296 HB1 ALA 69 1HB ALA 69 11.258 12.061 -17.766 297 HB2 ALA 69 2HB ALA 69 11.551 10.305 -17.759 298 HB3 ALA 69 3HB ALA 69 11.263 11.164 -16.230 299 H GLY 70 H GLY 70 11.920 12.484 -15.126 300 HA2 GLY 70 1HA GLY 70 12.450 14.149 -13.556 301 HA3 GLY 70 2HA GLY 70 13.961 14.451 -14.393 302 HA PRO 71 HA PRO 71 10.833 17.693 -15.629 303 HB2 PRO 71 1HB PRO 71 11.243 19.706 -13.864 304 HB3 PRO 71 2HB PRO 71 10.172 18.358 -13.459 305 HG2 PRO 71 1HG PRO 71 13.082 18.796 -12.664 306 HG3 PRO 71 2HG PRO 71 11.726 18.319 -11.638 307 HD2 PRO 71 1HD PRO 71 13.492 16.498 -12.736 308 HD3 PRO 71 2HD PRO 71 11.771 16.095 -12.354 309 H GLN 72 H GLN 72 11.658 20.298 -15.716 310 HA GLN 72 HA GLN 72 13.948 20.302 -17.427 311 HB2 GLN 72 1HB GLN 72 12.511 22.548 -15.966 312 HB3 GLN 72 2HB GLN 72 13.824 22.823 -17.102 313 HG2 GLN 72 1HG GLN 72 12.527 21.800 -18.896 314 HG3 GLN 72 2HG GLN 72 11.201 21.457 -17.749 315 HE21 GLN 72 1HE2 GLN 72 10.627 24.636 -19.734 316 HE22 GLN 72 2HE2 GLN 72 11.103 23.035 -20.197 317 H GLY 73 H GLY 73 13.551 20.777 -13.967 318 HA2 GLY 73 1HA GLY 73 16.506 21.219 -13.747 319 HA3 GLY 73 2HA GLY 73 15.333 21.806 -12.582 320 H ARG 74 H ARG 74 15.920 20.742 -10.759 321 HA ARG 74 HA ARG 74 16.585 17.887 -10.837 322 HB2 ARG 74 1HB ARG 74 16.349 19.860 -8.540 323 HB3 ARG 74 2HB ARG 74 16.838 18.182 -8.356 324 HG2 ARG 74 1HG ARG 74 18.786 18.613 -9.837 325 HG3 ARG 74 2HG ARG 74 18.309 20.328 -9.903 326 HD2 ARG 74 1HD ARG 74 18.850 18.839 -7.349 327 HD3 ARG 74 2HD ARG 74 20.078 19.766 -8.245 328 HE ARG 74 HE ARG 74 18.208 21.633 -7.972 329 HH11 ARG 74 1HH1 ARG 74 19.383 19.296 -5.629 330 HH12 ARG 74 2HH1 ARG 74 19.079 20.332 -4.253 331 HH21 ARG 74 1HH2 ARG 74 17.815 22.971 -6.179 332 HH22 ARG 74 2HH2 ARG 74 18.191 22.412 -4.565 333 H ASN 75 H ASN 75 15.490 16.242 -9.731 334 HA ASN 75 HA ASN 75 12.586 16.817 -9.351 335 HB2 ASN 75 1HB ASN 75 13.359 15.103 -11.087 336 HB3 ASN 75 2HB ASN 75 13.865 14.099 -9.735 337 HD21 ASN 75 1HD2 ASN 75 10.546 12.901 -10.522 338 HD22 ASN 75 2HD2 ASN 75 12.157 12.858 -11.156 339 H LYS 76 H LYS 76 12.051 17.178 -7.338 340 HA LYS 76 HA LYS 76 13.619 15.824 -5.201 341 HB2 LYS 76 1HB LYS 76 11.960 18.356 -5.286 342 HB3 LYS 76 2HB LYS 76 12.356 17.588 -3.754 343 HG2 LYS 76 1HG LYS 76 14.020 19.194 -4.004 344 HG3 LYS 76 2HG LYS 76 14.816 17.711 -4.547 345 HD2 LYS 76 1HD LYS 76 15.304 19.539 -6.093 346 HD3 LYS 76 2HD LYS 76 14.315 18.313 -6.900 347 HE2 LYS 76 1HE LYS 76 12.291 19.677 -6.491 348 HE3 LYS 76 2HE LYS 76 13.277 20.902 -5.688 349 HZ1 LYS 76 1HZ LYS 76 12.844 21.473 -7.963 350 HZ2 LYS 76 2HZ LYS 76 14.460 21.221 -7.752 351 HZ3 LYS 76 3HZ LYS 76 13.539 20.077 -8.502 352 H PHE 77 H PHE 77 12.718 14.587 -3.639 353 HA PHE 77 HA PHE 77 9.763 14.169 -3.817 354 HB2 PHE 77 1HB PHE 77 11.967 12.143 -3.288 355 HB3 PHE 77 2HB PHE 77 10.275 11.825 -2.943 356 HD1 PHE 77 HD1 PHE 77 12.616 12.735 -5.685 357 HD2 PHE 77 HD2 PHE 77 8.825 11.078 -4.619 358 HE1 PHE 77 HE1 PHE 77 12.278 12.008 -8.024 359 HE2 PHE 77 HE2 PHE 77 8.485 10.347 -6.957 360 HZ PHE 77 HZ PHE 77 10.212 10.814 -8.660 361 H ILE 78 H ILE 78 8.624 13.887 -1.904 362 HA ILE 78 HA ILE 78 10.164 14.469 0.585 363 HB ILE 78 HB ILE 78 7.215 14.877 -0.061 364 HG12 ILE 78 1HG1 ILE 78 9.412 16.854 0.588 365 HG13 ILE 78 2HG1 ILE 78 8.766 16.539 -1.015 366 HG21 ILE 78 1HG2 ILE 78 7.041 15.813 2.209 367 HG22 ILE 78 2HG2 ILE 78 7.503 14.097 2.260 368 HG23 ILE 78 3HG2 ILE 78 8.729 15.357 2.532 369 HD11 ILE 78 1HD1 ILE 78 7.799 18.554 -0.060 370 HD12 ILE 78 2HD1 ILE 78 6.549 17.306 -0.286 371 HD13 ILE 78 3HD1 ILE 78 7.204 17.628 1.337 372 H LEU 79 H LEU 79 10.380 12.957 2.075 373 HA LEU 79 HA LEU 79 8.955 10.391 1.585 374 HB2 LEU 79 1HB LEU 79 11.427 10.939 3.264 375 HB3 LEU 79 2HB LEU 79 10.754 9.353 2.874 376 HG LEU 79 HG LEU 79 11.962 11.293 0.868 377 HD11 LEU 79 1HD1 LEU 79 13.796 9.665 0.778 378 HD12 LEU 79 2HD1 LEU 79 13.618 10.367 2.404 379 HD13 LEU 79 3HD1 LEU 79 13.023 8.722 2.075 380 HD21 LEU 79 1HD2 LEU 79 11.771 9.373 -0.677 381 HD22 LEU 79 2HD2 LEU 79 10.970 8.425 0.598 382 HD23 LEU 79 3HD2 LEU 79 10.172 9.869 -0.072 383 H LEU 80 H LEU 80 7.210 10.068 2.766 384 HA LEU 80 HA LEU 80 7.137 11.253 5.505 385 HB2 LEU 80 1HB LEU 80 4.828 10.491 3.682 386 HB3 LEU 80 2HB LEU 80 4.689 11.238 5.277 387 HG LEU 80 HG LEU 80 5.959 12.539 2.841 388 HD11 LEU 80 1HD1 LEU 80 3.941 13.935 2.839 389 HD12 LEU 80 2HD1 LEU 80 3.553 12.219 2.580 390 HD13 LEU 80 3HD1 LEU 80 3.268 12.965 4.169 391 HD21 LEU 80 1HD2 LEU 80 5.913 14.563 4.258 392 HD22 LEU 80 2HD2 LEU 80 5.268 13.602 5.610 393 HD23 LEU 80 3HD2 LEU 80 6.909 13.285 4.999 394 H SER 81 H SER 81 6.225 10.072 7.215 395 HA SER 81 HA SER 81 6.355 7.133 6.839 396 HB2 SER 81 1HB SER 81 6.187 8.851 9.337 397 HB3 SER 81 2HB SER 81 6.248 7.096 9.337 398 HG SER 81 HG SER 81 8.214 7.256 8.207 399 H GLY 82 H GLY 82 4.691 5.742 7.312 400 HA2 GLY 82 1HA GLY 82 2.536 5.577 8.667 401 HA3 GLY 82 2HA GLY 82 2.023 7.019 7.812 402 H ASP 83 H ASP 83 0.532 4.671 7.751 403 HA ASP 83 HA ASP 83 1.162 3.193 5.303 404 HB2 ASP 83 1HB ASP 83 -0.747 1.845 5.824 405 HB3 ASP 83 2HB ASP 83 0.073 2.161 7.346 406 H THR 84 H THR 84 -1.055 2.755 3.968 407 HA THR 84 HA THR 84 -1.784 5.472 2.964 408 HB THR 84 HB THR 84 -2.179 4.355 0.765 409 HG1 THR 84 HG1 THR 84 -2.450 2.209 1.884 410 HG21 THR 84 1HG2 THR 84 0.190 3.961 0.220 411 HG22 THR 84 2HG2 THR 84 0.006 5.396 1.255 412 HG23 THR 84 3HG2 THR 84 0.577 3.861 1.953 413 H SER 85 H SER 85 -3.155 4.210 5.137 414 HA SER 85 HA SER 85 -5.574 2.972 4.093 415 HB2 SER 85 1HB SER 85 -4.865 4.057 6.838 416 HB3 SER 85 2HB SER 85 -6.352 3.199 6.465 417 HG SER 85 HG SER 85 -3.961 2.242 7.014 418 H ALA 569 1H ALA 569 7.696 22.350 0.784 419 HA ALA 569 HA ALA 569 9.140 22.932 2.562 420 HB1 ALA 569 1HB ALA 569 11.234 22.941 1.244 421 HB2 ALA 569 2HB ALA 569 10.057 21.770 0.603 422 HB3 ALA 569 3HB ALA 569 10.302 23.327 -0.220 423 H GLN 570 H GLN 570 10.871 24.364 3.270 424 HA GLN 570 HA GLN 570 10.390 27.195 2.434 425 HB2 GLN 570 1HB GLN 570 9.591 26.897 4.706 426 HB3 GLN 570 2HB GLN 570 11.070 26.072 5.179 427 HG2 GLN 570 1HG GLN 570 11.127 28.293 6.043 428 HG3 GLN 570 2HG GLN 570 12.330 28.180 4.727 429 HE21 GLN 570 1HE2 GLN 570 11.033 30.877 2.997 430 HE22 GLN 570 2HE2 GLN 570 12.365 29.835 3.368 431 H ALA 571 H ALA 571 11.996 27.919 1.255 432 HA ALA 571 HA ALA 571 14.585 26.640 1.253 433 HB1 ALA 571 1HB ALA 571 15.199 28.417 -0.356 434 HB2 ALA 571 2HB ALA 571 13.648 27.652 -0.777 435 HB3 ALA 571 3HB ALA 571 13.669 29.253 -0.003 436 H GLY 572 H GLY 572 16.565 27.361 1.975 437 HA2 GLY 572 1HA GLY 572 17.598 29.737 2.461 438 HA3 GLY 572 2HA GLY 572 16.530 29.679 3.851 439 H ALA 573 H ALA 573 16.791 26.785 4.243 440 HA ALA 573 HA ALA 573 19.208 26.936 5.882 441 HB1 ALA 573 1HB ALA 573 18.441 24.761 6.777 442 HB2 ALA 573 2HB ALA 573 17.146 25.982 6.812 443 HB3 ALA 573 3HB ALA 573 17.149 24.724 5.555 444 H ALA 574 H ALA 574 20.292 27.128 3.565 445 HA ALA 574 HA ALA 574 21.599 26.186 1.926 446 HB1 ALA 574 1HB ALA 574 22.968 24.241 2.605 447 HB2 ALA 574 2HB ALA 574 22.911 25.485 3.879 448 HB3 ALA 574 3HB ALA 574 21.923 24.013 4.027 449 H ASN 575 H ASN 575 18.680 25.411 2.169 450 HA ASN 575 HA ASN 575 18.552 23.564 -0.003 451 HB2 ASN 575 1HB ASN 575 19.235 22.193 2.218 452 HB3 ASN 575 2HB ASN 575 17.489 22.199 2.422 453 HD21 ASN 575 1HD2 ASN 575 18.891 19.346 0.274 454 HD22 ASN 575 2HD2 ASN 575 19.549 20.105 1.685 455 H ARG 576 H ARG 576 16.202 22.547 -0.082 456 HA ARG 576 HA ARG 576 14.281 24.591 0.895 457 HB2 ARG 576 1HB ARG 576 13.933 22.217 -0.966 458 HB3 ARG 576 2HB ARG 576 12.626 23.279 -0.464 459 HG2 ARG 576 1HG ARG 576 13.772 25.188 -1.529 460 HG3 ARG 576 2HG ARG 576 15.068 24.090 -2.062 461 HD2 ARG 576 1HD ARG 576 13.461 22.799 -3.331 462 HD3 ARG 576 2HD ARG 576 12.155 23.877 -2.786 463 HE ARG 576 HE ARG 576 14.104 25.502 -3.951 464 HH11 ARG 576 1HH1 ARG 576 11.969 22.889 -4.930 465 HH12 ARG 576 2HH1 ARG 576 11.839 23.446 -6.583 466 HH21 ARG 576 1HH2 ARG 576 13.927 26.216 -6.099 467 HH22 ARG 576 2HH2 ARG 576 12.946 25.330 -7.246 468 H SER 577 H SER 577 13.937 24.244 3.043 469 HA SER 577 HA SER 577 14.242 21.540 4.093 470 HB2 SER 577 1HB SER 577 14.083 22.591 6.269 471 HB3 SER 577 2HB SER 577 15.155 23.535 5.247 472 HG SER 577 HG SER 577 13.518 24.964 4.876 473 H LEU 578 H LEU 578 12.726 20.537 5.567 474 HA LEU 578 HA LEU 578 9.893 21.235 4.915 475 HB2 LEU 578 1HB LEU 578 11.070 18.512 5.577 476 HB3 LEU 578 2HB LEU 578 9.364 18.848 5.265 477 HG LEU 578 HG LEU 578 11.582 19.237 3.227 478 HD11 LEU 578 1HD1 LEU 578 10.730 17.168 2.219 479 HD12 LEU 578 2HD1 LEU 578 11.367 16.888 3.857 480 HD13 LEU 578 3HD1 LEU 578 9.609 16.963 3.585 481 HD21 LEU 578 1HD2 LEU 578 9.681 19.377 1.654 482 HD22 LEU 578 2HD2 LEU 578 8.544 19.204 3.012 483 HD23 LEU 578 3HD2 LEU 578 9.579 20.647 2.896 484 H THR 579 H THR 579 8.342 21.114 6.564 485 HA THR 579 HA THR 579 9.356 21.025 9.327 486 HB THR 579 HB THR 579 7.014 21.466 9.975 487 HG1 THR 579 HG1 THR 579 5.854 20.382 8.420 488 HG21 THR 579 1HG2 THR 579 6.760 23.665 8.895 489 HG22 THR 579 2HG2 THR 579 8.457 23.370 9.346 490 HG23 THR 579 3HG2 THR 579 7.943 23.196 7.652 491 H GLU 580 H GLU 580 8.175 18.851 6.974 492 HA GLU 580 HA GLU 580 8.298 16.679 8.953 493 HB2 GLU 580 1HB GLU 580 5.919 17.383 9.046 494 HB3 GLU 580 2HB GLU 580 5.781 17.169 7.307 495 HG2 GLU 580 1HG GLU 580 6.207 14.775 7.539 496 HG3 GLU 580 2HG GLU 580 6.427 14.966 9.277 497 H GLY 581 H GLY 581 9.113 14.866 8.125 498 HA2 GLY 581 1HA GLY 581 9.469 13.207 6.465 499 HA3 GLY 581 2HA GLY 581 8.839 14.292 5.239 500 H PHE 582 H PHE 582 11.053 12.961 4.574 501 HA PHE 582 HA PHE 582 13.344 14.793 5.082 502 HB2 PHE 582 1HB PHE 582 13.256 11.992 3.893 503 HB3 PHE 582 2HB PHE 582 14.714 12.955 4.070 504 HD1 PHE 582 HD1 PHE 582 13.755 14.157 6.818 505 HD2 PHE 582 HD2 PHE 582 14.108 10.197 5.256 506 HE1 PHE 582 HE1 PHE 582 14.058 13.282 9.110 507 HE2 PHE 582 HE2 PHE 582 14.408 9.317 7.546 508 HZ PHE 582 HZ PHE 582 14.385 10.861 9.474 509 H VAL 583 H VAL 583 14.708 15.434 3.320 510 HA VAL 583 HA VAL 583 13.144 15.833 0.821 511 HB VAL 583 HB VAL 583 15.660 17.230 1.830 512 HG11 VAL 583 1HG1 VAL 583 15.274 18.808 0.000 513 HG12 VAL 583 2HG1 VAL 583 15.586 17.161 -0.596 514 HG13 VAL 583 3HG1 VAL 583 13.927 17.803 -0.582 515 HG21 VAL 583 1HG2 VAL 583 14.139 19.150 2.179 516 HG22 VAL 583 2HG2 VAL 583 12.760 18.148 1.668 517 HG23 VAL 583 3HG2 VAL 583 13.643 17.750 3.161 518 H LEU 584 H LEU 584 13.519 14.455 -0.764 519 HA LEU 584 HA LEU 584 16.220 13.202 -0.932 520 HB2 LEU 584 1HB LEU 584 14.439 11.586 -0.617 521 HB3 LEU 584 2HB LEU 584 13.505 12.289 -1.941 522 HG LEU 584 HG LEU 584 15.301 11.557 -3.531 523 HD11 LEU 584 1HD1 LEU 584 16.957 9.931 -2.732 524 HD12 LEU 584 2HD1 LEU 584 17.155 11.511 -1.942 525 HD13 LEU 584 3HD1 LEU 584 16.386 10.168 -1.065 526 HD21 LEU 584 1HD2 LEU 584 14.670 9.169 -3.435 527 HD22 LEU 584 2HD2 LEU 584 14.066 9.395 -1.775 528 HD23 LEU 584 3HD2 LEU 584 13.262 10.216 -3.134 529 H ASP 585 H ASP 585 17.525 13.983 -2.420 530 HA ASP 585 HA ASP 585 16.363 15.173 -4.879 531 HB2 ASP 585 1HB ASP 585 18.084 16.488 -3.700 532 HB3 ASP 585 2HB ASP 585 19.218 15.150 -3.822 533 H THR 586 H THR 586 15.886 13.718 -6.384 534 HA THR 586 HA THR 586 17.429 11.214 -6.512 535 HB THR 586 HB THR 586 15.705 10.547 -8.209 536 HG1 THR 586 HG1 THR 586 14.709 13.162 -7.636 537 HG21 THR 586 1HG2 THR 586 13.813 10.458 -6.632 538 HG22 THR 586 2HG2 THR 586 15.346 10.100 -5.805 539 HG23 THR 586 3HG2 THR 586 14.589 11.699 -5.623 540 H MET 587 H MET 587 17.864 14.222 -7.742 541 HA MET 587 HA MET 587 18.774 13.298 -10.409 542 HB2 MET 587 1HB MET 587 17.424 15.449 -10.045 543 HB3 MET 587 2HB MET 587 18.864 16.120 -9.293 544 HG2 MET 587 1HG MET 587 18.727 16.828 -11.600 545 HG3 MET 587 2HG MET 587 20.121 15.766 -11.390 546 HE1 MET 587 1HE MET 587 16.158 14.529 -13.431 547 HE2 MET 587 2HE MET 587 16.274 14.852 -11.683 548 HE3 MET 587 3HE MET 587 16.518 16.172 -12.853 549 H ASN 588 H ASN 588 20.017 14.669 -7.388 550 HA ASN 588 HA ASN 588 22.780 14.175 -8.409 551 HB2 ASN 588 1HB ASN 588 21.756 15.956 -6.177 552 HB3 ASN 588 2HB ASN 588 23.461 15.620 -6.449 553 HD21 ASN 588 1HD2 ASN 588 21.516 18.380 -8.636 554 HD22 ASN 588 2HD2 ASN 588 20.776 17.505 -7.337 555 H ASP 589 H ASP 589 20.529 12.478 -6.929 556 HA ASP 589 HA ASP 589 20.580 10.640 -5.541 557 HB2 ASP 589 1HB ASP 589 23.529 10.700 -6.301 558 HB3 ASP 589 2HB ASP 589 22.722 9.346 -5.521 559 H SER 590 H SER 590 20.295 12.656 -3.972 560 HA SER 590 HA SER 590 22.158 12.156 -1.720 561 HB2 SER 590 1HB SER 590 23.097 14.100 -2.864 562 HB3 SER 590 2HB SER 590 21.534 14.901 -2.854 563 HG SER 590 HG SER 590 22.451 13.980 -0.434 564 H LEU 591 H LEU 591 21.156 12.009 0.171 565 HA LEU 591 HA LEU 591 18.335 12.973 0.313 566 HB2 LEU 591 1HB LEU 591 18.591 10.568 0.668 567 HB3 LEU 591 2HB LEU 591 19.799 10.853 1.925 568 HG LEU 591 HG LEU 591 17.978 12.035 3.252 569 HD11 LEU 591 1HD1 LEU 591 15.660 11.528 2.620 570 HD12 LEU 591 2HD1 LEU 591 16.481 12.508 1.381 571 HD13 LEU 591 3HD1 LEU 591 16.236 10.764 1.121 572 HD21 LEU 591 1HD2 LEU 591 16.984 9.896 3.993 573 HD22 LEU 591 2HD2 LEU 591 17.579 9.107 2.512 574 HD23 LEU 591 3HD2 LEU 591 18.734 9.727 3.714 575 H SER 592 H SER 592 17.791 14.556 1.649 576 HA SER 592 HA SER 592 19.763 15.318 3.764 577 HB2 SER 592 1HB SER 592 19.546 17.079 2.119 578 HB3 SER 592 2HB SER 592 17.792 17.013 2.202 579 HG SER 592 HG SER 592 18.474 17.327 4.624 580 H LYS 593 H LYS 593 19.158 15.159 5.803 581 HA LYS 593 HA LYS 593 16.265 14.657 6.339 582 HB2 LYS 593 1HB LYS 593 18.732 13.860 7.935 583 HB3 LYS 593 2HB LYS 593 17.074 13.566 8.442 584 HG2 LYS 593 1HG LYS 593 16.732 12.161 6.415 585 HG3 LYS 593 2HG LYS 593 18.431 12.411 5.989 586 HD2 LYS 593 1HD LYS 593 19.114 11.392 8.146 587 HD3 LYS 593 2HD LYS 593 17.412 11.127 8.551 588 HE2 LYS 593 1HE LYS 593 17.159 9.676 6.569 589 HE3 LYS 593 2HE LYS 593 18.851 9.951 6.143 590 HZ1 LYS 593 1HZ LYS 593 18.559 7.893 7.311 591 HZ2 LYS 593 2HZ LYS 593 19.480 8.920 8.216 592 HZ3 LYS 593 3HZ LYS 593 17.900 8.662 8.613 Start of MODEL 6 1 H GLY 32 1H GLY 32 -1.088 0.951 2.908 2 HA2 GLY 32 1HA GLY 32 1.134 0.359 2.366 3 HA3 GLY 32 2HA GLY 32 0.167 0.645 0.931 4 H ILE 33 H ILE 33 2.608 0.867 0.260 5 HA ILE 33 HA ILE 33 3.689 3.548 0.552 6 HB ILE 33 HB ILE 33 4.261 1.338 -1.467 7 HG12 ILE 33 1HG1 ILE 33 5.917 2.292 0.877 8 HG13 ILE 33 2HG1 ILE 33 4.816 0.925 0.953 9 HG21 ILE 33 1HG2 ILE 33 6.261 2.650 -2.048 10 HG22 ILE 33 2HG2 ILE 33 4.773 3.554 -2.416 11 HG23 ILE 33 3HG2 ILE 33 5.722 3.957 -0.966 12 HD11 ILE 33 1HD1 ILE 33 7.104 0.189 0.583 13 HD12 ILE 33 2HD1 ILE 33 6.082 -0.211 -0.820 14 HD13 ILE 33 3HD1 ILE 33 7.199 1.174 -0.896 15 H ARG 34 H ARG 34 3.149 5.342 -0.464 16 HA ARG 34 HA ARG 34 1.503 5.111 -2.942 17 HB2 ARG 34 1HB ARG 34 0.965 6.879 -0.536 18 HB3 ARG 34 2HB ARG 34 0.185 7.088 -2.097 19 HG2 ARG 34 1HG ARG 34 -0.750 4.790 -1.900 20 HG3 ARG 34 2HG ARG 34 -0.040 4.685 -0.271 21 HD2 ARG 34 1HD ARG 34 -1.350 6.559 0.458 22 HD3 ARG 34 2HD ARG 34 -1.999 6.779 -1.184 23 HE ARG 34 HE ARG 34 -2.541 4.137 -0.368 24 HH11 ARG 34 1HH1 ARG 34 -3.447 7.430 0.458 25 HH12 ARG 34 2HH1 ARG 34 -5.038 6.981 1.033 26 HH21 ARG 34 1HH2 ARG 34 -4.608 3.567 0.381 27 HH22 ARG 34 2HH2 ARG 34 -5.696 4.795 0.989 28 H VAL 35 H VAL 35 1.410 7.125 -4.204 29 HA VAL 35 HA VAL 35 3.449 9.152 -3.588 30 HB VAL 35 HB VAL 35 4.732 7.424 -4.823 31 HG11 VAL 35 1HG1 VAL 35 4.199 6.920 -7.157 32 HG12 VAL 35 2HG1 VAL 35 2.903 6.404 -6.052 33 HG13 VAL 35 3HG1 VAL 35 2.709 7.883 -7.024 34 HG21 VAL 35 1HG2 VAL 35 5.585 8.904 -6.613 35 HG22 VAL 35 2HG2 VAL 35 4.137 9.927 -6.454 36 HG23 VAL 35 3HG2 VAL 35 5.298 9.811 -5.109 37 H MET 36 H MET 36 2.925 11.121 -4.348 38 HA MET 36 HA MET 36 0.977 11.380 -6.541 39 HB2 MET 36 1HB MET 36 -0.585 12.740 -5.241 40 HB3 MET 36 2HB MET 36 -0.450 11.136 -4.536 41 HG2 MET 36 1HG MET 36 1.227 12.139 -2.895 42 HG3 MET 36 2HG MET 36 0.731 13.720 -3.503 43 HE1 MET 36 1HE MET 36 -1.904 10.774 -1.117 44 HE2 MET 36 2HE MET 36 -1.232 10.347 -2.710 45 HE3 MET 36 3HE MET 36 -0.142 10.643 -1.333 46 H ASP 37 H ASP 37 0.809 13.490 -7.404 47 HA ASP 37 HA ASP 37 3.231 14.983 -7.416 48 HB2 ASP 37 1HB ASP 37 0.406 15.729 -8.261 49 HB3 ASP 37 2HB ASP 37 1.800 16.767 -8.532 50 H HIS 38 H HIS 38 3.971 16.694 -6.314 51 HA HIS 38 HA HIS 38 2.808 17.420 -3.786 52 HB2 HIS 38 1HB HIS 38 5.260 17.619 -4.479 53 HB3 HIS 38 2HB HIS 38 4.802 19.053 -5.386 54 HD2 HIS 38 HD2 HIS 38 5.915 18.136 -1.883 55 HE1 HIS 38 HE1 HIS 38 4.066 21.964 -1.576 56 HE2 HIS 38 HE2 HIS 38 5.513 20.230 -0.391 57 HA PRO 39 HA PRO 39 -0.502 19.873 -4.954 58 HB2 PRO 39 1HB PRO 39 0.320 21.433 -2.457 59 HB3 PRO 39 2HB PRO 39 -1.301 20.939 -2.964 60 HG2 PRO 39 1HG PRO 39 -0.074 19.481 -1.114 61 HG3 PRO 39 2HG PRO 39 -0.928 18.649 -2.415 62 HD2 PRO 39 1HD PRO 39 2.049 19.136 -2.077 63 HD3 PRO 39 2HD PRO 39 1.194 17.676 -2.717 64 H THR 40 H THR 40 2.514 21.475 -3.902 65 HA THR 40 HA THR 40 1.890 23.756 -5.716 66 HB THR 40 HB THR 40 2.712 25.335 -3.966 67 HG1 THR 40 HG1 THR 40 3.908 23.772 -2.743 68 HG21 THR 40 1HG2 THR 40 0.707 25.247 -2.538 69 HG22 THR 40 2HG2 THR 40 0.289 24.937 -4.239 70 HG23 THR 40 3HG2 THR 40 0.383 23.586 -3.087 71 H MET 41 H MET 41 3.668 21.485 -6.055 72 HA MET 41 HA MET 41 5.983 23.149 -6.805 73 HB2 MET 41 1HB MET 41 6.193 20.660 -5.080 74 HB3 MET 41 2HB MET 41 7.543 21.265 -6.029 75 HG2 MET 41 1HG MET 41 7.364 23.440 -4.798 76 HG3 MET 41 2HG MET 41 6.116 22.713 -3.782 77 HE1 MET 41 1HE MET 41 9.225 22.874 -1.390 78 HE2 MET 41 2HE MET 41 8.777 24.054 -2.647 79 HE3 MET 41 3HE MET 41 7.518 23.325 -1.619 80 HA PRO 42 HA PRO 42 4.617 20.857 -10.339 81 HB2 PRO 42 1HB PRO 42 6.880 22.519 -11.516 82 HB3 PRO 42 2HB PRO 42 5.261 22.229 -12.165 83 HG2 PRO 42 1HG PRO 42 5.738 24.558 -10.974 84 HG3 PRO 42 2HG PRO 42 4.221 23.721 -10.627 85 HD2 PRO 42 1HD PRO 42 6.767 23.847 -8.967 86 HD3 PRO 42 2HD PRO 42 5.045 23.951 -8.424 87 H ASP 43 H ASP 43 7.826 21.154 -8.984 88 HA ASP 43 HA ASP 43 8.775 18.858 -10.647 89 HB2 ASP 43 1HB ASP 43 10.405 21.077 -9.344 90 HB3 ASP 43 2HB ASP 43 11.067 19.728 -10.257 91 H THR 44 H THR 44 7.249 18.753 -8.125 92 HA THR 44 HA THR 44 9.147 16.955 -6.738 93 HB THR 44 HB THR 44 7.501 19.037 -5.240 94 HG1 THR 44 HG1 THR 44 10.103 19.001 -6.220 95 HG21 THR 44 1HG2 THR 44 8.725 18.197 -3.275 96 HG22 THR 44 2HG2 THR 44 7.775 16.898 -4.034 97 HG23 THR 44 3HG2 THR 44 9.533 16.981 -4.292 98 H GLN 45 H GLN 45 8.251 15.114 -6.011 99 HA GLN 45 HA GLN 45 5.267 15.040 -5.837 100 HB2 GLN 45 1HB GLN 45 7.212 12.807 -6.547 101 HB3 GLN 45 2HB GLN 45 5.503 12.557 -6.222 102 HG2 GLN 45 1HG GLN 45 4.996 14.147 -8.108 103 HG3 GLN 45 2HG GLN 45 6.739 14.106 -8.498 104 HE21 GLN 45 1HE2 GLN 45 4.418 11.416 -10.154 105 HE22 GLN 45 2HE2 GLN 45 3.977 13.005 -9.622 106 H VAL 46 H VAL 46 4.417 13.450 -4.268 107 HA VAL 46 HA VAL 46 6.128 13.505 -1.817 108 HB VAL 46 HB VAL 46 3.091 13.647 -2.045 109 HG11 VAL 46 1HG1 VAL 46 3.128 14.032 0.371 110 HG12 VAL 46 2HG1 VAL 46 3.783 12.435 -0.060 111 HG13 VAL 46 3HG1 VAL 46 4.886 13.759 0.387 112 HG21 VAL 46 1HG2 VAL 46 3.393 15.947 -1.184 113 HG22 VAL 46 2HG2 VAL 46 5.158 15.728 -1.224 114 HG23 VAL 46 3HG2 VAL 46 4.227 15.728 -2.741 115 H VAL 47 H VAL 47 6.415 11.681 -0.668 116 HA VAL 47 HA VAL 47 5.078 9.231 -1.743 117 HB VAL 47 HB VAL 47 7.957 9.519 -0.775 118 HG11 VAL 47 1HG1 VAL 47 8.220 7.208 -1.534 119 HG12 VAL 47 2HG1 VAL 47 7.024 7.347 -0.225 120 HG13 VAL 47 3HG1 VAL 47 6.483 7.133 -1.906 121 HG21 VAL 47 1HG2 VAL 47 8.530 9.073 -3.141 122 HG22 VAL 47 2HG2 VAL 47 6.800 9.061 -3.556 123 HG23 VAL 47 3HG2 VAL 47 7.566 10.561 -2.982 124 H VAL 48 H VAL 48 4.297 7.782 -0.321 125 HA VAL 48 HA VAL 48 4.622 8.461 2.568 126 HB VAL 48 HB VAL 48 2.379 6.954 1.156 127 HG11 VAL 48 1HG1 VAL 48 1.234 7.026 3.318 128 HG12 VAL 48 2HG1 VAL 48 2.752 6.099 3.398 129 HG13 VAL 48 3HG1 VAL 48 2.682 7.750 4.058 130 HG21 VAL 48 1HG2 VAL 48 1.025 8.938 1.750 131 HG22 VAL 48 2HG2 VAL 48 2.472 9.717 2.436 132 HG23 VAL 48 3HG2 VAL 48 2.385 9.379 0.690 133 H ILE 49 H ILE 49 5.668 7.095 3.834 134 HA ILE 49 HA ILE 49 6.059 4.304 2.842 135 HB ILE 49 HB ILE 49 7.905 5.971 4.605 136 HG12 ILE 49 1HG1 ILE 49 9.370 5.347 2.436 137 HG13 ILE 49 2HG1 ILE 49 7.784 5.441 1.685 138 HG21 ILE 49 1HG2 ILE 49 9.453 4.071 4.378 139 HG22 ILE 49 2HG2 ILE 49 7.945 3.575 5.182 140 HG23 ILE 49 3HG2 ILE 49 8.216 3.167 3.472 141 HD11 ILE 49 1HD1 ILE 49 8.940 7.577 1.564 142 HD12 ILE 49 2HD1 ILE 49 7.482 7.711 2.576 143 HD13 ILE 49 3HD1 ILE 49 9.089 7.616 3.337 144 HA PRO 50 HA PRO 50 3.614 3.544 6.387 145 HB2 PRO 50 1HB PRO 50 3.140 0.877 5.951 146 HB3 PRO 50 2HB PRO 50 2.382 2.139 4.971 147 HG2 PRO 50 1HG PRO 50 4.879 0.492 4.370 148 HG3 PRO 50 2HG PRO 50 3.494 0.803 3.317 149 HD2 PRO 50 1HD PRO 50 5.778 2.276 3.119 150 HD3 PRO 50 2HD PRO 50 4.151 3.021 2.853 151 H LYS 51 H LYS 51 3.602 1.924 8.250 152 HA LYS 51 HA LYS 51 6.193 1.957 9.453 153 HB2 LYS 51 1HB LYS 51 4.054 2.065 10.726 154 HB3 LYS 51 2HB LYS 51 3.711 0.399 10.282 155 HG2 LYS 51 1HG LYS 51 5.673 -0.372 11.527 156 HG3 LYS 51 2HG LYS 51 6.097 1.300 11.922 157 HD2 LYS 51 1HD LYS 51 3.956 1.561 13.133 158 HD3 LYS 51 2HD LYS 51 3.525 -0.108 12.732 159 HE2 LYS 51 1HE LYS 51 5.508 -0.917 13.971 160 HE3 LYS 51 2HE LYS 51 5.939 0.747 14.372 161 HZ1 LYS 51 1HZ LYS 51 4.760 -0.314 16.154 162 HZ2 LYS 51 2HZ LYS 51 3.862 0.937 15.559 163 HZ3 LYS 51 3HZ LYS 51 3.461 -0.618 15.185 164 H SER 52 H SER 52 7.806 0.555 9.538 165 HA SER 52 HA SER 52 8.810 -1.557 9.670 166 HB2 SER 52 1HB SER 52 7.603 -3.521 9.556 167 HB3 SER 52 2HB SER 52 6.346 -2.386 10.019 168 HG SER 52 HG SER 52 5.455 -2.565 8.163 169 H ALA 53 H ALA 53 7.569 0.086 7.020 170 HA ALA 53 HA ALA 53 8.655 -1.605 4.930 171 HB1 ALA 53 1HB ALA 53 8.242 0.349 3.468 172 HB2 ALA 53 2HB ALA 53 6.824 -0.033 4.474 173 HB3 ALA 53 3HB ALA 53 7.875 1.334 4.904 174 H ASP 54 H ASP 54 10.485 -1.289 3.662 175 HA ASP 54 HA ASP 54 12.736 -0.073 5.106 176 HB2 ASP 54 1HB ASP 54 13.025 -2.265 4.011 177 HB3 ASP 54 2HB ASP 54 12.614 -1.562 2.452 178 H LEU 55 H LEU 55 12.871 2.068 5.010 179 HA LEU 55 HA LEU 55 11.851 3.717 2.964 180 HB2 LEU 55 1HB LEU 55 12.517 4.499 5.222 181 HB3 LEU 55 2HB LEU 55 14.215 4.243 4.804 182 HG LEU 55 HG LEU 55 14.022 5.987 3.041 183 HD11 LEU 55 1HD1 LEU 55 12.020 7.406 2.990 184 HD12 LEU 55 2HD1 LEU 55 11.644 5.721 2.558 185 HD13 LEU 55 3HD1 LEU 55 11.233 6.339 4.176 186 HD21 LEU 55 1HD2 LEU 55 13.872 7.889 4.614 187 HD22 LEU 55 2HD2 LEU 55 13.111 6.829 5.824 188 HD23 LEU 55 3HD2 LEU 55 14.796 6.542 5.324 189 H GLN 56 H GLN 56 14.929 2.031 3.226 190 HA GLN 56 HA GLN 56 16.282 3.632 1.237 191 HB2 GLN 56 1HB GLN 56 16.905 0.880 2.377 192 HB3 GLN 56 2HB GLN 56 17.972 1.763 1.296 193 HG2 GLN 56 1HG GLN 56 17.083 2.658 4.045 194 HG3 GLN 56 2HG GLN 56 18.684 2.008 3.593 195 HE21 GLN 56 1HE2 GLN 56 18.242 5.891 3.588 196 HE22 GLN 56 2HE2 GLN 56 17.418 4.728 4.572 197 H SER 57 H SER 57 14.536 0.541 1.178 198 HA SER 57 HA SER 57 14.986 -0.042 -1.582 199 HB2 SER 57 1HB SER 57 12.690 -0.712 0.283 200 HB3 SER 57 2HB SER 57 12.821 -1.339 -1.353 201 HG SER 57 HG SER 57 14.530 -1.719 0.834 202 H VAL 58 H VAL 58 12.520 1.908 0.082 203 HA VAL 58 HA VAL 58 10.990 2.550 -2.243 204 HB VAL 58 HB VAL 58 11.430 4.078 0.356 205 HG11 VAL 58 1HG1 VAL 58 9.426 5.355 -0.230 206 HG12 VAL 58 2HG1 VAL 58 10.749 5.623 -1.390 207 HG13 VAL 58 3HG1 VAL 58 9.388 4.562 -1.822 208 HG21 VAL 58 1HG2 VAL 58 9.199 3.165 0.916 209 HG22 VAL 58 2HG2 VAL 58 9.161 2.304 -0.640 210 HG23 VAL 58 3HG2 VAL 58 10.365 1.862 0.594 211 H ILE 59 H ILE 59 13.672 4.272 -0.616 212 HA ILE 59 HA ILE 59 13.772 6.491 -2.370 213 HB ILE 59 HB ILE 59 15.913 5.137 -0.692 214 HG12 ILE 59 1HG1 ILE 59 14.550 7.810 -0.331 215 HG13 ILE 59 2HG1 ILE 59 13.958 6.320 0.386 216 HG21 ILE 59 1HG2 ILE 59 17.310 7.122 -1.104 217 HG22 ILE 59 2HG2 ILE 59 16.997 6.236 -2.615 218 HG23 ILE 59 3HG2 ILE 59 16.104 7.733 -2.262 219 HD11 ILE 59 1HD1 ILE 59 15.285 7.592 1.976 220 HD12 ILE 59 2HD1 ILE 59 16.078 6.044 1.596 221 HD13 ILE 59 3HD1 ILE 59 16.679 7.554 0.870 222 H SER 60 H SER 60 15.438 3.343 -2.530 223 HA SER 60 HA SER 60 17.101 3.849 -4.729 224 HB2 SER 60 1HB SER 60 15.634 1.297 -3.983 225 HB3 SER 60 2HB SER 60 16.939 1.387 -5.155 226 HG SER 60 HG SER 60 17.037 2.095 -2.434 227 H VAL 61 H VAL 61 13.753 2.583 -4.750 228 HA VAL 61 HA VAL 61 13.476 2.444 -7.570 229 HB VAL 61 HB VAL 61 11.416 2.938 -5.382 230 HG11 VAL 61 1HG1 VAL 61 9.721 2.302 -7.026 231 HG12 VAL 61 2HG1 VAL 61 10.566 3.799 -7.486 232 HG13 VAL 61 3HG1 VAL 61 10.968 2.266 -8.295 233 HG21 VAL 61 1HG2 VAL 61 10.913 0.544 -5.744 234 HG22 VAL 61 2HG2 VAL 61 12.200 0.460 -6.970 235 HG23 VAL 61 3HG2 VAL 61 12.610 0.778 -5.267 236 H LEU 62 H LEU 62 12.909 5.107 -5.279 237 HA LEU 62 HA LEU 62 11.615 6.834 -7.162 238 HB2 LEU 62 1HB LEU 62 13.129 7.425 -4.596 239 HB3 LEU 62 2HB LEU 62 12.214 8.633 -5.502 240 HG LEU 62 HG LEU 62 11.017 6.132 -4.258 241 HD11 LEU 62 1HD1 LEU 62 10.096 7.680 -2.590 242 HD12 LEU 62 2HD1 LEU 62 11.876 7.668 -2.564 243 HD13 LEU 62 3HD1 LEU 62 11.005 9.019 -3.330 244 HD21 LEU 62 1HD2 LEU 62 8.881 7.277 -4.749 245 HD22 LEU 62 2HD2 LEU 62 9.772 8.611 -5.521 246 HD23 LEU 62 3HD2 LEU 62 9.809 6.984 -6.241 247 H THR 63 H THR 63 15.002 6.404 -6.205 248 HA THR 63 HA THR 63 15.978 8.706 -7.627 249 HB THR 63 HB THR 63 18.223 7.597 -7.380 250 HG1 THR 63 HG1 THR 63 16.553 5.460 -6.764 251 HG21 THR 63 1HG2 THR 63 18.254 7.674 -4.918 252 HG22 THR 63 2HG2 THR 63 17.296 9.019 -5.583 253 HG23 THR 63 3HG2 THR 63 16.477 7.601 -4.888 254 H ALA 64 H ALA 64 15.460 5.323 -8.500 255 HA ALA 64 HA ALA 64 16.696 5.471 -11.078 256 HB1 ALA 64 1HB ALA 64 15.343 3.466 -11.596 257 HB2 ALA 64 2HB ALA 64 16.139 3.333 -10.011 258 HB3 ALA 64 3HB ALA 64 14.406 3.724 -10.107 259 H LYS 65 H LYS 65 13.236 5.662 -10.164 260 HA LYS 65 HA LYS 65 12.400 6.370 -12.819 261 HB2 LYS 65 1HB LYS 65 11.035 6.659 -10.115 262 HB3 LYS 65 2HB LYS 65 10.251 7.040 -11.641 263 HG2 LYS 65 1HG LYS 65 11.348 4.321 -10.862 264 HG3 LYS 65 2HG LYS 65 9.647 4.808 -10.819 265 HD2 LYS 65 1HD LYS 65 9.659 5.172 -13.245 266 HD3 LYS 65 2HD LYS 65 11.384 4.780 -13.316 267 HE2 LYS 65 1HE LYS 65 10.879 2.500 -12.454 268 HE3 LYS 65 2HE LYS 65 9.159 2.894 -12.450 269 HZ1 LYS 65 1HZ LYS 65 9.788 1.712 -14.425 270 HZ2 LYS 65 2HZ LYS 65 9.290 3.233 -14.822 271 HZ3 LYS 65 3HZ LYS 65 10.897 2.862 -14.826 272 H GLY 66 H GLY 66 13.622 8.203 -10.125 273 HA2 GLY 66 1HA GLY 66 12.592 10.778 -10.825 274 HA3 GLY 66 2HA GLY 66 14.018 10.473 -9.854 275 H LYS 67 H LYS 67 15.023 8.769 -12.248 276 HA LYS 67 HA LYS 67 16.137 11.106 -13.737 277 HB2 LYS 67 1HB LYS 67 17.301 8.336 -13.245 278 HB3 LYS 67 2HB LYS 67 18.037 9.548 -14.282 279 HG2 LYS 67 1HG LYS 67 18.265 11.066 -12.340 280 HG3 LYS 67 2HG LYS 67 17.552 9.824 -11.302 281 HD2 LYS 67 1HD LYS 67 19.395 8.273 -11.919 282 HD3 LYS 67 2HD LYS 67 20.116 9.548 -12.912 283 HE2 LYS 67 1HE LYS 67 20.356 10.977 -10.914 284 HE3 LYS 67 2HE LYS 67 19.620 9.719 -9.917 285 HZ1 LYS 67 1HZ LYS 67 22.002 9.663 -9.792 286 HZ2 LYS 67 2HZ LYS 67 21.449 8.275 -10.491 287 HZ3 LYS 67 3HZ LYS 67 22.137 9.451 -11.422 288 H GLU 68 H GLU 68 14.600 7.957 -14.040 289 HA GLU 68 HA GLU 68 14.960 7.478 -16.780 290 HB2 GLU 68 1HB GLU 68 13.888 5.884 -15.215 291 HB3 GLU 68 2HB GLU 68 12.485 6.936 -15.091 292 HG2 GLU 68 1HG GLU 68 12.068 6.630 -17.516 293 HG3 GLU 68 2HG GLU 68 13.440 5.527 -17.592 294 H ALA 69 H ALA 69 12.383 9.372 -15.184 295 HA ALA 69 HA ALA 69 11.718 10.494 -17.864 296 HB1 ALA 69 1HB ALA 69 9.543 11.120 -16.867 297 HB2 ALA 69 2HB ALA 69 9.837 9.368 -16.760 298 HB3 ALA 69 3HB ALA 69 10.052 10.396 -15.324 299 H GLY 70 H GLY 70 11.002 11.812 -14.653 300 HA2 GLY 70 1HA GLY 70 12.027 13.652 -13.564 301 HA3 GLY 70 2HA GLY 70 13.036 13.926 -14.971 302 HA PRO 71 HA PRO 71 9.184 16.624 -15.188 303 HB2 PRO 71 1HB PRO 71 9.413 18.592 -13.354 304 HB3 PRO 71 2HB PRO 71 8.749 17.017 -12.895 305 HG2 PRO 71 1HG PRO 71 11.573 18.091 -12.502 306 HG3 PRO 71 2HG PRO 71 10.542 17.265 -11.330 307 HD2 PRO 71 1HD PRO 71 12.478 15.970 -12.835 308 HD3 PRO 71 2HD PRO 71 10.995 15.150 -12.202 309 H GLN 72 H GLN 72 9.362 19.294 -15.321 310 HA GLN 72 HA GLN 72 11.378 19.879 -17.256 311 HB2 GLN 72 1HB GLN 72 9.600 21.682 -15.573 312 HB3 GLN 72 2HB GLN 72 10.680 22.292 -16.817 313 HG2 GLN 72 1HG GLN 72 9.499 21.007 -18.520 314 HG3 GLN 72 2HG GLN 72 8.425 20.326 -17.264 315 HE21 GLN 72 1HE2 GLN 72 6.878 23.289 -19.053 316 HE22 GLN 72 2HE2 GLN 72 7.685 21.867 -19.624 317 H GLY 73 H GLY 73 11.168 20.511 -13.765 318 HA2 GLY 73 1HA GLY 73 13.920 21.636 -13.803 319 HA3 GLY 73 2HA GLY 73 12.805 21.676 -12.450 320 H ARG 74 H ARG 74 14.435 20.840 -11.065 321 HA ARG 74 HA ARG 74 15.507 18.160 -11.616 322 HB2 ARG 74 1HB ARG 74 15.823 20.035 -9.250 323 HB3 ARG 74 2HB ARG 74 16.605 18.468 -9.375 324 HG2 ARG 74 1HG ARG 74 17.836 19.213 -11.355 325 HG3 ARG 74 2HG ARG 74 17.022 20.792 -11.272 326 HD2 ARG 74 1HD ARG 74 17.972 21.136 -9.043 327 HD3 ARG 74 2HD ARG 74 18.836 19.589 -9.195 328 HE ARG 74 HE ARG 74 19.496 21.095 -11.448 329 HH11 ARG 74 1HH1 ARG 74 19.859 21.336 -7.961 330 HH12 ARG 74 2HH1 ARG 74 21.342 22.259 -8.054 331 HH21 ARG 74 1HH2 ARG 74 21.422 22.295 -11.554 332 HH22 ARG 74 2HH2 ARG 74 22.227 22.803 -10.087 333 H ASN 75 H ASN 75 14.889 16.281 -10.717 334 HA ASN 75 HA ASN 75 12.198 16.274 -9.577 335 HB2 ASN 75 1HB ASN 75 12.995 14.625 -11.295 336 HB3 ASN 75 2HB ASN 75 14.075 13.944 -10.086 337 HD21 ASN 75 1HD2 ASN 75 10.520 12.411 -10.351 338 HD22 ASN 75 2HD2 ASN 75 11.468 13.150 -11.599 339 H LYS 76 H LYS 76 11.791 16.575 -7.529 340 HA LYS 76 HA LYS 76 13.561 15.165 -5.574 341 HB2 LYS 76 1HB LYS 76 12.042 17.777 -5.216 342 HB3 LYS 76 2HB LYS 76 12.824 16.901 -3.908 343 HG2 LYS 76 1HG LYS 76 15.008 17.155 -5.105 344 HG3 LYS 76 2HG LYS 76 14.182 18.152 -6.311 345 HD2 LYS 76 1HD LYS 76 13.514 19.749 -4.558 346 HD3 LYS 76 2HD LYS 76 14.294 18.741 -3.330 347 HE2 LYS 76 1HE LYS 76 16.476 19.062 -4.464 348 HE3 LYS 76 2HE LYS 76 15.694 20.083 -5.673 349 HZ1 LYS 76 1HZ LYS 76 16.723 21.379 -3.954 350 HZ2 LYS 76 2HZ LYS 76 15.088 21.600 -3.915 351 HZ3 LYS 76 3HZ LYS 76 15.821 20.646 -2.785 352 H PHE 77 H PHE 77 12.589 14.149 -3.811 353 HA PHE 77 HA PHE 77 9.608 13.958 -3.950 354 HB2 PHE 77 1HB PHE 77 11.638 11.803 -3.256 355 HB3 PHE 77 2HB PHE 77 9.921 11.653 -2.924 356 HD1 PHE 77 HD1 PHE 77 12.504 11.625 -5.495 357 HD2 PHE 77 HD2 PHE 77 8.300 11.450 -4.753 358 HE1 PHE 77 HE1 PHE 77 12.137 10.764 -7.782 359 HE2 PHE 77 HE2 PHE 77 7.930 10.584 -7.038 360 HZ PHE 77 HZ PHE 77 9.849 10.242 -8.555 361 H ILE 78 H ILE 78 8.464 13.998 -2.039 362 HA ILE 78 HA ILE 78 10.049 14.593 0.412 363 HB ILE 78 HB ILE 78 7.078 15.015 -0.117 364 HG12 ILE 78 1HG1 ILE 78 8.425 16.486 -1.502 365 HG13 ILE 78 2HG1 ILE 78 7.617 17.388 -0.230 366 HG21 ILE 78 1HG2 ILE 78 7.151 16.317 1.972 367 HG22 ILE 78 2HG2 ILE 78 7.610 14.623 2.258 368 HG23 ILE 78 3HG2 ILE 78 8.863 15.884 2.187 369 HD11 ILE 78 1HD1 ILE 78 9.899 18.164 -0.539 370 HD12 ILE 78 2HD1 ILE 78 9.697 17.441 1.076 371 HD13 ILE 78 3HD1 ILE 78 10.518 16.527 -0.212 372 H LEU 79 H LEU 79 10.348 13.036 1.835 373 HA LEU 79 HA LEU 79 8.750 10.558 1.457 374 HB2 LEU 79 1HB LEU 79 11.362 10.897 2.961 375 HB3 LEU 79 2HB LEU 79 10.603 9.384 2.458 376 HG LEU 79 HG LEU 79 11.895 11.462 0.660 377 HD11 LEU 79 1HD1 LEU 79 13.451 9.628 0.172 378 HD12 LEU 79 2HD1 LEU 79 13.450 10.046 1.901 379 HD13 LEU 79 3HD1 LEU 79 12.594 8.591 1.338 380 HD21 LEU 79 1HD2 LEU 79 11.348 9.897 -1.173 381 HD22 LEU 79 2HD2 LEU 79 10.461 8.863 -0.027 382 HD23 LEU 79 3HD2 LEU 79 9.870 10.504 -0.387 383 H LEU 80 H LEU 80 7.152 10.200 2.821 384 HA LEU 80 HA LEU 80 7.348 11.441 5.533 385 HB2 LEU 80 1HB LEU 80 5.638 12.508 4.165 386 HB3 LEU 80 2HB LEU 80 4.926 10.941 3.768 387 HG LEU 80 HG LEU 80 4.353 10.661 6.205 388 HD11 LEU 80 1HD1 LEU 80 4.426 12.658 7.627 389 HD12 LEU 80 2HD1 LEU 80 6.054 12.154 7.117 390 HD13 LEU 80 3HD1 LEU 80 5.268 13.547 6.337 391 HD21 LEU 80 1HD2 LEU 80 2.467 12.256 6.111 392 HD22 LEU 80 2HD2 LEU 80 3.281 13.141 4.797 393 HD23 LEU 80 3HD2 LEU 80 2.721 11.472 4.533 394 H SER 81 H SER 81 7.317 10.144 7.226 395 HA SER 81 HA SER 81 6.854 7.266 6.758 396 HB2 SER 81 1HB SER 81 7.904 8.802 9.156 397 HB3 SER 81 2HB SER 81 7.736 7.056 9.095 398 HG SER 81 HG SER 81 9.229 6.935 7.559 399 H GLY 82 H GLY 82 5.134 6.158 7.395 400 HA2 GLY 82 1HA GLY 82 3.606 5.778 9.371 401 HA3 GLY 82 2HA GLY 82 3.235 7.492 9.296 402 H ASP 83 H ASP 83 1.236 5.568 9.173 403 HA ASP 83 HA ASP 83 0.546 5.133 6.345 404 HB2 ASP 83 1HB ASP 83 -0.871 4.410 8.938 405 HB3 ASP 83 2HB ASP 83 -1.504 4.037 7.341 406 H THR 84 H THR 84 -0.272 6.739 5.214 407 HA THR 84 HA THR 84 -1.874 8.819 6.568 408 HB THR 84 HB THR 84 -1.744 10.041 4.452 409 HG1 THR 84 HG1 THR 84 -1.875 8.480 2.902 410 HG21 THR 84 1HG2 THR 84 0.701 10.263 4.250 411 HG22 THR 84 2HG2 THR 84 0.211 10.155 5.958 412 HG23 THR 84 3HG2 THR 84 0.918 8.740 5.143 413 H SER 85 H SER 85 -3.800 9.662 5.246 414 HA SER 85 HA SER 85 -5.556 7.336 4.692 415 HB2 SER 85 1HB SER 85 -6.423 8.953 6.269 416 HB3 SER 85 2HB SER 85 -6.124 10.277 5.154 417 HG SER 85 HG SER 85 -8.265 9.591 5.147 418 H ALA 569 1H ALA 569 7.480 22.033 1.223 419 HA ALA 569 HA ALA 569 9.257 22.863 2.539 420 HB1 ALA 569 1HB ALA 569 9.236 21.058 4.230 421 HB2 ALA 569 2HB ALA 569 7.615 21.351 3.559 422 HB3 ALA 569 3HB ALA 569 8.559 19.943 3.020 423 H GLN 570 H GLN 570 11.363 22.982 2.961 424 HA GLN 570 HA GLN 570 13.124 20.812 1.941 425 HB2 GLN 570 1HB GLN 570 13.123 22.443 0.148 426 HB3 GLN 570 2HB GLN 570 13.357 23.770 1.276 427 HG2 GLN 570 1HG GLN 570 15.425 23.345 0.176 428 HG3 GLN 570 2HG GLN 570 15.584 22.799 1.870 429 HE21 GLN 570 1HE2 GLN 570 16.638 19.634 0.969 430 HE22 GLN 570 2HE2 GLN 570 16.616 20.941 2.106 431 H ALA 571 H ALA 571 14.207 20.095 3.619 432 HA ALA 571 HA ALA 571 14.549 21.552 6.041 433 HB1 ALA 571 1HB ALA 571 16.115 19.738 6.661 434 HB2 ALA 571 2HB ALA 571 14.616 19.099 5.947 435 HB3 ALA 571 3HB ALA 571 16.106 19.165 4.978 436 H GLY 572 H GLY 572 16.074 22.863 6.819 437 HA2 GLY 572 1HA GLY 572 18.263 23.731 7.054 438 HA3 GLY 572 2HA GLY 572 18.742 22.934 5.565 439 H ALA 573 H ALA 573 15.936 24.247 4.663 440 HA ALA 573 HA ALA 573 17.278 26.494 3.353 441 HB1 ALA 573 1HB ALA 573 15.132 26.755 2.151 442 HB2 ALA 573 2HB ALA 573 15.728 25.080 2.079 443 HB3 ALA 573 3HB ALA 573 14.407 25.507 3.190 444 H ALA 574 H ALA 574 16.652 28.684 3.451 445 HA ALA 574 HA ALA 574 15.491 29.723 5.837 446 HB1 ALA 574 1HB ALA 574 15.219 31.814 4.540 447 HB2 ALA 574 2HB ALA 574 16.832 31.100 4.310 448 HB3 ALA 574 3HB ALA 574 15.595 30.925 3.045 449 H ASN 575 H ASN 575 14.093 28.459 2.887 450 HA ASN 575 HA ASN 575 11.435 29.500 3.368 451 HB2 ASN 575 1HB ASN 575 12.609 28.452 1.198 452 HB3 ASN 575 2HB ASN 575 11.848 26.988 1.803 453 HD21 ASN 575 1HD2 ASN 575 9.632 29.035 -0.508 454 HD22 ASN 575 2HD2 ASN 575 11.312 28.624 -0.594 455 H ARG 576 H ARG 576 9.593 27.722 3.351 456 HA ARG 576 HA ARG 576 9.406 26.761 5.977 457 HB2 ARG 576 1HB ARG 576 7.488 27.046 4.427 458 HB3 ARG 576 2HB ARG 576 8.026 25.648 3.510 459 HG2 ARG 576 1HG ARG 576 7.631 24.193 5.425 460 HG3 ARG 576 2HG ARG 576 7.168 25.598 6.414 461 HD2 ARG 576 1HD ARG 576 5.318 26.049 4.910 462 HD3 ARG 576 2HD ARG 576 5.782 24.646 3.919 463 HE ARG 576 HE ARG 576 5.462 23.744 6.553 464 HH11 ARG 576 1HH1 ARG 576 3.507 25.136 3.989 465 HH12 ARG 576 2HH1 ARG 576 2.038 24.338 4.504 466 HH21 ARG 576 1HH2 ARG 576 3.549 22.713 7.213 467 HH22 ARG 576 2HH2 ARG 576 2.061 22.966 6.329 468 H SER 577 H SER 577 10.324 25.165 7.047 469 HA SER 577 HA SER 577 11.879 23.137 5.606 470 HB2 SER 577 1HB SER 577 12.636 22.450 7.794 471 HB3 SER 577 2HB SER 577 12.705 24.203 7.695 472 HG SER 577 HG SER 577 11.380 22.668 9.380 473 H LEU 578 H LEU 578 11.710 20.827 6.255 474 HA LEU 578 HA LEU 578 8.886 19.983 6.196 475 HB2 LEU 578 1HB LEU 578 10.531 18.927 4.686 476 HB3 LEU 578 2HB LEU 578 11.462 18.374 6.082 477 HG LEU 578 HG LEU 578 9.551 16.945 6.771 478 HD11 LEU 578 1HD1 LEU 578 7.679 16.626 5.214 479 HD12 LEU 578 2HD1 LEU 578 7.754 18.298 5.819 480 HD13 LEU 578 3HD1 LEU 578 8.323 17.920 4.177 481 HD21 LEU 578 1HD2 LEU 578 9.800 15.311 4.933 482 HD22 LEU 578 2HD2 LEU 578 10.472 16.587 3.889 483 HD23 LEU 578 3HD2 LEU 578 11.362 16.061 5.339 484 H THR 579 H THR 579 7.770 19.572 7.960 485 HA THR 579 HA THR 579 8.947 19.780 10.549 486 HB THR 579 HB THR 579 6.226 18.678 9.725 487 HG1 THR 579 HG1 THR 579 7.230 21.248 10.394 488 HG21 THR 579 1HG2 THR 579 5.580 19.130 12.058 489 HG22 THR 579 2HG2 THR 579 6.885 17.923 11.983 490 HG23 THR 579 3HG2 THR 579 7.252 19.604 12.435 491 H GLU 580 H GLU 580 7.792 16.954 8.702 492 HA GLU 580 HA GLU 580 9.662 15.274 10.245 493 HB2 GLU 580 1HB GLU 580 7.522 15.193 11.527 494 HB3 GLU 580 2HB GLU 580 6.688 14.635 10.082 495 HG2 GLU 580 1HG GLU 580 7.985 12.586 10.063 496 HG3 GLU 580 2HG GLU 580 8.968 13.155 11.410 497 H GLY 581 H GLY 581 10.569 13.725 9.056 498 HA2 GLY 581 1HA GLY 581 10.244 12.017 7.241 499 HA3 GLY 581 2HA GLY 581 9.417 13.264 6.324 500 H PHE 582 H PHE 582 11.141 12.512 4.747 501 HA PHE 582 HA PHE 582 13.615 14.137 5.165 502 HB2 PHE 582 1HB PHE 582 13.406 11.479 3.693 503 HB3 PHE 582 2HB PHE 582 14.861 12.447 3.873 504 HD1 PHE 582 HD1 PHE 582 12.479 10.238 5.578 505 HD2 PHE 582 HD2 PHE 582 16.068 12.522 5.965 506 HE1 PHE 582 HE1 PHE 582 13.001 9.056 7.686 507 HE2 PHE 582 HE2 PHE 582 16.594 11.341 8.073 508 HZ PHE 582 HZ PHE 582 15.059 9.608 8.933 509 H VAL 583 H VAL 583 14.629 14.942 3.232 510 HA VAL 583 HA VAL 583 12.727 15.164 0.936 511 HB VAL 583 HB VAL 583 14.960 17.071 1.757 512 HG11 VAL 583 1HG1 VAL 583 14.039 18.549 0.039 513 HG12 VAL 583 2HG1 VAL 583 14.635 17.019 -0.647 514 HG13 VAL 583 3HG1 VAL 583 12.887 17.278 -0.434 515 HG21 VAL 583 1HG2 VAL 583 13.106 18.603 2.337 516 HG22 VAL 583 2HG2 VAL 583 11.930 17.328 1.937 517 HG23 VAL 583 3HG2 VAL 583 13.041 17.116 3.312 518 H LEU 584 H LEU 584 13.285 14.135 -0.853 519 HA LEU 584 HA LEU 584 16.070 13.087 -0.987 520 HB2 LEU 584 1HB LEU 584 14.369 11.363 -0.865 521 HB3 LEU 584 2HB LEU 584 13.467 12.095 -2.196 522 HG LEU 584 HG LEU 584 15.398 11.568 -3.715 523 HD11 LEU 584 1HD1 LEU 584 17.077 9.963 -2.919 524 HD12 LEU 584 2HD1 LEU 584 17.147 11.494 -2.015 525 HD13 LEU 584 3HD1 LEU 584 16.391 10.060 -1.281 526 HD21 LEU 584 1HD2 LEU 584 14.878 9.153 -3.819 527 HD22 LEU 584 2HD2 LEU 584 14.161 9.237 -2.192 528 HD23 LEU 584 3HD2 LEU 584 13.405 10.114 -3.544 529 H ASP 585 H ASP 585 17.393 14.062 -2.340 530 HA ASP 585 HA ASP 585 16.287 15.299 -4.803 531 HB2 ASP 585 1HB ASP 585 17.833 16.668 -3.452 532 HB3 ASP 585 2HB ASP 585 19.073 15.428 -3.581 533 H THR 586 H THR 586 16.079 13.990 -6.481 534 HA THR 586 HA THR 586 17.713 11.532 -6.552 535 HB THR 586 HB THR 586 16.130 10.791 -8.308 536 HG1 THR 586 HG1 THR 586 15.216 13.464 -8.030 537 HG21 THR 586 1HG2 THR 586 14.099 10.722 -6.916 538 HG22 THR 586 2HG2 THR 586 15.553 10.430 -5.933 539 HG23 THR 586 3HG2 THR 586 14.754 12.018 -5.889 540 H MET 587 H MET 587 18.089 14.593 -7.664 541 HA MET 587 HA MET 587 19.285 13.762 -10.254 542 HB2 MET 587 1HB MET 587 18.716 16.490 -9.040 543 HB3 MET 587 2HB MET 587 19.584 16.266 -10.550 544 HG2 MET 587 1HG MET 587 16.737 15.375 -10.012 545 HG3 MET 587 2HG MET 587 17.220 16.817 -10.908 546 HE1 MET 587 1HE MET 587 15.764 14.245 -13.580 547 HE2 MET 587 2HE MET 587 15.279 14.342 -11.870 548 HE3 MET 587 3HE MET 587 15.530 15.833 -12.811 549 H ASN 588 H ASN 588 20.127 15.162 -7.111 550 HA ASN 588 HA ASN 588 23.003 14.887 -7.846 551 HB2 ASN 588 1HB ASN 588 21.626 16.362 -5.581 552 HB3 ASN 588 2HB ASN 588 23.369 16.163 -5.695 553 HD21 ASN 588 1HD2 ASN 588 21.479 19.033 -7.771 554 HD22 ASN 588 2HD2 ASN 588 20.688 18.000 -6.628 555 H ASP 589 H ASP 589 20.701 12.951 -6.736 556 HA ASP 589 HA ASP 589 20.686 11.048 -5.432 557 HB2 ASP 589 1HB ASP 589 23.631 11.219 -6.165 558 HB3 ASP 589 2HB ASP 589 22.934 9.840 -5.326 559 H SER 590 H SER 590 20.361 13.043 -3.784 560 HA SER 590 HA SER 590 22.121 12.401 -1.478 561 HB2 SER 590 1HB SER 590 23.075 14.415 -2.490 562 HB3 SER 590 2HB SER 590 21.504 15.201 -2.477 563 HG SER 590 HG SER 590 21.775 14.428 -0.080 564 H LEU 591 H LEU 591 20.975 11.955 0.259 565 HA LEU 591 HA LEU 591 18.154 12.864 0.380 566 HB2 LEU 591 1HB LEU 591 18.668 10.465 0.755 567 HB3 LEU 591 2HB LEU 591 19.680 10.905 2.134 568 HG LEU 591 HG LEU 591 17.607 11.887 3.217 569 HD11 LEU 591 1HD1 LEU 591 15.440 11.151 2.329 570 HD12 LEU 591 2HD1 LEU 591 16.300 12.202 1.178 571 HD13 LEU 591 3HD1 LEU 591 16.260 10.441 0.918 572 HD21 LEU 591 1HD2 LEU 591 16.749 9.664 3.871 573 HD22 LEU 591 2HD2 LEU 591 17.587 8.931 2.481 574 HD23 LEU 591 3HD2 LEU 591 18.528 9.668 3.800 575 H SER 592 H SER 592 17.583 14.570 1.514 576 HA SER 592 HA SER 592 19.521 15.663 3.483 577 HB2 SER 592 1HB SER 592 18.800 17.218 1.772 578 HB3 SER 592 2HB SER 592 17.109 16.869 2.096 579 HG SER 592 HG SER 592 17.698 17.544 4.322 580 H LYS 593 H LYS 593 19.135 15.798 5.600 581 HA LYS 593 HA LYS 593 16.398 15.052 6.542 582 HB2 LYS 593 1HB LYS 593 17.417 13.881 8.439 583 HB3 LYS 593 2HB LYS 593 17.965 13.184 6.922 584 HG2 LYS 593 1HG LYS 593 20.087 14.459 7.120 585 HG3 LYS 593 2HG LYS 593 19.535 15.095 8.675 586 HD2 LYS 593 1HD LYS 593 19.349 12.768 9.540 587 HD3 LYS 593 2HD LYS 593 19.959 12.162 7.994 588 HE2 LYS 593 1HE LYS 593 22.058 13.431 8.325 589 HE3 LYS 593 2HE LYS 593 21.452 14.031 9.871 590 HZ1 LYS 593 1HZ LYS 593 22.888 12.149 10.158 591 HZ2 LYS 593 2HZ LYS 593 21.362 11.763 10.651 592 HZ3 LYS 593 3HZ LYS 593 21.929 11.202 9.207 Start of MODEL 7 1 H GLY 32 1H GLY 32 -0.193 -0.752 0.221 2 HA2 GLY 32 1HA GLY 32 1.772 -0.353 1.470 3 HA3 GLY 32 2HA GLY 32 2.128 -0.712 -0.209 4 H ILE 33 H ILE 33 3.577 0.593 -1.123 5 HA ILE 33 HA ILE 33 4.071 3.272 -0.020 6 HB ILE 33 HB ILE 33 5.357 1.847 -2.390 7 HG12 ILE 33 1HG1 ILE 33 5.729 0.617 -0.335 8 HG13 ILE 33 2HG1 ILE 33 7.211 1.393 -0.870 9 HG21 ILE 33 1HG2 ILE 33 7.128 3.536 -2.127 10 HG22 ILE 33 2HG2 ILE 33 5.565 4.301 -2.495 11 HG23 ILE 33 3HG2 ILE 33 6.193 4.320 -0.831 12 HD11 ILE 33 1HD1 ILE 33 6.946 1.573 1.540 13 HD12 ILE 33 2HD1 ILE 33 6.885 3.181 0.782 14 HD13 ILE 33 3HD1 ILE 33 5.384 2.394 1.325 15 H ARG 34 H ARG 34 3.267 5.111 -0.747 16 HA ARG 34 HA ARG 34 1.804 5.023 -3.354 17 HB2 ARG 34 1HB ARG 34 1.101 6.658 -0.893 18 HB3 ARG 34 2HB ARG 34 0.210 6.623 -2.407 19 HG2 ARG 34 1HG ARG 34 -0.054 4.082 -1.944 20 HG3 ARG 34 2HG ARG 34 0.402 4.514 -0.277 21 HD2 ARG 34 1HD ARG 34 -1.886 5.640 -1.875 22 HD3 ARG 34 2HD ARG 34 -1.984 4.500 -0.514 23 HE ARG 34 HE ARG 34 -1.513 7.376 -0.398 24 HH11 ARG 34 1HH1 ARG 34 -1.359 4.303 1.299 25 HH12 ARG 34 2HH1 ARG 34 -1.387 5.037 2.887 26 HH21 ARG 34 1HH2 ARG 34 -1.547 8.315 1.669 27 HH22 ARG 34 2HH2 ARG 34 -1.492 7.308 3.098 28 H VAL 35 H VAL 35 1.484 7.183 -4.356 29 HA VAL 35 HA VAL 35 3.459 9.235 -3.621 30 HB VAL 35 HB VAL 35 4.763 7.682 -5.056 31 HG11 VAL 35 1HG1 VAL 35 4.164 7.377 -7.409 32 HG12 VAL 35 2HG1 VAL 35 2.931 6.706 -6.315 33 HG13 VAL 35 3HG1 VAL 35 2.644 8.260 -7.136 34 HG21 VAL 35 1HG2 VAL 35 5.491 9.358 -6.724 35 HG22 VAL 35 2HG2 VAL 35 4.011 10.300 -6.421 36 HG23 VAL 35 3HG2 VAL 35 5.224 10.108 -5.132 37 H MET 36 H MET 36 2.834 11.242 -4.188 38 HA MET 36 HA MET 36 0.820 11.561 -6.336 39 HB2 MET 36 1HB MET 36 -0.615 12.975 -4.943 40 HB3 MET 36 2HB MET 36 -0.502 11.358 -4.263 41 HG2 MET 36 1HG MET 36 1.181 12.191 -2.632 42 HG3 MET 36 2HG MET 36 0.980 13.817 -3.289 43 HE1 MET 36 1HE MET 36 -0.822 14.019 0.197 44 HE2 MET 36 2HE MET 36 0.629 13.065 -0.203 45 HE3 MET 36 3HE MET 36 0.439 14.715 -0.849 46 H ASP 37 H ASP 37 0.665 13.668 -7.194 47 HA ASP 37 HA ASP 37 3.161 15.042 -7.362 48 HB2 ASP 37 1HB ASP 37 0.341 15.851 -8.156 49 HB3 ASP 37 2HB ASP 37 1.750 16.849 -8.487 50 H HIS 38 H HIS 38 3.962 16.852 -6.432 51 HA HIS 38 HA HIS 38 2.898 17.714 -3.882 52 HB2 HIS 38 1HB HIS 38 5.354 17.779 -4.766 53 HB3 HIS 38 2HB HIS 38 4.881 19.292 -5.525 54 HD2 HIS 38 HD2 HIS 38 5.884 17.936 -2.054 55 HE1 HIS 38 HE1 HIS 38 4.714 22.004 -1.560 56 HE2 HIS 38 HE2 HIS 38 5.807 19.986 -0.450 57 HA PRO 39 HA PRO 39 -0.113 20.392 -5.337 58 HB2 PRO 39 1HB PRO 39 -0.630 21.793 -3.004 59 HB3 PRO 39 2HB PRO 39 -1.134 20.118 -3.259 60 HG2 PRO 39 1HG PRO 39 1.353 21.170 -1.844 61 HG3 PRO 39 2HG PRO 39 0.210 19.947 -1.282 62 HD2 PRO 39 1HD PRO 39 2.540 19.208 -2.439 63 HD3 PRO 39 2HD PRO 39 1.018 18.288 -2.772 64 H THR 40 H THR 40 2.928 21.483 -4.156 65 HA THR 40 HA THR 40 2.363 24.266 -5.089 66 HB THR 40 HB THR 40 4.434 23.318 -3.060 67 HG1 THR 40 HG1 THR 40 1.906 24.595 -2.867 68 HG21 THR 40 1HG2 THR 40 4.858 25.722 -2.724 69 HG22 THR 40 2HG2 THR 40 5.215 25.242 -4.400 70 HG23 THR 40 3HG2 THR 40 3.709 26.110 -4.025 71 H MET 41 H MET 41 5.108 21.975 -4.737 72 HA MET 41 HA MET 41 6.638 23.576 -6.644 73 HB2 MET 41 1HB MET 41 7.244 21.044 -5.080 74 HB3 MET 41 2HB MET 41 8.381 21.747 -6.222 75 HG2 MET 41 1HG MET 41 8.394 23.842 -4.896 76 HG3 MET 41 2HG MET 41 7.290 23.099 -3.737 77 HE1 MET 41 1HE MET 41 9.394 20.528 -1.860 78 HE2 MET 41 2HE MET 41 7.968 21.596 -1.830 79 HE3 MET 41 3HE MET 41 8.097 20.315 -3.061 80 HA PRO 42 HA PRO 42 4.915 21.571 -10.118 81 HB2 PRO 42 1HB PRO 42 7.452 22.754 -11.336 82 HB3 PRO 42 2HB PRO 42 5.808 22.759 -11.986 83 HG2 PRO 42 1HG PRO 42 6.694 24.971 -10.810 84 HG3 PRO 42 2HG PRO 42 5.056 24.421 -10.450 85 HD2 PRO 42 1HD PRO 42 7.587 24.128 -8.795 86 HD3 PRO 42 2HD PRO 42 5.901 24.494 -8.252 87 H ASP 43 H ASP 43 8.285 21.284 -9.083 88 HA ASP 43 HA ASP 43 8.506 18.709 -10.586 89 HB2 ASP 43 1HB ASP 43 10.686 20.676 -9.774 90 HB3 ASP 43 2HB ASP 43 10.982 19.105 -10.506 91 H THR 44 H THR 44 7.247 18.787 -8.083 92 HA THR 44 HA THR 44 9.128 16.942 -6.711 93 HB THR 44 HB THR 44 7.420 19.001 -5.248 94 HG1 THR 44 HG1 THR 44 10.030 18.994 -6.159 95 HG21 THR 44 1HG2 THR 44 8.558 18.137 -3.242 96 HG22 THR 44 2HG2 THR 44 7.633 16.851 -4.051 97 HG23 THR 44 3HG2 THR 44 9.401 16.927 -4.236 98 H GLN 45 H GLN 45 8.233 15.091 -5.971 99 HA GLN 45 HA GLN 45 5.248 15.018 -5.801 100 HB2 GLN 45 1HB GLN 45 7.190 12.777 -6.485 101 HB3 GLN 45 2HB GLN 45 5.489 12.521 -6.126 102 HG2 GLN 45 1HG GLN 45 4.955 14.089 -8.037 103 HG3 GLN 45 2HG GLN 45 6.688 14.006 -8.461 104 HE21 GLN 45 1HE2 GLN 45 4.279 11.310 -9.986 105 HE22 GLN 45 2HE2 GLN 45 3.874 12.919 -9.486 106 H VAL 46 H VAL 46 4.356 13.612 -4.156 107 HA VAL 46 HA VAL 46 6.142 13.505 -1.764 108 HB VAL 46 HB VAL 46 3.101 13.671 -1.910 109 HG11 VAL 46 1HG1 VAL 46 3.204 13.978 0.515 110 HG12 VAL 46 2HG1 VAL 46 3.840 12.392 0.017 111 HG13 VAL 46 3HG1 VAL 46 4.960 13.698 0.475 112 HG21 VAL 46 1HG2 VAL 46 3.437 15.941 -0.984 113 HG22 VAL 46 2HG2 VAL 46 5.201 15.716 -1.078 114 HG23 VAL 46 3HG2 VAL 46 4.229 15.769 -2.568 115 H VAL 47 H VAL 47 6.494 11.629 -0.742 116 HA VAL 47 HA VAL 47 5.087 9.236 -1.857 117 HB VAL 47 HB VAL 47 7.981 9.436 -0.921 118 HG11 VAL 47 1HG1 VAL 47 8.199 7.176 -1.834 119 HG12 VAL 47 2HG1 VAL 47 7.017 7.247 -0.507 120 HG13 VAL 47 3HG1 VAL 47 6.456 7.154 -2.194 121 HG21 VAL 47 1HG2 VAL 47 8.527 9.139 -3.317 122 HG22 VAL 47 2HG2 VAL 47 6.793 9.183 -3.715 123 HG23 VAL 47 3HG2 VAL 47 7.591 10.628 -3.050 124 H VAL 48 H VAL 48 4.240 7.810 -0.469 125 HA VAL 48 HA VAL 48 4.528 8.466 2.423 126 HB VAL 48 HB VAL 48 2.352 6.903 0.966 127 HG11 VAL 48 1HG1 VAL 48 1.135 7.017 3.085 128 HG12 VAL 48 2HG1 VAL 48 2.659 6.111 3.239 129 HG13 VAL 48 3HG1 VAL 48 2.547 7.778 3.854 130 HG21 VAL 48 1HG2 VAL 48 0.955 8.885 1.462 131 HG22 VAL 48 2HG2 VAL 48 2.367 9.699 2.176 132 HG23 VAL 48 3HG2 VAL 48 2.343 9.317 0.438 133 H ILE 49 H ILE 49 5.629 7.150 3.691 134 HA ILE 49 HA ILE 49 5.955 4.311 2.817 135 HB ILE 49 HB ILE 49 8.013 6.040 4.257 136 HG12 ILE 49 1HG1 ILE 49 9.194 5.317 1.947 137 HG13 ILE 49 2HG1 ILE 49 7.532 5.427 1.392 138 HG21 ILE 49 1HG2 ILE 49 9.502 4.112 3.911 139 HG22 ILE 49 2HG2 ILE 49 8.097 3.664 4.906 140 HG23 ILE 49 3HG2 ILE 49 8.158 3.196 3.191 141 HD11 ILE 49 1HD1 ILE 49 8.706 7.531 1.067 142 HD12 ILE 49 2HD1 ILE 49 7.388 7.727 2.246 143 HD13 ILE 49 3HD1 ILE 49 9.073 7.615 2.806 144 HA PRO 50 HA PRO 50 3.704 4.003 6.660 145 HB2 PRO 50 1HB PRO 50 3.907 1.091 5.811 146 HB3 PRO 50 2HB PRO 50 2.502 1.975 6.419 147 HG2 PRO 50 1HG PRO 50 2.668 1.513 3.803 148 HG3 PRO 50 2HG PRO 50 2.143 3.106 4.355 149 HD2 PRO 50 1HD PRO 50 4.885 2.226 3.365 150 HD3 PRO 50 2HD PRO 50 3.968 3.738 2.985 151 H LYS 51 H LYS 51 4.176 3.086 8.732 152 HA LYS 51 HA LYS 51 6.947 2.853 9.345 153 HB2 LYS 51 1HB LYS 51 4.528 1.972 10.973 154 HB3 LYS 51 2HB LYS 51 6.164 2.137 11.597 155 HG2 LYS 51 1HG LYS 51 4.566 4.420 10.405 156 HG3 LYS 51 2HG LYS 51 4.659 4.050 12.133 157 HD2 LYS 51 1HD LYS 51 7.159 4.287 11.989 158 HD3 LYS 51 2HD LYS 51 6.967 4.812 10.308 159 HE2 LYS 51 1HE LYS 51 5.530 6.689 11.076 160 HE3 LYS 51 2HE LYS 51 5.772 6.179 12.748 161 HZ1 LYS 51 1HZ LYS 51 7.263 7.938 12.137 162 HZ2 LYS 51 2HZ LYS 51 8.123 6.570 12.464 163 HZ3 LYS 51 3HZ LYS 51 7.896 7.047 10.903 164 H SER 52 H SER 52 8.307 1.194 9.680 165 HA SER 52 HA SER 52 8.979 -1.039 9.928 166 HB2 SER 52 1HB SER 52 7.472 -2.779 10.129 167 HB3 SER 52 2HB SER 52 6.470 -1.416 10.601 168 HG SER 52 HG SER 52 5.349 -1.603 8.877 169 H ALA 53 H ALA 53 7.633 0.521 7.249 170 HA ALA 53 HA ALA 53 8.513 -1.442 5.275 171 HB1 ALA 53 1HB ALA 53 8.024 0.346 3.639 172 HB2 ALA 53 2HB ALA 53 6.667 0.091 4.761 173 HB3 ALA 53 3HB ALA 53 7.750 1.485 4.976 174 H ASP 54 H ASP 54 10.214 -1.160 3.770 175 HA ASP 54 HA ASP 54 12.608 -0.036 5.045 176 HB2 ASP 54 1HB ASP 54 12.692 -2.252 3.940 177 HB3 ASP 54 2HB ASP 54 12.259 -1.513 2.405 178 H LEU 55 H LEU 55 12.737 2.119 4.943 179 HA LEU 55 HA LEU 55 11.745 3.746 2.849 180 HB2 LEU 55 1HB LEU 55 12.392 4.521 5.138 181 HB3 LEU 55 2HB LEU 55 14.089 4.323 4.692 182 HG LEU 55 HG LEU 55 13.811 6.057 2.934 183 HD11 LEU 55 1HD1 LEU 55 11.757 7.401 2.902 184 HD12 LEU 55 2HD1 LEU 55 11.438 5.703 2.478 185 HD13 LEU 55 3HD1 LEU 55 11.024 6.308 4.100 186 HD21 LEU 55 1HD2 LEU 55 13.609 7.956 4.504 187 HD22 LEU 55 2HD2 LEU 55 12.901 6.871 5.725 188 HD23 LEU 55 3HD2 LEU 55 14.588 6.645 5.206 189 H GLN 56 H GLN 56 14.763 1.988 3.183 190 HA GLN 56 HA GLN 56 16.221 3.570 1.253 191 HB2 GLN 56 1HB GLN 56 16.733 0.799 2.403 192 HB3 GLN 56 2HB GLN 56 17.855 1.648 1.350 193 HG2 GLN 56 1HG GLN 56 16.916 2.585 4.068 194 HG3 GLN 56 2HG GLN 56 18.504 1.868 3.674 195 HE21 GLN 56 1HE2 GLN 56 18.325 5.740 3.696 196 HE22 GLN 56 2HE2 GLN 56 17.488 4.602 4.699 197 H SER 57 H SER 57 14.360 0.554 1.113 198 HA SER 57 HA SER 57 14.881 -0.017 -1.642 199 HB2 SER 57 1HB SER 57 12.526 -0.643 0.160 200 HB3 SER 57 2HB SER 57 12.663 -1.240 -1.486 201 HG SER 57 HG SER 57 14.292 -1.742 0.731 202 H VAL 58 H VAL 58 12.442 1.993 -0.016 203 HA VAL 58 HA VAL 58 10.991 2.713 -2.368 204 HB VAL 58 HB VAL 58 11.423 4.212 0.249 205 HG11 VAL 58 1HG1 VAL 58 9.458 5.534 -0.368 206 HG12 VAL 58 2HG1 VAL 58 10.805 5.773 -1.504 207 HG13 VAL 58 3HG1 VAL 58 9.428 4.743 -1.961 208 HG21 VAL 58 1HG2 VAL 58 9.164 3.349 0.772 209 HG22 VAL 58 2HG2 VAL 58 9.133 2.490 -0.786 210 HG23 VAL 58 3HG2 VAL 58 10.306 2.020 0.467 211 H ILE 59 H ILE 59 13.685 4.328 -0.654 212 HA ILE 59 HA ILE 59 13.885 6.558 -2.397 213 HB ILE 59 HB ILE 59 15.934 5.174 -0.629 214 HG12 ILE 59 1HG1 ILE 59 14.586 7.861 -0.319 215 HG13 ILE 59 2HG1 ILE 59 13.950 6.376 0.371 216 HG21 ILE 59 1HG2 ILE 59 17.369 7.143 -0.976 217 HG22 ILE 59 2HG2 ILE 59 17.112 6.264 -2.500 218 HG23 ILE 59 3HG2 ILE 59 16.222 7.772 -2.182 219 HD11 ILE 59 1HD1 ILE 59 15.224 7.632 2.016 220 HD12 ILE 59 2HD1 ILE 59 16.016 6.076 1.666 221 HD13 ILE 59 3HD1 ILE 59 16.661 7.581 0.968 222 H SER 60 H SER 60 15.498 3.382 -2.481 223 HA SER 60 HA SER 60 17.271 3.870 -4.603 224 HB2 SER 60 1HB SER 60 15.768 1.334 -3.881 225 HB3 SER 60 2HB SER 60 17.104 1.402 -5.021 226 HG SER 60 HG SER 60 17.083 1.958 -2.276 227 H VAL 61 H VAL 61 13.907 2.667 -4.744 228 HA VAL 61 HA VAL 61 13.761 2.473 -7.577 229 HB VAL 61 HB VAL 61 11.610 3.001 -5.486 230 HG11 VAL 61 1HG1 VAL 61 9.983 2.361 -7.198 231 HG12 VAL 61 2HG1 VAL 61 10.856 3.850 -7.630 232 HG13 VAL 61 3HG1 VAL 61 11.283 2.308 -8.412 233 HG21 VAL 61 1HG2 VAL 61 11.107 0.604 -5.853 234 HG22 VAL 61 2HG2 VAL 61 12.446 0.504 -7.021 235 HG23 VAL 61 3HG2 VAL 61 12.785 0.834 -5.305 236 H LEU 62 H LEU 62 13.035 5.158 -5.350 237 HA LEU 62 HA LEU 62 11.935 6.908 -7.311 238 HB2 LEU 62 1HB LEU 62 13.348 7.476 -4.684 239 HB3 LEU 62 2HB LEU 62 12.531 8.710 -5.648 240 HG LEU 62 HG LEU 62 11.169 6.277 -4.437 241 HD11 LEU 62 1HD1 LEU 62 10.236 7.884 -2.832 242 HD12 LEU 62 2HD1 LEU 62 12.011 7.796 -2.719 243 HD13 LEU 62 3HD1 LEU 62 11.237 9.174 -3.540 244 HD21 LEU 62 1HD2 LEU 62 9.112 7.506 -5.043 245 HD22 LEU 62 2HD2 LEU 62 10.095 8.790 -5.784 246 HD23 LEU 62 3HD2 LEU 62 10.095 7.155 -6.484 247 H THR 63 H THR 63 15.258 6.425 -6.144 248 HA THR 63 HA THR 63 16.370 8.616 -7.645 249 HB THR 63 HB THR 63 18.567 7.499 -7.188 250 HG1 THR 63 HG1 THR 63 16.842 5.400 -6.606 251 HG21 THR 63 1HG2 THR 63 18.445 7.670 -4.734 252 HG22 THR 63 2HG2 THR 63 17.544 8.996 -5.508 253 HG23 THR 63 3HG2 THR 63 16.667 7.613 -4.813 254 H ALA 64 H ALA 64 15.747 5.221 -8.347 255 HA ALA 64 HA ALA 64 17.278 5.103 -10.764 256 HB1 ALA 64 1HB ALA 64 15.903 3.111 -11.274 257 HB2 ALA 64 2HB ALA 64 16.506 3.086 -9.599 258 HB3 ALA 64 3HB ALA 64 14.815 3.528 -9.930 259 H LYS 65 H LYS 65 13.717 5.314 -10.382 260 HA LYS 65 HA LYS 65 13.359 5.904 -13.183 261 HB2 LYS 65 1HB LYS 65 11.486 6.100 -10.793 262 HB3 LYS 65 2HB LYS 65 10.981 6.430 -12.444 263 HG2 LYS 65 1HG LYS 65 12.103 3.790 -11.459 264 HG3 LYS 65 2HG LYS 65 10.392 4.157 -11.714 265 HD2 LYS 65 1HD LYS 65 10.800 4.542 -14.103 266 HD3 LYS 65 2HD LYS 65 12.532 4.265 -13.871 267 HE2 LYS 65 1HE LYS 65 12.042 1.951 -13.105 268 HE3 LYS 65 2HE LYS 65 10.323 2.231 -13.394 269 HZ1 LYS 65 1HZ LYS 65 11.354 1.109 -15.228 270 HZ2 LYS 65 2HZ LYS 65 10.831 2.596 -15.710 271 HZ3 LYS 65 3HZ LYS 65 12.437 2.333 -15.441 272 H GLY 66 H GLY 66 13.962 7.835 -10.361 273 HA2 GLY 66 1HA GLY 66 12.782 10.294 -11.209 274 HA3 GLY 66 2HA GLY 66 14.076 10.130 -10.036 275 H LYS 67 H LYS 67 15.613 8.592 -12.247 276 HA LYS 67 HA LYS 67 16.650 11.062 -13.569 277 HB2 LYS 67 1HB LYS 67 18.090 8.493 -12.800 278 HB3 LYS 67 2HB LYS 67 18.815 9.799 -13.730 279 HG2 LYS 67 1HG LYS 67 18.315 11.330 -11.762 280 HG3 LYS 67 2HG LYS 67 17.887 9.874 -10.850 281 HD2 LYS 67 1HD LYS 67 20.550 10.198 -12.273 282 HD3 LYS 67 2HD LYS 67 20.289 10.700 -10.597 283 HE2 LYS 67 1HE LYS 67 19.403 8.285 -10.231 284 HE3 LYS 67 2HE LYS 67 20.188 7.915 -11.769 285 HZ1 LYS 67 1HZ LYS 67 21.628 7.483 -9.917 286 HZ2 LYS 67 2HZ LYS 67 22.255 8.701 -10.836 287 HZ3 LYS 67 3HZ LYS 67 21.522 9.045 -9.399 288 H GLU 68 H GLU 68 15.471 7.815 -14.038 289 HA GLU 68 HA GLU 68 16.327 7.292 -16.659 290 HB2 GLU 68 1HB GLU 68 15.055 5.689 -15.256 291 HB3 GLU 68 2HB GLU 68 13.613 6.682 -15.418 292 HG2 GLU 68 1HG GLU 68 13.600 6.283 -17.843 293 HG3 GLU 68 2HG GLU 68 15.058 5.304 -17.693 294 H ALA 69 H ALA 69 13.506 9.186 -15.565 295 HA ALA 69 HA ALA 69 13.292 10.251 -18.339 296 HB1 ALA 69 1HB ALA 69 11.055 11.055 -17.655 297 HB2 ALA 69 2HB ALA 69 11.217 9.294 -17.446 298 HB3 ALA 69 3HB ALA 69 11.314 10.371 -16.033 299 H GLY 70 H GLY 70 12.232 11.779 -15.325 300 HA2 GLY 70 1HA GLY 70 13.355 13.486 -14.103 301 HA3 GLY 70 2HA GLY 70 14.518 13.657 -15.404 302 HA PRO 71 HA PRO 71 10.879 16.612 -16.001 303 HB2 PRO 71 1HB PRO 71 10.818 18.429 -13.998 304 HB3 PRO 71 2HB PRO 71 10.034 16.856 -13.806 305 HG2 PRO 71 1HG PRO 71 12.766 17.766 -12.811 306 HG3 PRO 71 2HG PRO 71 11.508 16.902 -11.920 307 HD2 PRO 71 1HD PRO 71 13.646 15.632 -13.135 308 HD3 PRO 71 2HD PRO 71 12.040 14.840 -12.877 309 H GLN 72 H GLN 72 11.097 19.218 -16.059 310 HA GLN 72 HA GLN 72 13.571 19.864 -17.367 311 HB2 GLN 72 1HB GLN 72 11.314 21.605 -16.310 312 HB3 GLN 72 2HB GLN 72 12.686 22.241 -17.207 313 HG2 GLN 72 1HG GLN 72 12.087 20.898 -19.148 314 HG3 GLN 72 2HG GLN 72 10.725 20.181 -18.239 315 HE21 GLN 72 1HE2 GLN 72 9.663 23.079 -20.452 316 HE22 GLN 72 2HE2 GLN 72 10.670 21.700 -20.744 317 H GLY 73 H GLY 73 12.359 20.317 -14.080 318 HA2 GLY 73 1HA GLY 73 14.824 21.825 -13.362 319 HA3 GLY 73 2HA GLY 73 13.365 21.719 -12.396 320 H ARG 74 H ARG 74 14.777 21.160 -10.611 321 HA ARG 74 HA ARG 74 16.160 18.582 -10.688 322 HB2 ARG 74 1HB ARG 74 15.616 20.569 -8.463 323 HB3 ARG 74 2HB ARG 74 16.471 19.056 -8.213 324 HG2 ARG 74 1HG ARG 74 18.290 19.739 -9.584 325 HG3 ARG 74 2HG ARG 74 17.383 21.138 -10.208 326 HD2 ARG 74 1HD ARG 74 18.932 21.911 -8.595 327 HD3 ARG 74 2HD ARG 74 17.305 22.015 -7.887 328 HE ARG 74 HE ARG 74 18.398 19.529 -7.170 329 HH11 ARG 74 1HH1 ARG 74 18.976 22.946 -6.600 330 HH12 ARG 74 2HH1 ARG 74 19.675 22.693 -5.017 331 HH21 ARG 74 1HH2 ARG 74 19.306 19.212 -5.113 332 HH22 ARG 74 2HH2 ARG 74 19.862 20.579 -4.173 333 H ASN 75 H ASN 75 15.464 16.662 -9.977 334 HA ASN 75 HA ASN 75 12.562 16.480 -9.487 335 HB2 ASN 75 1HB ASN 75 13.811 15.027 -11.153 336 HB3 ASN 75 2HB ASN 75 14.564 14.222 -9.784 337 HD21 ASN 75 1HD2 ASN 75 11.668 12.197 -10.739 338 HD22 ASN 75 2HD2 ASN 75 13.182 12.679 -11.433 339 H LYS 76 H LYS 76 11.962 16.886 -7.480 340 HA LYS 76 HA LYS 76 13.545 15.626 -5.283 341 HB2 LYS 76 1HB LYS 76 11.645 18.005 -5.210 342 HB3 LYS 76 2HB LYS 76 12.466 17.327 -3.812 343 HG2 LYS 76 1HG LYS 76 14.636 17.945 -4.727 344 HG3 LYS 76 2HG LYS 76 13.875 18.519 -6.217 345 HD2 LYS 76 1HD LYS 76 12.584 20.186 -4.858 346 HD3 LYS 76 2HD LYS 76 13.480 19.658 -3.426 347 HE2 LYS 76 1HE LYS 76 15.592 20.347 -4.440 348 HE3 LYS 76 2HE LYS 76 14.772 20.760 -5.948 349 HZ1 LYS 76 1HZ LYS 76 15.182 22.691 -4.611 350 HZ2 LYS 76 2HZ LYS 76 13.557 22.451 -4.757 351 HZ3 LYS 76 3HZ LYS 76 14.322 22.067 -3.349 352 H PHE 77 H PHE 77 12.562 14.434 -3.688 353 HA PHE 77 HA PHE 77 9.600 14.124 -3.907 354 HB2 PHE 77 1HB PHE 77 11.643 11.960 -3.270 355 HB3 PHE 77 2HB PHE 77 9.907 11.768 -3.086 356 HD1 PHE 77 HD1 PHE 77 12.635 12.243 -5.523 357 HD2 PHE 77 HD2 PHE 77 8.487 11.385 -4.965 358 HE1 PHE 77 HE1 PHE 77 12.465 11.540 -7.886 359 HE2 PHE 77 HE2 PHE 77 8.314 10.678 -7.326 360 HZ PHE 77 HZ PHE 77 10.303 10.757 -8.789 361 H ILE 78 H ILE 78 8.445 14.141 -2.036 362 HA ILE 78 HA ILE 78 9.981 14.674 0.455 363 HB ILE 78 HB ILE 78 7.000 15.036 -0.077 364 HG12 ILE 78 1HG1 ILE 78 8.242 16.524 -1.509 365 HG13 ILE 78 2HG1 ILE 78 7.500 17.434 -0.203 366 HG21 ILE 78 1HG2 ILE 78 7.073 16.376 1.987 367 HG22 ILE 78 2HG2 ILE 78 7.579 14.699 2.298 368 HG23 ILE 78 3HG2 ILE 78 8.798 15.990 2.183 369 HD11 ILE 78 1HD1 ILE 78 9.760 18.215 -0.641 370 HD12 ILE 78 2HD1 ILE 78 9.649 17.505 0.987 371 HD13 ILE 78 3HD1 ILE 78 10.402 16.584 -0.337 372 H LEU 79 H LEU 79 10.280 13.104 1.859 373 HA LEU 79 HA LEU 79 8.708 10.614 1.459 374 HB2 LEU 79 1HB LEU 79 11.283 11.010 3.018 375 HB3 LEU 79 2HB LEU 79 10.542 9.473 2.562 376 HG LEU 79 HG LEU 79 11.819 11.494 0.687 377 HD11 LEU 79 1HD1 LEU 79 13.447 9.691 0.328 378 HD12 LEU 79 2HD1 LEU 79 13.402 10.208 2.030 379 HD13 LEU 79 3HD1 LEU 79 12.609 8.693 1.538 380 HD21 LEU 79 1HD2 LEU 79 11.359 9.809 -1.062 381 HD22 LEU 79 2HD2 LEU 79 10.491 8.809 0.128 382 HD23 LEU 79 3HD2 LEU 79 9.847 10.403 -0.334 383 H LEU 80 H LEU 80 7.065 10.268 2.766 384 HA LEU 80 HA LEU 80 7.144 11.505 5.478 385 HB2 LEU 80 1HB LEU 80 4.749 10.466 3.924 386 HB3 LEU 80 2HB LEU 80 4.713 11.361 5.447 387 HG LEU 80 HG LEU 80 5.632 12.467 2.769 388 HD11 LEU 80 1HD1 LEU 80 3.561 13.778 2.891 389 HD12 LEU 80 2HD1 LEU 80 3.230 12.030 2.850 390 HD13 LEU 80 3HD1 LEU 80 3.108 12.923 4.384 391 HD21 LEU 80 1HD2 LEU 80 5.659 14.621 3.980 392 HD22 LEU 80 2HD2 LEU 80 5.235 13.779 5.490 393 HD23 LEU 80 3HD2 LEU 80 6.801 13.466 4.706 394 H SER 81 H SER 81 7.410 10.261 7.182 395 HA SER 81 HA SER 81 7.331 7.332 6.803 396 HB2 SER 81 1HB SER 81 9.304 8.281 7.866 397 HB3 SER 81 2HB SER 81 8.317 9.082 9.079 398 HG SER 81 HG SER 81 8.437 6.304 8.637 399 H GLY 82 H GLY 82 5.507 6.292 7.149 400 HA2 GLY 82 1HA GLY 82 3.842 5.546 8.800 401 HA3 GLY 82 2HA GLY 82 3.761 7.189 9.408 402 H ASP 83 H ASP 83 1.412 6.830 9.068 403 HA ASP 83 HA ASP 83 0.564 7.774 6.427 404 HB2 ASP 83 1HB ASP 83 0.786 5.115 6.497 405 HB3 ASP 83 2HB ASP 83 -0.759 5.225 7.329 406 H THR 84 H THR 84 -1.923 7.860 6.352 407 HA THR 84 HA THR 84 -2.957 8.492 9.081 408 HB THR 84 HB THR 84 -3.410 10.118 6.540 409 HG1 THR 84 HG1 THR 84 -1.661 10.305 8.694 410 HG21 THR 84 1HG2 THR 84 -4.658 11.642 8.020 411 HG22 THR 84 2HG2 THR 84 -5.409 10.029 7.988 412 HG23 THR 84 3HG2 THR 84 -4.420 10.522 9.381 413 H SER 85 H SER 85 -4.753 7.488 9.605 414 HA SER 85 HA SER 85 -6.282 6.131 7.453 415 HB2 SER 85 1HB SER 85 -5.602 4.723 9.303 416 HB3 SER 85 2HB SER 85 -6.287 5.841 10.472 417 HG SER 85 HG SER 85 -7.635 4.097 10.035 418 H ALA 569 1H ALA 569 10.924 22.019 5.767 419 HA ALA 569 HA ALA 569 11.992 23.793 6.903 420 HB1 ALA 569 1HB ALA 569 14.148 22.641 7.283 421 HB2 ALA 569 2HB ALA 569 12.784 21.497 7.252 422 HB3 ALA 569 3HB ALA 569 13.857 21.640 5.841 423 H GLN 570 H GLN 570 13.709 25.293 7.021 424 HA GLN 570 HA GLN 570 14.087 26.527 4.358 425 HB2 GLN 570 1HB GLN 570 13.094 27.913 6.130 426 HB3 GLN 570 2HB GLN 570 14.481 27.627 7.170 427 HG2 GLN 570 1HG GLN 570 14.695 29.799 6.230 428 HG3 GLN 570 2HG GLN 570 15.920 28.753 5.456 429 HE21 GLN 570 1HE2 GLN 570 14.881 29.550 2.258 430 HE22 GLN 570 2HE2 GLN 570 16.132 29.053 3.350 431 H ALA 571 H ALA 571 15.887 26.254 3.276 432 HA ALA 571 HA ALA 571 18.350 25.469 4.669 433 HB1 ALA 571 1HB ALA 571 19.302 25.319 2.391 434 HB2 ALA 571 2HB ALA 571 17.785 24.397 2.535 435 HB3 ALA 571 3HB ALA 571 17.791 25.982 1.726 436 H GLY 572 H GLY 572 20.409 26.557 4.193 437 HA2 GLY 572 1HA GLY 572 21.215 28.787 3.124 438 HA3 GLY 572 2HA GLY 572 20.031 29.525 4.183 439 H ALA 573 H ALA 573 20.904 26.998 5.976 440 HA ALA 573 HA ALA 573 23.054 28.522 7.345 441 HB1 ALA 573 1HB ALA 573 22.548 27.076 9.287 442 HB2 ALA 573 2HB ALA 573 21.101 27.937 8.710 443 HB3 ALA 573 3HB ALA 573 21.328 26.218 8.320 444 H ALA 574 H ALA 574 23.619 27.068 4.931 445 HA ALA 574 HA ALA 574 25.046 25.487 4.072 446 HB1 ALA 574 1HB ALA 574 27.034 24.907 5.424 447 HB2 ALA 574 2HB ALA 574 26.696 26.654 5.466 448 HB3 ALA 574 3HB ALA 574 26.262 25.630 6.854 449 H ASN 575 H ASN 575 22.572 24.683 5.582 450 HA ASN 575 HA ASN 575 22.918 21.851 5.275 451 HB2 ASN 575 1HB ASN 575 23.941 22.637 7.660 452 HB3 ASN 575 2HB ASN 575 22.257 22.422 8.120 453 HD21 ASN 575 1HD2 ASN 575 24.434 19.263 8.268 454 HD22 ASN 575 2HD2 ASN 575 24.837 20.907 8.631 455 H ARG 576 H ARG 576 20.941 20.663 6.331 456 HA ARG 576 HA ARG 576 18.618 22.394 6.766 457 HB2 ARG 576 1HB ARG 576 18.665 22.170 4.295 458 HB3 ARG 576 2HB ARG 576 18.637 20.420 4.456 459 HG2 ARG 576 1HG ARG 576 16.420 20.421 5.287 460 HG3 ARG 576 2HG ARG 576 16.447 22.178 5.567 461 HD2 ARG 576 1HD ARG 576 15.183 21.762 3.614 462 HD3 ARG 576 2HD ARG 576 16.734 22.475 3.116 463 HE ARG 576 HE ARG 576 16.869 19.619 3.100 464 HH11 ARG 576 1HH1 ARG 576 15.595 22.358 1.307 465 HH12 ARG 576 2HH1 ARG 576 15.615 21.522 -0.229 466 HH21 ARG 576 1HH2 ARG 576 16.890 18.544 1.100 467 HH22 ARG 576 2HH2 ARG 576 16.348 19.363 -0.348 468 H SER 577 H SER 577 16.990 21.416 7.906 469 HA SER 577 HA SER 577 17.223 18.507 8.434 470 HB2 SER 577 1HB SER 577 18.554 19.550 10.194 471 HB3 SER 577 2HB SER 577 17.247 20.660 10.575 472 HG SER 577 HG SER 577 16.834 17.900 10.590 473 H LEU 578 H LEU 578 15.319 17.541 8.435 474 HA LEU 578 HA LEU 578 12.894 19.249 8.746 475 HB2 LEU 578 1HB LEU 578 13.459 16.687 7.260 476 HB3 LEU 578 2HB LEU 578 11.807 17.081 7.746 477 HG LEU 578 HG LEU 578 12.356 19.375 6.508 478 HD11 LEU 578 1HD1 LEU 578 13.803 18.993 4.562 479 HD12 LEU 578 2HD1 LEU 578 14.700 18.829 6.091 480 HD13 LEU 578 3HD1 LEU 578 14.212 17.377 5.186 481 HD21 LEU 578 1HD2 LEU 578 11.373 18.373 4.474 482 HD22 LEU 578 2HD2 LEU 578 11.747 16.747 5.095 483 HD23 LEU 578 3HD2 LEU 578 10.563 17.771 5.941 484 H THR 579 H THR 579 11.104 18.469 9.959 485 HA THR 579 HA THR 579 11.856 16.466 12.034 486 HB THR 579 HB THR 579 9.605 18.523 12.001 487 HG1 THR 579 HG1 THR 579 12.148 18.355 13.250 488 HG21 THR 579 1HG2 THR 579 9.219 17.813 14.329 489 HG22 THR 579 2HG2 THR 579 8.963 16.460 13.200 490 HG23 THR 579 3HG2 THR 579 10.461 16.551 14.154 491 H GLU 580 H GLU 580 11.068 14.499 11.959 492 HA GLU 580 HA GLU 580 9.843 12.681 11.239 493 HB2 GLU 580 1HB GLU 580 7.607 14.729 11.524 494 HB3 GLU 580 2HB GLU 580 7.345 13.004 11.309 495 HG2 GLU 580 1HG GLU 580 8.602 12.583 13.412 496 HG3 GLU 580 2HG GLU 580 8.757 14.324 13.635 497 H GLY 581 H GLY 581 11.141 13.541 9.147 498 HA2 GLY 581 1HA GLY 581 9.818 12.494 6.954 499 HA3 GLY 581 2HA GLY 581 9.394 14.194 6.901 500 H PHE 582 H PHE 582 10.846 13.013 4.857 501 HA PHE 582 HA PHE 582 13.497 14.338 5.187 502 HB2 PHE 582 1HB PHE 582 13.134 11.756 3.637 503 HB3 PHE 582 2HB PHE 582 14.636 12.541 4.097 504 HD1 PHE 582 HD1 PHE 582 11.793 10.540 5.299 505 HD2 PHE 582 HD2 PHE 582 15.568 12.275 6.295 506 HE1 PHE 582 HE1 PHE 582 11.887 9.155 7.345 507 HE2 PHE 582 HE2 PHE 582 15.667 10.888 8.341 508 HZ PHE 582 HZ PHE 582 13.825 9.330 8.866 509 H VAL 583 H VAL 583 14.481 15.067 3.221 510 HA VAL 583 HA VAL 583 12.613 15.134 0.886 511 HB VAL 583 HB VAL 583 14.802 17.128 1.616 512 HG11 VAL 583 1HG1 VAL 583 13.926 18.450 -0.247 513 HG12 VAL 583 2HG1 VAL 583 14.561 16.877 -0.786 514 HG13 VAL 583 3HG1 VAL 583 12.804 17.131 -0.655 515 HG21 VAL 583 1HG2 VAL 583 12.913 18.679 2.005 516 HG22 VAL 583 2HG2 VAL 583 11.764 17.361 1.671 517 HG23 VAL 583 3HG2 VAL 583 12.828 17.275 3.096 518 H LEU 584 H LEU 584 13.234 14.046 -0.844 519 HA LEU 584 HA LEU 584 16.052 13.083 -0.917 520 HB2 LEU 584 1HB LEU 584 14.404 11.305 -0.800 521 HB3 LEU 584 2HB LEU 584 13.504 11.989 -2.157 522 HG LEU 584 HG LEU 584 15.511 11.518 -3.620 523 HD11 LEU 584 1HD1 LEU 584 17.174 9.928 -2.764 524 HD12 LEU 584 2HD1 LEU 584 17.194 11.456 -1.851 525 HD13 LEU 584 3HD1 LEU 584 16.425 10.011 -1.153 526 HD21 LEU 584 1HD2 LEU 584 15.022 9.098 -3.753 527 HD22 LEU 584 2HD2 LEU 584 14.241 9.168 -2.154 528 HD23 LEU 584 3HD2 LEU 584 13.529 10.042 -3.531 529 H ASP 585 H ASP 585 17.388 13.927 -2.347 530 HA ASP 585 HA ASP 585 16.258 15.094 -4.842 531 HB2 ASP 585 1HB ASP 585 17.800 16.543 -3.591 532 HB3 ASP 585 2HB ASP 585 19.039 15.297 -3.618 533 H THR 586 H THR 586 16.035 13.693 -6.445 534 HA THR 586 HA THR 586 17.630 11.220 -6.388 535 HB THR 586 HB THR 586 16.095 10.510 -8.250 536 HG1 THR 586 HG1 THR 586 15.002 13.105 -7.777 537 HG21 THR 586 1HG2 THR 586 14.068 10.374 -6.856 538 HG22 THR 586 2HG2 THR 586 15.527 10.050 -5.889 539 HG23 THR 586 3HG2 THR 586 14.718 11.631 -5.779 540 H MET 587 H MET 587 18.106 14.227 -7.630 541 HA MET 587 HA MET 587 19.293 13.261 -10.177 542 HB2 MET 587 1HB MET 587 18.866 16.090 -9.143 543 HB3 MET 587 2HB MET 587 19.505 15.670 -10.725 544 HG2 MET 587 1HG MET 587 16.711 15.135 -9.685 545 HG3 MET 587 2HG MET 587 17.190 16.276 -10.945 546 HE1 MET 587 1HE MET 587 18.142 14.000 -13.932 547 HE2 MET 587 2HE MET 587 17.790 15.658 -13.382 548 HE3 MET 587 3HE MET 587 19.216 14.795 -12.754 549 H ASN 588 H ASN 588 20.132 14.707 -7.075 550 HA ASN 588 HA ASN 588 23.008 14.560 -7.860 551 HB2 ASN 588 1HB ASN 588 21.599 16.103 -5.661 552 HB3 ASN 588 2HB ASN 588 23.347 15.962 -5.780 553 HD21 ASN 588 1HD2 ASN 588 21.317 18.605 -8.036 554 HD22 ASN 588 2HD2 ASN 588 20.560 17.588 -6.856 555 H ASP 589 H ASP 589 20.861 12.541 -6.678 556 HA ASP 589 HA ASP 589 20.983 10.673 -5.332 557 HB2 ASP 589 1HB ASP 589 23.970 11.046 -5.794 558 HB3 ASP 589 2HB ASP 589 23.207 9.576 -5.203 559 H SER 590 H SER 590 20.450 12.736 -3.781 560 HA SER 590 HA SER 590 22.148 12.311 -1.383 561 HB2 SER 590 1HB SER 590 23.065 14.301 -2.468 562 HB3 SER 590 2HB SER 590 21.465 15.022 -2.568 563 HG SER 590 HG SER 590 21.677 14.384 -0.115 564 H LEU 591 H LEU 591 20.986 12.022 0.388 565 HA LEU 591 HA LEU 591 18.138 12.892 0.355 566 HB2 LEU 591 1HB LEU 591 18.528 10.510 0.801 567 HB3 LEU 591 2HB LEU 591 19.603 10.916 2.141 568 HG LEU 591 HG LEU 591 17.607 12.013 3.269 569 HD11 LEU 591 1HD1 LEU 591 15.387 11.342 2.466 570 HD12 LEU 591 2HD1 LEU 591 16.248 12.335 1.267 571 HD13 LEU 591 3HD1 LEU 591 16.133 10.572 1.047 572 HD21 LEU 591 1HD2 LEU 591 16.686 9.838 3.999 573 HD22 LEU 591 2HD2 LEU 591 17.451 9.046 2.600 574 HD23 LEU 591 3HD2 LEU 591 18.461 9.773 3.872 575 H SER 592 H SER 592 17.469 14.532 1.547 576 HA SER 592 HA SER 592 19.357 15.700 3.515 577 HB2 SER 592 1HB SER 592 18.469 17.262 1.907 578 HB3 SER 592 2HB SER 592 16.821 16.735 2.217 579 HG SER 592 HG SER 592 17.968 17.396 4.507 580 H LYS 593 H LYS 593 19.193 15.182 5.568 581 HA LYS 593 HA LYS 593 16.620 14.021 6.512 582 HB2 LYS 593 1HB LYS 593 19.432 13.853 7.671 583 HB3 LYS 593 2HB LYS 593 18.006 13.124 8.395 584 HG2 LYS 593 1HG LYS 593 17.710 11.709 6.389 585 HG3 LYS 593 2HG LYS 593 19.160 12.434 5.677 586 HD2 LYS 593 1HD LYS 593 20.505 11.613 7.591 587 HD3 LYS 593 2HD LYS 593 19.054 10.875 8.287 588 HE2 LYS 593 1HE LYS 593 18.816 9.439 6.295 589 HE3 LYS 593 2HE LYS 593 20.245 10.185 5.575 590 HZ1 LYS 593 1HZ LYS 593 20.771 8.113 6.631 591 HZ2 LYS 593 2HZ LYS 593 21.539 9.345 7.414 592 HZ3 LYS 593 3HZ LYS 593 20.205 8.647 8.086 Start of MODEL 8 1 H GLY 32 1H GLY 32 2.066 -2.551 1.925 2 HA2 GLY 32 1HA GLY 32 3.967 -1.432 1.081 3 HA3 GLY 32 2HA GLY 32 2.585 -1.262 0.016 4 H ILE 33 H ILE 33 3.727 0.649 -0.785 5 HA ILE 33 HA ILE 33 3.417 2.997 1.039 6 HB ILE 33 HB ILE 33 5.350 4.030 -0.163 7 HG12 ILE 33 1HG1 ILE 33 6.795 2.175 -1.377 8 HG13 ILE 33 2HG1 ILE 33 5.221 1.452 -1.673 9 HG21 ILE 33 1HG2 ILE 33 7.098 2.647 0.883 10 HG22 ILE 33 2HG2 ILE 33 5.703 2.843 1.969 11 HG23 ILE 33 3HG2 ILE 33 5.933 1.317 1.083 12 HD11 ILE 33 1HD1 ILE 33 5.903 2.860 -3.534 13 HD12 ILE 33 2HD1 ILE 33 4.456 3.527 -2.741 14 HD13 ILE 33 3HD1 ILE 33 6.050 4.259 -2.444 15 H ARG 34 H ARG 34 3.316 5.103 -0.186 16 HA ARG 34 HA ARG 34 1.744 4.757 -2.696 17 HB2 ARG 34 1HB ARG 34 0.967 6.444 -0.295 18 HB3 ARG 34 2HB ARG 34 0.179 6.525 -1.862 19 HG2 ARG 34 1HG ARG 34 0.325 4.002 -0.199 20 HG3 ARG 34 2HG ARG 34 -1.019 5.167 -0.143 21 HD2 ARG 34 1HD ARG 34 -1.366 4.835 -2.544 22 HD3 ARG 34 2HD ARG 34 -0.075 3.611 -2.538 23 HE ARG 34 HE ARG 34 -2.772 3.365 -1.416 24 HH11 ARG 34 1HH1 ARG 34 0.449 2.004 -1.753 25 HH12 ARG 34 2HH1 ARG 34 -0.053 0.385 -1.318 26 HH21 ARG 34 1HH2 ARG 34 -3.411 1.259 -0.853 27 HH22 ARG 34 2HH2 ARG 34 -2.238 -0.037 -0.809 28 H VAL 35 H VAL 35 1.533 6.713 -3.973 29 HA VAL 35 HA VAL 35 3.570 8.789 -3.420 30 HB VAL 35 HB VAL 35 3.550 7.142 -5.984 31 HG11 VAL 35 1HG1 VAL 35 5.544 8.434 -6.567 32 HG12 VAL 35 2HG1 VAL 35 4.110 9.472 -6.377 33 HG13 VAL 35 3HG1 VAL 35 5.341 9.410 -5.093 34 HG21 VAL 35 1HG2 VAL 35 5.771 6.364 -5.220 35 HG22 VAL 35 2HG2 VAL 35 5.566 7.274 -3.704 36 HG23 VAL 35 3HG2 VAL 35 4.495 5.901 -4.069 37 H MET 36 H MET 36 2.912 10.746 -4.019 38 HA MET 36 HA MET 36 0.996 10.997 -6.264 39 HB2 MET 36 1HB MET 36 -0.485 12.464 -4.986 40 HB3 MET 36 2HB MET 36 -0.397 10.884 -4.222 41 HG2 MET 36 1HG MET 36 1.221 11.794 -2.575 42 HG3 MET 36 2HG MET 36 1.063 13.385 -3.323 43 HE1 MET 36 1HE MET 36 -0.876 13.850 0.045 44 HE2 MET 36 2HE MET 36 0.598 12.889 -0.230 45 HE3 MET 36 3HE MET 36 0.410 14.475 -1.016 46 H ASP 37 H ASP 37 0.889 13.079 -7.204 47 HA ASP 37 HA ASP 37 3.355 14.525 -7.237 48 HB2 ASP 37 1HB ASP 37 0.568 15.260 -8.209 49 HB3 ASP 37 2HB ASP 37 1.985 16.262 -8.489 50 H HIS 38 H HIS 38 4.033 16.370 -6.283 51 HA HIS 38 HA HIS 38 2.982 17.117 -3.738 52 HB2 HIS 38 1HB HIS 38 5.336 17.533 -4.686 53 HB3 HIS 38 2HB HIS 38 4.644 18.915 -5.525 54 HD2 HIS 38 HD2 HIS 38 5.964 17.977 -2.037 55 HE1 HIS 38 HE1 HIS 38 4.173 21.831 -1.722 56 HE2 HIS 38 HE2 HIS 38 5.625 20.090 -0.556 57 HA PRO 39 HA PRO 39 -0.602 19.311 -4.683 58 HB2 PRO 39 1HB PRO 39 0.274 20.949 -2.263 59 HB3 PRO 39 2HB PRO 39 -1.325 20.293 -2.633 60 HG2 PRO 39 1HG PRO 39 0.185 18.992 -0.877 61 HG3 PRO 39 2HG PRO 39 -0.689 18.059 -2.097 62 HD2 PRO 39 1HD PRO 39 2.244 18.854 -2.024 63 HD3 PRO 39 2HD PRO 39 1.497 17.291 -2.542 64 H THR 40 H THR 40 2.470 20.949 -4.067 65 HA THR 40 HA THR 40 1.470 23.340 -5.556 66 HB THR 40 HB THR 40 3.539 23.230 -3.319 67 HG1 THR 40 HG1 THR 40 0.833 24.072 -3.491 68 HG21 THR 40 1HG2 THR 40 3.553 25.685 -3.522 69 HG22 THR 40 2HG2 THR 40 4.091 24.919 -5.036 70 HG23 THR 40 3HG2 THR 40 2.445 25.580 -4.909 71 H MET 41 H MET 41 4.488 21.564 -4.729 72 HA MET 41 HA MET 41 5.973 23.228 -6.576 73 HB2 MET 41 1HB MET 41 6.732 20.747 -4.991 74 HB3 MET 41 2HB MET 41 7.870 21.664 -5.967 75 HG2 MET 41 1HG MET 41 7.513 23.643 -4.572 76 HG3 MET 41 2HG MET 41 6.305 22.776 -3.619 77 HE1 MET 41 1HE MET 41 10.858 22.014 -3.584 78 HE2 MET 41 2HE MET 41 9.885 21.794 -5.059 79 HE3 MET 41 3HE MET 41 10.049 23.411 -4.333 80 HA PRO 42 HA PRO 42 4.735 20.965 -10.102 81 HB2 PRO 42 1HB PRO 42 7.029 22.602 -11.262 82 HB3 PRO 42 2HB PRO 42 5.414 22.328 -11.931 83 HG2 PRO 42 1HG PRO 42 5.874 24.646 -10.732 84 HG3 PRO 42 2HG PRO 42 4.367 23.800 -10.367 85 HD2 PRO 42 1HD PRO 42 6.937 23.932 -8.741 86 HD3 PRO 42 2HD PRO 42 5.223 24.049 -8.175 87 H ASP 43 H ASP 43 7.952 21.149 -8.760 88 HA ASP 43 HA ASP 43 8.823 18.840 -10.449 89 HB2 ASP 43 1HB ASP 43 10.515 21.006 -9.135 90 HB3 ASP 43 2HB ASP 43 11.150 19.628 -10.022 91 H THR 44 H THR 44 7.269 18.592 -8.043 92 HA THR 44 HA THR 44 9.181 16.893 -6.549 93 HB THR 44 HB THR 44 7.320 18.857 -5.143 94 HG1 THR 44 HG1 THR 44 9.951 19.026 -5.998 95 HG21 THR 44 1HG2 THR 44 8.491 18.090 -3.115 96 HG22 THR 44 2HG2 THR 44 7.677 16.733 -3.930 97 HG23 THR 44 3HG2 THR 44 9.436 16.943 -4.091 98 H GLN 45 H GLN 45 8.341 15.008 -5.841 99 HA GLN 45 HA GLN 45 5.359 14.801 -5.791 100 HB2 GLN 45 1HB GLN 45 7.428 12.638 -6.342 101 HB3 GLN 45 2HB GLN 45 5.719 12.322 -6.078 102 HG2 GLN 45 1HG GLN 45 5.212 13.803 -8.040 103 HG3 GLN 45 2HG GLN 45 6.970 13.869 -8.350 104 HE21 GLN 45 1HE2 GLN 45 4.883 10.957 -9.978 105 HE22 GLN 45 2HE2 GLN 45 4.294 12.510 -9.489 106 H VAL 46 H VAL 46 4.534 13.178 -4.216 107 HA VAL 46 HA VAL 46 6.113 13.438 -1.688 108 HB VAL 46 HB VAL 46 3.088 13.441 -2.068 109 HG11 VAL 46 1HG1 VAL 46 2.986 13.918 0.330 110 HG12 VAL 46 2HG1 VAL 46 3.724 12.334 -0.003 111 HG13 VAL 46 3HG1 VAL 46 4.751 13.719 0.443 112 HG21 VAL 46 1HG2 VAL 46 3.254 15.783 -1.285 113 HG22 VAL 46 2HG2 VAL 46 5.027 15.635 -1.227 114 HG23 VAL 46 3HG2 VAL 46 4.175 15.539 -2.787 115 H VAL 47 H VAL 47 6.333 11.701 -0.374 116 HA VAL 47 HA VAL 47 5.166 9.142 -1.391 117 HB VAL 47 HB VAL 47 7.934 9.544 -0.176 118 HG11 VAL 47 1HG1 VAL 47 8.313 7.220 -0.843 119 HG12 VAL 47 2HG1 VAL 47 6.985 7.369 0.333 120 HG13 VAL 47 3HG1 VAL 47 6.623 7.104 -1.390 121 HG21 VAL 47 1HG2 VAL 47 8.756 9.053 -2.458 122 HG22 VAL 47 2HG2 VAL 47 7.077 8.997 -3.049 123 HG23 VAL 47 3HG2 VAL 47 7.757 10.525 -2.436 124 H VAL 48 H VAL 48 4.225 7.832 0.050 125 HA VAL 48 HA VAL 48 4.297 8.724 2.900 126 HB VAL 48 HB VAL 48 2.143 7.163 1.407 127 HG11 VAL 48 1HG1 VAL 48 0.803 7.482 3.430 128 HG12 VAL 48 2HG1 VAL 48 2.269 6.524 3.745 129 HG13 VAL 48 3HG1 VAL 48 2.200 8.235 4.236 130 HG21 VAL 48 1HG2 VAL 48 0.815 9.235 1.674 131 HG22 VAL 48 2HG2 VAL 48 2.219 10.036 2.421 132 HG23 VAL 48 3HG2 VAL 48 2.285 9.532 0.715 133 H ILE 49 H ILE 49 5.062 7.397 4.407 134 HA ILE 49 HA ILE 49 5.677 4.599 3.555 135 HB ILE 49 HB ILE 49 7.376 6.401 5.330 136 HG12 ILE 49 1HG1 ILE 49 7.382 7.122 2.980 137 HG13 ILE 49 2HG1 ILE 49 8.944 6.509 3.505 138 HG21 ILE 49 1HG2 ILE 49 9.028 4.584 5.152 139 HG22 ILE 49 2HG2 ILE 49 7.526 4.010 5.910 140 HG23 ILE 49 3HG2 ILE 49 7.869 3.619 4.209 141 HD11 ILE 49 1HD1 ILE 49 8.408 5.737 1.264 142 HD12 ILE 49 2HD1 ILE 49 8.491 4.365 2.395 143 HD13 ILE 49 3HD1 ILE 49 6.910 4.986 1.862 144 HA PRO 50 HA PRO 50 3.028 4.084 7.222 145 HB2 PRO 50 1HB PRO 50 2.966 1.366 5.887 146 HB3 PRO 50 2HB PRO 50 1.634 2.292 6.592 147 HG2 PRO 50 1HG PRO 50 1.854 2.222 3.941 148 HG3 PRO 50 2HG PRO 50 1.475 3.758 4.723 149 HD2 PRO 50 1HD PRO 50 4.169 2.736 3.716 150 HD3 PRO 50 2HD PRO 50 3.410 4.360 3.473 151 H LYS 51 H LYS 51 3.362 2.635 9.042 152 HA LYS 51 HA LYS 51 6.068 2.325 9.733 153 HB2 LYS 51 1HB LYS 51 4.193 2.427 11.364 154 HB3 LYS 51 2HB LYS 51 3.674 0.823 10.866 155 HG2 LYS 51 1HG LYS 51 5.773 -0.142 11.686 156 HG3 LYS 51 2HG LYS 51 6.353 1.469 12.133 157 HD2 LYS 51 1HD LYS 51 4.452 1.715 13.703 158 HD3 LYS 51 2HD LYS 51 3.882 0.099 13.261 159 HE2 LYS 51 1HE LYS 51 6.004 -0.872 14.082 160 HE3 LYS 51 2HE LYS 51 6.574 0.740 14.524 161 HZ1 LYS 51 1HZ LYS 51 5.660 -0.420 16.398 162 HZ2 LYS 51 2HZ LYS 51 4.735 0.904 16.058 163 HZ3 LYS 51 3HZ LYS 51 4.205 -0.603 15.646 164 H SER 52 H SER 52 7.597 0.932 9.239 165 HA SER 52 HA SER 52 8.526 -1.223 9.152 166 HB2 SER 52 1HB SER 52 7.249 -3.143 9.303 167 HB3 SER 52 2HB SER 52 6.173 -1.971 10.048 168 HG SER 52 HG SER 52 4.878 -2.093 8.442 169 H ALA 53 H ALA 53 6.710 0.452 6.852 170 HA ALA 53 HA ALA 53 7.280 -1.157 4.540 171 HB1 ALA 53 1HB ALA 53 6.779 0.903 3.266 172 HB2 ALA 53 2HB ALA 53 5.555 0.588 4.518 173 HB3 ALA 53 3HB ALA 53 6.796 1.835 4.781 174 H ASP 54 H ASP 54 8.868 -0.957 2.962 175 HA ASP 54 HA ASP 54 11.454 -0.378 4.244 176 HB2 ASP 54 1HB ASP 54 11.032 -2.546 3.067 177 HB3 ASP 54 2HB ASP 54 10.846 -1.671 1.555 178 H LEU 55 H LEU 55 11.252 1.942 4.204 179 HA LEU 55 HA LEU 55 10.908 3.493 1.877 180 HB2 LEU 55 1HB LEU 55 10.863 4.517 4.058 181 HB3 LEU 55 2HB LEU 55 12.517 3.997 4.401 182 HG LEU 55 HG LEU 55 13.382 5.559 2.715 183 HD11 LEU 55 1HD1 LEU 55 11.866 7.136 1.601 184 HD12 LEU 55 2HD1 LEU 55 11.508 5.452 1.152 185 HD13 LEU 55 3HD1 LEU 55 10.469 6.303 2.320 186 HD21 LEU 55 1HD2 LEU 55 12.771 7.648 3.886 187 HD22 LEU 55 2HD2 LEU 55 11.385 6.822 4.638 188 HD23 LEU 55 3HD2 LEU 55 13.045 6.323 5.042 189 H GLN 56 H GLN 56 13.806 1.933 3.184 190 HA GLN 56 HA GLN 56 15.741 3.302 1.649 191 HB2 GLN 56 1HB GLN 56 16.232 1.760 3.561 192 HB3 GLN 56 2HB GLN 56 15.804 0.391 2.545 193 HG2 GLN 56 1HG GLN 56 18.178 0.574 2.604 194 HG3 GLN 56 2HG GLN 56 17.631 1.054 0.974 195 HE21 GLN 56 1HE2 GLN 56 19.861 3.737 1.339 196 HE22 GLN 56 2HE2 GLN 56 19.554 2.206 0.588 197 H SER 57 H SER 57 14.013 0.259 0.914 198 HA SER 57 HA SER 57 15.161 -0.084 -1.681 199 HB2 SER 57 1HB SER 57 12.542 -1.020 -0.472 200 HB3 SER 57 2HB SER 57 13.086 -1.495 -2.073 201 HG SER 57 HG SER 57 13.862 -2.341 0.356 202 H VAL 58 H VAL 58 12.320 1.687 -0.523 203 HA VAL 58 HA VAL 58 11.168 2.200 -3.082 204 HB VAL 58 HB VAL 58 11.006 3.712 -0.444 205 HG11 VAL 58 1HG1 VAL 58 9.069 4.878 -1.379 206 HG12 VAL 58 2HG1 VAL 58 10.568 5.262 -2.258 207 HG13 VAL 58 3HG1 VAL 58 9.386 4.132 -2.963 208 HG21 VAL 58 1HG2 VAL 58 8.775 2.646 -0.336 209 HG22 VAL 58 2HG2 VAL 58 9.092 1.831 -1.885 210 HG23 VAL 58 3HG2 VAL 58 10.066 1.426 -0.452 211 H ILE 59 H ILE 59 13.460 4.061 -1.077 212 HA ILE 59 HA ILE 59 13.644 6.355 -2.710 213 HB ILE 59 HB ILE 59 15.642 5.002 -0.868 214 HG12 ILE 59 1HG1 ILE 59 14.184 7.638 -0.610 215 HG13 ILE 59 2HG1 ILE 59 13.572 6.121 0.030 216 HG21 ILE 59 1HG2 ILE 59 17.042 7.015 -1.081 217 HG22 ILE 59 2HG2 ILE 59 16.913 6.159 -2.635 218 HG23 ILE 59 3HG2 ILE 59 15.963 7.637 -2.351 219 HD11 ILE 59 1HD1 ILE 59 14.698 7.410 1.758 220 HD12 ILE 59 2HD1 ILE 59 15.572 5.893 1.439 221 HD13 ILE 59 3HD1 ILE 59 16.192 7.431 0.793 222 H SER 60 H SER 60 15.452 3.288 -2.868 223 HA SER 60 HA SER 60 17.187 4.027 -4.993 224 HB2 SER 60 1HB SER 60 16.057 1.322 -4.209 225 HB3 SER 60 2HB SER 60 17.342 1.550 -5.385 226 HG SER 60 HG SER 60 17.316 2.082 -2.643 227 H VAL 61 H VAL 61 13.979 2.462 -5.030 228 HA VAL 61 HA VAL 61 13.828 2.139 -7.857 229 HB VAL 61 HB VAL 61 11.649 2.477 -5.753 230 HG11 VAL 61 1HG1 VAL 61 10.102 1.565 -7.415 231 HG12 VAL 61 2HG1 VAL 61 10.778 3.130 -7.921 232 HG13 VAL 61 3HG1 VAL 61 11.388 1.622 -8.643 233 HG21 VAL 61 1HG2 VAL 61 11.448 0.024 -6.011 234 HG22 VAL 61 2HG2 VAL 61 12.779 0.040 -7.192 235 HG23 VAL 61 3HG2 VAL 61 13.088 0.484 -5.496 236 H LEU 62 H LEU 62 12.748 4.773 -5.704 237 HA LEU 62 HA LEU 62 11.434 6.241 -7.802 238 HB2 LEU 62 1HB LEU 62 12.433 7.073 -5.059 239 HB3 LEU 62 2HB LEU 62 11.490 8.123 -6.120 240 HG LEU 62 HG LEU 62 10.541 5.486 -4.943 241 HD11 LEU 62 1HD1 LEU 62 9.075 6.917 -3.590 242 HD12 LEU 62 2HD1 LEU 62 10.794 7.248 -3.272 243 HD13 LEU 62 3HD1 LEU 62 9.846 8.362 -4.285 244 HD21 LEU 62 1HD2 LEU 62 8.356 6.169 -5.876 245 HD22 LEU 62 2HD2 LEU 62 9.116 7.605 -6.603 246 HD23 LEU 62 3HD2 LEU 62 9.571 5.978 -7.163 247 H THR 63 H THR 63 14.667 6.372 -6.350 248 HA THR 63 HA THR 63 15.497 8.824 -7.516 249 HB THR 63 HB THR 63 17.161 6.383 -6.764 250 HG1 THR 63 HG1 THR 63 16.193 7.171 -4.944 251 HG21 THR 63 1HG2 THR 63 19.040 7.973 -6.656 252 HG22 THR 63 2HG2 THR 63 18.365 7.896 -8.300 253 HG23 THR 63 3HG2 THR 63 17.978 9.272 -7.242 254 H ALA 64 H ALA 64 15.785 5.473 -8.702 255 HA ALA 64 HA ALA 64 17.150 6.092 -11.111 256 HB1 ALA 64 1HB ALA 64 16.267 3.930 -11.928 257 HB2 ALA 64 2HB ALA 64 16.901 3.798 -10.271 258 HB3 ALA 64 3HB ALA 64 15.145 3.874 -10.549 259 H LYS 65 H LYS 65 13.640 5.675 -10.540 260 HA LYS 65 HA LYS 65 12.929 6.407 -13.227 261 HB2 LYS 65 1HB LYS 65 11.327 6.304 -10.647 262 HB3 LYS 65 2HB LYS 65 10.613 6.689 -12.206 263 HG2 LYS 65 1HG LYS 65 12.032 4.097 -11.519 264 HG3 LYS 65 2HG LYS 65 10.282 4.338 -11.590 265 HD2 LYS 65 1HD LYS 65 10.424 4.895 -13.976 266 HD3 LYS 65 2HD LYS 65 12.187 4.746 -13.924 267 HE2 LYS 65 1HE LYS 65 11.945 2.357 -13.267 268 HE3 LYS 65 2HE LYS 65 10.190 2.516 -13.384 269 HZ1 LYS 65 1HZ LYS 65 11.127 1.588 -15.372 270 HZ2 LYS 65 2HZ LYS 65 10.453 3.056 -15.707 271 HZ3 LYS 65 3HZ LYS 65 12.091 2.906 -15.598 272 H GLY 66 H GLY 66 13.673 8.229 -10.367 273 HA2 GLY 66 1HA GLY 66 12.311 10.666 -11.073 274 HA3 GLY 66 2HA GLY 66 13.625 10.509 -9.921 275 H LYS 67 H LYS 67 15.024 9.080 -12.394 276 HA LYS 67 HA LYS 67 16.016 11.645 -13.567 277 HB2 LYS 67 1HB LYS 67 17.494 9.058 -12.959 278 HB3 LYS 67 2HB LYS 67 18.166 10.342 -13.954 279 HG2 LYS 67 1HG LYS 67 17.942 11.907 -12.019 280 HG3 LYS 67 2HG LYS 67 17.388 10.546 -11.032 281 HD2 LYS 67 1HD LYS 67 20.022 10.498 -12.535 282 HD3 LYS 67 2HD LYS 67 19.876 11.134 -10.890 283 HE2 LYS 67 1HE LYS 67 18.795 8.889 -10.277 284 HE3 LYS 67 2HE LYS 67 19.348 8.308 -11.849 285 HZ1 LYS 67 1HZ LYS 67 20.913 7.803 -10.123 286 HZ2 LYS 67 2HZ LYS 67 21.591 8.854 -11.197 287 HZ3 LYS 67 3HZ LYS 67 21.075 9.396 -9.728 288 H GLU 68 H GLU 68 15.047 8.314 -14.180 289 HA GLU 68 HA GLU 68 15.675 8.102 -16.907 290 HB2 GLU 68 1HB GLU 68 14.739 6.256 -15.545 291 HB3 GLU 68 2HB GLU 68 13.190 7.083 -15.468 292 HG2 GLU 68 1HG GLU 68 12.999 6.906 -17.932 293 HG3 GLU 68 2HG GLU 68 14.523 6.024 -17.970 294 H ALA 69 H ALA 69 12.778 9.537 -15.391 295 HA ALA 69 HA ALA 69 12.269 10.897 -18.001 296 HB1 ALA 69 1HB ALA 69 9.888 11.002 -17.340 297 HB2 ALA 69 2HB ALA 69 10.470 9.323 -17.440 298 HB3 ALA 69 3HB ALA 69 10.268 10.102 -15.854 299 H GLY 70 H GLY 70 10.881 11.487 -14.784 300 HA2 GLY 70 1HA GLY 70 11.342 13.199 -13.249 301 HA3 GLY 70 2HA GLY 70 12.654 13.753 -14.273 302 HA PRO 71 HA PRO 71 8.957 16.508 -14.956 303 HB2 PRO 71 1HB PRO 71 9.331 18.549 -13.226 304 HB3 PRO 71 2HB PRO 71 8.563 17.052 -12.684 305 HG2 PRO 71 1HG PRO 71 11.458 17.943 -12.354 306 HG3 PRO 71 2HG PRO 71 10.376 17.260 -11.137 307 HD2 PRO 71 1HD PRO 71 12.205 15.747 -12.570 308 HD3 PRO 71 2HD PRO 71 10.670 15.071 -11.890 309 H GLN 72 H GLN 72 9.374 19.194 -15.128 310 HA GLN 72 HA GLN 72 11.410 19.489 -17.136 311 HB2 GLN 72 1HB GLN 72 9.751 21.523 -15.599 312 HB3 GLN 72 2HB GLN 72 10.865 21.962 -16.886 313 HG2 GLN 72 1HG GLN 72 9.594 20.626 -18.483 314 HG3 GLN 72 2HG GLN 72 8.479 20.125 -17.181 315 HE21 GLN 72 1HE2 GLN 72 7.140 23.037 -19.205 316 HE22 GLN 72 2HE2 GLN 72 7.844 21.521 -19.661 317 H GLY 73 H GLY 73 11.223 20.340 -13.694 318 HA2 GLY 73 1HA GLY 73 14.016 21.351 -13.775 319 HA3 GLY 73 2HA GLY 73 12.904 21.479 -12.423 320 H ARG 74 H ARG 74 14.394 20.620 -10.948 321 HA ARG 74 HA ARG 74 15.475 17.924 -11.439 322 HB2 ARG 74 1HB ARG 74 15.787 19.845 -9.108 323 HB3 ARG 74 2HB ARG 74 16.567 18.273 -9.207 324 HG2 ARG 74 1HG ARG 74 17.793 18.993 -11.210 325 HG3 ARG 74 2HG ARG 74 16.999 20.584 -11.116 326 HD2 ARG 74 1HD ARG 74 17.979 20.936 -8.920 327 HD3 ARG 74 2HD ARG 74 18.781 19.352 -9.027 328 HE ARG 74 HE ARG 74 19.491 20.820 -11.311 329 HH11 ARG 74 1HH1 ARG 74 19.933 20.967 -7.830 330 HH12 ARG 74 2HH1 ARG 74 21.474 21.788 -7.934 331 HH21 ARG 74 1HH2 ARG 74 21.493 21.888 -11.434 332 HH22 ARG 74 2HH2 ARG 74 22.358 22.310 -9.973 333 H ASN 75 H ASN 75 14.740 16.079 -10.602 334 HA ASN 75 HA ASN 75 12.094 16.134 -9.394 335 HB2 ASN 75 1HB ASN 75 12.813 14.428 -11.066 336 HB3 ASN 75 2HB ASN 75 13.946 13.781 -9.885 337 HD21 ASN 75 1HD2 ASN 75 10.321 12.322 -9.958 338 HD22 ASN 75 2HD2 ASN 75 11.173 13.084 -11.260 339 H LYS 76 H LYS 76 11.716 16.505 -7.349 340 HA LYS 76 HA LYS 76 13.485 15.117 -5.378 341 HB2 LYS 76 1HB LYS 76 11.900 17.696 -5.052 342 HB3 LYS 76 2HB LYS 76 12.687 16.848 -3.728 343 HG2 LYS 76 1HG LYS 76 14.878 17.175 -4.813 344 HG3 LYS 76 2HG LYS 76 14.085 18.029 -6.145 345 HD2 LYS 76 1HD LYS 76 13.238 19.726 -4.553 346 HD3 LYS 76 2HD LYS 76 14.035 18.872 -3.223 347 HE2 LYS 76 1HE LYS 76 16.228 19.259 -4.246 348 HE3 LYS 76 2HE LYS 76 15.470 20.027 -5.642 349 HZ1 LYS 76 1HZ LYS 76 16.281 21.639 -4.083 350 HZ2 LYS 76 2HZ LYS 76 14.637 21.735 -4.178 351 HZ3 LYS 76 3HZ LYS 76 15.347 21.018 -2.873 352 H PHE 77 H PHE 77 12.537 14.047 -3.646 353 HA PHE 77 HA PHE 77 9.561 13.791 -3.789 354 HB2 PHE 77 1HB PHE 77 11.648 11.751 -2.934 355 HB3 PHE 77 2HB PHE 77 9.926 11.556 -2.644 356 HD1 PHE 77 HD1 PHE 77 12.559 11.651 -5.202 357 HD2 PHE 77 HD2 PHE 77 8.401 11.040 -4.438 358 HE1 PHE 77 HE1 PHE 77 12.295 10.658 -7.450 359 HE2 PHE 77 HE2 PHE 77 8.131 10.043 -6.685 360 HZ PHE 77 HZ PHE 77 10.081 9.854 -8.192 361 H ILE 78 H ILE 78 8.379 13.900 -1.913 362 HA ILE 78 HA ILE 78 9.888 14.744 0.514 363 HB ILE 78 HB ILE 78 6.913 15.032 -0.089 364 HG12 ILE 78 1HG1 ILE 78 8.205 16.397 -1.616 365 HG13 ILE 78 2HG1 ILE 78 7.393 17.406 -0.430 366 HG21 ILE 78 1HG2 ILE 78 6.934 16.546 1.852 367 HG22 ILE 78 2HG2 ILE 78 7.441 14.904 2.314 368 HG23 ILE 78 3HG2 ILE 78 8.657 16.188 2.118 369 HD11 ILE 78 1HD1 ILE 78 9.656 18.189 -0.843 370 HD12 ILE 78 2HD1 ILE 78 9.486 17.625 0.838 371 HD13 ILE 78 3HD1 ILE 78 10.310 16.605 -0.366 372 H LEU 79 H LEU 79 10.163 13.347 2.099 373 HA LEU 79 HA LEU 79 8.652 10.794 1.902 374 HB2 LEU 79 1HB LEU 79 11.173 11.355 3.494 375 HB3 LEU 79 2HB LEU 79 10.490 9.780 3.077 376 HG LEU 79 HG LEU 79 11.769 11.751 1.151 377 HD11 LEU 79 1HD1 LEU 79 13.487 10.008 0.955 378 HD12 LEU 79 2HD1 LEU 79 13.352 10.615 2.623 379 HD13 LEU 79 3HD1 LEU 79 12.645 9.041 2.189 380 HD21 LEU 79 1HD2 LEU 79 11.452 9.952 -0.514 381 HD22 LEU 79 2HD2 LEU 79 10.582 8.983 0.699 382 HD23 LEU 79 3HD2 LEU 79 9.889 10.518 0.123 383 H LEU 80 H LEU 80 6.989 10.552 3.207 384 HA LEU 80 HA LEU 80 7.055 11.984 5.830 385 HB2 LEU 80 1HB LEU 80 4.635 11.098 4.218 386 HB3 LEU 80 2HB LEU 80 4.614 12.030 5.718 387 HG LEU 80 HG LEU 80 5.758 12.999 3.073 388 HD11 LEU 80 1HD1 LEU 80 3.776 14.446 3.025 389 HD12 LEU 80 2HD1 LEU 80 3.332 12.723 2.995 390 HD13 LEU 80 3HD1 LEU 80 3.166 13.659 4.501 391 HD21 LEU 80 1HD2 LEU 80 5.847 15.176 4.241 392 HD22 LEU 80 2HD2 LEU 80 5.266 14.400 5.734 393 HD23 LEU 80 3HD2 LEU 80 6.857 13.965 5.067 394 H SER 81 H SER 81 6.599 10.926 7.690 395 HA SER 81 HA SER 81 6.842 7.989 7.490 396 HB2 SER 81 1HB SER 81 8.379 9.104 8.984 397 HB3 SER 81 2HB SER 81 7.067 9.936 9.805 398 HG SER 81 HG SER 81 6.389 7.492 9.941 399 H GLY 82 H GLY 82 5.242 6.615 7.790 400 HA2 GLY 82 1HA GLY 82 3.311 5.759 8.901 401 HA3 GLY 82 2HA GLY 82 2.937 7.367 9.493 402 H ASP 83 H ASP 83 0.941 5.841 8.413 403 HA ASP 83 HA ASP 83 0.530 6.608 5.616 404 HB2 ASP 83 1HB ASP 83 -0.332 4.454 6.591 405 HB3 ASP 83 2HB ASP 83 -1.434 5.386 7.596 406 H THR 84 H THR 84 -0.108 8.547 5.003 407 HA THR 84 HA THR 84 -1.109 10.371 7.106 408 HB THR 84 HB THR 84 -0.542 12.181 5.547 409 HG1 THR 84 HG1 THR 84 -0.934 10.394 3.702 410 HG21 THR 84 1HG2 THR 84 1.884 11.790 5.361 411 HG22 THR 84 2HG2 THR 84 1.269 11.236 6.936 412 HG23 THR 84 3HG2 THR 84 1.631 10.055 5.657 413 H SER 85 H SER 85 -2.477 8.329 4.939 414 HA SER 85 HA SER 85 -4.532 10.042 3.826 415 HB2 SER 85 1HB SER 85 -3.926 7.962 2.723 416 HB3 SER 85 2HB SER 85 -4.341 7.032 4.154 417 HG SER 85 HG SER 85 -6.160 6.907 3.197 418 H ALA 569 1H ALA 569 9.335 24.189 -0.006 419 HA ALA 569 HA ALA 569 11.035 23.992 1.621 420 HB1 ALA 569 1HB ALA 569 12.852 23.355 0.068 421 HB2 ALA 569 2HB ALA 569 11.266 22.789 -0.506 422 HB3 ALA 569 3HB ALA 569 12.022 24.219 -1.245 423 H GLN 570 H GLN 570 13.093 24.638 2.392 424 HA GLN 570 HA GLN 570 13.555 27.560 1.954 425 HB2 GLN 570 1HB GLN 570 12.661 27.162 4.183 426 HB3 GLN 570 2HB GLN 570 13.835 25.888 4.480 427 HG2 GLN 570 1HG GLN 570 14.552 27.814 5.660 428 HG3 GLN 570 2HG GLN 570 15.648 27.617 4.264 429 HE21 GLN 570 1HE2 GLN 570 15.147 30.859 3.178 430 HE22 GLN 570 2HE2 GLN 570 16.171 29.470 3.334 431 H ALA 571 H ALA 571 15.445 28.154 1.195 432 HA ALA 571 HA ALA 571 17.542 26.115 0.893 433 HB1 ALA 571 1HB ALA 571 18.665 27.823 -0.499 434 HB2 ALA 571 2HB ALA 571 16.986 27.546 -1.022 435 HB3 ALA 571 3HB ALA 571 17.396 28.993 -0.073 436 H GLY 572 H GLY 572 19.687 26.328 1.590 437 HA2 GLY 572 1HA GLY 572 21.242 28.225 2.454 438 HA3 GLY 572 2HA GLY 572 20.109 28.311 3.789 439 H ALA 573 H ALA 573 20.406 25.154 2.540 440 HA ALA 573 HA ALA 573 22.413 24.461 4.638 441 HB1 ALA 573 1HB ALA 573 21.127 22.392 5.074 442 HB2 ALA 573 2HB ALA 573 20.166 23.850 5.416 443 HB3 ALA 573 3HB ALA 573 19.886 22.931 3.920 444 H ALA 574 H ALA 574 23.478 24.905 2.296 445 HA ALA 574 HA ALA 574 24.447 24.077 0.389 446 HB1 ALA 574 1HB ALA 574 25.232 21.731 0.455 447 HB2 ALA 574 2HB ALA 574 25.573 22.583 1.980 448 HB3 ALA 574 3HB ALA 574 24.215 21.439 1.884 449 H ASN 575 H ASN 575 21.374 23.833 0.946 450 HA ASN 575 HA ASN 575 20.674 22.938 -1.685 451 HB2 ASN 575 1HB ASN 575 21.159 20.783 -0.127 452 HB3 ASN 575 2HB ASN 575 19.478 21.069 0.304 453 HD21 ASN 575 1HD2 ASN 575 20.073 18.915 -2.829 454 HD22 ASN 575 2HD2 ASN 575 20.993 19.012 -1.365 455 H ARG 576 H ARG 576 18.130 22.389 -1.648 456 HA ARG 576 HA ARG 576 16.856 24.293 0.270 457 HB2 ARG 576 1HB ARG 576 16.945 25.161 -2.092 458 HB3 ARG 576 2HB ARG 576 15.974 23.786 -2.590 459 HG2 ARG 576 1HG ARG 576 14.095 24.538 -1.314 460 HG3 ARG 576 2HG ARG 576 15.069 25.801 -0.522 461 HD2 ARG 576 1HD ARG 576 15.456 26.788 -2.772 462 HD3 ARG 576 2HD ARG 576 14.275 25.623 -3.415 463 HE ARG 576 HE ARG 576 13.086 26.946 -1.240 464 HH11 ARG 576 1HH1 ARG 576 14.268 27.673 -4.466 465 HH12 ARG 576 2HH1 ARG 576 13.141 28.987 -4.718 466 HH21 ARG 576 1HH2 ARG 576 11.628 28.653 -1.578 467 HH22 ARG 576 2HH2 ARG 576 11.646 29.543 -3.085 468 H SER 577 H SER 577 15.566 23.260 1.635 469 HA SER 577 HA SER 577 14.338 20.698 0.728 470 HB2 SER 577 1HB SER 577 15.848 21.137 3.325 471 HB3 SER 577 2HB SER 577 15.010 19.665 2.861 472 HG SER 577 HG SER 577 17.022 19.328 2.274 473 H LEU 578 H LEU 578 12.780 19.839 2.426 474 HA LEU 578 HA LEU 578 11.091 22.154 3.245 475 HB2 LEU 578 1HB LEU 578 10.150 20.552 1.583 476 HB3 LEU 578 2HB LEU 578 10.318 19.253 2.767 477 HG LEU 578 HG LEU 578 8.727 20.523 4.265 478 HD11 LEU 578 1HD1 LEU 578 7.366 22.280 3.223 479 HD12 LEU 578 2HD1 LEU 578 9.083 22.741 3.308 480 HD13 LEU 578 3HD1 LEU 578 8.381 22.201 1.764 481 HD21 LEU 578 1HD2 LEU 578 6.741 19.864 2.951 482 HD22 LEU 578 2HD2 LEU 578 7.747 19.751 1.485 483 HD23 LEU 578 3HD2 LEU 578 8.019 18.630 2.841 484 H THR 579 H THR 579 10.341 22.399 5.278 485 HA THR 579 HA THR 579 11.882 21.321 7.402 486 HB THR 579 HB THR 579 9.125 22.624 7.492 487 HG1 THR 579 HG1 THR 579 10.904 24.274 8.361 488 HG21 THR 579 1HG2 THR 579 9.675 23.102 9.846 489 HG22 THR 579 2HG2 THR 579 9.626 21.348 9.548 490 HG23 THR 579 3HG2 THR 579 11.191 22.183 9.683 491 H GLU 580 H GLU 580 8.702 20.386 6.122 492 HA GLU 580 HA GLU 580 8.429 18.320 8.210 493 HB2 GLU 580 1HB GLU 580 6.455 19.662 7.527 494 HB3 GLU 580 2HB GLU 580 6.609 19.063 5.882 495 HG2 GLU 580 1HG GLU 580 6.184 16.771 6.672 496 HG3 GLU 580 2HG GLU 580 6.033 17.369 8.323 497 H GLY 581 H GLY 581 9.158 16.341 8.011 498 HA2 GLY 581 1HA GLY 581 9.607 14.270 7.026 499 HA3 GLY 581 2HA GLY 581 8.915 14.850 5.523 500 H PHE 582 H PHE 582 10.965 13.412 4.997 501 HA PHE 582 HA PHE 582 13.363 15.163 4.831 502 HB2 PHE 582 1HB PHE 582 12.987 12.208 4.201 503 HB3 PHE 582 2HB PHE 582 14.496 13.084 4.002 504 HD1 PHE 582 HD1 PHE 582 13.897 14.812 6.604 505 HD2 PHE 582 HD2 PHE 582 14.037 10.634 5.727 506 HE1 PHE 582 HE1 PHE 582 14.483 14.340 8.959 507 HE2 PHE 582 HE2 PHE 582 14.622 10.157 8.081 508 HZ PHE 582 HZ PHE 582 14.846 12.011 9.696 509 H VAL 583 H VAL 583 14.511 15.354 2.814 510 HA VAL 583 HA VAL 583 12.662 15.217 0.468 511 HB VAL 583 HB VAL 583 14.860 17.251 1.045 512 HG11 VAL 583 1HG1 VAL 583 14.071 18.380 -0.976 513 HG12 VAL 583 2HG1 VAL 583 14.705 16.753 -1.326 514 HG13 VAL 583 3HG1 VAL 583 12.947 17.036 -1.288 515 HG21 VAL 583 1HG2 VAL 583 12.980 18.850 1.201 516 HG22 VAL 583 2HG2 VAL 583 11.827 17.516 0.961 517 HG23 VAL 583 3HG2 VAL 583 12.836 17.568 2.426 518 H LEU 584 H LEU 584 13.259 13.829 -1.033 519 HA LEU 584 HA LEU 584 16.049 12.863 -1.087 520 HB2 LEU 584 1HB LEU 584 14.233 11.218 -1.178 521 HB3 LEU 584 2HB LEU 584 13.567 11.999 -2.616 522 HG LEU 584 HG LEU 584 15.654 11.388 -3.859 523 HD11 LEU 584 1HD1 LEU 584 17.163 9.737 -2.847 524 HD12 LEU 584 2HD1 LEU 584 17.162 11.267 -1.941 525 HD13 LEU 584 3HD1 LEU 584 16.271 9.860 -1.313 526 HD21 LEU 584 1HD2 LEU 584 15.079 8.990 -4.030 527 HD22 LEU 584 2HD2 LEU 584 14.156 9.102 -2.512 528 HD23 LEU 584 3HD2 LEU 584 13.612 9.997 -3.951 529 H ASP 585 H ASP 585 17.486 13.955 -2.221 530 HA ASP 585 HA ASP 585 16.631 15.449 -4.625 531 HB2 ASP 585 1HB ASP 585 18.141 16.551 -2.999 532 HB3 ASP 585 2HB ASP 585 19.336 15.282 -3.234 533 H THR 586 H THR 586 16.311 14.106 -6.306 534 HA THR 586 HA THR 586 17.893 11.668 -6.556 535 HB THR 586 HB THR 586 16.469 11.183 -8.500 536 HG1 THR 586 HG1 THR 586 15.454 13.824 -8.092 537 HG21 THR 586 1HG2 THR 586 14.271 11.234 -7.387 538 HG22 THR 586 2HG2 THR 586 15.551 10.758 -6.246 539 HG23 THR 586 3HG2 THR 586 14.893 12.409 -6.205 540 H MET 587 H MET 587 18.380 14.855 -7.471 541 HA MET 587 HA MET 587 19.748 14.215 -10.003 542 HB2 MET 587 1HB MET 587 18.374 16.303 -9.709 543 HB3 MET 587 2HB MET 587 19.543 16.866 -8.523 544 HG2 MET 587 1HG MET 587 19.949 17.906 -10.673 545 HG3 MET 587 2HG MET 587 21.305 16.860 -10.245 546 HE1 MET 587 1HE MET 587 18.186 16.067 -13.552 547 HE2 MET 587 2HE MET 587 17.714 16.219 -11.841 548 HE3 MET 587 3HE MET1587 18.422 17.610 -12.697 549 H ASN 588 H ASN 588 20.533 15.158 -6.685 550 HA ASN 588 HA ASN 588 23.421 14.833 -7.343 551 HB2 ASN 588 1HB ASN 588 21.998 16.067 -4.967 552 HB3 ASN 588 2HB ASN 588 23.729 15.766 -4.999 553 HD21 ASN 588 1HD2 ASN 588 22.184 19.027 -6.736 554 HD22 ASN 588 2HD2 ASN 588 21.267 17.923 -5.769 555 H ASP 589 H ASP 589 21.032 12.844 -6.653 556 HA ASP 589 HA ASP 589 20.892 10.772 -5.652 557 HB2 ASP 589 1HB ASP 589 23.911 10.914 -6.022 558 HB3 ASP 589 2HB ASP 589 23.020 9.450 -5.632 559 H SER 590 H SER 590 20.616 12.694 -3.788 560 HA SER 590 HA SER 590 21.980 11.532 -1.435 561 HB2 SER 590 1HB SER 590 23.454 13.359 -2.122 562 HB3 SER 590 2HB SER 590 22.096 14.474 -2.170 563 HG SER 590 HG SER 590 21.911 13.463 0.141 564 H LEU 591 H LEU 591 20.751 11.484 0.346 565 HA LEU 591 HA LEU 591 18.046 12.675 0.148 566 HB2 LEU 591 1HB LEU 591 18.173 10.316 0.756 567 HB3 LEU 591 2HB LEU 591 19.263 10.686 2.096 568 HG LEU 591 HG LEU 591 17.422 11.949 3.206 569 HD11 LEU 591 1HD1 LEU 591 15.139 11.711 2.335 570 HD12 LEU 591 2HD1 LEU 591 16.189 12.587 1.197 571 HD13 LEU 591 3HD1 LEU 591 15.776 10.882 0.895 572 HD21 LEU 591 1HD2 LEU 591 16.120 9.940 3.819 573 HD22 LEU 591 2HD2 LEU 591 16.770 9.085 2.399 574 HD23 LEU 591 3HD2 LEU 591 17.859 9.570 3.720 575 H SER 592 H SER 592 17.558 14.521 1.077 576 HA SER 592 HA SER 592 19.444 15.670 3.044 577 HB2 SER 592 1HB SER 592 18.783 17.125 1.238 578 HB3 SER 592 2HB SER 592 17.079 16.807 1.527 579 HG SER 592 HG SER 592 17.898 17.575 3.793 580 H LYS 593 H LYS 593 19.124 15.624 5.145 581 HA LYS 593 HA LYS 593 16.346 15.105 6.122 582 HB2 LYS 593 1HB LYS 593 19.003 14.293 7.367 583 HB3 LYS 593 2HB LYS 593 17.431 14.061 8.119 584 HG2 LYS 593 1HG LYS 593 16.764 12.590 6.233 585 HG3 LYS 593 2HG LYS 593 18.376 12.792 5.532 586 HD2 LYS 593 1HD LYS 593 19.378 11.843 7.600 587 HD3 LYS 593 2HD LYS 593 17.755 11.607 8.264 588 HE2 LYS 593 1HE LYS 593 17.198 10.098 6.392 589 HE3 LYS 593 2HE LYS 593 18.806 10.343 5.704 590 HZ1 LYS 593 1HZ LYS 593 18.687 8.325 6.969 591 HZ2 LYS 593 2HZ LYS 593 19.740 9.371 7.689 592 HZ3 LYS 593 3HZ LYS 593 18.238 9.139 8.331 Start of MODEL 9 1 H GLY 32 1H GLY 32 2.292 -1.806 -1.663 2 HA2 GLY 32 1HA GLY 32 3.450 -0.986 0.225 3 HA3 GLY 32 2HA GLY 32 4.326 -0.675 -1.263 4 H ILE 33 H ILE 33 4.802 1.389 -1.834 5 HA ILE 33 HA ILE 33 4.126 3.509 0.074 6 HB ILE 33 HB ILE 33 5.636 4.913 -1.302 7 HG12 ILE 33 1HG1 ILE 33 5.941 2.498 -3.100 8 HG13 ILE 33 2HG1 ILE 33 4.954 3.900 -3.486 9 HG21 ILE 33 1HG2 ILE 33 7.702 3.620 -0.956 10 HG22 ILE 33 2HG2 ILE 33 6.604 3.452 0.433 11 HG23 ILE 33 3HG2 ILE 33 6.744 2.134 -0.753 12 HD11 ILE 33 1HD1 ILE 33 7.127 4.032 -4.569 13 HD12 ILE 33 2HD1 ILE 33 6.939 5.344 -3.380 14 HD13 ILE 33 3HD1 ILE 33 7.939 3.924 -2.990 15 H ARG 34 H ARG 34 3.252 5.567 -0.542 16 HA ARG 34 HA ARG 34 1.457 5.396 -2.928 17 HB2 ARG 34 1HB ARG 34 0.262 5.530 -0.751 18 HB3 ARG 34 2HB ARG 34 1.088 7.040 -0.399 19 HG2 ARG 34 1HG ARG 34 -0.008 8.124 -2.288 20 HG3 ARG 34 2HG ARG 34 -0.798 6.589 -2.726 21 HD2 ARG 34 1HD ARG 34 -1.134 8.019 -0.101 22 HD3 ARG 34 2HD ARG 34 -2.251 8.123 -1.480 23 HE ARG 34 HE ARG 34 -1.888 5.878 0.354 24 HH11 ARG 34 1HH1 ARG 34 -3.224 7.016 -2.689 25 HH12 ARG 34 2HH1 ARG 34 -4.400 5.726 -2.800 26 HH21 ARG 34 1HH2 ARG 34 -3.419 4.209 0.200 27 HH22 ARG 34 2HH2 ARG 34 -4.512 4.137 -1.164 28 H VAL 35 H VAL 35 1.426 7.038 -4.388 29 HA VAL 35 HA VAL 35 3.521 9.133 -3.990 30 HB VAL 35 HB VAL 35 2.924 7.579 -6.544 31 HG11 VAL 35 1HG1 VAL 35 4.851 8.771 -7.469 32 HG12 VAL 35 2HG1 VAL 35 3.543 9.882 -7.002 33 HG13 VAL 35 3HG1 VAL 35 4.983 9.720 -5.969 34 HG21 VAL 35 1HG2 VAL 35 5.196 6.657 -6.216 35 HG22 VAL 35 2HG2 VAL 35 5.331 7.541 -4.676 36 HG23 VAL 35 3HG2 VAL 35 4.128 6.239 -4.854 37 H MET 36 H MET 36 2.802 11.131 -4.201 38 HA MET 36 HA MET 36 0.482 11.640 -5.992 39 HB2 MET 36 1HB MET 36 0.712 12.581 -3.107 40 HB3 MET 36 2HB MET 36 -0.518 13.114 -4.243 41 HG2 MET 36 1HG MET 36 -1.473 10.901 -4.355 42 HG3 MET 36 2HG MET 36 -0.142 10.224 -3.414 43 HE1 MET 36 1HE MET 36 -0.774 11.435 0.172 44 HE2 MET 36 2HE MET 36 0.051 10.256 -0.877 45 HE3 MET 36 3HE MET 36 0.420 11.992 -1.024 46 H ASP 37 H ASP 37 0.310 13.734 -6.808 47 HA ASP 37 HA ASP 37 2.817 15.237 -6.880 48 HB2 ASP 37 1HB ASP 37 0.084 15.747 -8.120 49 HB3 ASP 37 2HB ASP 37 1.477 16.795 -8.355 50 H HIS 38 H HIS 38 3.381 16.903 -5.673 51 HA HIS 38 HA HIS 38 1.788 17.751 -3.439 52 HB2 HIS 38 1HB HIS 38 4.358 17.853 -3.750 53 HB3 HIS 38 2HB HIS 38 4.065 19.347 -4.630 54 HD2 HIS 38 HD2 HIS 38 4.576 18.196 -1.050 55 HE1 HIS 38 HE1 HIS 38 2.795 22.061 -0.823 56 HE2 HIS 38 HE2 HIS 38 3.985 20.218 0.477 57 HA PRO 39 HA PRO 39 -1.106 20.377 -5.287 58 HB2 PRO 39 1HB PRO 39 -0.745 21.857 -2.642 59 HB3 PRO 39 2HB PRO 39 -2.245 21.450 -3.484 60 HG2 PRO 39 1HG PRO 39 -1.511 19.921 -1.441 61 HG3 PRO 39 2HG PRO 39 -2.109 19.140 -2.908 62 HD2 PRO 39 1HD PRO 39 0.752 19.486 -1.947 63 HD3 PRO 39 2HD PRO 39 -0.020 18.061 -2.752 64 H THR 40 H THR 40 1.739 21.709 -3.597 65 HA THR 40 HA THR 40 1.667 24.063 -5.430 66 HB THR 40 HB THR 40 2.414 25.495 -3.525 67 HG1 THR 40 HG1 THR 40 3.244 23.772 -2.213 68 HG21 THR 40 1HG2 THR 40 0.234 25.609 -2.382 69 HG22 THR 40 2HG2 THR 40 0.022 25.391 -4.136 70 HG23 THR 40 3HG2 THR 40 -0.197 24.011 -3.034 71 H MET 41 H MET 41 3.212 21.661 -5.717 72 HA MET 41 HA MET 41 5.727 23.177 -6.074 73 HB2 MET 41 1HB MET 41 5.668 20.337 -4.985 74 HB3 MET 41 2HB MET 41 7.109 21.248 -5.409 75 HG2 MET 41 1HG MET 41 6.638 22.865 -3.624 76 HG3 MET 41 2HG MET 41 5.155 22.000 -3.215 77 HE1 MET 41 1HE MET 41 7.523 21.198 -0.187 78 HE2 MET 41 2HE MET 41 7.444 22.718 -1.112 79 HE3 MET 41 3HE MET 41 5.946 21.854 -0.690 80 HA PRO 42 HA PRO 42 4.417 21.636 -10.024 81 HB2 PRO 42 1HB PRO 42 6.911 23.227 -10.750 82 HB3 PRO 42 2HB PRO 42 5.336 23.203 -11.555 83 HG2 PRO 42 1HG PRO 42 5.903 25.260 -9.968 84 HG3 PRO 42 2HG PRO 42 4.298 24.529 -9.870 85 HD2 PRO 42 1HD PRO 42 6.695 24.154 -8.035 86 HD3 PRO 42 2HD PRO 42 4.945 24.330 -7.607 87 H ASP 43 H ASP 43 7.541 21.411 -8.456 88 HA ASP 43 HA ASP 43 8.183 19.012 -10.101 89 HB2 ASP 43 1HB ASP 43 10.553 19.693 -10.181 90 HB3 ASP 43 2HB ASP 43 9.525 20.862 -10.998 91 H THR 44 H THR 44 6.963 18.995 -7.570 92 HA THR 44 HA THR 44 8.974 17.179 -6.406 93 HB THR 44 HB THR 44 7.508 19.216 -4.675 94 HG1 THR 44 HG1 THR 44 9.917 19.276 -5.973 95 HG21 THR 44 1HG2 THR 44 8.886 18.271 -2.864 96 HG22 THR 44 2HG2 THR 44 7.844 17.023 -3.588 97 HG23 THR 44 3HG2 THR 44 9.573 17.087 -3.999 98 H GLN 45 H GLN 45 8.134 15.300 -5.797 99 HA GLN 45 HA GLN 45 5.156 15.143 -5.606 100 HB2 GLN 45 1HB GLN 45 7.202 13.064 -6.461 101 HB3 GLN 45 2HB GLN 45 5.519 12.682 -6.127 102 HG2 GLN 45 1HG GLN 45 4.848 14.306 -7.897 103 HG3 GLN 45 2HG GLN 45 6.580 14.510 -8.287 104 HE21 GLN 45 1HE2 GLN 45 4.561 11.669 -10.117 105 HE22 GLN 45 2HE2 GLN 45 3.917 13.123 -9.428 106 H VAL 46 H VAL 46 4.203 13.877 -4.005 107 HA VAL 46 HA VAL 46 5.899 13.580 -1.589 108 HB VAL 46 HB VAL 46 2.874 13.451 -1.950 109 HG11 VAL 46 1HG1 VAL 46 2.769 13.506 0.494 110 HG12 VAL 46 2HG1 VAL 46 3.595 12.047 -0.104 111 HG13 VAL 46 3HG1 VAL 46 4.543 13.393 0.571 112 HG21 VAL 46 1HG2 VAL 46 2.915 15.631 -0.778 113 HG22 VAL 46 2HG2 VAL 46 4.693 15.578 -0.749 114 HG23 VAL 46 3HG2 VAL 46 3.832 15.700 -2.301 115 H VAL 47 H VAL 47 6.409 11.681 -0.689 116 HA VAL 47 HA VAL 47 5.033 9.245 -1.735 117 HB VAL 47 HB VAL 47 7.976 9.510 -0.985 118 HG11 VAL 47 1HG1 VAL 47 8.173 7.213 -1.804 119 HG12 VAL 47 2HG1 VAL 47 7.078 7.331 -0.407 120 HG13 VAL 47 3HG1 VAL 47 6.411 7.150 -2.048 121 HG21 VAL 47 1HG2 VAL 47 8.369 9.107 -3.395 122 HG22 VAL 47 2HG2 VAL 47 6.612 9.108 -3.680 123 HG23 VAL 47 3HG2 VAL 47 7.426 10.595 -3.137 124 H VAL 48 H VAL 48 4.139 7.982 -0.251 125 HA VAL 48 HA VAL 48 4.833 8.522 2.602 126 HB VAL 48 HB VAL 48 2.293 7.317 1.417 127 HG11 VAL 48 1HG1 VAL 48 1.381 7.560 3.675 128 HG12 VAL 48 2HG1 VAL 48 2.774 6.452 3.635 129 HG13 VAL 48 3HG1 VAL 48 2.970 8.108 4.258 130 HG21 VAL 48 1HG2 VAL 48 1.258 9.463 2.087 131 HG22 VAL 48 2HG2 VAL 48 2.848 10.064 2.615 132 HG23 VAL 48 3HG2 VAL 48 2.553 9.719 0.894 133 H ILE 49 H ILE 49 5.783 6.993 3.758 134 HA ILE 49 HA ILE 49 5.943 4.271 2.541 135 HB ILE 49 HB ILE 49 7.912 5.722 4.362 136 HG12 ILE 49 1HG1 ILE 49 9.315 5.115 2.163 137 HG13 ILE 49 2HG1 ILE 49 7.730 5.270 1.424 138 HG21 ILE 49 1HG2 ILE 49 9.343 3.744 4.041 139 HG22 ILE 49 2HG2 ILE 49 7.825 3.308 4.857 140 HG23 ILE 49 3HG2 ILE 49 8.042 2.945 3.129 141 HD11 ILE 49 1HD1 ILE 49 8.946 7.373 1.338 142 HD12 ILE 49 2HD1 ILE 49 7.497 7.528 2.362 143 HD13 ILE 49 3HD1 ILE 49 9.105 7.374 3.110 144 HA PRO 50 HA PRO 50 3.601 3.112 6.037 145 HB2 PRO 50 1HB PRO 50 3.412 0.425 5.500 146 HB3 PRO 50 2HB PRO 50 2.521 1.638 4.570 147 HG2 PRO 50 1HG PRO 50 5.177 0.297 3.905 148 HG3 PRO 50 2HG PRO 50 3.765 0.495 2.865 149 HD2 PRO 50 1HD PRO 50 5.867 2.213 2.716 150 HD3 PRO 50 2HD PRO 50 4.169 2.791 2.495 151 H LYS 51 H LYS 51 3.764 1.551 7.892 152 HA LYS 51 HA LYS 51 6.409 1.774 8.996 153 HB2 LYS 51 1HB LYS 51 4.318 1.918 10.347 154 HB3 LYS 51 2HB LYS 51 4.006 0.216 10.031 155 HG2 LYS 51 1HG LYS 51 6.029 -0.418 11.246 156 HG3 LYS 51 2HG LYS 51 6.435 1.286 11.499 157 HD2 LYS 51 1HD LYS 51 4.344 1.597 12.782 158 HD3 LYS 51 2HD LYS 51 3.930 -0.104 12.523 159 HE2 LYS 51 1HE LYS 51 5.982 -0.785 13.727 160 HE3 LYS 51 2HE LYS 51 6.396 0.912 13.987 161 HZ1 LYS 51 1HZ LYS 51 5.318 -0.036 15.892 162 HZ2 LYS 51 2HZ LYS 51 4.370 1.152 15.249 163 HZ3 LYS 51 3HZ LYS 51 3.984 -0.434 15.008 164 H SER 52 H SER 52 8.011 0.351 9.299 165 HA SER 52 HA SER 52 9.030 -1.752 9.470 166 HB2 SER 52 1HB SER 52 7.843 -3.726 9.316 167 HB3 SER 52 2HB SER 52 6.561 -2.599 9.733 168 HG SER 52 HG SER 52 5.736 -2.793 7.848 169 H ALA 53 H ALA 53 7.812 -0.175 6.744 170 HA ALA 53 HA ALA 53 9.113 -1.823 4.739 171 HB1 ALA 53 1HB ALA 53 8.642 0.073 3.224 172 HB2 ALA 53 2HB ALA 53 7.203 -0.395 4.159 173 HB3 ALA 53 3HB ALA 53 8.130 1.051 4.619 174 H ASP 54 H ASP 54 10.992 -1.423 3.588 175 HA ASP 54 HA ASP 54 13.070 -0.007 5.098 176 HB2 ASP 54 1HB ASP 54 13.591 -2.166 4.038 177 HB3 ASP 54 2HB ASP 54 13.163 -1.522 2.458 178 H LEU 55 H LEU 55 13.117 2.128 4.986 179 HA LEU 55 HA LEU 55 12.029 3.704 2.913 180 HB2 LEU 55 1HB LEU 55 12.606 4.513 5.196 181 HB3 LEU 55 2HB LEU 55 14.320 4.404 4.785 182 HG LEU 55 HG LEU 55 13.992 6.135 3.033 183 HD11 LEU 55 1HD1 LEU 55 11.876 7.375 2.965 184 HD12 LEU 55 2HD1 LEU 55 11.651 5.667 2.524 185 HD13 LEU 55 3HD1 LEU 55 11.172 6.238 4.139 186 HD21 LEU 55 1HD2 LEU 55 13.663 8.008 4.611 187 HD22 LEU 55 2HD2 LEU 55 12.984 6.881 5.810 188 HD23 LEU 55 3HD2 LEU 55 14.692 6.744 5.325 189 H GLN 56 H GLN 56 15.245 2.298 3.299 190 HA GLN 56 HA GLN 56 16.513 3.892 1.275 191 HB2 GLN 56 1HB GLN 56 17.689 2.592 3.102 192 HB3 GLN 56 2HB GLN 56 17.309 1.114 2.228 193 HG2 GLN 56 1HG GLN 56 19.575 1.795 1.769 194 HG3 GLN 56 2HG GLN 56 18.591 1.946 0.287 195 HE21 GLN 56 1HE2 GLN 56 19.693 5.184 -0.228 196 HE22 GLN 56 2HE2 GLN 56 19.298 3.619 -0.858 197 H SER 57 H SER 57 14.867 0.755 1.231 198 HA SER 57 HA SER 57 15.406 0.159 -1.519 199 HB2 SER 57 1HB SER 57 13.144 -0.646 0.336 200 HB3 SER 57 2HB SER 57 13.323 -1.273 -1.295 201 HG SER 57 HG SER 57 15.047 -1.527 0.899 202 H VAL 58 H VAL 58 12.812 1.970 0.103 203 HA VAL 58 HA VAL 58 11.285 2.532 -2.245 204 HB VAL 58 HB VAL 58 11.624 4.089 0.352 205 HG11 VAL 58 1HG1 VAL 58 9.577 5.277 -0.267 206 HG12 VAL 58 2HG1 VAL 58 10.904 5.596 -1.410 207 HG13 VAL 58 3HG1 VAL 58 9.594 4.477 -1.857 208 HG21 VAL 58 1HG2 VAL 58 9.425 3.085 0.885 209 HG22 VAL 58 2HG2 VAL 58 9.446 2.218 -0.669 210 HG23 VAL 58 3HG2 VAL 58 10.649 1.830 0.584 211 H ILE 59 H ILE 59 13.910 4.330 -0.619 212 HA ILE 59 HA ILE 59 13.977 6.540 -2.393 213 HB ILE 59 HB ILE 59 16.129 5.229 -0.692 214 HG12 ILE 59 1HG1 ILE 59 14.754 7.901 -0.375 215 HG13 ILE 59 2HG1 ILE 59 14.155 6.421 0.355 216 HG21 ILE 59 1HG2 ILE 59 17.512 7.218 -1.130 217 HG22 ILE 59 2HG2 ILE 59 17.211 6.305 -2.627 218 HG23 ILE 59 3HG2 ILE 59 16.307 7.803 -2.302 219 HD11 ILE 59 1HD1 ILE 59 15.470 7.711 1.941 220 HD12 ILE 59 2HD1 ILE 59 16.265 6.158 1.585 221 HD13 ILE 59 3HD1 ILE 59 16.872 7.660 0.847 222 H SER 60 H SER 60 15.650 3.398 -2.530 223 HA SER 60 HA SER 60 17.303 3.918 -4.750 224 HB2 SER 60 1HB SER 60 15.924 1.333 -3.950 225 HB3 SER 60 2HB SER 60 17.240 1.452 -5.106 226 HG SER 60 HG SER 60 17.277 2.212 -2.398 227 H VAL 61 H VAL 61 13.953 2.688 -4.659 228 HA VAL 61 HA VAL 61 13.642 2.391 -7.471 229 HB VAL 61 HB VAL 61 11.617 2.990 -5.277 230 HG11 VAL 61 1HG1 VAL 61 9.893 2.292 -6.868 231 HG12 VAL 61 2HG1 VAL 61 10.737 3.765 -7.403 232 HG13 VAL 61 3HG1 VAL 61 11.119 2.197 -8.153 233 HG21 VAL 61 1HG2 VAL 61 11.097 0.583 -5.531 234 HG22 VAL 61 2HG2 VAL 61 12.365 0.443 -6.772 235 HG23 VAL 61 3HG2 VAL 61 12.804 0.831 -5.092 236 H LEU 62 H LEU 62 13.107 5.159 -5.303 237 HA LEU 62 HA LEU 62 11.820 6.797 -7.277 238 HB2 LEU 62 1HB LEU 62 13.266 7.486 -4.697 239 HB3 LEU 62 2HB LEU 62 12.384 8.664 -5.674 240 HG LEU 62 HG LEU 62 11.140 6.218 -4.369 241 HD11 LEU 62 1HD1 LEU 62 10.174 7.835 -2.796 242 HD12 LEU 62 2HD1 LEU 62 11.951 7.821 -2.716 243 HD13 LEU 62 3HD1 LEU 62 11.108 9.140 -3.563 244 HD21 LEU 62 1HD2 LEU 62 9.023 7.343 -4.973 245 HD22 LEU 62 2HD2 LEU 62 9.942 8.643 -5.771 246 HD23 LEU 62 3HD2 LEU 62 9.996 6.987 -6.421 247 H THR 63 H THR 63 15.186 6.429 -6.223 248 HA THR 63 HA THR 63 16.189 8.661 -7.736 249 HB THR 63 HB THR 63 18.428 7.576 -7.388 250 HG1 THR 63 HG1 THR 63 16.761 5.450 -6.739 251 HG21 THR 63 1HG2 THR 63 18.406 7.745 -4.931 252 HG22 THR 63 2HG2 THR 63 17.455 9.057 -5.668 253 HG23 THR 63 3HG2 THR 63 16.630 7.662 -4.937 254 H ALA 64 H ALA 64 15.675 5.242 -8.455 255 HA ALA 64 HA ALA 64 17.062 5.218 -10.955 256 HB1 ALA 64 1HB ALA 64 15.720 3.196 -11.431 257 HB2 ALA 64 2HB ALA 64 16.411 3.159 -9.792 258 HB3 ALA 64 3HB ALA 64 14.692 3.557 -10.024 259 H LYS 65 H LYS 65 13.550 5.490 -10.285 260 HA LYS 65 HA LYS 65 12.963 6.082 -13.057 261 HB2 LYS 65 1HB LYS 65 11.306 6.280 -10.514 262 HB3 LYS 65 2HB LYS 65 10.668 6.652 -12.108 263 HG2 LYS 65 1HG LYS 65 11.802 3.970 -11.257 264 HG3 LYS 65 2HG LYS 65 10.085 4.383 -11.376 265 HD2 LYS 65 1HD LYS 65 10.284 4.752 -13.773 266 HD3 LYS 65 2HD LYS 65 12.037 4.526 -13.701 267 HE2 LYS 65 1HE LYS 65 11.681 2.189 -12.919 268 HE3 LYS 65 2HE LYS 65 9.936 2.421 -13.064 269 HZ1 LYS 65 1HZ LYS 65 10.846 1.347 -14.990 270 HZ2 LYS 65 2HZ LYS 65 10.244 2.825 -15.411 271 HZ3 LYS 65 3HZ LYS 65 11.873 2.607 -15.275 272 H GLY 66 H GLY 66 13.796 7.974 -10.258 273 HA2 GLY 66 1HA GLY 66 12.614 10.458 -10.934 274 HA3 GLY 66 2HA GLY 66 14.056 10.257 -9.956 275 H LYS 67 H LYS 67 15.552 8.864 -12.081 276 HA LYS 67 HA LYS 67 16.329 11.309 -13.580 277 HB2 LYS 67 1HB LYS 67 17.809 8.689 -13.110 278 HB3 LYS 67 2HB LYS 67 18.437 10.042 -14.042 279 HG2 LYS 67 1HG LYS 67 18.302 11.468 -11.999 280 HG3 LYS 67 2HG LYS 67 17.777 10.048 -11.083 281 HD2 LYS 67 1HD LYS 67 20.354 10.094 -12.684 282 HD3 LYS 67 2HD LYS 67 20.272 10.610 -10.992 283 HE2 LYS 67 1HE LYS 67 19.257 8.350 -10.453 284 HE3 LYS 67 2HE LYS 67 19.617 7.863 -12.111 285 HZ1 LYS 67 1HZ LYS 67 21.342 7.201 -10.604 286 HZ2 LYS 67 2HZ LYS 67 21.936 8.306 -11.677 287 HZ3 LYS 67 3HZ LYS 67 21.600 8.759 -10.126 288 H GLU 68 H GLU 68 14.989 8.128 -14.004 289 HA GLU 68 HA GLU 68 15.640 7.608 -16.688 290 HB2 GLU 68 1HB GLU 68 14.462 6.013 -15.193 291 HB3 GLU 68 2HB GLU 68 13.021 7.020 -15.245 292 HG2 GLU 68 1HG GLU 68 12.811 6.623 -17.653 293 HG3 GLU 68 2HG GLU 68 14.280 5.650 -17.633 294 H ALA 69 H ALA 69 12.948 9.535 -15.361 295 HA ALA 69 HA ALA 69 12.545 10.624 -18.110 296 HB1 ALA 69 1HB ALA 69 10.293 11.295 -17.337 297 HB2 ALA 69 2HB ALA 69 10.544 9.539 -17.191 298 HB3 ALA 69 3HB ALA 69 10.634 10.574 -15.746 299 H GLY 70 H GLY 70 11.328 12.113 -15.173 300 HA2 GLY 70 1HA GLY 70 12.392 13.749 -13.807 301 HA3 GLY 70 2HA GLY 70 13.669 13.917 -14.997 302 HA PRO 71 HA PRO 71 10.254 17.096 -15.721 303 HB2 PRO 71 1HB PRO 71 10.568 19.037 -13.854 304 HB3 PRO 71 2HB PRO 71 9.613 17.592 -13.501 305 HG2 PRO 71 1HG PRO 71 12.508 18.194 -12.766 306 HG3 PRO 71 2HG PRO 71 11.221 17.579 -11.725 307 HD2 PRO 71 1HD PRO 71 13.059 15.927 -12.942 308 HD3 PRO 71 2HD PRO 71 11.367 15.401 -12.571 309 H GLN 72 H GLN 72 10.716 19.584 -16.126 310 HA GLN 72 HA GLN 72 13.177 19.904 -17.548 311 HB2 GLN 72 1HB GLN 72 11.140 21.922 -16.539 312 HB3 GLN 72 2HB GLN 72 12.524 22.365 -17.525 313 HG2 GLN 72 1HG GLN 72 11.729 20.953 -19.342 314 HG3 GLN 72 2HG GLN 72 10.347 20.429 -18.339 315 HE21 GLN 72 1HE2 GLN 72 9.433 23.235 -20.714 316 HE22 GLN 72 2HE2 GLN 72 10.280 21.740 -20.936 317 H GLY 73 H GLY 73 12.185 20.699 -14.254 318 HA2 GLY 73 1HA GLY 73 14.846 21.913 -13.718 319 HA3 GLY 73 2HA GLY 73 13.451 21.976 -12.658 320 H ARG 74 H ARG 74 14.469 21.168 -10.841 321 HA ARG 74 HA ARG 74 15.923 18.620 -10.994 322 HB2 ARG 74 1HB ARG 74 15.230 20.426 -8.654 323 HB3 ARG 74 2HB ARG 74 16.182 18.955 -8.522 324 HG2 ARG 74 1HG ARG 74 17.873 19.935 -10.045 325 HG3 ARG 74 2HG ARG 74 16.920 21.438 -10.091 326 HD2 ARG 74 1HD ARG 74 17.979 20.175 -7.576 327 HD3 ARG 74 2HD ARG 74 18.811 21.450 -8.493 328 HE ARG 74 HE ARG 74 16.182 22.315 -7.972 329 HH11 ARG 74 1HH1 ARG 74 19.144 21.579 -6.233 330 HH12 ARG 74 2HH1 ARG 74 18.814 22.711 -4.940 331 HH21 ARG 74 1HH2 ARG 74 15.765 23.781 -6.288 332 HH22 ARG 74 2HH2 ARG 74 16.902 23.958 -4.970 333 H ASN 75 H ASN 75 15.372 16.727 -9.880 334 HA ASN 75 HA ASN 75 12.432 16.445 -9.465 335 HB2 ASN 75 1HB ASN 75 13.653 15.023 -11.201 336 HB3 ASN 75 2HB ASN 75 14.445 14.216 -9.855 337 HD21 ASN 75 1HD2 ASN 75 11.397 12.335 -10.884 338 HD22 ASN 75 2HD2 ASN 75 12.806 12.916 -11.707 339 H LYS 76 H LYS 76 11.929 16.816 -7.427 340 HA LYS 76 HA LYS 76 13.573 15.431 -5.347 341 HB2 LYS 76 1HB LYS 76 11.993 18.028 -5.190 342 HB3 LYS 76 2HB LYS 76 12.646 17.201 -3.782 343 HG2 LYS 76 1HG LYS 76 14.933 17.445 -4.724 344 HG3 LYS 76 2HG LYS 76 14.249 18.336 -6.089 345 HD2 LYS 76 1HD LYS 76 13.364 20.045 -4.549 346 HD3 LYS 76 2HD LYS 76 14.001 19.143 -3.167 347 HE2 LYS 76 1HE LYS 76 15.693 20.265 -5.429 348 HE3 LYS 76 2HE LYS 76 15.459 21.048 -3.863 349 HZ1 LYS 76 1HZ LYS 76 17.485 19.790 -3.928 350 HZ2 LYS 76 2HZ LYS 76 16.455 19.127 -2.822 351 HZ3 LYS 76 3HZ LYS 76 16.674 18.399 -4.285 352 H PHE 77 H PHE 77 12.566 14.328 -3.703 353 HA PHE 77 HA PHE 77 9.591 14.129 -3.899 354 HB2 PHE 77 1HB PHE 77 11.604 11.931 -3.299 355 HB3 PHE 77 2HB PHE 77 9.878 11.768 -3.020 356 HD1 PHE 77 HD1 PHE 77 12.480 12.174 -5.603 357 HD2 PHE 77 HD2 PHE 77 8.353 11.394 -4.819 358 HE1 PHE 77 HE1 PHE 77 12.172 11.452 -7.947 359 HE2 PHE 77 HE2 PHE 77 8.042 10.669 -7.161 360 HZ PHE 77 HZ PHE 77 9.953 10.700 -8.727 361 H ILE 78 H ILE 78 8.428 14.041 -2.000 362 HA ILE 78 HA ILE 78 9.973 14.588 0.484 363 HB ILE 78 HB ILE 78 7.035 14.975 -0.209 364 HG12 ILE 78 1HG1 ILE 78 9.124 16.994 0.628 365 HG13 ILE 78 2HG1 ILE 78 8.741 16.628 -1.047 366 HG21 ILE 78 1HG2 ILE 78 6.786 15.880 2.067 367 HG22 ILE 78 2HG2 ILE 78 7.247 14.163 2.110 368 HG23 ILE 78 3HG2 ILE 78 8.462 15.419 2.439 369 HD11 ILE 78 1HD1 ILE 78 7.570 18.622 -0.295 370 HD12 ILE 78 2HD1 ILE 78 6.413 17.323 -0.681 371 HD13 ILE 78 3HD1 ILE 78 6.802 17.698 1.015 372 H LEU 79 H LEU 79 10.203 13.116 2.017 373 HA LEU 79 HA LEU 79 8.815 10.520 1.564 374 HB2 LEU 79 1HB LEU 79 11.342 11.098 3.149 375 HB3 LEU 79 2HB LEU 79 10.676 9.506 2.776 376 HG LEU 79 HG LEU 79 11.862 11.473 0.790 377 HD11 LEU 79 1HD1 LEU 79 13.589 9.746 0.549 378 HD12 LEU 79 2HD1 LEU 79 13.505 10.364 2.216 379 HD13 LEU 79 3HD1 LEU 79 12.799 8.780 1.817 380 HD21 LEU 79 1HD2 LEU 79 11.509 9.660 -0.853 381 HD22 LEU 79 2HD2 LEU 79 10.688 8.690 0.395 382 HD23 LEU 79 3HD2 LEU 79 9.962 10.215 -0.168 383 H LEU 80 H LEU 80 7.146 10.130 2.826 384 HA LEU 80 HA LEU 80 7.182 11.285 5.582 385 HB2 LEU 80 1HB LEU 80 4.772 10.603 3.863 386 HB3 LEU 80 2HB LEU 80 4.743 11.353 5.462 387 HG LEU 80 HG LEU 80 5.882 12.612 2.942 388 HD11 LEU 80 1HD1 LEU 80 3.928 14.088 3.104 389 HD12 LEU 80 2HD1 LEU 80 3.452 12.388 2.882 390 HD13 LEU 80 3HD1 LEU 80 3.330 13.143 4.488 391 HD21 LEU 80 1HD2 LEU 80 6.035 14.635 4.353 392 HD22 LEU 80 2HD2 LEU 80 5.466 13.699 5.757 393 HD23 LEU 80 3HD2 LEU 80 7.037 13.319 5.010 394 H SER 81 H SER 81 6.314 10.070 7.292 395 HA SER 81 HA SER 81 6.259 7.138 6.769 396 HB2 SER 81 1HB SER 81 7.842 7.810 8.471 397 HB3 SER 81 2HB SER 81 6.618 8.747 9.313 398 HG SER 81 HG SER 81 5.546 6.464 9.116 399 H GLY 82 H GLY 82 4.446 6.011 6.870 400 HA2 GLY 82 1HA GLY 82 2.419 6.082 8.704 401 HA3 GLY 82 2HA GLY 82 1.931 7.350 7.596 402 H ASP 83 H ASP 83 0.507 4.918 8.088 403 HA ASP 83 HA ASP 83 1.037 2.910 6.127 404 HB2 ASP 83 1HB ASP 83 -1.511 3.670 7.606 405 HB3 ASP 83 2HB ASP 83 -1.390 2.271 6.548 406 H THR 84 H THR 84 0.147 2.474 4.133 407 HA THR 84 HA THR 84 -1.184 4.794 2.813 408 HB THR 84 HB THR 84 -0.506 3.750 0.674 409 HG1 THR 84 HG1 THR 84 1.204 1.948 1.239 410 HG21 THR 84 1HG2 THR 84 1.928 4.054 0.899 411 HG22 THR 84 2HG2 THR 84 1.045 5.318 1.784 412 HG23 THR 84 3HG2 THR 84 1.781 3.961 2.669 413 H SER 85 H SER 85 -1.972 1.999 4.349 414 HA SER 85 HA SER 85 -4.069 1.210 2.400 415 HB2 SER 85 1HB SER 85 -2.705 -0.606 3.254 416 HB3 SER 85 2HB SER 85 -3.011 -0.116 4.914 417 HG SER 85 HG SER 85 -5.097 -0.715 3.147 418 H ALA 569 1H ALA 569 8.467 24.498 1.127 419 HA ALA 569 HA ALA 569 9.130 25.952 2.866 420 HB1 ALA 569 1HB ALA 569 11.544 25.419 2.786 421 HB2 ALA 569 2HB ALA 569 10.545 24.026 2.308 422 HB3 ALA 569 3HB ALA 569 11.384 24.988 1.068 423 H GLN 570 H GLN 570 11.368 27.342 3.165 424 HA GLN 570 HA GLN 570 10.412 29.918 2.617 425 HB2 GLN 570 1HB GLN 570 11.991 29.605 4.397 426 HB3 GLN 570 2HB GLN 570 13.195 28.925 3.312 427 HG2 GLN 570 1HG GLN 570 13.843 31.150 3.902 428 HG3 GLN 570 2HG GLN 570 13.369 31.136 2.181 429 HE21 GLN 570 1HE2 GLN 570 11.264 33.840 2.639 430 HE22 GLN 570 2HE2 GLN 570 12.453 33.014 1.689 431 H ALA 571 H ALA 571 10.357 31.180 0.911 432 HA ALA 571 HA ALA 571 11.354 30.394 -1.624 433 HB1 ALA 571 1HB ALA 571 10.809 32.702 -2.330 434 HB2 ALA 571 2HB ALA 571 9.504 31.984 -1.356 435 HB3 ALA 571 3HB ALA 571 10.612 33.167 -0.625 436 H GLY 572 H GLY 572 13.178 30.723 -2.728 437 HA2 GLY 572 1HA GLY 572 15.233 31.784 -3.265 438 HA3 GLY 572 2HA GLY 572 15.171 32.677 -1.758 439 H ALA 573 H ALA 573 14.388 29.780 -0.655 440 HA ALA 573 HA ALA 573 17.034 29.216 0.349 441 HB1 ALA 573 1HB ALA 573 15.952 27.278 1.441 442 HB2 ALA 573 2HB ALA 573 15.028 28.778 1.691 443 HB3 ALA 573 3HB ALA 573 14.476 27.581 0.496 444 H ALA 574 H ALA 574 15.269 28.242 -2.441 445 HA ALA 574 HA ALA 574 15.761 26.793 -4.149 446 HB1 ALA 574 1HB ALA 574 18.150 26.340 -4.606 447 HB2 ALA 574 2HB ALA 574 17.864 28.057 -4.235 448 HB3 ALA 574 3HB ALA 574 18.571 26.987 -3.002 449 H ASN 575 H ASN 575 14.947 25.749 -1.525 450 HA ASN 575 HA ASN 575 15.656 22.937 -2.095 451 HB2 ASN 575 1HB ASN 575 16.213 22.420 0.200 452 HB3 ASN 575 2HB ASN 575 17.286 23.686 -0.382 453 HD21 ASN 575 1HD2 ASN 575 16.612 25.435 2.534 454 HD22 ASN 575 2HD2 ASN 575 17.772 24.651 1.516 455 H ARG 576 H ARG 576 14.455 21.707 0.013 456 HA ARG 576 HA ARG 576 11.650 22.718 -0.103 457 HB2 ARG 576 1HB ARG 576 12.579 19.861 -0.549 458 HB3 ARG 576 2HB ARG 576 10.903 20.341 -0.333 459 HG2 ARG 576 1HG ARG 576 12.662 21.378 -2.564 460 HG3 ARG 576 2HG ARG 576 11.591 19.963 -2.700 461 HD2 ARG 576 1HD ARG 576 9.682 21.363 -2.151 462 HD3 ARG 576 2HD ARG 576 10.756 22.777 -2.029 463 HE ARG 576 HE ARG 576 9.923 21.374 -4.473 464 HH11 ARG 576 1HH1 ARG 576 11.912 23.851 -2.971 465 HH12 ARG 576 2HH1 ARG 576 12.202 24.705 -4.469 466 HH21 ARG 576 1HH2 ARG 576 10.306 22.493 -6.413 467 HH22 ARG 576 2HH2 ARG 576 11.292 23.937 -6.419 468 H SER 577 H SER 577 13.411 23.161 2.022 469 HA SER 577 HA SER 577 13.604 21.240 4.020 470 HB2 SER 577 1HB SER 577 14.646 23.437 4.191 471 HB3 SER 577 2HB SER 577 13.075 24.216 4.294 472 HG SER 577 HG SER 577 12.792 22.703 6.148 473 H LEU 578 H LEU 578 12.314 20.282 5.464 474 HA LEU 578 HA LEU 578 9.415 20.968 5.255 475 HB2 LEU 578 1HB LEU 578 10.676 18.284 5.916 476 HB3 LEU 578 2HB LEU 578 8.953 18.612 5.708 477 HG LEU 578 HG LEU 578 11.025 18.874 3.501 478 HD11 LEU 578 1HD1 LEU 578 10.083 16.767 2.664 479 HD12 LEU 578 2HD1 LEU 578 10.829 16.563 4.265 480 HD13 LEU 578 3HD1 LEU 578 9.057 16.650 4.113 481 HD21 LEU 578 1HD2 LEU 578 9.020 18.960 2.057 482 HD22 LEU 578 2HD2 LEU 578 7.979 18.874 3.499 483 HD23 LEU 578 3HD2 LEU 578 9.018 20.294 3.236 484 H THR 579 H THR 579 8.150 21.067 7.105 485 HA THR 579 HA THR 579 9.336 21.132 9.724 486 HB THR 579 HB THR 579 6.446 20.627 8.888 487 HG1 THR 579 HG1 THR 579 6.432 22.936 9.712 488 HG21 THR 579 1HG2 THR 579 5.901 21.293 11.197 489 HG22 THR 579 2HG2 THR 579 6.917 19.832 11.180 490 HG23 THR 579 3HG2 THR 579 7.634 21.410 11.577 491 H GLU 580 H GLU 580 7.790 18.584 7.798 492 HA GLU 580 HA GLU 580 8.987 16.588 9.631 493 HB2 GLU 580 1HB GLU 580 6.679 16.955 10.465 494 HB3 GLU 580 2HB GLU 580 6.038 16.604 8.866 495 HG2 GLU 580 1HG GLU 580 6.858 14.315 9.000 496 HG3 GLU 580 2HG GLU 580 7.614 14.650 10.556 497 H GLY 581 H GLY 581 9.626 14.736 8.670 498 HA2 GLY 581 1HA GLY 581 9.608 13.098 6.903 499 HA3 GLY 581 2HA GLY 581 8.839 14.261 5.839 500 H PHE 582 H PHE 582 10.906 12.966 4.784 501 HA PHE 582 HA PHE 582 13.267 14.770 5.089 502 HB2 PHE 582 1HB PHE 582 13.184 11.984 3.871 503 HB3 PHE 582 2HB PHE 582 14.616 12.949 4.188 504 HD1 PHE 582 HD1 PHE 582 12.959 10.207 5.292 505 HD2 PHE 582 HD2 PHE 582 14.515 13.881 6.821 506 HE1 PHE 582 HE1 PHE 582 13.142 9.192 7.539 507 HE2 PHE 582 HE2 PHE 582 14.703 12.868 9.068 508 HZ PHE 582 HZ PHE 582 14.014 10.523 9.427 509 H VAL 583 H VAL 583 14.523 15.202 3.131 510 HA VAL 583 HA VAL 583 12.739 15.397 0.741 511 HB VAL 583 HB VAL 583 15.056 17.199 1.567 512 HG11 VAL 583 1HG1 VAL 583 14.391 18.589 -0.334 513 HG12 VAL 583 2HG1 VAL 583 14.921 16.969 -0.847 514 HG13 VAL 583 3HG1 VAL 583 13.186 17.368 -0.806 515 HG21 VAL 583 1HG2 VAL 583 13.284 18.899 1.865 516 HG22 VAL 583 2HG2 VAL 583 12.050 17.681 1.464 517 HG23 VAL 583 3HG2 VAL 583 13.027 17.506 2.942 518 H LEU 584 H LEU 584 13.271 14.120 -0.880 519 HA LEU 584 HA LEU 584 16.052 13.058 -0.972 520 HB2 LEU 584 1HB LEU 584 14.315 11.362 -0.787 521 HB3 LEU 584 2HB LEU 584 13.453 12.038 -2.171 522 HG LEU 584 HG LEU 584 15.422 11.420 -3.613 523 HD11 LEU 584 1HD1 LEU 584 17.044 9.821 -2.699 524 HD12 LEU 584 2HD1 LEU 584 17.119 11.387 -1.857 525 HD13 LEU 584 3HD1 LEU 584 16.312 10.001 -1.087 526 HD21 LEU 584 1HD2 LEU 584 14.858 9.014 -3.631 527 HD22 LEU 584 2HD2 LEU 584 14.094 9.181 -2.032 528 HD23 LEU 584 3HD2 LEU 584 13.396 10.013 -3.442 529 H ASP 585 H ASP 585 17.397 13.890 -2.396 530 HA ASP 585 HA ASP 585 16.317 15.104 -4.878 531 HB2 ASP 585 1HB ASP 585 18.017 16.377 -3.607 532 HB3 ASP 585 2HB ASP 585 19.149 15.040 -3.760 533 H THR 586 H THR 586 15.883 13.681 -6.430 534 HA THR 586 HA THR 586 17.374 11.140 -6.484 535 HB THR 586 HB THR 586 15.670 10.520 -8.250 536 HG1 THR 586 HG1 THR 586 14.844 13.175 -7.676 537 HG21 THR 586 1HG2 THR 586 13.782 10.377 -6.675 538 HG22 THR 586 2HG2 THR 586 15.316 9.985 -5.864 539 HG23 THR 586 3HG2 THR 586 14.564 11.577 -5.621 540 H MET 587 H MET 587 17.863 14.129 -7.766 541 HA MET 587 HA MET 587 18.938 13.109 -10.336 542 HB2 MET 587 1HB MET 587 18.747 15.939 -9.234 543 HB3 MET 587 2HB MET 587 19.358 15.514 -10.826 544 HG2 MET 587 1HG MET 587 16.529 15.178 -9.801 545 HG3 MET 587 2HG MET 587 17.100 16.292 -11.045 546 HE1 MET 587 1HE MET 587 17.922 13.951 -14.037 547 HE2 MET 587 2HE MET 587 17.730 15.632 -13.480 548 HE3 MET 587 3HE MET 587 19.041 14.620 -12.826 549 H ASN 588 H ASN 588 19.967 14.457 -7.240 550 HA ASN 588 HA ASN 588 22.793 13.939 -8.048 551 HB2 ASN 588 1HB ASN 588 21.611 15.601 -5.803 552 HB3 ASN 588 2HB ASN 588 23.325 15.233 -5.937 553 HD21 ASN 588 1HD2 ASN 588 21.674 18.197 -8.089 554 HD22 ASN 588 2HD2 ASN 588 20.802 17.274 -6.910 555 H ASP 589 H ASP 589 20.355 12.254 -6.814 556 HA ASP 589 HA ASP 589 20.228 10.369 -5.490 557 HB2 ASP 589 1HB ASP 589 23.156 10.276 -6.307 558 HB3 ASP 589 2HB ASP 589 22.348 8.964 -5.460 559 H SER 590 H SER 590 20.171 12.443 -3.873 560 HA SER 590 HA SER 590 21.862 11.606 -1.586 561 HB2 SER 590 1HB SER 590 23.109 13.422 -2.649 562 HB3 SER 590 2HB SER 590 21.682 14.447 -2.639 563 HG SER 590 HG SER 590 21.852 13.694 -0.230 564 H LEU 591 H LEU 591 20.787 11.550 0.268 565 HA LEU 591 HA LEU 591 18.047 12.684 0.313 566 HB2 LEU 591 1HB LEU 591 18.334 10.326 0.954 567 HB3 LEU 591 2HB LEU 591 19.475 10.793 2.219 568 HG LEU 591 HG LEU 591 17.601 12.067 3.332 569 HD11 LEU 591 1HD1 LEU 591 15.308 11.542 2.632 570 HD12 LEU 591 2HD1 LEU 591 16.207 12.392 1.353 571 HD13 LEU 591 3HD1 LEU 591 15.941 10.636 1.237 572 HD21 LEU 591 1HD2 LEU 591 16.530 10.019 4.209 573 HD22 LEU 591 2HD2 LEU 591 17.181 9.091 2.836 574 HD23 LEU 591 3HD2 LEU 591 18.288 9.798 4.035 575 H SER 592 H SER 592 17.613 14.535 1.262 576 HA SER 592 HA SER 592 19.659 15.733 3.040 577 HB2 SER 592 1HB SER 592 18.876 17.157 1.257 578 HB3 SER 592 2HB SER 592 17.197 16.853 1.671 579 HG SER 592 HG SER 592 18.170 17.661 3.858 580 H LYS 593 H LYS 593 19.473 15.816 5.162 581 HA LYS 593 HA LYS 593 16.969 16.123 6.534 582 HB2 LYS 593 1HB LYS 593 16.826 13.944 7.639 583 HB3 LYS 593 2HB LYS 593 16.682 13.751 5.898 584 HG2 LYS 593 1HG LYS 593 19.018 13.010 5.763 585 HG3 LYS 593 2HG LYS 593 19.203 13.249 7.505 586 HD2 LYS 593 1HD LYS 593 17.418 11.575 7.917 587 HD3 LYS 593 2HD LYS 593 17.263 11.324 6.171 588 HE2 LYS 593 1HE LYS 593 19.598 10.555 6.058 589 HE3 LYS 593 2HE LYS 593 19.796 10.852 7.787 590 HZ1 LYS 593 1HZ LYS 593 19.348 8.553 7.331 591 HZ2 LYS 593 2HZ LYS 593 18.107 9.199 8.205 592 HZ3 LYS 593 3HZ LYS 593 17.922 8.922 6.589 Start of MODEL 10 1 H GLY 32 1H GLY 32 2.392 -2.507 1.067 2 HA2 GLY 32 1HA GLY 32 4.250 -1.356 0.169 3 HA3 GLY 32 2HA GLY 32 2.794 -1.069 -0.764 4 H ILE 33 H ILE 33 3.783 0.897 -1.518 5 HA ILE 33 HA ILE 33 3.524 3.105 0.478 6 HB ILE 33 HB ILE 33 5.282 4.338 -0.757 7 HG12 ILE 33 1HG1 ILE 33 5.677 1.805 -2.363 8 HG13 ILE 33 2HG1 ILE 33 4.829 3.225 -2.953 9 HG21 ILE 33 1HG2 ILE 33 7.204 2.963 -0.069 10 HG22 ILE 33 2HG2 ILE 33 5.925 2.939 1.168 11 HG23 ILE 33 3HG2 ILE 33 6.139 1.544 0.084 12 HD11 ILE 33 1HD1 ILE 33 7.127 3.186 -3.745 13 HD12 ILE 33 2HD1 ILE 33 6.861 4.577 -2.665 14 HD13 ILE 33 3HD1 ILE 33 7.722 3.138 -2.069 15 H ARG 34 H ARG 34 3.152 5.260 -0.583 16 HA ARG 34 HA ARG 34 1.635 4.978 -3.137 17 HB2 ARG 34 1HB ARG 34 0.824 6.610 -0.708 18 HB3 ARG 34 2HB ARG 34 0.050 6.713 -2.281 19 HG2 ARG 34 1HG ARG 34 0.196 4.165 -0.657 20 HG3 ARG 34 2HG ARG 34 -1.159 5.320 -0.602 21 HD2 ARG 34 1HD ARG 34 -1.473 5.019 -3.011 22 HD3 ARG 34 2HD ARG 34 -0.169 3.808 -3.009 23 HE ARG 34 HE ARG 34 -2.877 3.518 -1.919 24 HH11 ARG 34 1HH1 ARG 34 0.359 2.192 -2.256 25 HH12 ARG 34 2HH1 ARG 34 -0.133 0.561 -1.857 26 HH21 ARG 34 1HH2 ARG 34 -3.503 1.397 -1.403 27 HH22 ARG 34 2HH2 ARG 34 -2.319 0.110 -1.374 28 H VAL 35 H VAL 35 1.611 6.802 -4.493 29 HA VAL 35 HA VAL 35 3.577 8.926 -3.792 30 HB VAL 35 HB VAL 35 3.524 7.412 -6.438 31 HG11 VAL 35 1HG1 VAL 35 5.539 8.700 -6.956 32 HG12 VAL 35 2HG1 VAL 35 4.123 9.748 -6.704 33 HG13 VAL 35 3HG1 VAL 35 5.357 9.596 -5.430 34 HG21 VAL 35 1HG2 VAL 35 5.733 6.554 -5.725 35 HG22 VAL 35 2HG2 VAL 35 5.549 7.383 -4.161 36 HG23 VAL 35 3HG2 VAL 35 4.453 6.050 -4.597 37 H MET 36 H MET 36 2.960 10.916 -4.330 38 HA MET 36 HA MET 36 0.944 11.289 -6.464 39 HB2 MET 36 1HB MET 36 -0.500 12.655 -5.029 40 HB3 MET 36 2HB MET 36 -0.383 11.017 -4.403 41 HG2 MET 36 1HG MET 36 1.296 11.802 -2.742 42 HG3 MET 36 2HG MET 36 1.086 13.449 -3.345 43 HE1 MET 36 1HE MET 36 -0.720 13.523 0.143 44 HE2 MET 36 2HE MET 36 0.736 12.593 -0.286 45 HE3 MET 36 3HE MET 36 0.538 14.260 -0.877 46 H ASP 37 H ASP 37 0.894 13.326 -7.383 47 HA ASP 37 HA ASP 37 3.360 14.786 -7.305 48 HB2 ASP 37 1HB ASP 37 0.635 15.469 -8.471 49 HB3 ASP 37 2HB ASP 37 2.060 16.479 -8.684 50 H HIS 38 H HIS 38 3.913 16.739 -6.429 51 HA HIS 38 HA HIS 38 2.545 17.621 -4.040 52 HB2 HIS 38 1HB HIS 38 5.054 17.893 -4.736 53 HB3 HIS 38 2HB HIS 38 4.494 19.321 -5.595 54 HD2 HIS 38 HD2 HIS 38 5.321 18.194 -1.993 55 HE1 HIS 38 HE1 HIS 38 3.748 22.148 -1.782 56 HE2 HIS 38 HE2 HIS 38 4.920 20.284 -0.496 57 HA PRO 39 HA PRO 39 -0.567 19.905 -5.899 58 HB2 PRO 39 1HB PRO 39 -1.442 21.340 -3.700 59 HB3 PRO 39 2HB PRO 39 -1.742 19.610 -3.905 60 HG2 PRO 39 1HG PRO 39 0.479 20.990 -2.338 61 HG3 PRO 39 2HG PRO 39 -0.577 19.678 -1.810 62 HD2 PRO 39 1HD PRO 39 1.912 19.141 -2.712 63 HD3 PRO 39 2HD PRO 39 0.531 18.051 -3.132 64 H THR 40 H THR 40 2.187 21.396 -4.420 65 HA THR 40 HA THR 40 1.406 24.073 -5.483 66 HB THR 40 HB THR 40 3.469 23.359 -3.354 67 HG1 THR 40 HG1 THR 40 0.809 24.351 -3.287 68 HG21 THR 40 1HG2 THR 40 3.608 25.795 -3.013 69 HG22 THR 40 2HG2 THR 40 4.094 25.355 -4.668 70 HG23 THR 40 3HG2 THR 40 2.486 26.053 -4.370 71 H MET 41 H MET 41 4.217 21.881 -5.142 72 HA MET 41 HA MET 41 5.638 23.566 -7.138 73 HB2 MET 41 1HB MET 41 6.667 21.468 -5.189 74 HB3 MET 41 2HB MET 41 7.673 22.359 -6.321 75 HG2 MET 41 1HG MET 41 7.089 24.469 -5.204 76 HG3 MET 41 2HG MET 41 6.038 23.596 -4.085 77 HE1 MET 41 1HE MET 41 8.454 21.627 -1.832 78 HE2 MET 41 2HE MET 41 6.806 22.268 -2.045 79 HE3 MET 41 3HE MET 41 7.445 21.055 -3.182 80 HA PRO 42 HA PRO 42 4.483 20.495 -10.081 81 HB2 PRO 42 1HB PRO 42 6.507 22.125 -11.667 82 HB3 PRO 42 2HB PRO 42 4.912 21.547 -12.167 83 HG2 PRO 42 1HG PRO 42 5.149 24.097 -11.469 84 HG3 PRO 42 2HG PRO 42 3.757 23.185 -10.874 85 HD2 PRO 42 1HD PRO 42 6.341 23.900 -9.430 86 HD3 PRO 42 2HD PRO 42 4.640 23.948 -8.816 87 H ASP 43 H ASP 43 7.739 21.442 -9.120 88 HA ASP 43 HA ASP 43 8.975 19.212 -10.607 89 HB2 ASP 43 1HB ASP 43 11.095 20.196 -9.966 90 HB3 ASP 43 2HB ASP 43 10.043 21.471 -10.568 91 H THR 44 H THR 44 7.273 19.259 -7.901 92 HA THR 44 HA THR 44 9.141 17.435 -6.446 93 HB THR 44 HB THR 44 7.189 19.431 -5.218 94 HG1 THR 44 HG1 THR 44 9.215 20.279 -6.056 95 HG21 THR 44 1HG2 THR 44 8.142 18.681 -3.072 96 HG22 THR 44 2HG2 THR 44 7.353 17.333 -3.926 97 HG23 THR 44 3HG2 THR 44 9.127 17.472 -3.928 98 H GLN 45 H GLN 45 8.362 15.538 -5.737 99 HA GLN 45 HA GLN 45 5.398 15.165 -5.836 100 HB2 GLN 45 1HB GLN 45 7.565 13.142 -6.531 101 HB3 GLN 45 2HB GLN 45 5.860 12.751 -6.360 102 HG2 GLN 45 1HG GLN 45 5.330 14.305 -8.206 103 HG3 GLN 45 2HG GLN 45 7.078 14.623 -8.400 104 HE21 GLN 45 1HE2 GLN 45 5.338 11.434 -10.142 105 HE22 GLN 45 2HE2 GLN 45 4.456 12.689 -9.335 106 H VAL 46 H VAL 46 4.613 13.405 -4.413 107 HA VAL 46 HA VAL 46 6.175 13.463 -1.864 108 HB VAL 46 HB VAL 46 3.152 13.620 -2.235 109 HG11 VAL 46 1HG1 VAL 46 3.069 13.925 0.191 110 HG12 VAL 46 2HG1 VAL 46 3.743 12.341 -0.258 111 HG13 VAL 46 3HG1 VAL 46 4.824 13.646 0.286 112 HG21 VAL 46 1HG2 VAL 46 3.415 15.890 -1.284 113 HG22 VAL 46 2HG2 VAL 46 5.180 15.666 -1.242 114 HG23 VAL 46 3HG2 VAL 46 4.326 15.719 -2.803 115 H VAL 47 H VAL 47 6.413 11.610 -0.760 116 HA VAL 47 HA VAL 47 4.988 9.211 -1.831 117 HB VAL 47 HB VAL 47 7.848 9.302 -0.786 118 HG11 VAL 47 1HG1 VAL 47 7.990 7.028 -1.679 119 HG12 VAL 47 2HG1 VAL 47 6.744 7.172 -0.414 120 HG13 VAL 47 3HG1 VAL 47 6.269 7.099 -2.129 121 HG21 VAL 47 1HG2 VAL 47 8.499 8.962 -3.149 122 HG22 VAL 47 2HG2 VAL 47 6.792 9.098 -3.636 123 HG23 VAL 47 3HG2 VAL 47 7.633 10.501 -2.934 124 H VAL 48 H VAL 48 4.088 7.852 -0.399 125 HA VAL 48 HA VAL 48 4.385 8.585 2.479 126 HB VAL 48 HB VAL 48 2.124 7.096 1.076 127 HG11 VAL 48 1HG1 VAL 48 0.924 7.366 3.191 128 HG12 VAL 48 2HG1 VAL 48 2.400 6.388 3.382 129 HG13 VAL 48 3HG1 VAL 48 2.378 8.084 3.924 130 HG21 VAL 48 1HG2 VAL 48 0.835 9.167 1.489 131 HG22 VAL 48 2HG2 VAL 48 2.292 9.937 2.164 132 HG23 VAL 48 3HG2 VAL 48 2.242 9.483 0.446 133 H ILE 49 H ILE 49 5.551 7.269 3.682 134 HA ILE 49 HA ILE 49 5.710 4.398 2.864 135 HB ILE 49 HB ILE 49 7.889 6.087 4.164 136 HG12 ILE 49 1HG1 ILE 49 8.903 5.220 1.796 137 HG13 ILE 49 2HG1 ILE 49 7.222 5.471 1.351 138 HG21 ILE 49 1HG2 ILE 49 9.299 4.103 3.800 139 HG22 ILE 49 2HG2 ILE 49 7.930 3.727 4.873 140 HG23 ILE 49 3HG2 ILE 49 7.892 3.214 3.170 141 HD11 ILE 49 1HD1 ILE 49 8.549 7.463 0.925 142 HD12 ILE 49 2HD1 ILE 49 7.332 7.779 2.185 143 HD13 ILE 49 3HD1 ILE 49 9.036 7.526 2.634 144 HA PRO 50 HA PRO 50 3.906 3.991 6.834 145 HB2 PRO 50 1HB PRO 50 3.419 1.292 6.742 146 HB3 PRO 50 2HB PRO 50 2.472 2.450 5.801 147 HG2 PRO 50 1HG PRO 50 4.857 0.767 4.917 148 HG3 PRO 50 2HG PRO 50 3.300 0.968 4.106 149 HD2 PRO 50 1HD PRO 50 5.477 2.426 3.364 150 HD3 PRO 50 2HD PRO 50 3.812 3.134 3.326 151 H LYS 51 H LYS 51 4.312 2.742 8.854 152 HA LYS 51 HA LYS 51 7.106 2.797 9.456 153 HB2 LYS 51 1HB LYS 51 5.308 3.262 11.115 154 HB3 LYS 51 2HB LYS 51 4.820 1.574 11.052 155 HG2 LYS 51 1HG LYS 51 6.980 0.881 11.968 156 HG3 LYS 51 2HG LYS 51 7.539 2.560 11.965 157 HD2 LYS 51 1HD LYS 51 5.730 3.169 13.538 158 HD3 LYS 51 2HD LYS 51 5.162 1.493 13.536 159 HE2 LYS 51 1HE LYS 51 7.342 0.755 14.449 160 HE3 LYS 51 2HE LYS 51 7.908 2.426 14.452 161 HZ1 LYS 51 1HZ LYS 51 7.117 1.759 16.600 162 HZ2 LYS 51 2HZ LYS 51 6.154 2.958 16.000 163 HZ3 LYS 51 3HZ LYS 51 5.626 1.395 15.998 164 H SER 52 H SER 52 8.651 1.313 9.483 165 HA SER 52 HA SER 52 9.576 -0.826 9.748 166 HB2 SER 52 1HB SER 52 8.291 -2.702 10.150 167 HB3 SER 52 2HB SER 52 7.194 -1.432 10.668 168 HG SER 52 HG SER 52 5.952 -1.805 9.060 169 H ALA 53 H ALA 53 7.822 0.459 7.155 170 HA ALA 53 HA ALA 53 8.529 -1.448 5.127 171 HB1 ALA 53 1HB ALA 53 8.098 0.410 3.552 172 HB2 ALA 53 2HB ALA 53 6.807 0.263 4.767 173 HB3 ALA 53 3HB ALA 53 8.031 1.545 4.921 174 H ASP 54 H ASP 54 10.184 -1.436 3.607 175 HA ASP 54 HA ASP 54 12.742 -0.536 4.673 176 HB2 ASP 54 1HB ASP 54 12.484 -2.707 3.479 177 HB3 ASP 54 2HB ASP 54 12.069 -1.842 2.004 178 H LEU 55 H LEU 55 12.482 1.735 4.714 179 HA LEU 55 HA LEU 55 11.668 3.320 2.528 180 HB2 LEU 55 1HB LEU 55 11.923 4.140 4.851 181 HB3 LEU 55 2HB LEU 55 13.678 3.995 4.708 182 HG LEU 55 HG LEU 55 13.671 5.736 2.946 183 HD11 LEU 55 1HD1 LEU 55 11.614 7.006 2.518 184 HD12 LEU 55 2HD1 LEU 55 11.445 5.300 2.040 185 HD13 LEU 55 3HD1 LEU 55 10.704 5.879 3.551 186 HD21 LEU 55 1HD2 LEU 55 13.101 7.615 4.447 187 HD22 LEU 55 2HD2 LEU 55 12.211 6.498 5.509 188 HD23 LEU 55 3HD2 LEU 55 13.974 6.336 5.325 189 H GLN 56 H GLN 56 14.794 1.883 3.282 190 HA GLN 56 HA GLN 56 16.363 3.518 1.540 191 HB2 GLN 56 1HB GLN 56 17.263 2.055 3.381 192 HB3 GLN 56 2HB GLN 56 16.898 0.646 2.396 193 HG2 GLN 56 1HG GLN 56 19.226 1.168 2.199 194 HG3 GLN 56 2HG GLN 56 18.426 1.518 0.641 195 HE21 GLN 56 1HE2 GLN 56 19.750 4.709 0.515 196 HE22 GLN 56 2HE2 GLN 56 19.264 3.254 -0.291 197 H SER 57 H SER 57 14.739 0.385 1.054 198 HA SER 57 HA SER 57 15.538 0.074 -1.680 199 HB2 SER 57 1HB SER 57 13.180 -0.968 -0.092 200 HB3 SER 57 2HB SER 57 13.454 -1.397 -1.773 201 HG SER 57 HG SER 57 14.782 -2.131 0.500 202 H VAL 58 H VAL 58 12.770 1.673 -0.130 203 HA VAL 58 HA VAL 58 11.358 2.345 -2.502 204 HB VAL 58 HB VAL 58 11.550 3.763 0.187 205 HG11 VAL 58 1HG1 VAL 58 9.517 4.963 -0.460 206 HG12 VAL 58 2HG1 VAL 58 10.893 5.366 -1.516 207 HG13 VAL 58 3HG1 VAL 58 9.622 4.260 -2.090 208 HG21 VAL 58 1HG2 VAL 58 9.343 2.704 0.553 209 HG22 VAL 58 2HG2 VAL 58 9.451 1.932 -1.045 210 HG23 VAL 58 3HG2 VAL 58 10.599 1.484 0.239 211 H ILE 59 H ILE 59 13.887 4.102 -0.695 212 HA ILE 59 HA ILE 59 13.922 6.432 -2.309 213 HB ILE 59 HB ILE 59 16.072 5.077 -0.644 214 HG12 ILE 59 1HG1 ILE 59 14.603 7.678 -0.191 215 HG13 ILE 59 2HG1 ILE 59 14.038 6.135 0.427 216 HG21 ILE 59 1HG2 ILE 59 17.402 7.130 -0.912 217 HG22 ILE 59 2HG2 ILE 59 17.170 6.313 -2.474 218 HG23 ILE 59 3HG2 ILE 59 16.210 7.755 -2.074 219 HD11 ILE 59 1HD1 ILE 59 15.270 7.359 2.126 220 HD12 ILE 59 2HD1 ILE 59 16.126 5.860 1.692 221 HD13 ILE 59 3HD1 ILE 59 16.698 7.425 1.068 222 H SER 60 H SER 60 15.694 3.360 -2.626 223 HA SER 60 HA SER 60 17.304 4.091 -4.839 224 HB2 SER 60 1HB SER 60 16.116 1.403 -4.075 225 HB3 SER 60 2HB SER 60 17.350 1.625 -5.306 226 HG SER 60 HG SER 60 17.480 2.124 -2.554 227 H VAL 61 H VAL 61 14.039 2.651 -4.727 228 HA VAL 61 HA VAL 61 13.690 2.478 -7.554 229 HB VAL 61 HB VAL 61 11.678 2.775 -5.287 230 HG11 VAL 61 1HG1 VAL 61 9.981 2.022 -6.883 231 HG12 VAL 61 2HG1 VAL 61 10.686 3.590 -7.347 232 HG13 VAL 61 3HG1 VAL 61 11.181 2.104 -8.194 233 HG21 VAL 61 1HG2 VAL 61 11.356 0.351 -5.669 234 HG22 VAL 61 2HG2 VAL 61 12.602 0.388 -6.939 235 HG23 VAL 61 3HG2 VAL 61 13.045 0.717 -5.247 236 H LEU 62 H LEU 62 12.830 5.016 -5.193 237 HA LEU 62 HA LEU 62 11.535 6.744 -7.051 238 HB2 LEU 62 1HB LEU 62 13.001 7.336 -4.458 239 HB3 LEU 62 2HB LEU 62 12.047 8.527 -5.347 240 HG LEU 62 HG LEU 62 10.927 5.951 -4.192 241 HD11 LEU 62 1HD1 LEU 62 9.962 7.400 -2.463 242 HD12 LEU 62 2HD1 LEU 62 11.741 7.434 -2.431 243 HD13 LEU 62 3HD1 LEU 62 10.836 8.793 -3.142 244 HD21 LEU 62 1HD2 LEU 62 8.762 7.056 -4.640 245 HD22 LEU 62 2HD2 LEU 62 9.620 8.446 -5.351 246 HD23 LEU 62 3HD2 LEU 62 9.700 6.853 -6.140 247 H THR 63 H THR 63 14.926 6.456 -6.035 248 HA THR 63 HA THR 63 15.855 8.814 -7.352 249 HB THR 63 HB THR 63 17.364 6.249 -6.684 250 HG1 THR 63 HG1 THR 63 16.508 7.264 -4.843 251 HG21 THR 63 1HG2 THR 63 19.369 7.675 -6.800 252 HG22 THR 63 2HG2 THR 63 18.531 7.629 -8.370 253 HG23 THR 63 3HG2 THR 63 18.367 9.051 -7.314 254 H ALA 64 H ALA 64 15.697 5.411 -8.407 255 HA ALA 64 HA ALA 64 17.021 5.739 -10.876 256 HB1 ALA 64 1HB ALA 64 15.827 3.689 -11.576 257 HB2 ALA 64 2HB ALA 64 16.480 3.542 -9.927 258 HB3 ALA 64 3HB ALA 64 14.745 3.849 -10.175 259 H LYS 65 H LYS 65 13.499 5.828 -10.227 260 HA LYS 65 HA LYS 65 12.945 6.514 -13.003 261 HB2 LYS 65 1HB LYS 65 11.185 6.362 -10.528 262 HB3 LYS 65 2HB LYS 65 10.576 6.772 -12.124 263 HG2 LYS 65 1HG LYS 65 11.905 4.162 -11.337 264 HG3 LYS 65 2HG LYS 65 10.179 4.426 -11.624 265 HD2 LYS 65 1HD LYS 65 10.592 4.944 -13.965 266 HD3 LYS 65 2HD LYS 65 12.343 4.881 -13.710 267 HE2 LYS 65 1HE LYS 65 12.105 2.472 -13.041 268 HE3 LYS 65 2HE LYS 65 10.390 2.565 -13.460 269 HZ1 LYS 65 1HZ LYS 65 11.691 1.679 -15.253 270 HZ2 LYS 65 2HZ LYS 65 11.028 3.122 -15.704 271 HZ3 LYS 65 3HZ LYS 65 12.628 3.034 -15.315 272 H GLY 66 H GLY 66 13.304 8.247 -9.972 273 HA2 GLY 66 1HA GLY 66 12.112 10.722 -10.747 274 HA3 GLY 66 2HA GLY 66 13.333 10.518 -9.506 275 H LYS 67 H LYS 67 15.207 9.233 -11.474 276 HA LYS 67 HA LYS 67 16.206 11.778 -12.641 277 HB2 LYS 67 1HB LYS 67 17.710 10.498 -11.115 278 HB3 LYS 67 2HB LYS 67 17.642 9.126 -12.211 279 HG2 LYS 67 1HG LYS 67 18.800 10.338 -13.933 280 HG3 LYS 67 2HG LYS 67 18.676 11.852 -13.028 281 HD2 LYS 67 1HD LYS 67 20.087 10.909 -11.235 282 HD3 LYS 67 2HD LYS 67 20.201 9.382 -12.123 283 HE2 LYS 67 1HE LYS 67 21.349 10.491 -13.970 284 HE3 LYS 67 2HE LYS 67 21.137 12.067 -13.201 285 HZ1 LYS 67 1HZ LYS 67 23.323 11.188 -12.825 286 HZ2 LYS 67 2HZ LYS 67 22.515 11.304 -11.391 287 HZ3 LYS 67 3HZ LYS 67 22.715 9.833 -12.109 288 H GLU 68 H GLU 68 15.291 8.475 -13.485 289 HA GLU 68 HA GLU 68 16.223 8.385 -16.133 290 HB2 GLU 68 1HB GLU 68 15.216 6.454 -14.957 291 HB3 GLU 68 2HB GLU 68 13.641 7.235 -14.998 292 HG2 GLU 68 1HG GLU 68 13.688 7.158 -17.472 293 HG3 GLU 68 2HG GLU 68 15.241 6.330 -17.402 294 H ALA 69 H ALA 69 13.104 9.631 -14.910 295 HA ALA 69 HA ALA 69 12.813 11.055 -17.517 296 HB1 ALA 69 1HB ALA 69 10.391 11.149 -17.021 297 HB2 ALA 69 2HB ALA 69 10.986 9.473 -17.086 298 HB3 ALA 69 3HB ALA 69 10.674 10.245 -15.515 299 H GLY 70 H GLY 70 11.218 11.620 -14.391 300 HA2 GLY 70 1HA GLY 70 11.336 13.416 -12.922 301 HA3 GLY 70 2HA GLY 70 12.892 13.828 -13.619 302 HA PRO 71 HA PRO 71 9.839 16.965 -15.117 303 HB2 PRO 71 1HB PRO 71 10.599 19.144 -13.695 304 HB3 PRO 71 2HB PRO 71 9.511 17.942 -12.990 305 HG2 PRO 71 1HG PRO 71 12.520 18.245 -12.619 306 HG3 PRO 71 2HG PRO 71 11.282 18.008 -11.381 307 HD2 PRO 71 1HD PRO 71 12.771 15.930 -12.428 308 HD3 PRO 71 2HD PRO 71 11.088 15.717 -11.801 309 H GLN 72 H GLN 72 10.849 19.504 -15.570 310 HA GLN 72 HA GLN 72 12.800 19.173 -17.608 311 HB2 GLN 72 1HB GLN 72 11.928 21.627 -16.037 312 HB3 GLN 72 2HB GLN 72 13.047 21.701 -17.391 313 HG2 GLN 72 1HG GLN 72 11.349 20.805 -18.891 314 HG3 GLN 72 2HG GLN 72 10.211 20.655 -17.522 315 HE21 GLN 72 1HE2 GLN 72 9.666 23.829 -19.517 316 HE22 GLN 72 2HE2 GLN 72 9.864 22.172 -19.981 317 H GLY 73 H GLY 73 13.102 19.843 -14.164 318 HA2 GLY 73 1HA GLY 73 16.082 19.818 -14.491 319 HA3 GLY 73 2HA GLY 73 15.239 20.596 -13.164 320 H ARG 74 H ARG 74 15.986 19.485 -11.427 321 HA ARG 74 HA ARG 74 16.120 16.558 -11.451 322 HB2 ARG 74 1HB ARG 74 16.945 16.774 -9.179 323 HB3 ARG 74 2HB ARG 74 17.788 17.911 -10.220 324 HG2 ARG 74 1HG ARG 74 16.445 19.753 -9.371 325 HG3 ARG 74 2HG ARG 74 15.491 18.624 -8.379 326 HD2 ARG 74 1HD ARG 74 17.498 18.005 -7.158 327 HD3 ARG 74 2HD ARG 74 18.447 19.140 -8.146 328 HE ARG 74 HE ARG 74 16.448 20.697 -7.116 329 HH11 ARG 74 1HH1 ARG 74 18.833 18.529 -5.716 330 HH12 ARG 74 2HH1 ARG 74 18.947 19.421 -4.217 331 HH21 ARG 74 1HH2 ARG 74 16.606 21.846 -5.165 332 HH22 ARG 74 2HH2 ARG 74 17.688 21.300 -3.902 333 H ASN 75 H ASN 75 14.855 15.138 -10.293 334 HA ASN 75 HA ASN 75 12.215 16.168 -9.445 335 HB2 ASN 75 1HB ASN 75 12.463 14.104 -10.876 336 HB3 ASN 75 2HB ASN 75 13.216 13.305 -9.502 337 HD21 ASN 75 1HD2 ASN 75 9.450 12.783 -9.760 338 HD22 ASN 75 2HD2 ASN 75 10.679 12.811 -10.977 339 H LYS 76 H LYS 76 11.824 16.780 -7.471 340 HA LYS 76 HA LYS 76 13.436 15.580 -5.269 341 HB2 LYS 76 1HB LYS 76 11.735 18.104 -5.350 342 HB3 LYS 76 2HB LYS 76 12.538 17.494 -3.910 343 HG2 LYS 76 1HG LYS 76 14.695 17.933 -4.790 344 HG3 LYS 76 2HG LYS 76 14.070 18.155 -6.430 345 HD2 LYS 76 1HD LYS 76 13.218 19.941 -4.133 346 HD3 LYS 76 2HD LYS 76 14.666 20.273 -5.094 347 HE2 LYS 76 1HE LYS 76 13.283 20.301 -7.154 348 HE3 LYS 76 2HE LYS 76 11.839 19.999 -6.182 349 HZ1 LYS 76 1HZ LYS 76 12.104 22.318 -6.670 350 HZ2 LYS 76 2HZ LYS 76 12.242 22.072 -5.046 351 HZ3 LYS 76 3HZ LYS 76 13.588 22.356 -5.953 352 H PHE 77 H PHE 77 12.584 14.084 -4.034 353 HA PHE 77 HA PHE 77 9.614 13.878 -3.901 354 HB2 PHE 77 1HB PHE 77 11.855 11.911 -3.357 355 HB3 PHE 77 2HB PHE 77 10.227 11.628 -2.764 356 HD1 PHE 77 HD1 PHE 77 12.444 11.339 -5.540 357 HD2 PHE 77 HD2 PHE 77 8.316 11.621 -4.477 358 HE1 PHE 77 HE1 PHE 77 11.817 10.372 -7.728 359 HE2 PHE 77 HE2 PHE 77 7.684 10.652 -6.662 360 HZ PHE 77 HZ PHE 77 9.437 10.028 -8.289 361 H ILE 78 H ILE 78 8.505 13.955 -1.991 362 HA ILE 78 HA ILE 78 10.119 14.498 0.461 363 HB ILE 78 HB ILE 78 7.202 15.117 -0.164 364 HG12 ILE 78 1HG1 ILE 78 9.562 16.944 0.346 365 HG13 ILE 78 2HG1 ILE 78 8.868 16.597 -1.230 366 HG21 ILE 78 1HG2 ILE 78 7.155 16.179 2.057 367 HG22 ILE 78 2HG2 ILE 78 7.479 14.434 2.188 368 HG23 ILE 78 3HG2 ILE 78 8.809 15.603 2.371 369 HD11 ILE 78 1HD1 ILE 78 8.076 18.729 -0.373 370 HD12 ILE 78 2HD1 ILE 78 6.729 17.573 -0.519 371 HD13 ILE 78 3HD1 ILE 78 7.432 17.927 1.078 372 H LEU 79 H LEU 79 10.314 12.946 1.909 373 HA LEU 79 HA LEU 79 8.678 10.507 1.471 374 HB2 LEU 79 1HB LEU 79 11.205 10.807 3.122 375 HB3 LEU 79 2HB LEU 79 10.447 9.306 2.587 376 HG LEU 79 HG LEU 79 11.812 11.350 0.801 377 HD11 LEU 79 1HD1 LEU 79 13.479 9.574 0.506 378 HD12 LEU 79 2HD1 LEU 79 13.356 10.083 2.205 379 HD13 LEU 79 3HD1 LEU 79 12.607 8.559 1.678 380 HD21 LEU 79 1HD2 LEU 79 11.450 9.663 -0.969 381 HD22 LEU 79 2HD2 LEU 79 10.548 8.649 0.182 382 HD23 LEU 79 3HD2 LEU 79 9.902 10.234 -0.303 383 H LEU 80 H LEU 80 6.973 10.250 2.723 384 HA LEU 80 HA LEU 80 6.961 11.615 5.365 385 HB2 LEU 80 1HB LEU 80 4.671 10.486 3.716 386 HB3 LEU 80 2HB LEU 80 4.507 11.357 5.244 387 HG LEU 80 HG LEU 80 5.598 12.539 2.665 388 HD11 LEU 80 1HD1 LEU 80 3.467 13.756 2.608 389 HD12 LEU 80 2HD1 LEU 80 3.222 11.997 2.511 390 HD13 LEU 80 3HD1 LEU 80 2.914 12.856 4.039 391 HD21 LEU 80 1HD2 LEU 80 5.413 14.671 3.903 392 HD22 LEU 80 2HD2 LEU 80 4.886 13.783 5.354 393 HD23 LEU 80 3HD2 LEU 80 6.533 13.552 4.718 394 H SER 81 H SER 81 6.608 10.582 7.255 395 HA SER 81 HA SER 81 6.890 7.634 7.157 396 HB2 SER 81 1HB SER 81 8.467 8.805 8.570 397 HB3 SER 81 2HB SER 81 7.172 9.660 9.395 398 HG SER 81 HG SER 81 6.506 7.218 9.622 399 H GLY 82 H GLY 82 5.206 6.355 7.340 400 HA2 GLY 82 1HA GLY 82 3.227 5.512 8.325 401 HA3 GLY 82 2HA GLY 82 3.003 7.028 9.181 402 H ASP 83 H ASP 83 0.805 5.989 8.080 403 HA ASP 83 HA ASP 83 0.391 7.026 5.370 404 HB2 ASP 83 1HB ASP 83 -0.696 4.918 6.187 405 HB3 ASP 83 2HB ASP 83 -1.618 5.868 7.343 406 H THR 84 H THR 84 0.071 9.096 4.991 407 HA THR 84 HA THR 84 -0.943 10.777 7.225 408 HB THR 84 HB THR 84 0.027 12.683 5.985 409 HG1 THR 84 HG1 THR 84 0.001 10.888 3.961 410 HG21 THR 84 1HG2 THR 84 2.400 12.051 6.178 411 HG22 THR 84 2HG2 THR 84 1.461 11.425 7.554 412 HG23 THR 84 3HG2 THR 84 1.943 10.334 6.234 413 H SER 85 H SER 85 -2.297 9.136 4.828 414 HA SER 85 HA SER 85 -3.850 11.185 3.492 415 HB2 SER 85 1HB SER 85 -3.448 9.039 2.421 416 HB3 SER 85 2HB SER 85 -4.223 8.185 3.745 417 HG SER 85 HG SER 85 -5.876 8.385 2.535 418 H ALA 569 1H ALA 569 8.710 25.277 6.184 419 HA ALA 569 HA ALA 569 10.830 25.132 7.214 420 HB1 ALA 569 1HB ALA 569 11.722 23.313 5.794 421 HB2 ALA 569 2HB ALA 569 9.957 23.192 5.990 422 HB3 ALA 569 3HB ALA 569 10.641 23.825 4.476 423 H GLN 570 H GLN 570 13.083 25.312 7.089 424 HA GLN 570 HA GLN 570 14.110 27.582 5.718 425 HB2 GLN 570 1HB GLN 570 15.126 26.538 7.758 426 HB3 GLN 570 2HB GLN 570 15.651 25.178 6.776 427 HG2 GLN 570 1HG GLN 570 17.026 26.706 5.411 428 HG3 GLN 570 2HG GLN 570 16.525 28.057 6.466 429 HE21 GLN 570 1HE2 GLN 570 19.365 27.510 8.393 430 HE22 GLN 570 2HE2 GLN 570 18.425 28.589 7.418 431 H ALA 571 H ALA 571 14.544 27.904 3.670 432 HA ALA 571 HA ALA 571 14.914 27.495 1.442 433 HB1 ALA 571 1HB ALA 571 16.585 25.765 0.869 434 HB2 ALA 571 2HB ALA 571 17.115 26.765 2.243 435 HB3 ALA 571 3HB ALA 571 16.483 25.128 2.526 436 H GLY 572 H GLY 572 12.602 26.239 2.856 437 HA2 GLY 572 1HA GLY 572 10.780 24.965 2.198 438 HA3 GLY 572 2HA GLY 572 11.374 25.178 0.563 439 H ALA 573 H ALA 573 11.382 23.254 -0.418 440 HA ALA 573 HA ALA 573 12.608 20.967 1.061 441 HB1 ALA 573 1HB ALA 573 11.285 19.484 -0.412 442 HB2 ALA 573 2HB ALA 573 10.243 20.567 0.541 443 HB3 ALA 573 3HB ALA 573 10.551 20.913 -1.176 444 H ALA 574 H ALA 574 13.932 23.098 -0.504 445 HA ALA 574 HA ALA 574 14.947 21.503 -2.801 446 HB1 ALA 574 1HB ALA 574 15.899 23.641 -3.604 447 HB2 ALA 574 2HB ALA 574 14.141 23.755 -3.354 448 HB3 ALA 574 3HB ALA 574 15.255 24.459 -2.161 449 H ASN 575 H ASN 575 15.977 23.276 0.093 450 HA ASN 575 HA ASN 575 18.465 21.658 0.073 451 HB2 ASN 575 1HB ASN 575 18.337 24.681 0.253 452 HB3 ASN 575 2HB ASN 575 19.724 23.748 0.797 453 HD21 ASN 575 1HD2 ASN 575 19.191 24.584 -3.098 454 HD22 ASN 575 2HD2 ASN 575 18.151 25.177 -1.848 455 H ARG 576 H ARG 576 19.718 22.065 2.182 456 HA ARG 576 HA ARG 576 19.735 21.763 4.464 457 HB2 ARG 576 1HB ARG 576 17.386 23.690 4.380 458 HB3 ARG 576 2HB ARG 576 18.327 23.281 5.807 459 HG2 ARG 576 1HG ARG 576 19.534 24.568 3.351 460 HG3 ARG 576 2HG ARG 576 18.881 25.479 4.733 461 HD2 ARG 576 1HD ARG 576 21.066 23.416 4.878 462 HD3 ARG 576 2HD ARG 576 21.301 25.178 4.846 463 HE ARG 576 HE ARG 576 19.552 24.714 6.938 464 HH11 ARG 576 1HH1 ARG 576 22.793 23.671 6.069 465 HH12 ARG 576 2HH1 ARG 576 23.315 23.494 7.729 466 HH21 ARG 576 1HH2 ARG 576 20.244 24.481 9.088 467 HH22 ARG 576 2HH2 ARG 576 21.874 23.953 9.439 468 H SER 577 H SER 577 17.357 22.013 6.214 469 HA SER 577 HA SER 577 16.473 19.216 5.812 470 HB2 SER 577 1HB SER 577 15.813 19.278 8.132 471 HB3 SER 577 2HB SER 577 17.441 19.924 7.992 472 HG SER 577 HG SER 577 15.267 21.058 8.954 473 H LEU 578 H LEU 578 14.212 18.669 6.439 474 HA LEU 578 HA LEU 578 12.311 20.837 5.667 475 HB2 LEU 578 1HB LEU 578 12.582 19.368 3.744 476 HB3 LEU 578 2HB LEU 578 12.305 17.940 4.747 477 HG LEU 578 HG LEU 578 9.962 18.749 5.153 478 HD11 LEU 578 1HD1 LEU 578 9.088 20.522 3.698 479 HD12 LEU 578 2HD1 LEU 578 10.363 21.129 4.781 480 HD13 LEU 578 3HD1 LEU 578 10.727 20.813 3.068 481 HD21 LEU 578 1HD2 LEU 578 9.171 18.146 2.891 482 HD22 LEU 578 2HD2 LEU 578 10.811 18.403 2.248 483 HD23 LEU 578 3HD2 LEU 578 10.506 17.087 3.406 484 H THR 579 H THR 579 10.536 21.044 6.895 485 HA THR 579 HA THR 579 10.685 19.800 9.492 486 HB THR 579 HB THR 579 8.646 21.122 10.002 487 HG1 THR 579 HG1 THR 579 7.446 21.173 8.191 488 HG21 THR 579 1HG2 THR 579 9.594 23.355 9.571 489 HG22 THR 579 2HG2 THR 579 10.857 22.218 10.095 490 HG23 THR 579 3HG2 THR 579 10.711 22.654 8.377 491 H GLU 580 H GLU 580 8.937 19.104 6.569 492 HA GLU 580 HA GLU 580 7.461 16.959 8.035 493 HB2 GLU 580 1HB GLU 580 5.938 18.836 7.405 494 HB3 GLU 580 2HB GLU 580 6.398 18.631 5.722 495 HG2 GLU 580 1HG GLU 580 5.441 16.389 5.697 496 HG3 GLU 580 2HG GLU 580 5.050 16.513 7.411 497 H GLY 581 H GLY 581 8.670 15.236 7.500 498 HA2 GLY 581 1HA GLY 581 9.133 13.418 6.067 499 HA3 GLY 581 2HA GLY 581 8.602 14.366 4.690 500 H PHE 582 H PHE 582 10.800 12.955 4.263 501 HA PHE 582 HA PHE 582 13.121 14.759 4.721 502 HB2 PHE 582 1HB PHE 582 13.028 11.923 3.615 503 HB3 PHE 582 2HB PHE 582 14.486 12.854 3.925 504 HD1 PHE 582 HD1 PHE 582 13.231 14.103 6.554 505 HD2 PHE 582 HD2 PHE 582 13.761 10.131 5.073 506 HE1 PHE 582 HE1 PHE 582 13.286 13.248 8.872 507 HE2 PHE 582 HE2 PHE 582 13.815 9.272 7.390 508 HZ PHE 582 HZ PHE 582 13.579 10.832 9.290 509 H VAL 583 H VAL 583 14.539 15.295 2.983 510 HA VAL 583 HA VAL 583 13.059 15.597 0.417 511 HB VAL 583 HB VAL 583 15.530 17.048 1.461 512 HG11 VAL 583 1HG1 VAL 583 15.210 18.546 -0.447 513 HG12 VAL 583 2HG1 VAL 583 15.551 16.876 -0.961 514 HG13 VAL 583 3HG1 VAL 583 13.889 17.511 -1.037 515 HG21 VAL 583 1HG2 VAL 583 13.990 18.973 1.671 516 HG22 VAL 583 2HG2 VAL 583 12.634 17.943 1.149 517 HG23 VAL 583 3HG2 VAL 583 13.462 17.611 2.690 518 H LEU 584 H LEU 584 13.519 14.228 -1.150 519 HA LEU 584 HA LEU 584 16.209 12.941 -1.154 520 HB2 LEU 584 1HB LEU 584 14.395 11.348 -0.959 521 HB3 LEU 584 2HB LEU 584 13.545 12.072 -2.329 522 HG LEU 584 HG LEU 584 15.382 11.312 -3.832 523 HD11 LEU 584 1HD1 LEU 584 17.030 9.713 -2.967 524 HD12 LEU 584 2HD1 LEU 584 17.187 11.304 -2.187 525 HD13 LEU 584 3HD1 LEU 584 16.406 9.961 -1.319 526 HD21 LEU 584 1HD2 LEU 584 14.774 8.919 -3.730 527 HD22 LEU 584 2HD2 LEU 584 14.118 9.155 -2.093 528 HD23 LEU 584 3HD2 LEU 584 13.346 9.952 -3.485 529 H ASP 585 H ASP 585 17.601 13.836 -2.498 530 HA ASP 585 HA ASP 585 16.649 15.076 -5.004 531 HB2 ASP 585 1HB ASP 585 18.386 16.234 -3.678 532 HB3 ASP 585 2HB ASP 585 19.446 14.838 -3.821 533 H THR 586 H THR 586 16.183 13.724 -6.603 534 HA THR 586 HA THR 586 17.370 11.061 -6.662 535 HB THR 586 HB THR 586 15.892 10.688 -8.614 536 HG1 THR 586 HG1 THR 586 14.994 13.367 -8.281 537 HG21 THR 586 1HG2 THR 586 13.737 11.066 -7.480 538 HG22 THR 586 2HG2 THR 586 14.960 10.462 -6.337 539 HG23 THR 586 3HG2 THR 586 14.525 12.186 -6.346 540 H MET 587 H MET 19 18.287 14.074 -7.864 541 HA MET 587 HA MET 19 19.507 13.010 -10.331 542 HB2 MET 587 1HB MET 19 18.381 15.259 -10.260 543 HB3 MET 587 2HB MET 19 19.627 15.813 -9.152 544 HG2 MET 587 1HG MET 19 20.117 16.567 -11.395 545 HG3 MET 587 2HG MET 19 21.343 15.405 -10.883 546 HE1 MET 587 1HE MET 19 17.948 14.503 -13.895 547 HE2 MET 587 2HE MET 19 17.639 14.794 -12.165 548 HE3 MET 587 3HE MET 19 18.269 16.106 -13.191 549 H ASN 588 H ASN 588 20.502 14.340 -7.191 550 HA ASN 588 HA ASN 588 23.317 13.632 -7.871 551 HB2 ASN 588 1HB ASN 588 22.163 15.448 -5.730 552 HB3 ASN 588 2HB ASN 588 23.867 15.030 -5.852 553 HD21 ASN 588 1HD2 ASN 588 22.278 17.926 -8.142 554 HD22 ASN 588 2HD2 ASN 588 21.386 17.080 -6.921 555 H ASP 589 H ASP 589 20.790 12.100 -6.654 556 HA ASP 589 HA ASP 589 20.505 10.350 -5.178 557 HB2 ASP 589 1HB ASP 589 22.425 9.563 -6.714 558 HB3 ASP 589 2HB ASP 589 23.506 9.946 -5.381 559 H SER 590 H SER 590 20.327 12.477 -3.725 560 HA SER 590 HA SER 590 22.027 11.957 -1.341 561 HB2 SER 590 1HB SER 590 23.071 13.824 -2.519 562 HB3 SER 590 2HB SER 590 21.532 14.666 -2.616 563 HG SER 590 HG SER 590 22.302 13.832 -0.117 564 H LEU 591 H LEU 591 20.891 11.783 0.453 565 HA LEU 591 HA LEU 591 18.104 12.843 0.446 566 HB2 LEU 591 1HB LEU 591 18.358 10.419 0.841 567 HB3 LEU 591 2HB LEU 591 19.414 10.748 2.217 568 HG LEU 591 HG LEU 591 17.436 11.964 3.282 569 HD11 LEU 591 1HD1 LEU 591 15.217 11.368 2.420 570 HD12 LEU 591 2HD1 LEU 591 16.151 12.311 1.235 571 HD13 LEU 591 3HD1 LEU 591 15.974 10.552 1.032 572 HD21 LEU 591 1HD2 LEU 591 16.411 9.834 4.006 573 HD22 LEU 591 2HD2 LEU 591 17.186 8.995 2.641 574 HD23 LEU 591 3HD2 LEU 591 18.186 9.699 3.935 575 H SER 592 H SER 592 17.524 14.461 1.726 576 HA SER 592 HA SER 592 19.322 15.120 4.024 577 HB2 SER 592 1HB SER 592 19.378 16.871 2.312 578 HB3 SER 592 2HB SER 592 17.624 16.973 2.321 579 HG SER 592 HG SER 592 18.124 18.480 3.677 580 H LYS 593 H LYS 593 18.453 15.375 6.003 581 HA LYS 593 HA LYS 593 15.559 14.667 6.207 582 HB2 LYS 593 1HB LYS 593 17.835 14.230 8.182 583 HB3 LYS 593 2HB LYS 593 16.149 13.838 8.491 584 HG2 LYS 593 1HG LYS 593 16.196 12.235 6.590 585 HG3 LYS 593 2HG LYS 593 17.912 12.597 6.362 586 HD2 LYS 593 1HD LYS 593 18.381 11.830 8.669 587 HD3 LYS 593 2HD LYS 593 16.664 11.466 8.895 588 HE2 LYS 593 1HE LYS 593 16.759 9.819 7.062 589 HE3 LYS 593 2HE LYS 593 18.462 10.196 6.796 590 HZ1 LYS 593 1HZ LYS 593 18.189 8.238 8.131 591 HZ2 LYS 593 2HZ LYS 593 18.921 9.418 9.020 592 HZ3 LYS 593 3HZ LYS 593 17.329 9.065 9.268
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