NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
471218 | 2kz5 | 16998 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 8.195 -59.941 20.413 2 H2 MET 1 2H MET 1 6.852 -58.953 20.122 3 H3 MET 1 3H MET 1 7.498 -59.069 21.680 4 HA MET 1 HA MET 1 9.573 -58.084 20.899 5 HB2 MET 1 2HB MET 1 8.013 -57.977 18.333 6 HB3 MET 1 3HB MET 1 9.295 -56.815 18.644 7 HG2 MET 1 2HG MET 1 9.610 -59.812 18.612 8 HG3 MET 1 3HG MET 1 10.092 -58.702 17.328 9 HE1 MET 1 3HE MET 1 12.101 -60.818 18.568 10 HE2 MET 1 1HE MET 1 13.549 -59.836 18.785 11 HE3 MET 1 2HE MET 1 12.575 -59.660 17.325 12 H GLY 2 H GLY 2 9.609 -55.574 20.099 13 HA2 GLY 2 2HA GLY 2 8.458 -54.311 22.333 14 HA3 GLY 2 3HA GLY 2 9.288 -53.512 21.018 15 H HIS 3 H HIS 3 6.141 -54.652 22.150 16 HA HIS 3 HA HIS 3 4.703 -53.015 20.238 17 HB2 HIS 3 2HB HIS 3 3.728 -54.336 22.797 18 HB3 HIS 3 3HB HIS 3 2.702 -53.589 21.576 19 HD1 HIS 3 HD1 HIS 3 4.397 -56.736 22.433 20 HD2 HIS 3 HD2 HIS 3 2.608 -55.038 19.087 21 HE1 HIS 3 HE1 HIS 3 4.015 -58.634 20.836 22 HE2 HIS 3 HE2 HIS 3 3.090 -57.561 18.760 23 H HIS 4 H HIS 4 6.224 -51.174 20.874 24 HA HIS 4 HA HIS 4 6.273 -50.116 23.479 25 HB2 HIS 4 2HB HIS 4 7.970 -49.781 21.624 26 HB3 HIS 4 3HB HIS 4 6.874 -48.583 20.946 27 HD1 HIS 4 HD1 HIS 4 9.174 -49.177 23.849 28 HD2 HIS 4 HD2 HIS 4 6.873 -46.104 22.257 29 HE1 HIS 4 HE1 HIS 4 9.880 -47.107 25.073 30 HE2 HIS 4 HE2 HIS 4 8.639 -45.242 23.939 31 H HIS 5 H HIS 5 4.596 -49.227 24.530 32 HA HIS 5 HA HIS 5 2.387 -47.993 23.237 33 HB2 HIS 5 2HB HIS 5 1.774 -47.209 25.565 34 HB3 HIS 5 3HB HIS 5 1.959 -48.946 25.372 35 HD1 HIS 5 HD1 HIS 5 3.912 -50.076 26.619 36 HD2 HIS 5 HD2 HIS 5 3.649 -45.982 27.270 37 HE1 HIS 5 HE1 HIS 5 5.420 -49.608 28.567 38 HE2 HIS 5 HE2 HIS 5 5.170 -47.146 29.007 39 H HIS 6 H HIS 6 2.619 -46.207 22.073 40 HA HIS 6 HA HIS 6 4.676 -44.275 22.502 41 HB2 HIS 6 2HB HIS 6 3.624 -43.047 20.644 42 HB3 HIS 6 3HB HIS 6 3.836 -44.752 20.264 43 HD1 HIS 6 HD1 HIS 6 1.272 -42.121 20.600 44 HD2 HIS 6 HD2 HIS 6 1.388 -46.252 20.197 45 HE1 HIS 6 HE1 HIS 6 -1.055 -42.797 19.970 46 HE2 HIS 6 HE2 HIS 6 -1.008 -45.309 19.937 47 H HIS 7 H HIS 7 4.381 -41.968 22.889 48 HA HIS 7 HA HIS 7 1.980 -41.266 24.445 49 HB2 HIS 7 2HB HIS 7 3.821 -41.944 25.996 50 HB3 HIS 7 3HB HIS 7 4.816 -40.654 25.332 51 HD1 HIS 7 HD1 HIS 7 2.177 -41.342 27.808 52 HD2 HIS 7 HD2 HIS 7 3.896 -38.003 26.018 53 HE1 HIS 7 HE1 HIS 7 1.476 -39.386 29.212 54 HE2 HIS 7 HE2 HIS 7 2.430 -37.372 28.058 55 H HIS 8 H HIS 8 1.259 -39.203 24.186 56 HA HIS 8 HA HIS 8 2.963 -37.221 22.844 57 HB2 HIS 8 2HB HIS 8 1.683 -38.275 21.046 58 HB3 HIS 8 3HB HIS 8 0.182 -37.994 21.920 59 HD1 HIS 8 HD1 HIS 8 3.005 -35.950 20.376 60 HD2 HIS 8 HD2 HIS 8 -1.046 -35.660 21.261 61 HE1 HIS 8 HE1 HIS 8 2.256 -33.763 19.401 62 HE2 HIS 8 HE2 HIS 8 -0.149 -33.533 20.097 63 H SER 9 H SER 9 2.794 -35.239 23.731 64 HA SER 9 HA SER 9 0.827 -34.803 25.844 65 HB2 SER 9 2HB SER 9 3.095 -33.013 24.917 66 HB3 SER 9 3HB SER 9 2.132 -32.802 26.378 67 HG SER 9 HG SER 9 3.915 -33.852 27.057 68 H HIS 10 H HIS 10 -0.615 -33.026 25.923 69 HA HIS 10 HA HIS 10 -1.389 -32.003 23.269 70 HB2 HIS 10 2HB HIS 10 -2.979 -32.271 25.830 71 HB3 HIS 10 3HB HIS 10 -3.590 -31.499 24.370 72 HD1 HIS 10 HD1 HIS 10 -3.634 -34.652 26.035 73 HD2 HIS 10 HD2 HIS 10 -3.433 -33.445 22.064 74 HE1 HIS 10 HE1 HIS 10 -4.371 -36.634 24.692 75 HE2 HIS 10 HE2 HIS 10 -4.047 -35.945 22.297 76 H MET 11 H MET 11 -1.634 -29.847 22.849 77 HA MET 11 HA MET 11 -0.908 -27.919 24.976 78 HB2 MET 11 2HB MET 11 -0.073 -27.823 22.063 79 HB3 MET 11 3HB MET 11 0.306 -26.606 23.273 80 HG2 MET 11 2HG MET 11 1.653 -28.214 24.502 81 HG3 MET 11 3HG MET 11 1.226 -29.477 23.351 82 HE1 MET 11 3HE MET 11 2.045 -29.512 20.812 83 HE2 MET 11 1HE MET 11 2.989 -28.216 20.079 84 HE3 MET 11 2HE MET 11 1.324 -27.919 20.580 85 H ALA 12 H ALA 12 -1.598 -25.624 24.401 86 HA ALA 12 HA ALA 12 -3.729 -25.325 22.473 87 HB1 ALA 12 3HB ALA 12 -5.491 -24.751 24.062 88 HB2 ALA 12 1HB ALA 12 -4.421 -25.153 25.408 89 HB3 ALA 12 2HB ALA 12 -4.945 -26.411 24.289 90 H LYS 13 H LYS 13 -2.906 -23.514 21.577 91 HA LYS 13 HA LYS 13 -2.262 -21.219 23.319 92 HB2 LYS 13 2HB LYS 13 -1.511 -21.688 20.419 93 HB3 LYS 13 3HB LYS 13 -1.072 -20.276 21.367 94 HG2 LYS 13 2HG LYS 13 0.850 -21.595 21.368 95 HG3 LYS 13 3HG LYS 13 0.114 -21.911 22.939 96 HD2 LYS 13 2HD LYS 13 -0.841 -23.998 22.080 97 HD3 LYS 13 3HD LYS 13 -0.137 -23.673 20.493 98 HE2 LYS 13 2HE LYS 13 1.404 -24.092 23.057 99 HE3 LYS 13 3HE LYS 13 1.202 -25.282 21.773 100 HZ1 LYS 13 3HZ LYS 13 2.423 -23.872 20.276 101 HZ2 LYS 13 1HZ LYS 13 3.343 -24.120 21.671 102 HZ3 LYS 13 2HZ LYS 13 2.540 -22.650 21.436 103 HA PRO 14 HA PRO 14 -6.068 -19.487 21.635 104 HB2 PRO 14 2HB PRO 14 -6.275 -17.380 23.278 105 HB3 PRO 14 3HB PRO 14 -6.514 -19.029 23.868 106 HG2 PRO 14 2HG PRO 14 -4.121 -17.249 24.140 107 HG3 PRO 14 3HG PRO 14 -4.841 -18.354 25.326 108 HD2 PRO 14 2HD PRO 14 -2.625 -18.930 23.742 109 HD3 PRO 14 3HD PRO 14 -3.651 -20.137 24.539 110 H THR 15 H THR 15 -5.877 -18.593 19.627 111 HA THR 15 HA THR 15 -4.015 -16.442 19.093 112 HB THR 15 HB THR 15 -4.857 -16.487 16.792 113 HG1 THR 15 HG1 THR 15 -6.734 -17.337 16.313 114 HG21 THR 15 3HG2 THR 15 -4.382 -19.250 17.930 115 HG22 THR 15 1HG2 THR 15 -3.146 -18.113 17.390 116 HG23 THR 15 2HG2 THR 15 -4.268 -18.818 16.224 117 H ALA 16 H ALA 16 -4.828 -14.860 20.573 118 HA ALA 16 HA ALA 16 -7.505 -13.854 20.380 119 HB1 ALA 16 3HB ALA 16 -6.236 -13.786 22.473 120 HB2 ALA 16 1HB ALA 16 -6.783 -12.179 21.994 121 HB3 ALA 16 2HB ALA 16 -5.099 -12.648 21.751 122 H ARG 17 H ARG 17 -8.062 -12.926 18.455 123 HA ARG 17 HA ARG 17 -6.375 -10.705 17.458 124 HB2 ARG 17 2HB ARG 17 -7.152 -11.181 15.206 125 HB3 ARG 17 3HB ARG 17 -6.451 -12.638 15.900 126 HG2 ARG 17 2HG ARG 17 -8.639 -13.560 16.312 127 HG3 ARG 17 3HG ARG 17 -9.411 -12.058 15.801 128 HD2 ARG 17 2HD ARG 17 -8.428 -12.390 13.538 129 HD3 ARG 17 3HD ARG 17 -7.807 -13.953 14.078 130 HE ARG 17 HE ARG 17 -10.344 -14.321 14.598 131 HH11 ARG 17 1HH1 ARG 17 -9.001 -12.723 11.845 132 HH12 ARG 17 2HH1 ARG 17 -10.308 -13.187 10.810 133 HH21 ARG 17 1HH2 ARG 17 -12.032 -14.867 13.264 134 HH22 ARG 17 2HH2 ARG 17 -12.012 -14.366 11.606 135 H GLY 18 H GLY 18 -7.619 -9.029 16.220 136 HA2 GLY 18 2HA GLY 18 -10.468 -8.805 16.894 137 HA3 GLY 18 3HA GLY 18 -9.400 -7.543 17.498 138 H GLU 19 H GLU 19 -10.413 -9.174 14.501 139 HA GLU 19 HA GLU 19 -9.496 -6.830 12.958 140 HB2 GLU 19 2HB GLU 19 -10.083 -9.622 11.947 141 HB3 GLU 19 3HB GLU 19 -9.337 -8.311 11.043 142 HG2 GLU 19 2HG GLU 19 -7.418 -8.365 12.584 143 HG3 GLU 19 3HG GLU 19 -8.163 -9.719 13.432 144 H ALA 20 H ALA 20 -10.775 -6.089 11.170 145 HA ALA 20 HA ALA 20 -13.664 -6.383 11.560 146 HB1 ALA 20 3HB ALA 20 -12.138 -4.526 9.731 147 HB2 ALA 20 1HB ALA 20 -12.723 -4.123 11.346 148 HB3 ALA 20 2HB ALA 20 -13.871 -4.480 10.056 149 H GLY 21 H GLY 21 -11.181 -7.566 9.529 150 HA2 GLY 21 2HA GLY 21 -11.344 -9.290 7.978 151 HA3 GLY 21 3HA GLY 21 -13.092 -9.140 8.026 152 H SER 22 H SER 22 -10.629 -6.693 7.238 153 HA SER 22 HA SER 22 -12.083 -5.907 4.873 154 HB2 SER 22 2HB SER 22 -11.007 -4.149 6.113 155 HB3 SER 22 3HB SER 22 -9.448 -4.963 6.030 156 HG SER 22 HG SER 22 -9.368 -3.455 4.451 157 H ARG 23 H ARG 23 -11.410 -6.029 2.735 158 HA ARG 23 HA ARG 23 -10.352 -8.403 1.798 159 HB2 ARG 23 2HB ARG 23 -11.695 -6.952 0.405 160 HB3 ARG 23 3HB ARG 23 -10.487 -5.678 0.492 161 HG2 ARG 23 2HG ARG 23 -8.920 -7.372 -0.663 162 HG3 ARG 23 3HG ARG 23 -10.403 -8.249 -1.051 163 HD2 ARG 23 2HD ARG 23 -9.772 -6.758 -2.879 164 HD3 ARG 23 3HD ARG 23 -11.296 -6.242 -2.153 165 HE ARG 23 HE ARG 23 -8.715 -4.964 -1.485 166 HH11 ARG 23 1HH1 ARG 23 -12.044 -4.732 -2.348 167 HH12 ARG 23 2HH1 ARG 23 -12.062 -3.008 -2.245 168 HH21 ARG 23 1HH2 ARG 23 -8.749 -2.779 -1.322 169 HH22 ARG 23 2HH2 ARG 23 -10.206 -1.907 -1.680 170 H ASP 24 H ASP 24 -8.687 -5.244 1.844 171 HA ASP 24 HA ASP 24 -6.295 -6.172 0.708 172 HB2 ASP 24 2HB ASP 24 -6.508 -3.782 2.541 173 HB3 ASP 24 3HB ASP 24 -5.385 -4.030 1.205 174 H GLU 25 H GLU 25 -7.398 -6.243 4.016 175 HA GLU 25 HA GLU 25 -4.976 -6.582 5.381 176 HB2 GLU 25 2HB GLU 25 -7.688 -7.807 5.952 177 HB3 GLU 25 3HB GLU 25 -6.333 -7.845 7.069 178 HG2 GLU 25 2HG GLU 25 -7.669 -5.348 6.041 179 HG3 GLU 25 3HG GLU 25 -7.975 -6.096 7.607 180 H ARG 26 H ARG 26 -7.061 -9.015 3.811 181 HA ARG 26 HA ARG 26 -5.394 -11.236 4.420 182 HB2 ARG 26 2HB ARG 26 -7.671 -10.756 2.548 183 HB3 ARG 26 3HB ARG 26 -6.678 -12.181 2.293 184 HG2 ARG 26 2HG ARG 26 -8.605 -12.777 3.599 185 HG3 ARG 26 3HG ARG 26 -7.166 -12.907 4.605 186 HD2 ARG 26 2HD ARG 26 -8.911 -10.450 4.627 187 HD3 ARG 26 3HD ARG 26 -9.260 -11.849 5.638 188 HE ARG 26 HE ARG 26 -6.755 -10.305 5.819 189 HH11 ARG 26 1HH1 ARG 26 -9.316 -12.077 7.303 190 HH12 ARG 26 2HH1 ARG 26 -8.715 -11.810 8.900 191 HH21 ARG 26 1HH2 ARG 26 -6.022 -9.940 7.881 192 HH22 ARG 26 2HH2 ARG 26 -6.885 -10.593 9.228 193 H ARG 27 H ARG 27 -5.471 -8.976 1.699 194 HA ARG 27 HA ARG 27 -3.586 -10.197 0.019 195 HB2 ARG 27 2HB ARG 27 -4.049 -7.253 0.565 196 HB3 ARG 27 3HB ARG 27 -3.032 -7.862 -0.731 197 HG2 ARG 27 2HG ARG 27 -4.996 -8.955 -1.740 198 HG3 ARG 27 3HG ARG 27 -6.007 -8.289 -0.450 199 HD2 ARG 27 2HD ARG 27 -5.470 -6.028 -1.142 200 HD3 ARG 27 3HD ARG 27 -4.330 -6.627 -2.344 201 HE ARG 27 HE ARG 27 -7.031 -7.559 -2.722 202 HH11 ARG 27 1HH1 ARG 27 -4.757 -5.062 -3.395 203 HH12 ARG 27 2HH1 ARG 27 -5.569 -4.531 -4.820 204 HH21 ARG 27 1HH2 ARG 27 -8.088 -6.872 -4.564 205 HH22 ARG 27 2HH2 ARG 27 -7.449 -5.552 -5.479 206 H ALA 28 H ALA 28 -3.097 -7.893 2.678 207 HA ALA 28 HA ALA 28 -0.328 -7.603 2.488 208 HB1 ALA 28 3HB ALA 28 -1.790 -6.117 3.790 209 HB2 ALA 28 1HB ALA 28 -0.425 -6.700 4.742 210 HB3 ALA 28 2HB ALA 28 -2.027 -7.401 4.976 211 H LEU 29 H LEU 29 -2.161 -9.775 4.674 212 HA LEU 29 HA LEU 29 0.190 -10.885 5.825 213 HB2 LEU 29 2HB LEU 29 -1.354 -12.561 6.827 214 HB3 LEU 29 3HB LEU 29 -1.785 -10.891 7.126 215 HG LEU 29 HG LEU 29 -3.398 -11.215 5.090 216 HD11 LEU 29 1HD1 LEU 29 -4.295 -13.490 4.909 217 HD12 LEU 29 2HD1 LEU 29 -3.019 -14.078 5.976 218 HD13 LEU 29 3HD1 LEU 29 -2.611 -13.407 4.396 219 HD21 LEU 29 3HD2 LEU 29 -3.957 -12.448 7.786 220 HD22 LEU 29 1HD2 LEU 29 -5.170 -11.938 6.609 221 HD23 LEU 29 2HD2 LEU 29 -4.114 -10.742 7.361 222 H ALA 30 H ALA 30 -1.597 -11.720 2.952 223 HA ALA 30 HA ALA 30 -0.475 -14.359 2.680 224 HB1 ALA 30 3HB ALA 30 -1.749 -12.614 0.567 225 HB2 ALA 30 1HB ALA 30 -2.618 -13.718 1.636 226 HB3 ALA 30 2HB ALA 30 -1.462 -14.352 0.464 227 H MET 31 H MET 31 0.151 -11.227 1.073 228 HA MET 31 HA MET 31 2.573 -12.231 -0.170 229 HB2 MET 31 2HB MET 31 1.280 -9.499 -0.130 230 HB3 MET 31 3HB MET 31 2.807 -9.828 -0.942 231 HG2 MET 31 2HG MET 31 0.195 -11.205 -1.555 232 HG3 MET 31 3HG MET 31 0.870 -9.857 -2.470 233 HE1 MET 31 3HE MET 31 3.957 -10.508 -2.435 234 HE2 MET 31 1HE MET 31 3.115 -10.011 -3.902 235 HE3 MET 31 2HE MET 31 4.152 -11.439 -3.920 236 H LYS 32 H LYS 32 1.868 -11.271 2.895 237 HA LYS 32 HA LYS 32 3.156 -10.975 4.729 238 HB2 LYS 32 2HB LYS 32 5.337 -11.776 2.797 239 HB3 LYS 32 3HB LYS 32 5.594 -11.579 4.528 240 HG2 LYS 32 2HG LYS 32 4.154 -13.385 5.052 241 HG3 LYS 32 3HG LYS 32 3.521 -13.455 3.408 242 HD2 LYS 32 2HD LYS 32 6.403 -14.005 4.116 243 HD3 LYS 32 3HD LYS 32 5.172 -15.261 3.993 244 HE2 LYS 32 2HE LYS 32 5.968 -13.375 1.771 245 HE3 LYS 32 3HE LYS 32 6.515 -15.042 1.933 246 HZ1 LYS 32 3HZ LYS 32 3.689 -14.184 1.572 247 HZ2 LYS 32 1HZ LYS 32 4.225 -15.781 1.716 248 HZ3 LYS 32 2HZ LYS 32 4.677 -14.856 0.376 249 H ILE 33 H ILE 33 2.384 -8.683 4.096 250 HA ILE 33 HA ILE 33 4.604 -6.830 3.619 251 HB ILE 33 HB ILE 33 1.647 -6.265 3.967 252 HG12 ILE 33 2HG1 ILE 33 2.099 -7.614 1.959 253 HG13 ILE 33 3HG1 ILE 33 1.600 -5.983 1.521 254 HG21 ILE 33 1HG2 ILE 33 3.893 -4.477 3.024 255 HG22 ILE 33 2HG2 ILE 33 2.983 -4.322 4.527 256 HG23 ILE 33 3HG2 ILE 33 2.179 -4.064 2.980 257 HD11 ILE 33 3HD1 ILE 33 3.923 -5.391 1.068 258 HD12 ILE 33 1HD1 ILE 33 3.418 -6.787 0.116 259 HD13 ILE 33 2HD1 ILE 33 4.434 -7.013 1.539 260 HA PRO 34 HA PRO 34 4.865 -6.380 8.079 261 HB2 PRO 34 2HB PRO 34 7.077 -4.585 7.839 262 HB3 PRO 34 3HB PRO 34 7.117 -6.319 8.155 263 HG2 PRO 34 2HG PRO 34 8.032 -5.077 5.836 264 HG3 PRO 34 3HG PRO 34 7.658 -6.798 6.005 265 HD2 PRO 34 2HD PRO 34 6.015 -4.607 4.800 266 HD3 PRO 34 3HD PRO 34 6.165 -6.311 4.315 267 H PHE 35 H PHE 35 3.384 -4.199 6.276 268 HA PHE 35 HA PHE 35 3.002 -2.392 8.524 269 HB2 PHE 35 2HB PHE 35 3.157 -0.364 7.020 270 HB3 PHE 35 3HB PHE 35 4.683 -1.147 7.392 271 HD1 PHE 35 HD1 PHE 35 5.912 -2.361 5.676 272 HD2 PHE 35 HD2 PHE 35 2.274 -0.342 4.768 273 HE1 PHE 35 HE1 PHE 35 6.452 -2.477 3.284 274 HE2 PHE 35 HE2 PHE 35 2.812 -0.458 2.368 275 HZ PHE 35 HZ PHE 35 4.902 -1.524 1.625 276 HA PRO 36 HA PRO 36 -1.220 -2.797 7.578 277 HB2 PRO 36 2HB PRO 36 -2.238 -0.366 8.335 278 HB3 PRO 36 3HB PRO 36 -1.719 -1.617 9.470 279 HG2 PRO 36 2HG PRO 36 -0.229 0.807 8.511 280 HG3 PRO 36 3HG PRO 36 -0.378 0.162 10.160 281 HD2 PRO 36 2HD PRO 36 1.819 -0.273 8.673 282 HD3 PRO 36 3HD PRO 36 1.189 -1.513 9.778 283 H THR 37 H THR 37 -2.759 -2.506 6.032 284 HA THR 37 HA THR 37 -2.033 -1.361 3.556 285 HB THR 37 HB THR 37 -4.277 -1.945 2.780 286 HG1 THR 37 HG1 THR 37 -5.026 -2.954 5.295 287 HG21 THR 37 3HG2 THR 37 -2.623 -3.741 2.949 288 HG22 THR 37 1HG2 THR 37 -4.241 -4.350 3.300 289 HG23 THR 37 2HG2 THR 37 -3.109 -4.048 4.617 290 H ASP 38 H ASP 38 -4.213 -0.192 6.100 291 HA ASP 38 HA ASP 38 -5.313 1.996 4.756 292 HB2 ASP 38 2HB ASP 38 -5.573 2.978 7.087 293 HB3 ASP 38 3HB ASP 38 -6.257 1.373 6.848 294 H LYS 39 H LYS 39 -2.321 1.815 6.674 295 HA LYS 39 HA LYS 39 -1.486 4.459 6.488 296 HB2 LYS 39 2HB LYS 39 -0.353 2.872 7.927 297 HB3 LYS 39 3HB LYS 39 0.151 1.912 6.542 298 HG2 LYS 39 2HG LYS 39 1.615 3.689 5.791 299 HG3 LYS 39 3HG LYS 39 1.043 4.744 7.084 300 HD2 LYS 39 2HD LYS 39 2.462 2.113 7.538 301 HD3 LYS 39 3HD LYS 39 3.266 3.683 7.519 302 HE2 LYS 39 2HE LYS 39 1.736 4.398 9.369 303 HE3 LYS 39 3HE LYS 39 1.145 2.739 9.448 304 HZ1 LYS 39 3HZ LYS 39 2.876 3.181 11.087 305 HZ2 LYS 39 1HZ LYS 39 3.962 3.573 9.852 306 HZ3 LYS 39 2HZ LYS 39 3.365 1.997 9.985 307 H ILE 40 H ILE 40 -1.029 1.802 4.197 308 HA ILE 40 HA ILE 40 0.613 3.043 2.312 309 HB ILE 40 HB ILE 40 -1.614 1.064 1.766 310 HG12 ILE 40 2HG1 ILE 40 1.302 0.569 2.429 311 HG13 ILE 40 3HG1 ILE 40 -0.060 0.254 3.498 312 HG21 ILE 40 1HG2 ILE 40 -0.765 2.143 -0.267 313 HG22 ILE 40 2HG2 ILE 40 -0.342 0.433 -0.212 314 HG23 ILE 40 3HG2 ILE 40 0.873 1.654 0.164 315 HD11 ILE 40 3HD1 ILE 40 0.468 -1.109 0.864 316 HD12 ILE 40 1HD1 ILE 40 -0.899 -1.424 1.932 317 HD13 ILE 40 2HD1 ILE 40 0.741 -1.791 2.467 318 H VAL 41 H VAL 41 -2.861 3.295 2.789 319 HA VAL 41 HA VAL 41 -3.357 4.682 0.298 320 HB VAL 41 HB VAL 41 -5.172 4.270 2.682 321 HG11 VAL 41 1HG1 VAL 41 -5.781 5.163 -0.139 322 HG12 VAL 41 2HG1 VAL 41 -5.982 6.093 1.350 323 HG13 VAL 41 3HG1 VAL 41 -6.999 4.686 1.047 324 HG21 VAL 41 3HG2 VAL 41 -4.453 2.140 1.776 325 HG22 VAL 41 1HG2 VAL 41 -4.902 2.650 0.147 326 HG23 VAL 41 2HG2 VAL 41 -6.147 2.424 1.376 327 H ASN 42 H ASN 42 -3.206 5.535 3.728 328 HA ASN 42 HA ASN 42 -4.246 8.184 3.299 329 HB2 ASN 42 2HB ASN 42 -3.155 6.807 5.759 330 HB3 ASN 42 3HB ASN 42 -3.917 8.400 5.759 331 HD21 ASN 42 1HD2 ASN 42 -4.628 5.569 6.790 332 HD22 ASN 42 2HD2 ASN 42 -6.281 5.408 6.329 333 H LEU 43 H LEU 43 -1.019 6.836 3.583 334 HA LEU 43 HA LEU 43 0.293 9.291 4.226 335 HB2 LEU 43 2HB LEU 43 1.306 6.709 3.044 336 HB3 LEU 43 3HB LEU 43 2.355 8.078 3.356 337 HG LEU 43 HG LEU 43 0.806 6.505 5.419 338 HD11 LEU 43 1HD1 LEU 43 3.038 5.869 6.222 339 HD12 LEU 43 2HD1 LEU 43 3.764 6.723 4.859 340 HD13 LEU 43 3HD1 LEU 43 2.740 5.315 4.576 341 HD21 LEU 43 3HD2 LEU 43 2.602 8.911 5.763 342 HD22 LEU 43 1HD2 LEU 43 1.993 7.903 7.077 343 HD23 LEU 43 2HD2 LEU 43 0.869 8.830 6.084 344 HA PRO 44 HA PRO 44 0.489 11.167 0.150 345 HB2 PRO 44 2HB PRO 44 2.533 12.888 0.553 346 HB3 PRO 44 3HB PRO 44 0.945 13.132 1.291 347 HG2 PRO 44 2HG PRO 44 3.429 11.954 2.497 348 HG3 PRO 44 3HG PRO 44 2.309 13.145 3.190 349 HD2 PRO 44 2HD PRO 44 2.213 10.503 3.822 350 HD3 PRO 44 3HD PRO 44 0.768 11.533 3.791 351 H VAL 45 H VAL 45 2.102 11.510 -1.652 352 HA VAL 45 HA VAL 45 3.378 9.122 -2.288 353 HB VAL 45 HB VAL 45 2.664 10.750 -3.983 354 HG11 VAL 45 1HG1 VAL 45 4.022 12.718 -4.500 355 HG12 VAL 45 2HG1 VAL 45 5.054 12.377 -3.111 356 HG13 VAL 45 3HG1 VAL 45 3.362 12.808 -2.866 357 HG21 VAL 45 3HG2 VAL 45 5.605 10.075 -4.149 358 HG22 VAL 45 1HG2 VAL 45 4.570 10.504 -5.511 359 HG23 VAL 45 2HG2 VAL 45 4.269 9.019 -4.608 360 H ASP 46 H ASP 46 4.802 12.081 -0.920 361 HA ASP 46 HA ASP 46 7.504 11.451 -1.073 362 HB2 ASP 46 2HB ASP 46 6.073 12.916 1.166 363 HB3 ASP 46 3HB ASP 46 7.801 12.992 0.827 364 H ASP 47 H ASP 47 5.441 10.977 1.808 365 HA ASP 47 HA ASP 47 7.314 9.449 3.243 366 HB2 ASP 47 2HB ASP 47 5.176 10.695 4.053 367 HB3 ASP 47 3HB ASP 47 4.332 9.206 3.645 368 H PHE 48 H PHE 48 4.732 8.540 1.021 369 HA PHE 48 HA PHE 48 4.624 5.785 1.432 370 HB2 PHE 48 2HB PHE 48 2.970 6.933 0.089 371 HB3 PHE 48 3HB PHE 48 4.189 7.410 -1.085 372 HD1 PHE 48 HD2 PHE 48 2.571 4.396 0.394 373 HD2 PHE 48 HD1 PHE 48 4.563 6.094 -2.970 374 HE1 PHE 48 HE2 PHE 48 2.092 2.369 -0.917 375 HE2 PHE 48 HE1 PHE 48 4.082 4.070 -4.281 376 HZ PHE 48 HZ PHE 48 2.844 2.206 -3.253 377 H ASN 49 H ASN 49 6.655 7.586 -0.913 378 HA ASN 49 HA ASN 49 7.965 5.410 -2.064 379 HB2 ASN 49 2HB ASN 49 8.987 8.214 -1.561 380 HB3 ASN 49 3HB ASN 49 9.794 7.039 -2.596 381 HD21 ASN 49 1HD2 ASN 49 8.661 9.645 -3.235 382 HD22 ASN 49 2HD2 ASN 49 7.495 9.367 -4.479 383 H GLU 50 H GLU 50 8.987 7.362 0.747 384 HA GLU 50 HA GLU 50 11.310 5.866 1.328 385 HB2 GLU 50 2HB GLU 50 9.569 7.526 3.161 386 HB3 GLU 50 3HB GLU 50 11.151 6.895 3.594 387 HG2 GLU 50 2HG GLU 50 12.141 8.190 1.736 388 HG3 GLU 50 3HG GLU 50 10.551 8.876 1.405 389 H LEU 51 H LEU 51 7.955 5.496 2.392 390 HA LEU 51 HA LEU 51 8.251 3.568 4.382 391 HB2 LEU 51 2HB LEU 51 6.133 4.699 3.889 392 HB3 LEU 51 3HB LEU 51 6.038 3.883 2.342 393 HG LEU 51 HG LEU 51 5.836 1.705 3.548 394 HD11 LEU 51 1HD1 LEU 51 5.291 1.722 5.940 395 HD12 LEU 51 2HD1 LEU 51 5.630 3.451 6.006 396 HD13 LEU 51 3HD1 LEU 51 6.924 2.312 5.639 397 HD21 LEU 51 3HD2 LEU 51 3.746 3.767 4.262 398 HD22 LEU 51 1HD2 LEU 51 3.512 2.018 4.217 399 HD23 LEU 51 2HD2 LEU 51 3.860 2.900 2.730 400 H LEU 52 H LEU 52 7.956 3.142 0.866 401 HA LEU 52 HA LEU 52 8.096 0.320 0.822 402 HB2 LEU 52 2HB LEU 52 9.085 2.256 -1.281 403 HB3 LEU 52 3HB LEU 52 8.680 0.568 -1.532 404 HG LEU 52 HG LEU 52 6.752 2.796 -0.847 405 HD11 LEU 52 1HD1 LEU 52 5.820 2.333 -3.068 406 HD12 LEU 52 2HD1 LEU 52 7.092 1.146 -3.354 407 HD13 LEU 52 3HD1 LEU 52 7.501 2.851 -3.158 408 HD21 LEU 52 3HD2 LEU 52 6.072 0.733 0.254 409 HD22 LEU 52 1HD2 LEU 52 6.207 -0.144 -1.273 410 HD23 LEU 52 2HD2 LEU 52 4.988 1.115 -1.082 411 H ALA 53 H ALA 53 10.636 2.742 0.265 412 HA ALA 53 HA ALA 53 12.776 0.972 -0.080 413 HB1 ALA 53 3HB ALA 53 12.862 3.818 0.917 414 HB2 ALA 53 1HB ALA 53 12.829 3.317 -0.773 415 HB3 ALA 53 2HB ALA 53 14.216 2.913 0.239 416 H ARG 54 H ARG 54 11.315 2.128 2.893 417 HA ARG 54 HA ARG 54 13.574 1.502 4.566 418 HB2 ARG 54 2HB ARG 54 10.692 2.155 5.198 419 HB3 ARG 54 3HB ARG 54 11.888 1.825 6.442 420 HG2 ARG 54 2HG ARG 54 13.222 3.732 5.670 421 HG3 ARG 54 3HG ARG 54 12.022 4.062 4.418 422 HD2 ARG 54 2HD ARG 54 11.708 5.536 6.340 423 HD3 ARG 54 3HD ARG 54 10.328 4.458 6.141 424 HE ARG 54 HE ARG 54 12.220 3.371 7.959 425 HH11 ARG 54 1HH1 ARG 54 9.789 5.805 7.729 426 HH12 ARG 54 2HH1 ARG 54 9.411 5.743 9.415 427 HH21 ARG 54 1HH2 ARG 54 11.752 3.328 10.131 428 HH22 ARG 54 2HH2 ARG 54 10.518 4.362 10.764 429 H TYR 55 H TYR 55 10.760 -0.261 3.458 430 HA TYR 55 HA TYR 55 11.299 -2.423 5.379 431 HB2 TYR 55 2HB TYR 55 8.883 -1.811 3.669 432 HB3 TYR 55 3HB TYR 55 9.061 -3.314 4.571 433 HD1 TYR 55 HD2 TYR 55 9.130 0.398 5.086 434 HD2 TYR 55 HD1 TYR 55 8.281 -3.423 6.763 435 HE1 TYR 55 HE2 TYR 55 8.229 1.485 7.095 436 HE2 TYR 55 HE1 TYR 55 7.379 -2.345 8.776 437 HH TYR 55 HH TYR 55 7.557 -0.207 9.972 438 HA PRO 56 HA PRO 56 13.194 -4.905 2.214 439 HB2 PRO 56 2HB PRO 56 12.935 -7.355 3.393 440 HB3 PRO 56 3HB PRO 56 14.129 -6.156 3.899 441 HG2 PRO 56 2HG PRO 56 11.454 -6.784 5.101 442 HG3 PRO 56 3HG PRO 56 13.004 -6.488 5.913 443 HD2 PRO 56 2HD PRO 56 11.085 -4.593 5.723 444 HD3 PRO 56 3HD PRO 56 12.816 -4.191 5.703 445 H LEU 57 H LEU 57 11.459 -4.455 0.692 446 HA LEU 57 HA LEU 57 9.448 -6.601 0.446 447 HB2 LEU 57 2HB LEU 57 9.433 -3.811 -0.718 448 HB3 LEU 57 3HB LEU 57 8.175 -5.013 -0.948 449 HG LEU 57 HG LEU 57 8.935 -3.742 1.691 450 HD11 LEU 57 1HD1 LEU 57 6.564 -3.300 -0.125 451 HD12 LEU 57 2HD1 LEU 57 7.838 -2.142 0.266 452 HD13 LEU 57 3HD1 LEU 57 6.716 -2.670 1.516 453 HD21 LEU 57 3HD2 LEU 57 6.707 -5.673 1.016 454 HD22 LEU 57 1HD2 LEU 57 6.936 -4.864 2.570 455 HD23 LEU 57 2HD2 LEU 57 8.133 -6.023 1.996 456 H THR 58 H THR 58 9.254 -7.756 -1.425 457 HA THR 58 HA THR 58 11.365 -7.629 -3.402 458 HB THR 58 HB THR 58 10.289 -9.519 -4.469 459 HG1 THR 58 HG1 THR 58 8.220 -10.233 -3.758 460 HG21 THR 58 3HG2 THR 58 10.232 -11.135 -2.624 461 HG22 THR 58 1HG2 THR 58 10.111 -9.817 -1.458 462 HG23 THR 58 2HG2 THR 58 11.573 -10.008 -2.424 463 H GLU 59 H GLU 59 10.624 -7.773 -5.804 464 HA GLU 59 HA GLU 59 9.396 -5.322 -6.521 465 HB2 GLU 59 2HB GLU 59 9.948 -7.756 -8.242 466 HB3 GLU 59 3HB GLU 59 9.584 -6.139 -8.836 467 HG2 GLU 59 2HG GLU 59 11.630 -5.284 -7.838 468 HG3 GLU 59 3HG GLU 59 11.981 -6.871 -7.158 469 H SER 60 H SER 60 8.182 -8.592 -6.184 470 HA SER 60 HA SER 60 5.619 -8.117 -7.373 471 HB2 SER 60 2HB SER 60 4.996 -10.279 -6.272 472 HB3 SER 60 3HB SER 60 6.459 -10.387 -7.250 473 HG SER 60 HG SER 60 6.491 -11.352 -5.051 474 H GLN 61 H GLN 61 6.818 -8.163 -4.003 475 HA GLN 61 HA GLN 61 4.368 -7.566 -2.747 476 HB2 GLN 61 2HB GLN 61 7.172 -6.807 -1.889 477 HB3 GLN 61 3HB GLN 61 5.746 -6.701 -0.863 478 HG2 GLN 61 2HG GLN 61 5.441 -9.144 -1.088 479 HG3 GLN 61 3HG GLN 61 6.927 -9.215 -2.035 480 HE21 GLN 61 1HE2 GLN 61 5.571 -8.821 1.134 481 HE22 GLN 61 2HE2 GLN 61 7.060 -8.927 1.999 482 H LEU 62 H LEU 62 6.957 -5.353 -3.830 483 HA LEU 62 HA LEU 62 5.721 -2.931 -3.241 484 HB2 LEU 62 2HB LEU 62 7.617 -3.699 -5.458 485 HB3 LEU 62 3HB LEU 62 7.075 -2.046 -5.225 486 HG LEU 62 HG LEU 62 8.606 -3.672 -3.176 487 HD11 LEU 62 1HD1 LEU 62 10.492 -2.239 -3.693 488 HD12 LEU 62 2HD1 LEU 62 9.552 -1.404 -4.931 489 HD13 LEU 62 3HD1 LEU 62 9.970 -3.107 -5.137 490 HD21 LEU 62 3HD2 LEU 62 8.826 -1.533 -1.996 491 HD22 LEU 62 1HD2 LEU 62 7.142 -2.039 -2.135 492 HD23 LEU 62 2HD2 LEU 62 7.772 -0.772 -3.189 493 H ALA 63 H ALA 63 5.360 -4.964 -6.137 494 HA ALA 63 HA ALA 63 3.686 -3.318 -7.646 495 HB1 ALA 63 3HB ALA 63 3.599 -6.334 -7.458 496 HB2 ALA 63 1HB ALA 63 4.671 -5.399 -8.498 497 HB3 ALA 63 2HB ALA 63 2.928 -5.355 -8.763 498 H LEU 64 H LEU 64 2.821 -5.690 -5.127 499 HA LEU 64 HA LEU 64 0.029 -5.328 -5.227 500 HB2 LEU 64 2HB LEU 64 1.054 -7.206 -4.054 501 HB3 LEU 64 3HB LEU 64 1.781 -6.112 -2.890 502 HG LEU 64 HG LEU 64 -0.558 -5.435 -2.208 503 HD11 LEU 64 1HD1 LEU 64 -1.331 -7.825 -3.884 504 HD12 LEU 64 2HD1 LEU 64 -1.752 -6.142 -4.198 505 HD13 LEU 64 3HD1 LEU 64 -2.395 -6.959 -2.775 506 HD21 LEU 64 3HD2 LEU 64 0.775 -6.979 -0.869 507 HD22 LEU 64 1HD2 LEU 64 0.177 -8.334 -1.825 508 HD23 LEU 64 2HD2 LEU 64 -0.935 -7.408 -0.818 509 H VAL 65 H VAL 65 2.483 -3.762 -3.157 510 HA VAL 65 HA VAL 65 0.789 -2.183 -1.604 511 HB VAL 65 HB VAL 65 3.549 -1.377 -2.570 512 HG11 VAL 65 1HG1 VAL 65 1.977 -0.553 -0.122 513 HG12 VAL 65 2HG1 VAL 65 2.334 0.461 -1.521 514 HG13 VAL 65 3HG1 VAL 65 3.641 -0.086 -0.471 515 HG21 VAL 65 3HG2 VAL 65 3.594 -3.623 -1.573 516 HG22 VAL 65 1HG2 VAL 65 2.788 -3.001 -0.131 517 HG23 VAL 65 2HG2 VAL 65 4.413 -2.449 -0.543 518 H ARG 66 H ARG 66 2.245 -1.476 -4.766 519 HA ARG 66 HA ARG 66 1.299 1.152 -5.088 520 HB2 ARG 66 2HB ARG 66 1.908 -0.974 -7.159 521 HB3 ARG 66 3HB ARG 66 1.618 0.720 -7.540 522 HG2 ARG 66 2HG ARG 66 3.585 1.390 -6.332 523 HG3 ARG 66 3HG ARG 66 3.830 -0.249 -5.730 524 HD2 ARG 66 2HD ARG 66 5.354 0.255 -7.572 525 HD3 ARG 66 3HD ARG 66 4.237 -1.037 -8.006 526 HE ARG 66 HE ARG 66 2.951 0.937 -9.102 527 HH11 ARG 66 1HH1 ARG 66 6.372 0.538 -8.994 528 HH12 ARG 66 2HH1 ARG 66 6.627 1.393 -10.474 529 HH21 ARG 66 1HH2 ARG 66 3.284 2.032 -10.993 530 HH22 ARG 66 2HH2 ARG 66 4.892 2.230 -11.600 531 H ASP 67 H ASP 67 -0.264 -1.951 -5.736 532 HA ASP 67 HA ASP 67 -2.548 -0.799 -7.042 533 HB2 ASP 67 2HB ASP 67 -1.846 -3.099 -7.519 534 HB3 ASP 67 3HB ASP 67 -2.165 -3.557 -5.850 535 H ILE 68 H ILE 68 -2.045 -2.232 -3.791 536 HA ILE 68 HA ILE 68 -4.579 -1.790 -2.735 537 HB ILE 68 HB ILE 68 -1.916 -1.695 -1.297 538 HG12 ILE 68 2HG1 ILE 68 -3.949 -3.920 -1.651 539 HG13 ILE 68 3HG1 ILE 68 -2.358 -3.838 -2.398 540 HG21 ILE 68 1HG2 ILE 68 -4.690 -1.967 -0.124 541 HG22 ILE 68 2HG2 ILE 68 -3.640 -0.558 0.018 542 HG23 ILE 68 3HG2 ILE 68 -3.173 -2.082 0.771 543 HD11 ILE 68 3HD1 ILE 68 -2.917 -4.101 0.549 544 HD12 ILE 68 1HD1 ILE 68 -1.318 -3.993 -0.190 545 HD13 ILE 68 2HD1 ILE 68 -2.358 -5.376 -0.533 546 H ARG 69 H ARG 69 -1.777 0.409 -2.750 547 HA ARG 69 HA ARG 69 -2.744 2.616 -1.415 548 HB2 ARG 69 2HB ARG 69 -0.488 2.193 -2.674 549 HB3 ARG 69 3HB ARG 69 -1.299 2.908 -4.054 550 HG2 ARG 69 2HG ARG 69 -0.821 4.260 -1.397 551 HG3 ARG 69 3HG ARG 69 0.112 4.519 -2.866 552 HD2 ARG 69 2HD ARG 69 -2.121 5.218 -3.930 553 HD3 ARG 69 3HD ARG 69 -2.732 5.304 -2.280 554 HE ARG 69 HE ARG 69 -1.117 7.222 -3.592 555 HH11 ARG 69 1HH1 ARG 69 -1.441 5.754 -0.472 556 HH12 ARG 69 2HH1 ARG 69 -0.956 7.189 0.356 557 HH21 ARG 69 1HH2 ARG 69 -0.496 9.044 -2.477 558 HH22 ARG 69 2HH2 ARG 69 -0.454 9.008 -0.748 559 H ARG 70 H ARG 70 -3.357 1.663 -4.771 560 HA ARG 70 HA ARG 70 -4.985 3.933 -5.399 561 HB2 ARG 70 2HB ARG 70 -3.655 2.645 -7.066 562 HB3 ARG 70 3HB ARG 70 -4.747 1.285 -6.845 563 HG2 ARG 70 2HG ARG 70 -6.612 2.674 -7.668 564 HG3 ARG 70 3HG ARG 70 -5.483 4.008 -7.920 565 HD2 ARG 70 2HD ARG 70 -5.499 1.329 -9.316 566 HD3 ARG 70 3HD ARG 70 -5.840 2.909 -10.024 567 HE ARG 70 HE ARG 70 -3.189 2.488 -8.876 568 HH11 ARG 70 1HH1 ARG 70 -5.160 2.799 -11.680 569 HH12 ARG 70 2HH1 ARG 70 -3.803 2.954 -12.739 570 HH21 ARG 70 1HH2 ARG 70 -1.470 2.702 -10.234 571 HH22 ARG 70 2HH2 ARG 70 -1.735 2.897 -11.931 572 H ARG 71 H ARG 71 -5.644 0.583 -4.430 573 HA ARG 71 HA ARG 71 -8.392 0.515 -4.969 574 HB2 ARG 71 2HB ARG 71 -6.896 -0.932 -2.767 575 HB3 ARG 71 3HB ARG 71 -8.504 -1.348 -3.352 576 HG2 ARG 71 2HG ARG 71 -5.957 -1.435 -4.969 577 HG3 ARG 71 3HG ARG 71 -6.790 -2.826 -4.276 578 HD2 ARG 71 2HD ARG 71 -8.679 -2.501 -5.716 579 HD3 ARG 71 3HD ARG 71 -8.057 -0.946 -6.274 580 HE ARG 71 HE ARG 71 -6.092 -2.644 -6.977 581 HH11 ARG 71 1HH1 ARG 71 -9.501 -2.732 -7.508 582 HH12 ARG 71 2HH1 ARG 71 -9.343 -3.585 -9.003 583 HH21 ARG 71 1HH2 ARG 71 -5.902 -3.707 -8.873 584 HH22 ARG 71 2HH2 ARG 71 -7.325 -4.120 -9.781 585 H GLY 72 H GLY 72 -6.757 1.292 -1.892 586 HA2 GLY 72 2HA GLY 72 -9.136 2.065 -0.536 587 HA3 GLY 72 3HA GLY 72 -7.496 2.471 -0.056 588 H LYS 73 H LYS 73 -6.704 3.898 -2.352 589 HA LYS 73 HA LYS 73 -7.659 6.486 -1.784 590 HB2 LYS 73 2HB LYS 73 -5.437 5.912 -2.819 591 HB3 LYS 73 3HB LYS 73 -6.277 5.583 -4.325 592 HG2 LYS 73 2HG LYS 73 -5.330 7.774 -4.452 593 HG3 LYS 73 3HG LYS 73 -7.083 7.937 -4.336 594 HD2 LYS 73 2HD LYS 73 -5.940 9.573 -2.910 595 HD3 LYS 73 3HD LYS 73 -6.892 8.441 -1.946 596 HE2 LYS 73 2HE LYS 73 -4.873 7.170 -1.419 597 HE3 LYS 73 3HE LYS 73 -3.916 8.257 -2.427 598 HZ1 LYS 73 3HZ LYS 73 -3.769 8.791 -0.053 599 HZ2 LYS 73 1HZ LYS 73 -5.433 9.090 -0.022 600 HZ3 LYS 73 2HZ LYS 73 -4.418 10.063 -0.956 601 H ASN 74 H ASN 74 -8.689 4.092 -4.137 602 HA ASN 74 HA ASN 74 -10.147 5.701 -5.895 603 HB2 ASN 74 2HB ASN 74 -9.581 3.265 -6.196 604 HB3 ASN 74 3HB ASN 74 -10.880 2.885 -5.070 605 HD21 ASN 74 1HD2 ASN 74 -12.091 1.774 -6.573 606 HD22 ASN 74 2HD2 ASN 74 -12.885 2.550 -7.895 607 H LYS 75 H LYS 75 -10.985 4.493 -2.702 608 HA LYS 75 HA LYS 75 -13.749 5.074 -2.740 609 HB2 LYS 75 2HB LYS 75 -12.669 3.721 -0.971 610 HB3 LYS 75 3HB LYS 75 -11.833 5.154 -0.392 611 HG2 LYS 75 2HG LYS 75 -13.751 4.629 1.010 612 HG3 LYS 75 3HG LYS 75 -13.971 6.180 0.199 613 HD2 LYS 75 2HD LYS 75 -15.400 5.086 -1.482 614 HD3 LYS 75 3HD LYS 75 -15.185 3.545 -0.650 615 HE2 LYS 75 2HE LYS 75 -16.464 6.017 0.520 616 HE3 LYS 75 3HE LYS 75 -17.323 4.595 -0.071 617 HZ1 LYS 75 3HZ LYS 75 -17.028 4.638 2.360 618 HZ2 LYS 75 1HZ LYS 75 -15.356 4.553 2.148 619 HZ3 LYS 75 2HZ LYS 75 -16.335 3.274 1.640 620 H VAL 76 H VAL 76 -10.923 7.071 -1.988 621 HA VAL 76 HA VAL 76 -12.435 9.454 -1.442 622 HB VAL 76 HB VAL 76 -9.518 9.192 -2.235 623 HG11 VAL 76 1HG1 VAL 76 -9.244 11.377 -1.153 624 HG12 VAL 76 2HG1 VAL 76 -10.982 11.445 -0.851 625 HG13 VAL 76 3HG1 VAL 76 -10.371 11.461 -2.506 626 HG21 VAL 76 3HG2 VAL 76 -9.018 9.260 0.160 627 HG22 VAL 76 1HG2 VAL 76 -10.018 7.864 -0.237 628 HG23 VAL 76 2HG2 VAL 76 -10.743 9.277 0.530 629 H ALA 77 H ALA 77 -10.821 8.067 -4.262 630 HA ALA 77 HA ALA 77 -11.162 10.179 -6.074 631 HB1 ALA 77 3HB ALA 77 -11.156 7.218 -6.683 632 HB2 ALA 77 1HB ALA 77 -9.722 8.233 -6.514 633 HB3 ALA 77 2HB ALA 77 -10.856 8.523 -7.833 634 H ALA 78 H ALA 78 -13.425 7.741 -4.935 635 HA ALA 78 HA ALA 78 -15.498 8.052 -6.786 636 HB1 ALA 78 3HB ALA 78 -17.005 7.327 -4.967 637 HB2 ALA 78 1HB ALA 78 -15.692 7.547 -3.812 638 HB3 ALA 78 2HB ALA 78 -15.557 6.327 -5.080 639 H GLN 79 H GLN 79 -14.473 10.147 -4.169 640 HA GLN 79 HA GLN 79 -16.701 11.997 -4.556 641 HB2 GLN 79 2HB GLN 79 -14.246 12.175 -2.783 642 HB3 GLN 79 3HB GLN 79 -15.581 13.320 -2.780 643 HG2 GLN 79 2HG GLN 79 -17.100 11.612 -1.990 644 HG3 GLN 79 3HG GLN 79 -15.831 10.393 -2.098 645 HE21 GLN 79 1HE2 GLN 79 -17.005 13.158 -0.332 646 HE22 GLN 79 2HE2 GLN 79 -16.003 12.933 1.060 647 H ASN 80 H ASN 80 -13.298 11.686 -5.363 648 HA ASN 80 HA ASN 80 -13.216 14.373 -6.553 649 HB2 ASN 80 2HB ASN 80 -10.983 12.364 -6.163 650 HB3 ASN 80 3HB ASN 80 -10.796 14.027 -6.709 651 HD21 ASN 80 1HD2 ASN 80 -9.579 12.784 -4.427 652 HD22 ASN 80 2HD2 ASN 80 -10.110 13.665 -3.040 653 H TYR 81 H TYR 81 -14.692 12.093 -7.790 654 HA TYR 81 HA TYR 81 -13.130 11.157 -10.003 655 HB2 TYR 81 2HB TYR 81 -15.007 9.854 -8.987 656 HB3 TYR 81 3HB TYR 81 -16.137 11.021 -9.668 657 HD1 TYR 81 HD1 TYR 81 -13.532 8.528 -10.584 658 HD2 TYR 81 HD2 TYR 81 -16.887 10.794 -11.908 659 HE1 TYR 81 HE1 TYR 81 -13.574 7.237 -12.674 660 HE2 TYR 81 HE2 TYR 81 -16.934 9.505 -14.002 661 HH TYR 81 HH TYR 81 -15.151 6.637 -14.451 662 H ARG 82 H ARG 82 -12.853 12.026 -11.942 663 HA ARG 82 HA ARG 82 -13.889 14.607 -12.607 664 HB2 ARG 82 2HB ARG 82 -11.667 13.943 -13.328 665 HB3 ARG 82 3HB ARG 82 -12.323 12.581 -14.224 666 HG2 ARG 82 2HG ARG 82 -13.527 14.221 -15.685 667 HG3 ARG 82 3HG ARG 82 -12.652 15.513 -14.862 668 HD2 ARG 82 2HD ARG 82 -11.578 14.847 -16.983 669 HD3 ARG 82 3HD ARG 82 -10.529 14.585 -15.585 670 HE ARG 82 HE ARG 82 -12.111 12.318 -16.479 671 HH11 ARG 82 1HH1 ARG 82 -9.059 13.907 -16.538 672 HH12 ARG 82 2HH1 ARG 82 -8.206 12.465 -16.962 673 HH21 ARG 82 1HH2 ARG 82 -11.010 10.484 -17.008 674 HH22 ARG 82 2HH2 ARG 82 -9.294 10.546 -17.208 675 H LYS 83 H LYS 83 -15.985 14.843 -13.164 676 HA LYS 83 HA LYS 83 -17.434 12.761 -14.554 677 HB2 LYS 83 2HB LYS 83 -18.573 14.056 -12.827 678 HB3 LYS 83 3HB LYS 83 -18.278 15.544 -13.712 679 HG2 LYS 83 2HG LYS 83 -20.561 14.886 -14.043 680 HG3 LYS 83 3HG LYS 83 -19.688 14.686 -15.561 681 HD2 LYS 83 2HD LYS 83 -21.152 12.787 -15.202 682 HD3 LYS 83 3HD LYS 83 -19.468 12.268 -15.087 683 HE2 LYS 83 2HE LYS 83 -19.596 12.282 -12.663 684 HE3 LYS 83 3HE LYS 83 -21.239 12.920 -12.728 685 HZ1 LYS 83 3HZ LYS 83 -21.272 10.567 -12.323 686 HZ2 LYS 83 1HZ LYS 83 -20.348 10.265 -13.706 687 HZ3 LYS 83 2HZ LYS 83 -21.918 10.874 -13.856 688 H ARG 84 H ARG 84 -17.852 12.626 -16.670 689 HA ARG 84 HA ARG 84 -17.898 14.977 -18.376 690 HB2 ARG 84 2HB ARG 84 -16.354 13.933 -20.054 691 HB3 ARG 84 3HB ARG 84 -15.554 14.424 -18.565 692 HG2 ARG 84 2HG ARG 84 -15.504 12.138 -17.782 693 HG3 ARG 84 3HG ARG 84 -16.445 11.607 -19.178 694 HD2 ARG 84 2HD ARG 84 -14.643 12.124 -20.671 695 HD3 ARG 84 3HD ARG 84 -13.728 12.911 -19.385 696 HE ARG 84 HE ARG 84 -13.473 10.705 -18.365 697 HH11 ARG 84 1HH1 ARG 84 -14.427 10.783 -21.676 698 HH12 ARG 84 2HH1 ARG 84 -13.797 9.209 -22.007 699 HH21 ARG 84 1HH2 ARG 84 -12.641 8.712 -18.804 700 HH22 ARG 84 2HH2 ARG 84 -12.771 8.054 -20.399 701 H LYS 85 H LYS 85 -18.434 14.151 -20.759 702 HA LYS 85 HA LYS 85 -19.943 11.636 -20.667 703 HB2 LYS 85 2HB LYS 85 -21.947 12.509 -21.526 704 HB3 LYS 85 3HB LYS 85 -21.482 13.655 -20.283 705 HG2 LYS 85 2HG LYS 85 -20.900 14.081 -23.208 706 HG3 LYS 85 3HG LYS 85 -22.375 14.642 -22.426 707 HD2 LYS 85 2HD LYS 85 -19.589 15.418 -21.546 708 HD3 LYS 85 3HD LYS 85 -20.585 16.376 -22.644 709 HE2 LYS 85 2HE LYS 85 -22.330 16.479 -20.868 710 HE3 LYS 85 3HE LYS 85 -21.206 15.671 -19.774 711 HZ1 LYS 85 3HZ LYS 85 -20.766 18.294 -21.095 712 HZ2 LYS 85 1HZ LYS 85 -19.674 17.518 -20.066 713 HZ3 LYS 85 2HZ LYS 85 -21.156 18.054 -19.465 714 H LEU 86 H LEU 86 -19.606 10.381 -22.411 715 HA LEU 86 HA LEU 86 -18.175 11.440 -24.708 716 HB2 LEU 86 2HB LEU 86 -17.652 9.195 -23.805 717 HB3 LEU 86 3HB LEU 86 -19.278 8.667 -24.200 718 HG LEU 86 HG LEU 86 -18.817 8.994 -26.595 719 HD11 LEU 86 1HD1 LEU 86 -17.185 10.816 -26.392 720 HD12 LEU 86 2HD1 LEU 86 -16.569 9.496 -27.384 721 HD13 LEU 86 3HD1 LEU 86 -16.007 9.688 -25.722 722 HD21 LEU 86 3HD2 LEU 86 -18.410 6.809 -25.597 723 HD22 LEU 86 1HD2 LEU 86 -16.759 7.281 -25.193 724 HD23 LEU 86 2HD2 LEU 86 -17.249 7.136 -26.883 725 H GLU 87 H GLU 87 -19.190 12.356 -26.380 726 HA GLU 87 HA GLU 87 -21.922 12.726 -26.581 727 HB2 GLU 87 2HB GLU 87 -19.917 12.768 -28.849 728 HB3 GLU 87 3HB GLU 87 -21.514 13.510 -28.874 729 HG2 GLU 87 2HG GLU 87 -20.832 14.987 -27.020 730 HG3 GLU 87 3HG GLU 87 -19.225 14.266 -27.063 731 H THR 88 H THR 88 -23.227 10.990 -26.478 732 HA THR 88 HA THR 88 -22.756 8.655 -28.175 733 HB THR 88 HB THR 88 -24.905 9.114 -26.080 734 HG1 THR 88 HG1 THR 88 -22.483 8.944 -25.527 735 HG21 THR 88 3HG2 THR 88 -25.157 6.663 -26.130 736 HG22 THR 88 1HG2 THR 88 -24.006 6.577 -27.462 737 HG23 THR 88 2HG2 THR 88 -25.555 7.392 -27.686 738 H ILE 89 H ILE 89 -23.939 8.134 -29.951 739 HA ILE 89 HA ILE 89 -25.924 10.051 -30.899 740 HB ILE 89 HB ILE 89 -24.806 7.590 -32.266 741 HG12 ILE 89 2HG1 ILE 89 -23.069 9.270 -31.867 742 HG13 ILE 89 3HG1 ILE 89 -23.457 9.189 -33.580 743 HG21 ILE 89 1HG2 ILE 89 -25.734 8.573 -34.326 744 HG22 ILE 89 2HG2 ILE 89 -26.473 9.857 -33.368 745 HG23 ILE 89 3HG2 ILE 89 -26.991 8.184 -33.151 746 HD11 ILE 89 3HD1 ILE 89 -24.779 11.218 -33.398 747 HD12 ILE 89 1HD1 ILE 89 -23.138 11.483 -32.813 748 HD13 ILE 89 2HD1 ILE 89 -24.461 11.288 -31.664 749 H VAL 90 H VAL 90 -27.960 9.793 -30.226 750 HA VAL 90 HA VAL 90 -29.010 7.128 -29.633 751 HB VAL 90 HB VAL 90 -30.973 8.321 -28.713 752 HG11 VAL 90 1HG1 VAL 90 -29.846 9.314 -26.778 753 HG12 VAL 90 2HG1 VAL 90 -28.323 9.343 -27.668 754 HG13 VAL 90 3HG1 VAL 90 -29.076 7.802 -27.256 755 HG21 VAL 90 3HG2 VAL 90 -30.894 10.779 -28.466 756 HG22 VAL 90 1HG2 VAL 90 -30.990 10.279 -30.155 757 HG23 VAL 90 2HG2 VAL 90 -29.452 10.821 -29.481 758 H GLN 91 H GLN 91 -31.111 6.452 -30.460 759 HA GLN 91 HA GLN 91 -31.488 7.325 -33.237 760 HB2 GLN 91 2HB GLN 91 -32.791 5.173 -33.461 761 HB3 GLN 91 3HB GLN 91 -31.076 4.999 -33.127 762 HG2 GLN 91 2HG GLN 91 -31.578 4.547 -30.772 763 HG3 GLN 91 3HG GLN 91 -33.298 4.732 -31.102 764 HE21 GLN 91 1HE2 GLN 91 -34.351 3.159 -32.343 765 HE22 GLN 91 2HE2 GLN 91 -33.689 1.571 -32.530 Start of MODEL 2 1 H1 MET 1 1H MET 1 30.565 -45.968 3.843 2 H2 MET 1 2H MET 1 29.634 -47.270 3.297 3 H3 MET 1 3H MET 1 31.315 -47.294 3.109 4 HA MET 1 HA MET 1 30.653 -48.724 4.911 5 HB2 MET 1 2HB MET 1 32.825 -47.691 5.091 6 HB3 MET 1 3HB MET 1 32.123 -46.202 5.704 7 HG2 MET 1 2HG MET 1 31.494 -47.293 7.762 8 HG3 MET 1 3HG MET 1 32.044 -48.847 7.141 9 HE1 MET 1 3HE MET 1 34.762 -48.284 5.725 10 HE2 MET 1 1HE MET 1 34.529 -49.575 6.907 11 HE3 MET 1 2HE MET 1 35.898 -48.476 7.059 12 H GLY 2 H GLY 2 29.430 -49.130 6.740 13 HA2 GLY 2 2HA GLY 2 27.200 -47.366 7.229 14 HA3 GLY 2 3HA GLY 2 27.512 -48.900 8.021 15 H HIS 3 H HIS 3 30.072 -48.318 9.039 16 HA HIS 3 HA HIS 3 29.619 -47.337 11.538 17 HB2 HIS 3 2HB HIS 3 31.646 -48.499 11.066 18 HB3 HIS 3 3HB HIS 3 32.146 -47.295 9.887 19 HD1 HIS 3 HD1 HIS 3 31.869 -47.831 13.608 20 HD2 HIS 3 HD2 HIS 3 33.520 -45.130 10.916 21 HE1 HIS 3 HE1 HIS 3 33.346 -46.334 14.976 22 HE2 HIS 3 HE2 HIS 3 34.516 -44.888 13.289 23 H HIS 4 H HIS 4 28.684 -45.458 12.064 24 HA HIS 4 HA HIS 4 28.526 -43.252 12.589 25 HB2 HIS 4 2HB HIS 4 30.941 -43.392 13.018 26 HB3 HIS 4 3HB HIS 4 31.272 -43.053 11.325 27 HD1 HIS 4 HD1 HIS 4 31.368 -40.635 10.628 28 HD2 HIS 4 HD2 HIS 4 29.896 -41.132 14.478 29 HE1 HIS 4 HE1 HIS 4 31.239 -38.329 11.597 30 HE2 HIS 4 HE2 HIS 4 30.554 -38.681 13.991 31 H HIS 5 H HIS 5 28.022 -44.365 9.690 32 HA HIS 5 HA HIS 5 28.169 -41.971 8.070 33 HB2 HIS 5 2HB HIS 5 28.522 -44.205 7.088 34 HB3 HIS 5 3HB HIS 5 26.873 -44.650 7.502 35 HD1 HIS 5 HD1 HIS 5 28.840 -42.492 5.129 36 HD2 HIS 5 HD2 HIS 5 24.928 -43.759 5.727 37 HE1 HIS 5 HE1 HIS 5 27.598 -41.838 3.050 38 HE2 HIS 5 HE2 HIS 5 25.297 -42.812 3.349 39 H HIS 6 H HIS 6 26.819 -40.390 8.897 40 HA HIS 6 HA HIS 6 23.930 -40.982 8.799 41 HB2 HIS 6 2HB HIS 6 24.743 -40.874 11.161 42 HB3 HIS 6 3HB HIS 6 25.249 -39.213 10.876 43 HD1 HIS 6 HD1 HIS 6 23.399 -37.414 10.767 44 HD2 HIS 6 HD2 HIS 6 21.968 -41.259 11.429 45 HE1 HIS 6 HE1 HIS 6 20.999 -37.134 11.444 46 HE2 HIS 6 HE2 HIS 6 20.118 -39.474 11.701 47 H HIS 7 H HIS 7 22.559 -39.230 8.196 48 HA HIS 7 HA HIS 7 23.884 -37.291 6.453 49 HB2 HIS 7 2HB HIS 7 20.939 -37.919 6.802 50 HB3 HIS 7 3HB HIS 7 21.626 -36.878 5.563 51 HD1 HIS 7 HD1 HIS 7 20.798 -40.370 6.286 52 HD2 HIS 7 HD2 HIS 7 23.233 -38.318 3.612 53 HE1 HIS 7 HE1 HIS 7 21.348 -42.014 4.479 54 HE2 HIS 7 HE2 HIS 7 22.654 -40.697 2.782 55 H HIS 8 H HIS 8 22.573 -35.101 6.291 56 HA HIS 8 HA HIS 8 21.715 -34.097 8.919 57 HB2 HIS 8 2HB HIS 8 23.874 -32.853 7.201 58 HB3 HIS 8 3HB HIS 8 23.009 -31.948 8.438 59 HD1 HIS 8 HD1 HIS 8 23.512 -32.537 10.909 60 HD2 HIS 8 HD2 HIS 8 25.800 -34.643 8.153 61 HE1 HIS 8 HE1 HIS 8 25.370 -33.576 12.235 62 HE2 HIS 8 HE2 HIS 8 26.646 -34.966 10.574 63 H SER 9 H SER 9 19.714 -33.343 8.621 64 HA SER 9 HA SER 9 19.154 -31.577 6.346 65 HB2 SER 9 2HB SER 9 18.408 -33.791 5.581 66 HB3 SER 9 3HB SER 9 17.424 -33.973 7.033 67 HG SER 9 HG SER 9 16.293 -33.221 5.100 68 H HIS 10 H HIS 10 16.761 -30.741 6.597 69 HA HIS 10 HA HIS 10 15.842 -30.409 9.310 70 HB2 HIS 10 2HB HIS 10 16.096 -27.896 9.272 71 HB3 HIS 10 3HB HIS 10 17.602 -28.789 9.445 72 HD1 HIS 10 HD1 HIS 10 19.421 -28.182 7.849 73 HD2 HIS 10 HD2 HIS 10 15.696 -26.902 6.523 74 HE1 HIS 10 HE1 HIS 10 19.868 -26.855 5.773 75 HE2 HIS 10 HE2 HIS 10 17.597 -26.237 4.898 76 H MET 11 H MET 11 13.757 -29.450 9.440 77 HA MET 11 HA MET 11 12.363 -29.259 6.841 78 HB2 MET 11 2HB MET 11 11.715 -31.034 8.566 79 HB3 MET 11 3HB MET 11 11.083 -29.718 9.542 80 HG2 MET 11 2HG MET 11 10.167 -30.348 6.742 81 HG3 MET 11 3HG MET 11 9.373 -30.922 8.205 82 HE1 MET 11 3HE MET 11 8.075 -27.607 9.809 83 HE2 MET 11 1HE MET 11 9.602 -28.418 10.150 84 HE3 MET 11 2HE MET 11 8.129 -29.366 9.934 85 H ALA 12 H ALA 12 11.188 -27.455 6.305 86 HA ALA 12 HA ALA 12 11.808 -25.030 7.732 87 HB1 ALA 12 3HB ALA 12 11.849 -25.120 5.284 88 HB2 ALA 12 1HB ALA 12 10.733 -23.887 5.872 89 HB3 ALA 12 2HB ALA 12 10.113 -25.424 5.266 90 H LYS 13 H LYS 13 10.706 -24.721 9.593 91 HA LYS 13 HA LYS 13 8.000 -25.554 10.002 92 HB2 LYS 13 2HB LYS 13 8.213 -24.338 12.189 93 HB3 LYS 13 3HB LYS 13 9.450 -25.555 11.907 94 HG2 LYS 13 2HG LYS 13 11.101 -23.918 11.456 95 HG3 LYS 13 3HG LYS 13 9.899 -22.634 11.331 96 HD2 LYS 13 2HD LYS 13 10.428 -24.185 13.870 97 HD3 LYS 13 3HD LYS 13 11.224 -22.661 13.472 98 HE2 LYS 13 2HE LYS 13 9.080 -21.521 13.412 99 HE3 LYS 13 3HE LYS 13 8.232 -23.041 13.696 100 HZ1 LYS 13 3HZ LYS 13 9.190 -23.183 15.863 101 HZ2 LYS 13 1HZ LYS 13 8.483 -21.657 15.700 102 HZ3 LYS 13 2HZ LYS 13 10.165 -21.825 15.597 103 HA PRO 14 HA PRO 14 6.120 -21.623 8.762 104 HB2 PRO 14 2HB PRO 14 3.656 -22.536 8.349 105 HB3 PRO 14 3HB PRO 14 4.971 -23.003 7.260 106 HG2 PRO 14 2HG PRO 14 3.676 -24.574 9.450 107 HG3 PRO 14 3HG PRO 14 4.264 -25.125 7.871 108 HD2 PRO 14 2HD PRO 14 5.647 -25.318 10.323 109 HD3 PRO 14 3HD PRO 14 6.342 -25.551 8.706 110 H THR 15 H THR 15 4.158 -20.382 9.585 111 HA THR 15 HA THR 15 3.414 -21.112 12.349 112 HB THR 15 HB THR 15 3.261 -18.676 12.890 113 HG1 THR 15 HG1 THR 15 4.872 -17.577 11.176 114 HG21 THR 15 3HG2 THR 15 5.235 -19.962 13.562 115 HG22 THR 15 1HG2 THR 15 5.671 -18.302 13.151 116 HG23 THR 15 2HG2 THR 15 6.002 -19.608 12.012 117 H ALA 16 H ALA 16 1.283 -21.171 12.762 118 HA ALA 16 HA ALA 16 -0.530 -20.545 10.543 119 HB1 ALA 16 3HB ALA 16 -2.140 -21.977 11.673 120 HB2 ALA 16 1HB ALA 16 -1.050 -22.143 13.050 121 HB3 ALA 16 2HB ALA 16 -0.597 -22.808 11.481 122 H ARG 17 H ARG 17 -1.474 -18.594 10.564 123 HA ARG 17 HA ARG 17 -2.717 -17.651 13.070 124 HB2 ARG 17 2HB ARG 17 -1.147 -15.978 11.093 125 HB3 ARG 17 3HB ARG 17 -2.182 -15.293 12.339 126 HG2 ARG 17 2HG ARG 17 -0.795 -16.288 14.071 127 HG3 ARG 17 3HG ARG 17 0.216 -17.054 12.846 128 HD2 ARG 17 2HD ARG 17 1.269 -15.033 13.732 129 HD3 ARG 17 3HD ARG 17 0.900 -14.861 12.018 130 HE ARG 17 HE ARG 17 -1.256 -13.771 13.246 131 HH11 ARG 17 1HH1 ARG 17 2.120 -13.255 13.619 132 HH12 ARG 17 2HH1 ARG 17 1.944 -11.571 13.956 133 HH21 ARG 17 1HH2 ARG 17 -1.488 -11.614 13.674 134 HH22 ARG 17 2HH2 ARG 17 -0.086 -10.647 13.984 135 H GLY 18 H GLY 18 -4.810 -18.160 12.541 136 HA2 GLY 18 2HA GLY 18 -5.890 -17.536 9.902 137 HA3 GLY 18 3HA GLY 18 -6.736 -18.335 11.214 138 H GLU 19 H GLU 19 -5.453 -15.165 10.257 139 HA GLU 19 HA GLU 19 -7.728 -13.861 11.609 140 HB2 GLU 19 2HB GLU 19 -6.129 -12.087 12.386 141 HB3 GLU 19 3HB GLU 19 -5.894 -13.658 13.147 142 HG2 GLU 19 2HG GLU 19 -4.035 -14.117 11.615 143 HG3 GLU 19 3HG GLU 19 -4.259 -12.534 10.871 144 H ALA 20 H ALA 20 -8.589 -12.114 10.576 145 HA ALA 20 HA ALA 20 -7.339 -10.404 8.754 146 HB1 ALA 20 3HB ALA 20 -7.176 -12.354 7.286 147 HB2 ALA 20 1HB ALA 20 -8.254 -11.136 6.604 148 HB3 ALA 20 2HB ALA 20 -8.922 -12.578 7.372 149 H GLY 21 H GLY 21 -8.644 -8.673 8.234 150 HA2 GLY 21 2HA GLY 21 -11.411 -8.768 9.251 151 HA3 GLY 21 3HA GLY 21 -10.454 -7.314 9.016 152 H SER 22 H SER 22 -9.815 -6.957 6.609 153 HA SER 22 HA SER 22 -12.242 -7.358 4.964 154 HB2 SER 22 2HB SER 22 -10.180 -5.151 4.697 155 HB3 SER 22 3HB SER 22 -11.733 -5.257 3.870 156 HG SER 22 HG SER 22 -11.373 -5.022 6.684 157 H ARG 23 H ARG 23 -11.769 -7.179 2.525 158 HA ARG 23 HA ARG 23 -10.214 -9.348 1.713 159 HB2 ARG 23 2HB ARG 23 -12.072 -8.377 0.384 160 HB3 ARG 23 3HB ARG 23 -11.062 -6.982 0.018 161 HG2 ARG 23 2HG ARG 23 -9.424 -8.588 -1.038 162 HG3 ARG 23 3HG ARG 23 -10.659 -9.836 -0.866 163 HD2 ARG 23 2HD ARG 23 -10.947 -7.253 -2.403 164 HD3 ARG 23 3HD ARG 23 -10.670 -8.843 -3.109 165 HE ARG 23 HE ARG 23 -12.956 -9.138 -1.644 166 HH11 ARG 23 1HH1 ARG 23 -11.936 -7.030 -4.170 167 HH12 ARG 23 2HH1 ARG 23 -13.527 -6.850 -4.819 168 HH21 ARG 23 1HH2 ARG 23 -14.994 -8.911 -2.487 169 HH22 ARG 23 2HH2 ARG 23 -15.241 -7.934 -3.889 170 H ASP 24 H ASP 24 -9.432 -5.855 1.354 171 HA ASP 24 HA ASP 24 -6.939 -6.208 0.135 172 HB2 ASP 24 2HB ASP 24 -7.966 -3.947 1.859 173 HB3 ASP 24 3HB ASP 24 -6.464 -3.876 0.935 174 H GLU 25 H GLU 25 -7.811 -6.433 3.509 175 HA GLU 25 HA GLU 25 -5.165 -6.306 4.559 176 HB2 GLU 25 2HB GLU 25 -7.692 -7.532 5.696 177 HB3 GLU 25 3HB GLU 25 -6.189 -7.354 6.595 178 HG2 GLU 25 2HG GLU 25 -6.314 -4.928 6.352 179 HG3 GLU 25 3HG GLU 25 -7.797 -5.091 5.417 180 H ARG 26 H ARG 26 -7.042 -8.865 3.089 181 HA ARG 26 HA ARG 26 -5.521 -11.096 3.885 182 HB2 ARG 26 2HB ARG 26 -7.071 -10.539 1.358 183 HB3 ARG 26 3HB ARG 26 -6.301 -12.087 1.673 184 HG2 ARG 26 2HG ARG 26 -8.377 -10.835 3.466 185 HG3 ARG 26 3HG ARG 26 -8.732 -12.018 2.204 186 HD2 ARG 26 2HD ARG 26 -7.179 -13.605 3.333 187 HD3 ARG 26 3HD ARG 26 -6.977 -12.429 4.632 188 HE ARG 26 HE ARG 26 -9.682 -12.826 4.443 189 HH11 ARG 26 1HH1 ARG 26 -6.965 -14.904 4.931 190 HH12 ARG 26 2HH1 ARG 26 -7.840 -15.963 5.978 191 HH21 ARG 26 1HH2 ARG 26 -10.783 -14.215 5.753 192 HH22 ARG 26 2HH2 ARG 26 -9.985 -15.590 6.430 193 H ARG 27 H ARG 27 -5.068 -8.816 1.203 194 HA ARG 27 HA ARG 27 -2.970 -10.090 -0.123 195 HB2 ARG 27 2HB ARG 27 -3.644 -7.154 0.142 196 HB3 ARG 27 3HB ARG 27 -2.308 -7.720 -0.845 197 HG2 ARG 27 2HG ARG 27 -4.008 -7.474 -2.386 198 HG3 ARG 27 3HG ARG 27 -4.080 -9.195 -2.015 199 HD2 ARG 27 2HD ARG 27 -5.907 -8.714 -0.398 200 HD3 ARG 27 3HD ARG 27 -5.870 -7.028 -0.913 201 HE ARG 27 HE ARG 27 -6.489 -9.251 -2.751 202 HH11 ARG 27 1HH1 ARG 27 -7.136 -6.065 -1.566 203 HH12 ARG 27 2HH1 ARG 27 -8.449 -5.820 -2.655 204 HH21 ARG 27 1HH2 ARG 27 -8.132 -8.896 -4.153 205 HH22 ARG 27 2HH2 ARG 27 -8.998 -7.397 -4.117 206 H ALA 28 H ALA 28 -2.866 -7.867 2.631 207 HA ALA 28 HA ALA 28 -0.065 -7.538 2.744 208 HB1 ALA 28 3HB ALA 28 -0.450 -6.692 5.014 209 HB2 ALA 28 1HB ALA 28 -2.099 -7.319 4.969 210 HB3 ALA 28 2HB ALA 28 -1.617 -6.025 3.872 211 H LEU 29 H LEU 29 -2.169 -9.613 4.784 212 HA LEU 29 HA LEU 29 -0.006 -10.834 6.140 213 HB2 LEU 29 2HB LEU 29 -1.697 -12.443 6.973 214 HB3 LEU 29 3HB LEU 29 -2.149 -10.765 7.183 215 HG LEU 29 HG LEU 29 -3.461 -11.162 4.915 216 HD11 LEU 29 1HD1 LEU 29 -4.408 -13.406 4.764 217 HD12 LEU 29 2HD1 LEU 29 -3.353 -13.951 6.068 218 HD13 LEU 29 3HD1 LEU 29 -2.661 -13.433 4.532 219 HD21 LEU 29 3HD2 LEU 29 -5.456 -11.742 6.231 220 HD22 LEU 29 1HD2 LEU 29 -4.489 -10.478 6.995 221 HD23 LEU 29 2HD2 LEU 29 -4.420 -12.131 7.605 222 H ALA 30 H ALA 30 -1.710 -11.740 3.190 223 HA ALA 30 HA ALA 30 -0.716 -14.381 2.968 224 HB1 ALA 30 3HB ALA 30 -1.544 -12.513 0.744 225 HB2 ALA 30 1HB ALA 30 -2.627 -13.553 1.667 226 HB3 ALA 30 2HB ALA 30 -1.390 -14.266 0.631 227 H MET 31 H MET 31 0.484 -11.314 1.600 228 HA MET 31 HA MET 31 2.906 -12.619 0.625 229 HB2 MET 31 2HB MET 31 1.977 -9.744 0.467 230 HB3 MET 31 3HB MET 31 3.467 -10.347 -0.248 231 HG2 MET 31 2HG MET 31 0.715 -11.350 -0.945 232 HG3 MET 31 3HG MET 31 1.600 -10.129 -1.856 233 HE1 MET 31 3HE MET 31 3.680 -10.577 -3.337 234 HE2 MET 31 1HE MET 31 4.571 -12.097 -3.366 235 HE3 MET 31 2HE MET 31 4.563 -11.109 -1.905 236 H LYS 32 H LYS 32 1.991 -11.651 3.580 237 HA LYS 32 HA LYS 32 3.071 -11.267 5.533 238 HB2 LYS 32 2HB LYS 32 5.482 -12.073 3.896 239 HB3 LYS 32 3HB LYS 32 5.526 -11.827 5.633 240 HG2 LYS 32 2HG LYS 32 3.584 -13.780 4.451 241 HG3 LYS 32 3HG LYS 32 5.278 -14.225 4.649 242 HD2 LYS 32 2HD LYS 32 4.189 -15.003 6.600 243 HD3 LYS 32 3HD LYS 32 5.040 -13.538 7.086 244 HE2 LYS 32 2HE LYS 32 2.943 -12.272 6.938 245 HE3 LYS 32 3HE LYS 32 2.091 -13.727 6.424 246 HZ1 LYS 32 3HZ LYS 32 3.395 -13.255 9.047 247 HZ2 LYS 32 1HZ LYS 32 2.724 -14.731 8.572 248 HZ3 LYS 32 2HZ LYS 32 1.737 -13.370 8.747 249 H ILE 33 H ILE 33 2.660 -9.025 3.709 250 HA ILE 33 HA ILE 33 4.797 -7.223 3.610 251 HB ILE 33 HB ILE 33 1.850 -6.585 3.927 252 HG12 ILE 33 2HG1 ILE 33 2.318 -8.006 1.971 253 HG13 ILE 33 3HG1 ILE 33 1.827 -6.389 1.478 254 HG21 ILE 33 1HG2 ILE 33 2.435 -4.428 2.836 255 HG22 ILE 33 2HG2 ILE 33 4.141 -4.848 3.000 256 HG23 ILE 33 3HG2 ILE 33 3.145 -4.623 4.438 257 HD11 ILE 33 3HD1 ILE 33 4.660 -7.413 1.553 258 HD12 ILE 33 1HD1 ILE 33 4.143 -5.814 1.016 259 HD13 ILE 33 2HD1 ILE 33 3.654 -7.248 0.114 260 HA PRO 34 HA PRO 34 5.302 -6.715 8.038 261 HB2 PRO 34 2HB PRO 34 7.443 -5.067 8.005 262 HB3 PRO 34 3HB PRO 34 7.553 -6.773 7.559 263 HG2 PRO 34 2HG PRO 34 7.306 -4.372 5.772 264 HG3 PRO 34 3HG PRO 34 8.424 -5.742 5.645 265 HD2 PRO 34 2HD PRO 34 6.156 -5.593 4.177 266 HD3 PRO 34 3HD PRO 34 6.805 -7.142 4.754 267 H PHE 35 H PHE 35 3.721 -4.540 6.226 268 HA PHE 35 HA PHE 35 3.334 -2.753 8.496 269 HB2 PHE 35 2HB PHE 35 3.442 -0.721 6.992 270 HB3 PHE 35 3HB PHE 35 4.984 -1.495 7.327 271 HD1 PHE 35 HD1 PHE 35 6.152 -2.756 5.589 272 HD2 PHE 35 HD2 PHE 35 2.534 -0.663 4.764 273 HE1 PHE 35 HE1 PHE 35 6.625 -2.893 3.180 274 HE2 PHE 35 HE2 PHE 35 3.001 -0.801 2.354 275 HZ PHE 35 HZ PHE 35 5.047 -1.916 1.559 276 HA PRO 36 HA PRO 36 -0.850 -3.258 7.491 277 HB2 PRO 36 2HB PRO 36 -2.012 -1.125 8.649 278 HB3 PRO 36 3HB PRO 36 -1.197 -2.375 9.595 279 HG2 PRO 36 2HG PRO 36 -0.168 0.307 8.724 280 HG3 PRO 36 3HG PRO 36 -0.060 -0.465 10.319 281 HD2 PRO 36 2HD PRO 36 1.990 -0.484 8.528 282 HD3 PRO 36 3HD PRO 36 1.718 -1.797 9.691 283 H THR 37 H THR 37 -2.645 -2.641 6.262 284 HA THR 37 HA THR 37 -2.091 -1.277 3.839 285 HB THR 37 HB THR 37 -4.469 -1.639 3.290 286 HG1 THR 37 HG1 THR 37 -5.905 -2.277 4.812 287 HG21 THR 37 3HG2 THR 37 -2.904 -3.506 2.992 288 HG22 THR 37 1HG2 THR 37 -4.494 -4.096 3.478 289 HG23 THR 37 2HG2 THR 37 -3.183 -4.018 4.657 290 H ASP 38 H ASP 38 -3.990 -0.370 6.690 291 HA ASP 38 HA ASP 38 -5.185 1.964 5.842 292 HB2 ASP 38 2HB ASP 38 -4.850 2.679 8.328 293 HB3 ASP 38 3HB ASP 38 -5.823 1.257 7.964 294 H LYS 39 H LYS 39 -1.942 1.680 7.301 295 HA LYS 39 HA LYS 39 -1.102 4.311 7.100 296 HB2 LYS 39 2HB LYS 39 0.194 2.550 8.218 297 HB3 LYS 39 3HB LYS 39 0.520 1.787 6.668 298 HG2 LYS 39 2HG LYS 39 1.732 3.846 5.967 299 HG3 LYS 39 3HG LYS 39 1.508 4.480 7.599 300 HD2 LYS 39 2HD LYS 39 2.970 1.935 6.876 301 HD3 LYS 39 3HD LYS 39 3.727 3.466 7.314 302 HE2 LYS 39 2HE LYS 39 1.924 1.827 9.096 303 HE3 LYS 39 3HE LYS 39 3.680 1.881 9.187 304 HZ1 LYS 39 3HZ LYS 39 2.739 3.327 10.828 305 HZ2 LYS 39 1HZ LYS 39 1.824 4.145 9.666 306 HZ3 LYS 39 2HZ LYS 39 3.507 4.271 9.655 307 H ILE 40 H ILE 40 -0.736 1.734 4.669 308 HA ILE 40 HA ILE 40 0.656 3.077 2.703 309 HB ILE 40 HB ILE 40 -1.533 1.035 2.233 310 HG12 ILE 40 2HG1 ILE 40 1.432 0.586 2.703 311 HG13 ILE 40 3HG1 ILE 40 0.163 0.273 3.883 312 HG21 ILE 40 1HG2 ILE 40 0.846 1.811 0.537 313 HG22 ILE 40 2HG2 ILE 40 -0.850 2.134 0.177 314 HG23 ILE 40 3HG2 ILE 40 -0.256 0.474 0.198 315 HD11 ILE 40 3HD1 ILE 40 0.866 -1.777 2.825 316 HD12 ILE 40 1HD1 ILE 40 0.506 -1.110 1.232 317 HD13 ILE 40 2HD1 ILE 40 -0.801 -1.408 2.380 318 H VAL 41 H VAL 41 -2.840 3.080 3.270 319 HA VAL 41 HA VAL 41 -3.481 4.507 0.866 320 HB VAL 41 HB VAL 41 -5.165 4.070 3.344 321 HG11 VAL 41 1HG1 VAL 41 -5.979 4.908 0.559 322 HG12 VAL 41 2HG1 VAL 41 -6.001 5.926 1.998 323 HG13 VAL 41 3HG1 VAL 41 -7.081 4.537 1.884 324 HG21 VAL 41 3HG2 VAL 41 -4.465 1.962 2.338 325 HG22 VAL 41 1HG2 VAL 41 -5.039 2.507 0.760 326 HG23 VAL 41 2HG2 VAL 41 -6.188 2.235 2.070 327 H ASN 42 H ASN 42 -3.174 5.460 4.288 328 HA ASN 42 HA ASN 42 -4.069 8.147 3.769 329 HB2 ASN 42 2HB ASN 42 -2.950 6.814 6.233 330 HB3 ASN 42 3HB ASN 42 -3.366 8.526 6.191 331 HD21 ASN 42 1HD2 ASN 42 -4.596 5.288 6.158 332 HD22 ASN 42 2HD2 ASN 42 -6.252 5.700 6.410 333 H LEU 43 H LEU 43 -0.963 6.605 3.670 334 HA LEU 43 HA LEU 43 0.591 8.969 4.090 335 HB2 LEU 43 2HB LEU 43 1.271 6.362 2.731 336 HB3 LEU 43 3HB LEU 43 2.424 7.663 2.948 337 HG LEU 43 HG LEU 43 1.113 6.007 5.108 338 HD11 LEU 43 1HD1 LEU 43 3.431 5.382 5.626 339 HD12 LEU 43 2HD1 LEU 43 3.989 6.337 4.251 340 HD13 LEU 43 3HD1 LEU 43 2.971 4.921 3.988 341 HD21 LEU 43 3HD2 LEU 43 2.934 8.399 5.429 342 HD22 LEU 43 1HD2 LEU 43 2.398 7.325 6.723 343 HD23 LEU 43 2HD2 LEU 43 1.226 8.325 5.865 344 HA PRO 44 HA PRO 44 0.009 10.843 0.028 345 HB2 PRO 44 2HB PRO 44 1.999 12.700 0.260 346 HB3 PRO 44 3HB PRO 44 0.409 12.892 1.005 347 HG2 PRO 44 2HG PRO 44 2.978 11.958 2.234 348 HG3 PRO 44 3HG PRO 44 1.767 13.074 2.890 349 HD2 PRO 44 2HD PRO 44 1.903 10.483 3.652 350 HD3 PRO 44 3HD PRO 44 0.360 11.357 3.555 351 H VAL 45 H VAL 45 1.417 11.209 -1.918 352 HA VAL 45 HA VAL 45 2.761 8.901 -2.626 353 HB VAL 45 HB VAL 45 1.904 10.448 -4.293 354 HG11 VAL 45 1HG1 VAL 45 3.086 12.522 -4.866 355 HG12 VAL 45 2HG1 VAL 45 4.170 12.280 -3.495 356 HG13 VAL 45 3HG1 VAL 45 2.451 12.561 -3.220 357 HG21 VAL 45 3HG2 VAL 45 4.887 10.052 -4.608 358 HG22 VAL 45 1HG2 VAL 45 3.733 10.352 -5.909 359 HG23 VAL 45 2HG2 VAL 45 3.641 8.860 -4.976 360 H ASP 46 H ASP 46 4.170 11.865 -1.274 361 HA ASP 46 HA ASP 46 6.885 11.273 -1.577 362 HB2 ASP 46 2HB ASP 46 5.491 12.762 0.668 363 HB3 ASP 46 3HB ASP 46 7.226 12.803 0.355 364 H ASP 47 H ASP 47 5.003 10.821 1.453 365 HA ASP 47 HA ASP 47 6.935 9.251 2.749 366 HB2 ASP 47 2HB ASP 47 3.943 9.414 3.164 367 HB3 ASP 47 3HB ASP 47 5.039 8.566 4.252 368 H PHE 48 H PHE 48 4.455 8.355 0.449 369 HA PHE 48 HA PHE 48 4.320 5.589 0.922 370 HB2 PHE 48 2HB PHE 48 2.714 6.749 -0.506 371 HB3 PHE 48 3HB PHE 48 3.979 7.117 -1.672 372 HD1 PHE 48 HD2 PHE 48 2.034 4.356 -0.151 373 HD2 PHE 48 HD1 PHE 48 4.586 5.557 -3.345 374 HE1 PHE 48 HE2 PHE 48 1.556 2.250 -1.331 375 HE2 PHE 48 HE1 PHE 48 4.105 3.452 -4.524 376 HZ PHE 48 HZ PHE 48 2.587 1.793 -3.517 377 H ASN 49 H ASN 49 6.254 7.298 -1.568 378 HA ASN 49 HA ASN 49 7.690 5.004 -2.382 379 HB2 ASN 49 2HB ASN 49 8.329 7.944 -2.678 380 HB3 ASN 49 3HB ASN 49 9.299 6.665 -3.405 381 HD21 ASN 49 1HD2 ASN 49 6.309 8.395 -3.527 382 HD22 ASN 49 2HD2 ASN 49 5.761 7.746 -5.027 383 H GLU 50 H GLU 50 8.383 7.424 0.106 384 HA GLU 50 HA GLU 50 10.965 6.434 0.766 385 HB2 GLU 50 2HB GLU 50 8.994 8.268 2.047 386 HB3 GLU 50 3HB GLU 50 10.234 7.579 3.083 387 HG2 GLU 50 2HG GLU 50 10.924 9.743 2.276 388 HG3 GLU 50 3HG GLU 50 11.972 8.487 1.626 389 H LEU 51 H LEU 51 7.717 5.583 1.879 390 HA LEU 51 HA LEU 51 8.371 3.890 4.013 391 HB2 LEU 51 2HB LEU 51 6.078 4.619 3.463 392 HB3 LEU 51 3HB LEU 51 6.103 3.621 2.022 393 HG LEU 51 HG LEU 51 6.338 1.605 3.492 394 HD11 LEU 51 1HD1 LEU 51 5.808 1.824 5.870 395 HD12 LEU 51 2HD1 LEU 51 5.777 3.580 5.707 396 HD13 LEU 51 3HD1 LEU 51 7.285 2.697 5.463 397 HD21 LEU 51 3HD2 LEU 51 3.999 1.572 4.205 398 HD22 LEU 51 1HD2 LEU 51 4.166 2.260 2.589 399 HD23 LEU 51 2HD2 LEU 51 3.899 3.317 3.976 400 H LEU 52 H LEU 52 8.109 3.203 0.545 401 HA LEU 52 HA LEU 52 8.641 0.430 0.661 402 HB2 LEU 52 2HB LEU 52 9.203 2.386 -1.577 403 HB3 LEU 52 3HB LEU 52 9.178 0.637 -1.737 404 HG LEU 52 HG LEU 52 6.805 2.387 -1.040 405 HD11 LEU 52 1HD1 LEU 52 7.431 0.827 -3.550 406 HD12 LEU 52 2HD1 LEU 52 7.464 2.582 -3.379 407 HD13 LEU 52 3HD1 LEU 52 5.938 1.712 -3.225 408 HD21 LEU 52 3HD2 LEU 52 6.642 0.234 0.093 409 HD22 LEU 52 1HD2 LEU 52 6.959 -0.610 -1.425 410 HD23 LEU 52 2HD2 LEU 52 5.477 0.326 -1.227 411 H ALA 53 H ALA 53 10.736 3.148 1.001 412 HA ALA 53 HA ALA 53 13.169 1.640 0.448 413 HB1 ALA 53 3HB ALA 53 14.324 3.746 0.964 414 HB2 ALA 53 1HB ALA 53 12.783 4.474 1.414 415 HB3 ALA 53 2HB ALA 53 13.065 3.964 -0.250 416 H ARG 54 H ARG 54 11.102 1.785 3.017 417 HA ARG 54 HA ARG 54 13.155 1.713 5.114 418 HB2 ARG 54 2HB ARG 54 10.140 1.552 5.340 419 HB3 ARG 54 3HB ARG 54 11.266 1.669 6.682 420 HG2 ARG 54 2HG ARG 54 11.957 3.887 5.925 421 HG3 ARG 54 3HG ARG 54 10.832 3.773 4.567 422 HD2 ARG 54 2HD ARG 54 8.970 3.515 6.190 423 HD3 ARG 54 3HD ARG 54 10.123 3.753 7.503 424 HE ARG 54 HE ARG 54 10.407 5.939 5.858 425 HH11 ARG 54 1HH1 ARG 54 7.909 4.508 7.735 426 HH12 ARG 54 2HH1 ARG 54 7.073 6.002 7.971 427 HH21 ARG 54 1HH2 ARG 54 9.366 7.859 6.191 428 HH22 ARG 54 2HH2 ARG 54 7.900 7.891 7.112 429 H TYR 55 H TYR 55 10.413 -0.309 4.036 430 HA TYR 55 HA TYR 55 11.430 -2.540 5.640 431 HB2 TYR 55 2HB TYR 55 8.802 -2.167 4.179 432 HB3 TYR 55 3HB TYR 55 9.220 -3.574 5.154 433 HD1 TYR 55 HD1 TYR 55 9.476 -3.354 7.610 434 HD2 TYR 55 HD2 TYR 55 8.131 -0.097 5.215 435 HE1 TYR 55 HE1 TYR 55 8.663 -2.210 9.627 436 HE2 TYR 55 HE2 TYR 55 7.317 1.049 7.229 437 HH TYR 55 HH TYR 55 6.562 0.389 9.555 438 HA PRO 56 HA PRO 56 13.039 -4.722 2.128 439 HB2 PRO 56 2HB PRO 56 12.979 -7.266 3.062 440 HB3 PRO 56 3HB PRO 56 14.125 -6.063 3.660 441 HG2 PRO 56 2HG PRO 56 11.534 -6.974 4.869 442 HG3 PRO 56 3HG PRO 56 13.099 -6.693 5.658 443 HD2 PRO 56 2HD PRO 56 11.074 -4.883 5.728 444 HD3 PRO 56 3HD PRO 56 12.783 -4.404 5.746 445 H LEU 57 H LEU 57 11.727 -4.706 0.367 446 HA LEU 57 HA LEU 57 9.574 -6.728 0.239 447 HB2 LEU 57 2HB LEU 57 9.496 -3.942 -0.950 448 HB3 LEU 57 3HB LEU 57 8.265 -5.175 -1.157 449 HG LEU 57 HG LEU 57 9.001 -3.876 1.475 450 HD11 LEU 57 1HD1 LEU 57 7.897 -2.331 -0.088 451 HD12 LEU 57 2HD1 LEU 57 6.872 -2.720 1.291 452 HD13 LEU 57 3HD1 LEU 57 6.568 -3.476 -0.273 453 HD21 LEU 57 3HD2 LEU 57 6.772 -5.796 0.770 454 HD22 LEU 57 1HD2 LEU 57 6.987 -4.993 2.327 455 HD23 LEU 57 2HD2 LEU 57 8.184 -6.158 1.764 456 H THR 58 H THR 58 9.377 -7.846 -1.682 457 HA THR 58 HA THR 58 11.519 -7.579 -3.647 458 HB THR 58 HB THR 58 10.682 -9.619 -4.638 459 HG1 THR 58 HG1 THR 58 8.752 -10.600 -3.695 460 HG21 THR 58 3HG2 THR 58 12.018 -9.896 -2.599 461 HG22 THR 58 1HG2 THR 58 10.804 -11.168 -2.740 462 HG23 THR 58 2HG2 THR 58 10.550 -9.828 -1.623 463 H GLU 59 H GLU 59 11.006 -7.504 -5.993 464 HA GLU 59 HA GLU 59 9.573 -5.285 -6.744 465 HB2 GLU 59 2HB GLU 59 10.338 -7.729 -8.338 466 HB3 GLU 59 3HB GLU 59 9.509 -6.370 -9.081 467 HG2 GLU 59 2HG GLU 59 11.892 -6.220 -9.456 468 HG3 GLU 59 3HG GLU 59 11.346 -4.887 -8.442 469 H SER 60 H SER 60 8.336 -8.577 -6.446 470 HA SER 60 HA SER 60 5.772 -8.074 -7.573 471 HB2 SER 60 2HB SER 60 6.605 -10.365 -7.293 472 HB3 SER 60 3HB SER 60 6.607 -10.167 -5.542 473 HG SER 60 HG SER 60 4.645 -11.066 -6.978 474 H GLN 61 H GLN 61 7.038 -7.876 -4.261 475 HA GLN 61 HA GLN 61 4.543 -7.397 -3.005 476 HB2 GLN 61 2HB GLN 61 7.355 -6.757 -2.094 477 HB3 GLN 61 3HB GLN 61 5.928 -6.590 -1.078 478 HG2 GLN 61 2HG GLN 61 5.493 -8.986 -1.272 479 HG3 GLN 61 3HG GLN 61 6.896 -9.163 -2.325 480 HE21 GLN 61 1HE2 GLN 61 5.815 -8.686 0.935 481 HE22 GLN 61 2HE2 GLN 61 7.342 -8.941 1.696 482 H LEU 62 H LEU 62 7.059 -5.133 -4.204 483 HA LEU 62 HA LEU 62 5.853 -2.760 -3.316 484 HB2 LEU 62 2HB LEU 62 7.586 -3.275 -5.731 485 HB3 LEU 62 3HB LEU 62 6.994 -1.676 -5.330 486 HG LEU 62 HG LEU 62 8.145 -2.062 -3.031 487 HD11 LEU 62 1HD1 LEU 62 9.587 -4.113 -4.705 488 HD12 LEU 62 2HD1 LEU 62 8.591 -4.430 -3.284 489 HD13 LEU 62 3HD1 LEU 62 10.099 -3.531 -3.120 490 HD21 LEU 62 3HD2 LEU 62 10.276 -1.216 -3.914 491 HD22 LEU 62 1HD2 LEU 62 8.896 -0.410 -4.659 492 HD23 LEU 62 2HD2 LEU 62 9.773 -1.657 -5.546 493 H ALA 63 H ALA 63 5.262 -4.643 -6.254 494 HA ALA 63 HA ALA 63 3.460 -2.906 -7.524 495 HB1 ALA 63 3HB ALA 63 4.444 -4.884 -8.609 496 HB2 ALA 63 1HB ALA 63 2.684 -4.873 -8.748 497 HB3 ALA 63 2HB ALA 63 3.472 -5.931 -7.576 498 H LEU 64 H LEU 64 2.854 -5.558 -5.216 499 HA LEU 64 HA LEU 64 0.066 -5.336 -5.080 500 HB2 LEU 64 2HB LEU 64 1.328 -7.226 -4.166 501 HB3 LEU 64 3HB LEU 64 2.005 -6.187 -2.924 502 HG LEU 64 HG LEU 64 -0.324 -5.808 -2.063 503 HD11 LEU 64 1HD1 LEU 64 -1.034 -8.038 -3.973 504 HD12 LEU 64 2HD1 LEU 64 -1.523 -6.350 -4.130 505 HD13 LEU 64 3HD1 LEU 64 -2.099 -7.309 -2.770 506 HD21 LEU 64 3HD2 LEU 64 1.188 -7.435 -1.028 507 HD22 LEU 64 1HD2 LEU 64 0.589 -8.682 -2.120 508 HD23 LEU 64 2HD2 LEU 64 -0.493 -7.955 -0.932 509 H VAL 65 H VAL 65 2.569 -3.717 -3.121 510 HA VAL 65 HA VAL 65 0.934 -2.416 -1.286 511 HB VAL 65 HB VAL 65 3.511 -1.372 -2.500 512 HG11 VAL 65 1HG1 VAL 65 2.146 -0.602 0.085 513 HG12 VAL 65 2HG1 VAL 65 2.264 0.397 -1.363 514 HG13 VAL 65 3HG1 VAL 65 3.722 -0.027 -0.466 515 HG21 VAL 65 3HG2 VAL 65 3.069 -2.986 0.020 516 HG22 VAL 65 1HG2 VAL 65 4.615 -2.373 -0.569 517 HG23 VAL 65 2HG2 VAL 65 3.746 -3.601 -1.488 518 H ARG 66 H ARG 66 1.867 -1.384 -4.561 519 HA ARG 66 HA ARG 66 0.474 1.106 -4.468 520 HB2 ARG 66 2HB ARG 66 1.182 -0.521 -6.919 521 HB3 ARG 66 3HB ARG 66 0.792 1.194 -6.875 522 HG2 ARG 66 2HG ARG 66 2.813 1.582 -5.495 523 HG3 ARG 66 3HG ARG 66 3.220 -0.127 -5.667 524 HD2 ARG 66 2HD ARG 66 3.092 1.982 -7.816 525 HD3 ARG 66 3HD ARG 66 4.490 1.038 -7.302 526 HE ARG 66 HE ARG 66 2.181 -0.051 -8.779 527 HH11 ARG 66 1HH1 ARG 66 5.530 -0.139 -7.965 528 HH12 ARG 66 2HH1 ARG 66 5.883 -1.393 -9.097 529 HH21 ARG 66 1HH2 ARG 66 2.640 -1.647 -10.227 530 HH22 ARG 66 2HH2 ARG 66 4.257 -2.249 -10.357 531 H ASP 67 H ASP 67 -0.403 -2.144 -5.549 532 HA ASP 67 HA ASP 67 -2.890 -1.633 -6.719 533 HB2 ASP 67 2HB ASP 67 -1.799 -3.794 -6.914 534 HB3 ASP 67 3HB ASP 67 -1.901 -4.048 -5.178 535 H ILE 68 H ILE 68 -2.191 -2.519 -3.321 536 HA ILE 68 HA ILE 68 -4.818 -2.158 -2.329 537 HB ILE 68 HB ILE 68 -2.189 -1.844 -0.846 538 HG12 ILE 68 2HG1 ILE 68 -3.975 -4.283 -1.158 539 HG13 ILE 68 3HG1 ILE 68 -2.427 -4.044 -1.963 540 HG21 ILE 68 1HG2 ILE 68 -4.976 -2.366 0.211 541 HG22 ILE 68 2HG2 ILE 68 -4.060 -0.869 0.383 542 HG23 ILE 68 3HG2 ILE 68 -3.497 -2.339 1.175 543 HD11 ILE 68 3HD1 ILE 68 -2.180 -5.518 -0.070 544 HD12 ILE 68 1HD1 ILE 68 -2.868 -4.301 1.004 545 HD13 ILE 68 2HD1 ILE 68 -1.313 -4.010 0.222 546 H ARG 69 H ARG 69 -2.018 0.030 -2.407 547 HA ARG 69 HA ARG 69 -3.071 2.275 -1.167 548 HB2 ARG 69 2HB ARG 69 -0.724 2.083 -1.763 549 HB3 ARG 69 3HB ARG 69 -1.117 2.075 -3.471 550 HG2 ARG 69 2HG ARG 69 -1.926 4.462 -1.883 551 HG3 ARG 69 3HG ARG 69 -0.213 4.240 -2.227 552 HD2 ARG 69 2HD ARG 69 -0.816 4.005 -4.655 553 HD3 ARG 69 3HD ARG 69 -2.465 4.460 -4.229 554 HE ARG 69 HE ARG 69 -0.838 6.449 -3.217 555 HH11 ARG 69 1HH1 ARG 69 -1.513 5.136 -6.340 556 HH12 ARG 69 2HH1 ARG 69 -1.169 6.619 -7.156 557 HH21 ARG 69 1HH2 ARG 69 -0.418 8.339 -4.282 558 HH22 ARG 69 2HH2 ARG 69 -0.569 8.415 -6.004 559 H ARG 70 H ARG 70 -3.550 1.162 -4.495 560 HA ARG 70 HA ARG 70 -4.752 3.591 -5.392 561 HB2 ARG 70 2HB ARG 70 -3.674 1.911 -6.903 562 HB3 ARG 70 3HB ARG 70 -5.053 0.852 -6.631 563 HG2 ARG 70 2HG ARG 70 -6.552 2.482 -7.606 564 HG3 ARG 70 3HG ARG 70 -5.223 3.624 -7.796 565 HD2 ARG 70 2HD ARG 70 -4.110 1.958 -9.295 566 HD3 ARG 70 3HD ARG 70 -5.575 0.980 -9.204 567 HE ARG 70 HE ARG 70 -6.083 3.675 -10.026 568 HH11 ARG 70 1HH1 ARG 70 -5.214 0.528 -11.113 569 HH12 ARG 70 2HH1 ARG 70 -5.630 0.861 -12.757 570 HH21 ARG 70 1HH2 ARG 70 -6.639 4.086 -12.134 571 HH22 ARG 70 2HH2 ARG 70 -6.441 2.848 -13.326 572 H ARG 71 H ARG 71 -6.170 0.431 -4.399 573 HA ARG 71 HA ARG 71 -8.850 1.119 -4.900 574 HB2 ARG 71 2HB ARG 71 -7.733 -0.793 -2.846 575 HB3 ARG 71 3HB ARG 71 -9.440 -0.660 -3.245 576 HG2 ARG 71 2HG ARG 71 -8.849 -1.252 -5.606 577 HG3 ARG 71 3HG ARG 71 -7.207 -1.575 -5.043 578 HD2 ARG 71 2HD ARG 71 -8.226 -3.181 -3.371 579 HD3 ARG 71 3HD ARG 71 -9.748 -2.985 -4.240 580 HE ARG 71 HE ARG 71 -8.852 -4.163 -6.044 581 HH11 ARG 71 1HH1 ARG 71 -6.613 -3.835 -3.450 582 HH12 ARG 71 2HH1 ARG 71 -5.446 -4.889 -4.180 583 HH21 ARG 71 1HH2 ARG 71 -7.365 -5.578 -6.934 584 HH22 ARG 71 2HH2 ARG 71 -5.862 -5.853 -6.112 585 H GLY 72 H GLY 72 -7.096 1.230 -1.780 586 HA2 GLY 72 2HA GLY 72 -9.159 2.274 -0.220 587 HA3 GLY 72 3HA GLY 72 -7.451 2.490 0.112 588 H LYS 73 H LYS 73 -6.895 3.971 -2.314 589 HA LYS 73 HA LYS 73 -7.857 6.578 -1.428 590 HB2 LYS 73 2HB LYS 73 -5.431 6.097 -1.877 591 HB3 LYS 73 3HB LYS 73 -5.835 5.934 -3.580 592 HG2 LYS 73 2HG LYS 73 -6.490 8.246 -3.709 593 HG3 LYS 73 3HG LYS 73 -6.304 8.439 -1.964 594 HD2 LYS 73 2HD LYS 73 -4.098 7.827 -3.941 595 HD3 LYS 73 3HD LYS 73 -4.386 9.378 -3.153 596 HE2 LYS 73 2HE LYS 73 -3.661 6.793 -1.766 597 HE3 LYS 73 3HE LYS 73 -2.568 8.138 -2.074 598 HZ1 LYS 73 3HZ LYS 73 -3.434 8.135 0.198 599 HZ2 LYS 73 1HZ LYS 73 -5.010 8.286 -0.393 600 HZ3 LYS 73 2HZ LYS 73 -3.893 9.532 -0.639 601 H ASN 74 H ASN 74 -8.454 4.336 -3.999 602 HA ASN 74 HA ASN 74 -9.333 6.037 -6.052 603 HB2 ASN 74 2HB ASN 74 -8.916 3.608 -6.332 604 HB3 ASN 74 3HB ASN 74 -10.344 3.260 -5.368 605 HD21 ASN 74 1HD2 ASN 74 -9.164 4.423 -8.414 606 HD22 ASN 74 2HD2 ASN 74 -10.663 4.296 -9.264 607 H LYS 75 H LYS 75 -11.002 4.741 -3.241 608 HA LYS 75 HA LYS 75 -13.619 5.577 -3.782 609 HB2 LYS 75 2HB LYS 75 -12.869 4.069 -1.913 610 HB3 LYS 75 3HB LYS 75 -12.267 5.488 -1.069 611 HG2 LYS 75 2HG LYS 75 -14.409 4.874 -0.172 612 HG3 LYS 75 3HG LYS 75 -14.562 6.406 -1.036 613 HD2 LYS 75 2HD LYS 75 -15.574 5.315 -2.928 614 HD3 LYS 75 3HD LYS 75 -15.242 3.720 -2.246 615 HE2 LYS 75 2HE LYS 75 -17.107 5.794 -1.083 616 HE3 LYS 75 3HE LYS 75 -17.587 4.336 -1.948 617 HZ1 LYS 75 3HZ LYS 75 -16.506 3.021 -0.206 618 HZ2 LYS 75 1HZ LYS 75 -17.747 3.989 0.413 619 HZ3 LYS 75 2HZ LYS 75 -16.135 4.438 0.637 620 H VAL 76 H VAL 76 -10.992 7.266 -2.089 621 HA VAL 76 HA VAL 76 -12.408 9.670 -1.588 622 HB VAL 76 HB VAL 76 -9.412 9.284 -1.839 623 HG11 VAL 76 1HG1 VAL 76 -9.245 11.287 -0.422 624 HG12 VAL 76 2HG1 VAL 76 -10.998 11.466 -0.472 625 HG13 VAL 76 3HG1 VAL 76 -10.053 11.641 -1.949 626 HG21 VAL 76 3HG2 VAL 76 -10.351 7.765 -0.186 627 HG22 VAL 76 1HG2 VAL 76 -11.213 9.097 0.583 628 HG23 VAL 76 2HG2 VAL 76 -9.450 9.049 0.620 629 H ALA 77 H ALA 77 -10.222 8.690 -4.215 630 HA ALA 77 HA ALA 77 -10.170 11.133 -5.611 631 HB1 ALA 77 3HB ALA 77 -9.373 9.829 -7.514 632 HB2 ALA 77 1HB ALA 77 -9.875 8.338 -6.717 633 HB3 ALA 77 2HB ALA 77 -8.581 9.316 -6.024 634 H ALA 78 H ALA 78 -12.375 8.371 -5.844 635 HA ALA 78 HA ALA 78 -13.773 9.094 -8.155 636 HB1 ALA 78 3HB ALA 78 -13.915 6.880 -7.113 637 HB2 ALA 78 1HB ALA 78 -15.514 7.571 -7.392 638 HB3 ALA 78 2HB ALA 78 -14.824 7.571 -5.768 639 H GLN 79 H GLN 79 -14.727 9.688 -4.745 640 HA GLN 79 HA GLN 79 -17.087 11.095 -5.309 641 HB2 GLN 79 2HB GLN 79 -16.901 11.953 -2.972 642 HB3 GLN 79 3HB GLN 79 -16.706 10.211 -3.107 643 HG2 GLN 79 2HG GLN 79 -14.274 10.476 -2.956 644 HG3 GLN 79 3HG GLN 79 -14.480 12.217 -2.795 645 HE21 GLN 79 1HE2 GLN 79 -14.899 9.130 -1.244 646 HE22 GLN 79 2HE2 GLN 79 -15.109 9.748 0.356 647 H ASN 80 H ASN 80 -13.780 12.202 -5.369 648 HA ASN 80 HA ASN 80 -14.660 15.004 -5.636 649 HB2 ASN 80 2HB ASN 80 -11.907 13.852 -5.115 650 HB3 ASN 80 3HB ASN 80 -12.234 15.564 -5.359 651 HD21 ASN 80 1HD2 ASN 80 -12.531 12.881 -3.188 652 HD22 ASN 80 2HD2 ASN 80 -13.038 13.792 -1.815 653 H TYR 81 H TYR 81 -14.136 12.477 -7.649 654 HA TYR 81 HA TYR 81 -12.480 13.636 -9.662 655 HB2 TYR 81 2HB TYR 81 -12.794 11.203 -9.468 656 HB3 TYR 81 3HB TYR 81 -14.499 11.381 -9.869 657 HD1 TYR 81 HD1 TYR 81 -11.069 11.896 -11.236 658 HD2 TYR 81 HD2 TYR 81 -15.199 11.359 -12.129 659 HE1 TYR 81 HE1 TYR 81 -10.521 11.666 -13.621 660 HE2 TYR 81 HE2 TYR 81 -14.654 11.127 -14.515 661 HH TYR 81 HH TYR 81 -11.515 10.636 -15.650 662 H ARG 82 H ARG 82 -12.983 14.920 -11.377 663 HA ARG 82 HA ARG 82 -15.652 15.226 -12.386 664 HB2 ARG 82 2HB ARG 82 -14.758 16.990 -10.269 665 HB3 ARG 82 3HB ARG 82 -15.032 17.919 -11.735 666 HG2 ARG 82 2HG ARG 82 -17.061 16.036 -10.530 667 HG3 ARG 82 3HG ARG 82 -17.003 17.774 -10.215 668 HD2 ARG 82 2HD ARG 82 -17.337 16.491 -12.932 669 HD3 ARG 82 3HD ARG 82 -18.635 17.195 -11.966 670 HE ARG 82 HE ARG 82 -16.887 19.234 -12.187 671 HH11 ARG 82 1HH1 ARG 82 -18.251 17.122 -14.549 672 HH12 ARG 82 2HH1 ARG 82 -18.287 18.341 -15.772 673 HH21 ARG 82 1HH2 ARG 82 -16.912 20.776 -13.777 674 HH22 ARG 82 2HH2 ARG 82 -17.509 20.374 -15.351 675 H LYS 83 H LYS 83 -15.702 16.178 -14.422 676 HA LYS 83 HA LYS 83 -13.165 16.438 -15.762 677 HB2 LYS 83 2HB LYS 83 -16.027 16.465 -16.609 678 HB3 LYS 83 3HB LYS 83 -14.857 17.211 -17.683 679 HG2 LYS 83 2HG LYS 83 -15.259 14.930 -18.348 680 HG3 LYS 83 3HG LYS 83 -13.603 15.104 -17.774 681 HD2 LYS 83 2HD LYS 83 -14.172 14.064 -15.666 682 HD3 LYS 83 3HD LYS 83 -15.883 14.024 -16.108 683 HE2 LYS 83 2HE LYS 83 -14.840 11.830 -16.412 684 HE3 LYS 83 3HE LYS 83 -15.381 12.498 -17.952 685 HZ1 LYS 83 3HZ LYS 83 -13.216 11.546 -18.215 686 HZ2 LYS 83 1HZ LYS 83 -12.594 12.443 -16.925 687 HZ3 LYS 83 2HZ LYS 83 -13.071 13.221 -18.350 688 H ARG 84 H ARG 84 -12.113 18.264 -14.935 689 HA ARG 84 HA ARG 84 -13.291 20.889 -15.224 690 HB2 ARG 84 2HB ARG 84 -10.501 19.943 -14.557 691 HB3 ARG 84 3HB ARG 84 -10.871 21.644 -14.806 692 HG2 ARG 84 2HG ARG 84 -10.907 21.270 -12.473 693 HG3 ARG 84 3HG ARG 84 -12.583 21.449 -12.982 694 HD2 ARG 84 2HD ARG 84 -12.746 18.941 -13.026 695 HD3 ARG 84 3HD ARG 84 -11.134 18.883 -12.310 696 HE ARG 84 HE ARG 84 -13.190 20.417 -10.918 697 HH11 ARG 84 1HH1 ARG 84 -11.318 17.513 -11.077 698 HH12 ARG 84 2HH1 ARG 84 -11.622 17.115 -9.423 699 HH21 ARG 84 1HH2 ARG 84 -13.549 19.902 -8.819 700 HH22 ARG 84 2HH2 ARG 84 -12.863 18.463 -8.148 701 H LYS 85 H LYS 85 -13.824 20.055 -17.540 702 HA LYS 85 HA LYS 85 -13.561 20.062 -19.776 703 HB2 LYS 85 2HB LYS 85 -11.743 22.367 -19.077 704 HB3 LYS 85 3HB LYS 85 -12.189 21.951 -20.729 705 HG2 LYS 85 2HG LYS 85 -14.609 22.173 -19.966 706 HG3 LYS 85 3HG LYS 85 -13.966 22.935 -18.509 707 HD2 LYS 85 2HD LYS 85 -14.624 24.607 -20.183 708 HD3 LYS 85 3HD LYS 85 -12.887 24.657 -19.879 709 HE2 LYS 85 2HE LYS 85 -13.400 24.839 -22.277 710 HE3 LYS 85 3HE LYS 85 -12.470 23.387 -21.918 711 HZ1 LYS 85 3HZ LYS 85 -14.213 22.860 -23.446 712 HZ2 LYS 85 1HZ LYS 85 -15.392 23.532 -22.432 713 HZ3 LYS 85 2HZ LYS 85 -14.572 22.128 -21.964 714 H LEU 86 H LEU 86 -11.943 18.145 -18.449 715 HA LEU 86 HA LEU 86 -9.439 17.960 -19.837 716 HB2 LEU 86 2HB LEU 86 -11.080 15.911 -18.338 717 HB3 LEU 86 3HB LEU 86 -9.597 15.490 -19.168 718 HG LEU 86 HG LEU 86 -8.376 17.121 -17.711 719 HD11 LEU 86 1HD1 LEU 86 -10.187 18.583 -17.087 720 HD12 LEU 86 2HD1 LEU 86 -9.483 17.861 -15.639 721 HD13 LEU 86 3HD1 LEU 86 -11.019 17.261 -16.270 722 HD21 LEU 86 3HD2 LEU 86 -9.868 14.913 -16.289 723 HD22 LEU 86 1HD2 LEU 86 -8.388 15.689 -15.723 724 HD23 LEU 86 2HD2 LEU 86 -8.372 14.738 -17.207 725 H GLU 87 H GLU 87 -10.370 18.534 -21.964 726 HA GLU 87 HA GLU 87 -12.017 16.542 -23.295 727 HB2 GLU 87 2HB GLU 87 -10.786 19.104 -24.359 728 HB3 GLU 87 3HB GLU 87 -11.970 18.109 -25.200 729 HG2 GLU 87 2HG GLU 87 -13.611 18.565 -23.445 730 HG3 GLU 87 3HG GLU 87 -12.424 19.539 -22.582 731 H THR 88 H THR 88 -11.404 15.483 -25.274 732 HA THR 88 HA THR 88 -8.740 14.432 -25.160 733 HB THR 88 HB THR 88 -9.419 13.150 -27.234 734 HG1 THR 88 HG1 THR 88 -11.032 14.135 -28.236 735 HG21 THR 88 3HG2 THR 88 -10.987 11.686 -26.046 736 HG22 THR 88 1HG2 THR 88 -11.263 12.949 -24.843 737 HG23 THR 88 2HG2 THR 88 -9.673 12.198 -24.988 738 H ILE 89 H ILE 89 -7.331 16.125 -25.582 739 HA ILE 89 HA ILE 89 -7.316 17.366 -28.227 740 HB ILE 89 HB ILE 89 -5.281 17.565 -25.985 741 HG12 ILE 89 2HG1 ILE 89 -7.442 18.459 -25.272 742 HG13 ILE 89 3HG1 ILE 89 -6.298 19.772 -25.516 743 HG21 ILE 89 1HG2 ILE 89 -4.472 19.560 -27.179 744 HG22 ILE 89 2HG2 ILE 89 -5.614 19.235 -28.483 745 HG23 ILE 89 3HG2 ILE 89 -4.309 18.097 -28.151 746 HD11 ILE 89 3HD1 ILE 89 -8.479 20.369 -26.363 747 HD12 ILE 89 1HD1 ILE 89 -8.488 18.951 -27.411 748 HD13 ILE 89 2HD1 ILE 89 -7.326 20.247 -27.691 749 H VAL 90 H VAL 90 -5.415 15.077 -26.308 750 HA VAL 90 HA VAL 90 -3.687 14.329 -28.482 751 HB VAL 90 HB VAL 90 -4.185 12.878 -25.865 752 HG11 VAL 90 1HG1 VAL 90 -2.028 11.807 -26.268 753 HG12 VAL 90 2HG1 VAL 90 -1.881 12.658 -27.807 754 HG13 VAL 90 3HG1 VAL 90 -3.157 11.461 -27.577 755 HG21 VAL 90 3HG2 VAL 90 -2.156 13.992 -25.058 756 HG22 VAL 90 1HG2 VAL 90 -3.414 15.160 -25.464 757 HG23 VAL 90 2HG2 VAL 90 -2.055 14.907 -26.563 758 H GLN 91 H GLN 91 -5.097 13.736 -30.146 759 HA GLN 91 HA GLN 91 -7.119 11.728 -29.783 760 HB2 GLN 91 2HB GLN 91 -5.992 13.054 -32.257 761 HB3 GLN 91 3HB GLN 91 -7.305 11.883 -32.292 762 HG2 GLN 91 2HG GLN 91 -7.366 14.498 -30.789 763 HG3 GLN 91 3HG GLN 91 -8.089 14.216 -32.374 764 HE21 GLN 91 1HE2 GLN 91 -8.994 11.531 -31.742 765 HE22 GLN 91 2HE2 GLN 91 -10.338 11.715 -30.681 Start of MODEL 3 1 H1 MET 1 1H MET 1 21.428 -56.604 9.081 2 H2 MET 1 2H MET 1 22.599 -55.392 8.930 3 H3 MET 1 3H MET 1 22.785 -56.858 8.112 4 HA MET 1 HA MET 1 22.081 -55.063 6.639 5 HB2 MET 1 2HB MET 1 21.504 -57.501 6.284 6 HB3 MET 1 3HB MET 1 19.929 -57.169 6.991 7 HG2 MET 1 2HG MET 1 19.820 -57.178 4.567 8 HG3 MET 1 3HG MET 1 19.465 -55.570 5.202 9 HE1 MET 1 3HE MET 1 21.314 -54.905 1.774 10 HE2 MET 1 1HE MET 1 19.840 -54.618 2.697 11 HE3 MET 1 2HE MET 1 20.229 -56.247 2.145 12 H GLY 2 H GLY 2 20.974 -53.181 6.490 13 HA2 GLY 2 2HA GLY 2 19.152 -52.473 8.645 14 HA3 GLY 2 3HA GLY 2 19.794 -51.394 7.419 15 H HIS 3 H HIS 3 17.085 -53.048 8.487 16 HA HIS 3 HA HIS 3 15.650 -52.547 5.951 17 HB2 HIS 3 2HB HIS 3 14.066 -54.382 6.730 18 HB3 HIS 3 3HB HIS 3 15.667 -54.908 6.222 19 HD1 HIS 3 HD1 HIS 3 13.686 -54.274 9.387 20 HD2 HIS 3 HD2 HIS 3 17.059 -56.334 8.107 21 HE1 HIS 3 HE1 HIS 3 14.412 -55.659 11.349 22 HE2 HIS 3 HE2 HIS 3 16.350 -57.014 10.498 23 H HIS 4 H HIS 4 14.248 -50.929 6.097 24 HA HIS 4 HA HIS 4 12.796 -49.373 6.872 25 HB2 HIS 4 2HB HIS 4 12.266 -51.491 8.955 26 HB3 HIS 4 3HB HIS 4 11.390 -49.965 8.916 27 HD1 HIS 4 HD1 HIS 4 9.634 -49.652 7.076 28 HD2 HIS 4 HD2 HIS 4 11.623 -53.292 6.896 29 HE1 HIS 4 HE1 HIS 4 8.319 -51.056 5.464 30 HE2 HIS 4 HE2 HIS 4 9.411 -53.315 5.561 31 H HIS 5 H HIS 5 15.620 -49.975 8.363 32 HA HIS 5 HA HIS 5 15.261 -48.289 10.694 33 HB2 HIS 5 2HB HIS 5 16.805 -50.202 10.805 34 HB3 HIS 5 3HB HIS 5 17.787 -49.490 9.527 35 HD1 HIS 5 HD1 HIS 5 19.595 -47.928 10.250 36 HD2 HIS 5 HD2 HIS 5 16.797 -48.594 13.250 37 HE1 HIS 5 HE1 HIS 5 20.495 -46.761 12.278 38 HE2 HIS 5 HE2 HIS 5 18.690 -47.013 14.014 39 H HIS 6 H HIS 6 15.205 -46.145 10.529 40 HA HIS 6 HA HIS 6 17.173 -44.708 8.954 41 HB2 HIS 6 2HB HIS 6 15.458 -43.351 7.763 42 HB3 HIS 6 3HB HIS 6 15.468 -45.040 7.269 43 HD1 HIS 6 HD1 HIS 6 13.367 -46.417 7.729 44 HD2 HIS 6 HD2 HIS 6 13.157 -42.546 9.224 45 HE1 HIS 6 HE1 HIS 6 10.968 -46.079 8.385 46 HE2 HIS 6 HE2 HIS 6 10.836 -43.685 9.143 47 H HIS 7 H HIS 7 16.892 -42.270 9.255 48 HA HIS 7 HA HIS 7 16.637 -41.772 12.075 49 HB2 HIS 7 2HB HIS 7 17.395 -40.052 9.725 50 HB3 HIS 7 3HB HIS 7 17.159 -39.355 11.326 51 HD1 HIS 7 HD1 HIS 7 18.956 -39.798 13.085 52 HD2 HIS 7 HD2 HIS 7 19.665 -41.729 9.475 53 HE1 HIS 7 HE1 HIS 7 21.318 -40.638 13.224 54 HE2 HIS 7 HE2 HIS 7 21.769 -41.659 10.975 55 H HIS 8 H HIS 8 15.071 -40.756 13.180 56 HA HIS 8 HA HIS 8 12.861 -39.464 11.742 57 HB2 HIS 8 2HB HIS 8 11.222 -40.718 13.187 58 HB3 HIS 8 3HB HIS 8 12.047 -41.705 11.989 59 HD1 HIS 8 HD1 HIS 8 13.815 -43.422 12.877 60 HD2 HIS 8 HD2 HIS 8 11.719 -41.398 15.843 61 HE1 HIS 8 HE1 HIS 8 14.263 -44.681 15.001 62 HE2 HIS 8 HE2 HIS 8 13.066 -43.389 16.792 63 H SER 9 H SER 9 12.047 -37.696 12.775 64 HA SER 9 HA SER 9 12.537 -37.271 15.625 65 HB2 SER 9 2HB SER 9 13.701 -35.418 13.525 66 HB3 SER 9 3HB SER 9 13.677 -35.098 15.259 67 HG SER 9 HG SER 9 15.252 -36.495 15.559 68 H HIS 10 H HIS 10 11.788 -34.889 16.191 69 HA HIS 10 HA HIS 10 9.271 -34.325 14.739 70 HB2 HIS 10 2HB HIS 10 9.821 -34.040 17.704 71 HB3 HIS 10 3HB HIS 10 8.336 -33.540 16.903 72 HD1 HIS 10 HD1 HIS 10 10.039 -36.475 18.349 73 HD2 HIS 10 HD2 HIS 10 6.717 -35.715 15.974 74 HE1 HIS 10 HE1 HIS 10 8.698 -38.592 18.373 75 HE2 HIS 10 HE2 HIS 10 6.612 -38.050 17.081 76 H MET 11 H MET 11 9.028 -32.310 13.959 77 HA MET 11 HA MET 11 10.269 -30.030 15.263 78 HB2 MET 11 2HB MET 11 11.390 -29.238 13.185 79 HB3 MET 11 3HB MET 11 12.093 -30.715 13.827 80 HG2 MET 11 2HG MET 11 11.992 -30.958 11.479 81 HG3 MET 11 3HG MET 11 10.727 -31.986 12.150 82 HE1 MET 11 3HE MET 11 10.782 -31.232 9.075 83 HE2 MET 11 1HE MET 11 9.084 -30.842 8.806 84 HE3 MET 11 2HE MET 11 9.522 -32.211 9.829 85 H ALA 12 H ALA 12 9.618 -27.924 14.130 86 HA ALA 12 HA ALA 12 7.243 -28.050 12.475 87 HB1 ALA 12 3HB ALA 12 6.353 -28.494 14.734 88 HB2 ALA 12 1HB ALA 12 5.737 -26.990 14.046 89 HB3 ALA 12 2HB ALA 12 7.001 -26.946 15.276 90 H LYS 13 H LYS 13 6.487 -25.964 11.757 91 HA LYS 13 HA LYS 13 8.607 -23.954 11.666 92 HB2 LYS 13 2HB LYS 13 6.043 -24.331 10.120 93 HB3 LYS 13 3HB LYS 13 7.021 -22.879 9.967 94 HG2 LYS 13 2HG LYS 13 8.888 -24.181 9.140 95 HG3 LYS 13 3HG LYS 13 7.983 -25.678 9.379 96 HD2 LYS 13 2HD LYS 13 7.979 -24.910 7.018 97 HD3 LYS 13 3HD LYS 13 6.361 -25.028 7.711 98 HE2 LYS 13 2HE LYS 13 6.564 -22.992 6.402 99 HE3 LYS 13 3HE LYS 13 6.367 -22.591 8.106 100 HZ1 LYS 13 3HZ LYS 13 8.070 -21.229 7.114 101 HZ2 LYS 13 1HZ LYS 13 8.921 -22.592 6.591 102 HZ3 LYS 13 2HZ LYS 13 8.780 -22.267 8.241 103 HA PRO 14 HA PRO 14 6.479 -21.194 14.511 104 HB2 PRO 14 2HB PRO 14 7.740 -18.875 13.867 105 HB3 PRO 14 3HB PRO 14 8.521 -20.154 14.804 106 HG2 PRO 14 2HG PRO 14 8.762 -19.535 11.880 107 HG3 PRO 14 3HG PRO 14 10.037 -19.947 13.042 108 HD2 PRO 14 2HD PRO 14 8.992 -21.760 11.308 109 HD3 PRO 14 3HD PRO 14 9.594 -22.210 12.917 110 H THR 15 H THR 15 4.364 -20.870 13.968 111 HA THR 15 HA THR 15 3.749 -19.194 11.605 112 HB THR 15 HB THR 15 2.811 -21.485 11.507 113 HG1 THR 15 HG1 THR 15 0.749 -20.822 10.917 114 HG21 THR 15 3HG2 THR 15 1.223 -20.648 13.943 115 HG22 THR 15 1HG2 THR 15 2.491 -21.875 13.906 116 HG23 THR 15 2HG2 THR 15 0.989 -22.131 13.016 117 H ALA 16 H ALA 16 1.510 -18.053 11.895 118 HA ALA 16 HA ALA 16 1.124 -17.029 14.609 119 HB1 ALA 16 3HB ALA 16 2.835 -15.569 13.628 120 HB2 ALA 16 1HB ALA 16 1.331 -14.697 13.925 121 HB3 ALA 16 2HB ALA 16 1.753 -15.197 12.285 122 H ARG 17 H ARG 17 -0.690 -15.241 14.502 123 HA ARG 17 HA ARG 17 -3.056 -16.494 13.581 124 HB2 ARG 17 2HB ARG 17 -2.416 -13.826 14.796 125 HB3 ARG 17 3HB ARG 17 -4.024 -14.112 14.152 126 HG2 ARG 17 2HG ARG 17 -2.850 -16.068 16.090 127 HG3 ARG 17 3HG ARG 17 -3.522 -14.543 16.675 128 HD2 ARG 17 2HD ARG 17 -4.986 -16.569 14.973 129 HD3 ARG 17 3HD ARG 17 -5.184 -16.360 16.715 130 HE ARG 17 HE ARG 17 -5.705 -13.893 15.785 131 HH11 ARG 17 1HH1 ARG 17 -6.937 -16.986 14.877 132 HH12 ARG 17 2HH1 ARG 17 -8.452 -16.338 14.358 133 HH21 ARG 17 1HH2 ARG 17 -7.631 -13.089 15.135 134 HH22 ARG 17 2HH2 ARG 17 -8.853 -14.148 14.518 135 H GLY 18 H GLY 18 -4.391 -16.123 11.870 136 HA2 GLY 18 2HA GLY 18 -3.629 -14.045 9.905 137 HA3 GLY 18 3HA GLY 18 -3.950 -15.695 9.390 138 H GLU 19 H GLU 19 -5.387 -12.821 10.821 139 HA GLU 19 HA GLU 19 -8.080 -13.880 10.723 140 HB2 GLU 19 2HB GLU 19 -8.710 -11.652 11.620 141 HB3 GLU 19 3HB GLU 19 -7.473 -12.453 12.579 142 HG2 GLU 19 2HG GLU 19 -5.763 -11.065 11.387 143 HG3 GLU 19 3HG GLU 19 -7.092 -10.184 10.634 144 H ALA 20 H ALA 20 -9.610 -11.704 9.952 145 HA ALA 20 HA ALA 20 -8.876 -11.076 7.193 146 HB1 ALA 20 3HB ALA 20 -10.965 -12.015 6.288 147 HB2 ALA 20 1HB ALA 20 -11.352 -12.669 7.880 148 HB3 ALA 20 2HB ALA 20 -9.938 -13.256 7.004 149 H GLY 21 H GLY 21 -10.656 -9.725 6.114 150 HA2 GLY 21 2HA GLY 21 -12.650 -8.342 7.437 151 HA3 GLY 21 3HA GLY 21 -11.172 -7.461 7.796 152 H SER 22 H SER 22 -10.348 -6.083 6.276 153 HA SER 22 HA SER 22 -11.880 -5.556 3.885 154 HB2 SER 22 2HB SER 22 -9.242 -4.378 4.826 155 HB3 SER 22 3HB SER 22 -10.191 -3.783 3.463 156 HG SER 22 HG SER 22 -10.974 -2.553 5.014 157 H ARG 23 H ARG 23 -11.432 -6.162 1.806 158 HA ARG 23 HA ARG 23 -9.828 -8.411 1.336 159 HB2 ARG 23 2HB ARG 23 -10.243 -7.971 -1.076 160 HB3 ARG 23 3HB ARG 23 -11.695 -7.954 -0.087 161 HG2 ARG 23 2HG ARG 23 -11.490 -5.431 -0.050 162 HG3 ARG 23 3HG ARG 23 -10.254 -5.608 -1.299 163 HD2 ARG 23 2HD ARG 23 -12.506 -5.150 -2.226 164 HD3 ARG 23 3HD ARG 23 -11.840 -6.690 -2.776 165 HE ARG 23 HE ARG 23 -13.259 -7.675 -0.913 166 HH11 ARG 23 1HH1 ARG 23 -14.174 -4.884 -2.706 167 HH12 ARG 23 2HH1 ARG 23 -15.852 -5.072 -2.342 168 HH21 ARG 23 1HH2 ARG 23 -15.403 -7.912 -0.465 169 HH22 ARG 23 2HH2 ARG 23 -16.542 -6.771 -1.089 170 H ASP 24 H ASP 24 -9.061 -4.997 1.003 171 HA ASP 24 HA ASP 24 -6.539 -5.293 -0.243 172 HB2 ASP 24 2HB ASP 24 -6.099 -3.032 0.946 173 HB3 ASP 24 3HB ASP 24 -7.404 -3.111 -0.237 174 H GLU 25 H GLU 25 -7.368 -4.951 3.240 175 HA GLU 25 HA GLU 25 -4.878 -5.479 4.351 176 HB2 GLU 25 2HB GLU 25 -7.648 -6.186 5.331 177 HB3 GLU 25 3HB GLU 25 -6.207 -6.456 6.299 178 HG2 GLU 25 2HG GLU 25 -7.021 -3.757 5.230 179 HG3 GLU 25 3HG GLU 25 -7.479 -4.363 6.820 180 H ARG 26 H ARG 26 -7.309 -7.775 3.170 181 HA ARG 26 HA ARG 26 -6.107 -10.146 4.061 182 HB2 ARG 26 2HB ARG 26 -8.429 -9.599 2.807 183 HB3 ARG 26 3HB ARG 26 -7.514 -10.197 1.431 184 HG2 ARG 26 2HG ARG 26 -7.865 -11.718 4.013 185 HG3 ARG 26 3HG ARG 26 -8.897 -11.916 2.599 186 HD2 ARG 26 2HD ARG 26 -7.119 -12.806 1.308 187 HD3 ARG 26 3HD ARG 26 -5.911 -12.285 2.482 188 HE ARG 26 HE ARG 26 -7.424 -13.983 3.916 189 HH11 ARG 26 1HH1 ARG 26 -5.978 -14.314 0.804 190 HH12 ARG 26 2HH1 ARG 26 -5.625 -15.993 1.031 191 HH21 ARG 26 1HH2 ARG 26 -6.989 -16.148 4.172 192 HH22 ARG 26 2HH2 ARG 26 -6.197 -17.009 2.896 193 H ARG 27 H ARG 27 -5.640 -8.303 1.052 194 HA ARG 27 HA ARG 27 -3.717 -9.930 -0.183 195 HB2 ARG 27 2HB ARG 27 -3.951 -6.911 -0.157 196 HB3 ARG 27 3HB ARG 27 -2.881 -7.803 -1.227 197 HG2 ARG 27 2HG ARG 27 -4.790 -8.862 -2.295 198 HG3 ARG 27 3HG ARG 27 -5.885 -8.036 -1.182 199 HD2 ARG 27 2HD ARG 27 -5.350 -5.909 -2.080 200 HD3 ARG 27 3HD ARG 27 -3.963 -6.549 -2.961 201 HE ARG 27 HE ARG 27 -6.537 -7.627 -3.733 202 HH11 ARG 27 1HH1 ARG 27 -4.146 -5.229 -4.295 203 HH12 ARG 27 2HH1 ARG 27 -4.616 -4.973 -5.934 204 HH21 ARG 27 1HH2 ARG 27 -7.150 -7.295 -5.847 205 HH22 ARG 27 2HH2 ARG 27 -6.277 -6.158 -6.819 206 H ALA 28 H ALA 28 -3.307 -7.330 2.197 207 HA ALA 28 HA ALA 28 -0.518 -7.251 2.294 208 HB1 ALA 28 3HB ALA 28 -1.964 -5.544 3.283 209 HB2 ALA 28 1HB ALA 28 -0.781 -6.139 4.446 210 HB3 ALA 28 2HB ALA 28 -2.457 -6.683 4.534 211 H LEU 29 H LEU 29 -2.714 -9.045 4.494 212 HA LEU 29 HA LEU 29 -0.569 -10.314 5.867 213 HB2 LEU 29 2HB LEU 29 -2.330 -11.723 6.891 214 HB3 LEU 29 3HB LEU 29 -2.624 -10.002 7.015 215 HG LEU 29 HG LEU 29 -4.110 -10.403 4.872 216 HD11 LEU 29 1HD1 LEU 29 -4.109 -13.136 6.149 217 HD12 LEU 29 2HD1 LEU 29 -3.518 -12.734 4.536 218 HD13 LEU 29 3HD1 LEU 29 -5.234 -12.579 4.910 219 HD21 LEU 29 3HD2 LEU 29 -4.909 -9.574 7.034 220 HD22 LEU 29 1HD2 LEU 29 -5.019 -11.233 7.628 221 HD23 LEU 29 2HD2 LEU 29 -6.052 -10.698 6.299 222 H ALA 30 H ALA 30 -2.341 -11.170 2.982 223 HA ALA 30 HA ALA 30 -1.599 -13.926 2.914 224 HB1 ALA 30 3HB ALA 30 -2.421 -12.125 0.632 225 HB2 ALA 30 1HB ALA 30 -3.516 -13.040 1.668 226 HB3 ALA 30 2HB ALA 30 -2.390 -13.889 0.610 227 H MET 31 H MET 31 -0.148 -10.977 1.596 228 HA MET 31 HA MET 31 2.106 -12.517 0.494 229 HB2 MET 31 2HB MET 31 1.285 -9.623 0.172 230 HB3 MET 31 3HB MET 31 2.752 -10.303 -0.518 231 HG2 MET 31 2HG MET 31 -0.029 -11.282 -1.129 232 HG3 MET 31 3HG MET 31 0.865 -10.128 -2.116 233 HE1 MET 31 3HE MET 31 3.816 -11.206 -1.948 234 HE2 MET 31 1HE MET 31 3.085 -10.731 -3.480 235 HE3 MET 31 2HE MET 31 3.901 -12.288 -3.335 236 H LYS 32 H LYS 32 1.376 -11.430 3.407 237 HA LYS 32 HA LYS 32 2.440 -10.725 5.264 238 HB2 LYS 32 2HB LYS 32 4.832 -11.836 3.789 239 HB3 LYS 32 3HB LYS 32 4.869 -11.320 5.472 240 HG2 LYS 32 2HG LYS 32 3.057 -12.981 5.943 241 HG3 LYS 32 3HG LYS 32 3.242 -13.569 4.290 242 HD2 LYS 32 2HD LYS 32 5.530 -14.217 4.722 243 HD3 LYS 32 3HD LYS 32 5.474 -13.486 6.329 244 HE2 LYS 32 2HE LYS 32 3.864 -15.865 5.379 245 HE3 LYS 32 3HE LYS 32 5.233 -15.902 6.492 246 HZ1 LYS 32 3HZ LYS 32 3.876 -14.439 7.985 247 HZ2 LYS 32 1HZ LYS 32 3.258 -16.002 7.780 248 HZ3 LYS 32 2HZ LYS 32 2.558 -14.702 6.960 249 H ILE 33 H ILE 33 1.833 -8.541 4.566 250 HA ILE 33 HA ILE 33 4.138 -6.817 3.938 251 HB ILE 33 HB ILE 33 1.173 -6.183 3.924 252 HG12 ILE 33 2HG1 ILE 33 1.848 -7.655 2.072 253 HG13 ILE 33 3HG1 ILE 33 1.431 -6.051 1.478 254 HG21 ILE 33 1HG2 ILE 33 3.522 -4.452 3.139 255 HG22 ILE 33 2HG2 ILE 33 2.453 -4.209 4.521 256 HG23 ILE 33 3HG2 ILE 33 1.824 -4.047 2.882 257 HD11 ILE 33 3HD1 ILE 33 4.222 -7.108 1.896 258 HD12 ILE 33 1HD1 ILE 33 3.804 -5.498 1.306 259 HD13 ILE 33 2HD1 ILE 33 3.391 -6.921 0.351 260 HA PRO 34 HA PRO 34 4.143 -6.025 8.354 261 HB2 PRO 34 2HB PRO 34 6.388 -4.530 8.458 262 HB3 PRO 34 3HB PRO 34 6.429 -6.272 8.161 263 HG2 PRO 34 2HG PRO 34 6.639 -4.014 6.200 264 HG3 PRO 34 3HG PRO 34 7.582 -5.512 6.287 265 HD2 PRO 34 2HD PRO 34 5.476 -5.149 4.573 266 HD3 PRO 34 3HD PRO 34 5.968 -6.737 5.198 267 H PHE 35 H PHE 35 2.674 -4.125 6.389 268 HA PHE 35 HA PHE 35 2.198 -2.092 8.362 269 HB2 PHE 35 2HB PHE 35 2.554 -0.183 6.735 270 HB3 PHE 35 3HB PHE 35 4.014 -0.949 7.341 271 HD1 PHE 35 HD1 PHE 35 5.430 -2.266 5.879 272 HD2 PHE 35 HD2 PHE 35 1.910 -0.382 4.396 273 HE1 PHE 35 HE1 PHE 35 6.228 -2.592 3.576 274 HE2 PHE 35 HE2 PHE 35 2.705 -0.713 2.094 275 HZ PHE 35 HZ PHE 35 4.863 -1.813 1.679 276 HA PRO 36 HA PRO 36 -1.865 -2.606 6.793 277 HB2 PRO 36 2HB PRO 36 -3.082 -0.367 7.723 278 HB3 PRO 36 3HB PRO 36 -2.550 -1.676 8.788 279 HG2 PRO 36 2HG PRO 36 -1.168 0.914 8.143 280 HG3 PRO 36 3HG PRO 36 -1.423 0.152 9.726 281 HD2 PRO 36 2HD PRO 36 0.923 -0.051 8.402 282 HD3 PRO 36 3HD PRO 36 0.297 -1.373 9.409 283 H THR 37 H THR 37 -3.425 -1.900 5.289 284 HA THR 37 HA THR 37 -2.384 -0.698 2.955 285 HB THR 37 HB THR 37 -4.641 -0.869 2.039 286 HG1 THR 37 HG1 THR 37 -5.989 -2.001 4.027 287 HG21 THR 37 3HG2 THR 37 -3.286 -2.908 2.171 288 HG22 THR 37 1HG2 THR 37 -4.997 -3.277 2.382 289 HG23 THR 37 2HG2 THR 37 -3.926 -3.240 3.782 290 H ASP 38 H ASP 38 -4.633 0.573 5.413 291 HA ASP 38 HA ASP 38 -5.261 3.030 4.351 292 HB2 ASP 38 2HB ASP 38 -4.671 2.275 7.215 293 HB3 ASP 38 3HB ASP 38 -5.307 3.852 6.756 294 H LYS 39 H LYS 39 -2.276 2.168 6.076 295 HA LYS 39 HA LYS 39 -1.054 4.713 5.994 296 HB2 LYS 39 2HB LYS 39 -0.199 2.922 7.424 297 HB3 LYS 39 3HB LYS 39 0.199 1.949 6.015 298 HG2 LYS 39 2HG LYS 39 1.855 3.627 5.328 299 HG3 LYS 39 3HG LYS 39 1.460 4.590 6.751 300 HD2 LYS 39 2HD LYS 39 2.558 1.773 6.800 301 HD3 LYS 39 3HD LYS 39 3.506 3.239 7.054 302 HE2 LYS 39 2HE LYS 39 1.195 2.317 8.771 303 HE3 LYS 39 3HE LYS 39 2.903 2.155 9.174 304 HZ1 LYS 39 3HZ LYS 39 3.099 4.562 9.145 305 HZ2 LYS 39 1HZ LYS 39 1.929 4.066 10.262 306 HZ3 LYS 39 2HZ LYS 39 1.459 4.717 8.774 307 H ILE 40 H ILE 40 -0.892 1.960 3.759 308 HA ILE 40 HA ILE 40 0.945 2.897 1.915 309 HB ILE 40 HB ILE 40 -1.529 1.232 1.386 310 HG12 ILE 40 2HG1 ILE 40 1.335 0.417 1.944 311 HG13 ILE 40 3HG1 ILE 40 -0.002 0.280 3.081 312 HG21 ILE 40 1HG2 ILE 40 -0.344 0.429 -0.621 313 HG22 ILE 40 2HG2 ILE 40 0.944 1.597 -0.313 314 HG23 ILE 40 3HG2 ILE 40 -0.685 2.160 -0.694 315 HD11 ILE 40 3HD1 ILE 40 0.235 -1.183 0.458 316 HD12 ILE 40 1HD1 ILE 40 -1.093 -1.326 1.612 317 HD13 ILE 40 2HD1 ILE 40 0.528 -1.859 2.062 318 H VAL 41 H VAL 41 -2.506 3.638 2.145 319 HA VAL 41 HA VAL 41 -2.484 5.152 -0.338 320 HB VAL 41 HB VAL 41 -4.738 4.825 1.658 321 HG11 VAL 41 1HG1 VAL 41 -4.771 5.724 -1.231 322 HG12 VAL 41 2HG1 VAL 41 -5.037 6.749 0.179 323 HG13 VAL 41 3HG1 VAL 41 -6.191 5.475 -0.214 324 HG21 VAL 41 3HG2 VAL 41 -4.036 2.651 0.821 325 HG22 VAL 41 1HG2 VAL 41 -4.122 3.239 -0.840 326 HG23 VAL 41 2HG2 VAL 41 -5.592 3.096 0.119 327 H ASN 42 H ASN 42 -2.754 5.874 3.149 328 HA ASN 42 HA ASN 42 -3.295 8.678 2.586 329 HB2 ASN 42 2HB ASN 42 -3.196 7.090 5.149 330 HB3 ASN 42 3HB ASN 42 -3.419 8.838 5.123 331 HD21 ASN 42 1HD2 ASN 42 -4.857 5.766 4.402 332 HD22 ASN 42 2HD2 ASN 42 -6.451 6.360 4.110 333 H LEU 43 H LEU 43 -0.520 7.332 2.210 334 HA LEU 43 HA LEU 43 1.019 9.400 3.642 335 HB2 LEU 43 2HB LEU 43 1.874 6.916 2.157 336 HB3 LEU 43 3HB LEU 43 3.016 8.149 2.654 337 HG LEU 43 HG LEU 43 1.284 6.500 4.507 338 HD11 LEU 43 1HD1 LEU 43 3.419 5.507 5.214 339 HD12 LEU 43 2HD1 LEU 43 4.254 6.426 3.960 340 HD13 LEU 43 3HD1 LEU 43 3.075 5.193 3.512 341 HD21 LEU 43 3HD2 LEU 43 1.674 8.754 5.389 342 HD22 LEU 43 1HD2 LEU 43 3.411 8.551 5.151 343 HD23 LEU 43 2HD2 LEU 43 2.553 7.539 6.316 344 HA PRO 44 HA PRO 44 1.378 11.784 -0.183 345 HB2 PRO 44 2HB PRO 44 3.696 13.129 0.465 346 HB3 PRO 44 3HB PRO 44 2.085 13.617 1.000 347 HG2 PRO 44 2HG PRO 44 4.193 12.085 2.470 348 HG3 PRO 44 3HG PRO 44 3.109 13.355 3.068 349 HD2 PRO 44 2HD PRO 44 2.663 10.737 3.565 350 HD3 PRO 44 3HD PRO 44 1.333 11.891 3.331 351 H VAL 45 H VAL 45 2.771 11.827 -2.062 352 HA VAL 45 HA VAL 45 3.765 9.379 -2.789 353 HB VAL 45 HB VAL 45 3.197 11.068 -4.437 354 HG11 VAL 45 1HG1 VAL 45 4.664 12.945 -4.953 355 HG12 VAL 45 2HG1 VAL 45 5.735 12.492 -3.626 356 HG13 VAL 45 3HG1 VAL 45 4.091 13.036 -3.287 357 HG21 VAL 45 3HG2 VAL 45 6.080 10.198 -4.716 358 HG22 VAL 45 1HG2 VAL 45 5.019 10.706 -6.031 359 HG23 VAL 45 2HG2 VAL 45 4.665 9.232 -5.132 360 H ASP 46 H ASP 46 5.701 12.049 -1.415 361 HA ASP 46 HA ASP 46 8.227 10.832 -1.778 362 HB2 ASP 46 2HB ASP 46 7.297 12.833 0.295 363 HB3 ASP 46 3HB ASP 46 8.978 12.354 0.081 364 H ASP 47 H ASP 47 6.188 10.926 1.170 365 HA ASP 47 HA ASP 47 7.793 9.118 2.634 366 HB2 ASP 47 2HB ASP 47 4.898 9.916 2.990 367 HB3 ASP 47 3HB ASP 47 5.806 8.947 4.149 368 H PHE 48 H PHE 48 5.382 8.574 0.202 369 HA PHE 48 HA PHE 48 4.830 5.843 0.781 370 HB2 PHE 48 2HB PHE 48 3.412 7.117 -0.750 371 HB3 PHE 48 3HB PHE 48 4.763 7.338 -1.856 372 HD1 PHE 48 HD2 PHE 48 2.747 4.641 -0.245 373 HD2 PHE 48 HD1 PHE 48 5.033 5.861 -3.630 374 HE1 PHE 48 HE2 PHE 48 2.134 2.565 -1.407 375 HE2 PHE 48 HE1 PHE 48 4.421 3.784 -4.794 376 HZ PHE 48 HZ PHE 48 2.972 2.134 -3.682 377 H ASN 49 H ASN 49 7.189 7.388 -1.415 378 HA ASN 49 HA ASN 49 8.544 5.060 -2.204 379 HB2 ASN 49 2HB ASN 49 9.629 7.867 -1.827 380 HB3 ASN 49 3HB ASN 49 10.472 6.568 -2.670 381 HD21 ASN 49 1HD2 ASN 49 9.572 9.152 -3.660 382 HD22 ASN 49 2HD2 ASN 49 8.553 8.804 -5.010 383 H GLU 50 H GLU 50 9.083 7.212 0.570 384 HA GLU 50 HA GLU 50 11.203 5.911 1.814 385 HB2 GLU 50 2HB GLU 50 8.824 7.391 2.938 386 HB3 GLU 50 3HB GLU 50 10.096 6.757 3.973 387 HG2 GLU 50 2HG GLU 50 10.573 8.690 1.714 388 HG3 GLU 50 3HG GLU 50 10.323 9.168 3.393 389 H LEU 51 H LEU 51 7.720 5.309 2.225 390 HA LEU 51 HA LEU 51 7.726 3.310 4.109 391 HB2 LEU 51 2HB LEU 51 5.721 4.383 3.164 392 HB3 LEU 51 3HB LEU 51 5.970 3.527 1.656 393 HG LEU 51 HG LEU 51 5.596 1.377 2.849 394 HD11 LEU 51 1HD1 LEU 51 4.635 1.409 5.097 395 HD12 LEU 51 2HD1 LEU 51 4.876 3.154 5.182 396 HD13 LEU 51 3HD1 LEU 51 6.268 2.075 5.088 397 HD21 LEU 51 3HD2 LEU 51 3.178 1.642 3.086 398 HD22 LEU 51 1HD2 LEU 51 3.770 2.488 1.656 399 HD23 LEU 51 2HD2 LEU 51 3.362 3.395 3.113 400 H LEU 52 H LEU 52 8.034 2.876 0.577 401 HA LEU 52 HA LEU 52 8.266 0.076 0.570 402 HB2 LEU 52 2HB LEU 52 9.456 2.080 -1.356 403 HB3 LEU 52 3HB LEU 52 9.294 0.360 -1.662 404 HG LEU 52 HG LEU 52 7.006 2.300 -1.266 405 HD11 LEU 52 1HD1 LEU 52 7.995 0.917 -3.758 406 HD12 LEU 52 2HD1 LEU 52 8.145 2.637 -3.390 407 HD13 LEU 52 3HD1 LEU 52 6.552 1.923 -3.634 408 HD21 LEU 52 3HD2 LEU 52 6.441 0.081 -0.438 409 HD22 LEU 52 1HD2 LEU 52 6.977 -0.641 -1.956 410 HD23 LEU 52 2HD2 LEU 52 5.573 0.425 -1.932 411 H ALA 53 H ALA 53 10.760 2.586 0.865 412 HA ALA 53 HA ALA 53 12.956 0.737 0.737 413 HB1 ALA 53 3HB ALA 53 12.954 3.611 1.660 414 HB2 ALA 53 1HB ALA 53 13.132 3.079 -0.014 415 HB3 ALA 53 2HB ALA 53 14.360 2.659 1.180 416 H ARG 54 H ARG 54 11.058 2.132 3.320 417 HA ARG 54 HA ARG 54 12.967 1.600 5.401 418 HB2 ARG 54 2HB ARG 54 10.052 2.392 5.531 419 HB3 ARG 54 3HB ARG 54 11.104 2.253 6.934 420 HG2 ARG 54 2HG ARG 54 12.540 4.014 6.071 421 HG3 ARG 54 3HG ARG 54 11.550 4.126 4.614 422 HD2 ARG 54 2HD ARG 54 9.608 4.724 6.048 423 HD3 ARG 54 3HD ARG 54 10.692 4.742 7.438 424 HE ARG 54 HE ARG 54 11.712 6.445 5.440 425 HH11 ARG 54 1HH1 ARG 54 9.170 6.245 7.759 426 HH12 ARG 54 2HH1 ARG 54 8.951 7.959 7.831 427 HH21 ARG 54 1HH2 ARG 54 11.441 8.639 5.548 428 HH22 ARG 54 2HH2 ARG 54 10.227 9.304 6.590 429 H TYR 55 H TYR 55 10.316 -0.191 4.005 430 HA TYR 55 HA TYR 55 10.575 -2.216 6.141 431 HB2 TYR 55 2HB TYR 55 8.304 -1.673 4.215 432 HB3 TYR 55 3HB TYR 55 8.357 -3.055 5.305 433 HD1 TYR 55 HD2 TYR 55 8.353 0.675 5.257 434 HD2 TYR 55 HD1 TYR 55 7.598 -2.845 7.537 435 HE1 TYR 55 HE2 TYR 55 7.344 2.043 7.031 436 HE2 TYR 55 HE1 TYR 55 6.589 -1.481 9.315 437 HH TYR 55 HH TYR 55 6.531 0.735 10.133 438 HA PRO 56 HA PRO 56 12.563 -4.940 3.237 439 HB2 PRO 56 2HB PRO 56 12.064 -7.325 4.476 440 HB3 PRO 56 3HB PRO 56 13.287 -6.178 5.032 441 HG2 PRO 56 2HG PRO 56 10.492 -6.601 6.038 442 HG3 PRO 56 3HG PRO 56 11.990 -6.360 6.960 443 HD2 PRO 56 2HD PRO 56 10.223 -4.354 6.553 444 HD3 PRO 56 3HD PRO 56 11.974 -4.065 6.633 445 H LEU 57 H LEU 57 11.470 -4.977 1.317 446 HA LEU 57 HA LEU 57 9.183 -6.835 1.066 447 HB2 LEU 57 2HB LEU 57 9.428 -4.136 -0.291 448 HB3 LEU 57 3HB LEU 57 8.132 -5.290 -0.535 449 HG LEU 57 HG LEU 57 8.716 -3.877 2.074 450 HD11 LEU 57 1HD1 LEU 57 6.694 -2.587 1.600 451 HD12 LEU 57 2HD1 LEU 57 6.550 -3.378 0.030 452 HD13 LEU 57 3HD1 LEU 57 7.925 -2.327 0.365 453 HD21 LEU 57 3HD2 LEU 57 6.429 -5.673 1.244 454 HD22 LEU 57 1HD2 LEU 57 6.514 -4.758 2.750 455 HD23 LEU 57 2HD2 LEU 57 7.679 -6.043 2.435 456 H THR 58 H THR 58 9.173 -8.137 -0.741 457 HA THR 58 HA THR 58 11.495 -8.129 -2.489 458 HB THR 58 HB THR 58 10.573 -10.131 -3.502 459 HG1 THR 58 HG1 THR 58 8.485 -10.880 -2.874 460 HG21 THR 58 3HG2 THR 58 10.149 -10.196 -0.504 461 HG22 THR 58 1HG2 THR 58 11.690 -10.427 -1.334 462 HG23 THR 58 2HG2 THR 58 10.389 -11.601 -1.544 463 H GLU 59 H GLU 59 11.177 -8.252 -4.905 464 HA GLU 59 HA GLU 59 10.182 -5.949 -5.992 465 HB2 GLU 59 2HB GLU 59 10.313 -8.653 -7.345 466 HB3 GLU 59 3HB GLU 59 10.172 -7.114 -8.179 467 HG2 GLU 59 2HG GLU 59 12.342 -6.425 -7.372 468 HG3 GLU 59 3HG GLU 59 12.479 -7.894 -6.408 469 H SER 60 H SER 60 8.435 -9.049 -5.810 470 HA SER 60 HA SER 60 6.067 -8.179 -7.085 471 HB2 SER 60 2HB SER 60 6.414 -10.429 -5.080 472 HB3 SER 60 3HB SER 60 5.046 -10.223 -6.177 473 HG SER 60 HG SER 60 7.264 -10.129 -7.633 474 H GLN 61 H GLN 61 7.093 -8.030 -3.710 475 HA GLN 61 HA GLN 61 4.530 -7.379 -2.645 476 HB2 GLN 61 2HB GLN 61 7.286 -6.837 -1.507 477 HB3 GLN 61 3HB GLN 61 5.775 -6.638 -0.626 478 HG2 GLN 61 2HG GLN 61 5.325 -9.070 -1.002 479 HG3 GLN 61 3HG GLN 61 6.942 -9.208 -1.685 480 HE21 GLN 61 1HE2 GLN 61 5.083 -8.805 1.203 481 HE22 GLN 61 2HE2 GLN 61 6.380 -9.022 2.316 482 H LEU 62 H LEU 62 7.269 -5.352 -3.743 483 HA LEU 62 HA LEU 62 6.126 -2.856 -3.063 484 HB2 LEU 62 2HB LEU 62 8.097 -3.596 -5.225 485 HB3 LEU 62 3HB LEU 62 7.559 -1.948 -4.981 486 HG LEU 62 HG LEU 62 8.417 -2.238 -2.553 487 HD11 LEU 62 1HD1 LEU 62 9.902 -4.486 -3.901 488 HD12 LEU 62 2HD1 LEU 62 8.713 -4.648 -2.606 489 HD13 LEU 62 3HD1 LEU 62 10.245 -3.831 -2.299 490 HD21 LEU 62 3HD2 LEU 62 10.686 -1.595 -3.224 491 HD22 LEU 62 1HD2 LEU 62 9.462 -0.761 -4.182 492 HD23 LEU 62 2HD2 LEU 62 10.348 -2.123 -4.873 493 H ALA 63 H ALA 63 5.897 -4.783 -6.044 494 HA ALA 63 HA ALA 63 4.294 -3.067 -7.557 495 HB1 ALA 63 3HB ALA 63 5.345 -5.112 -8.442 496 HB2 ALA 63 1HB ALA 63 3.626 -5.033 -8.825 497 HB3 ALA 63 2HB ALA 63 4.193 -6.088 -7.530 498 H LEU 64 H LEU 64 3.323 -5.576 -5.221 499 HA LEU 64 HA LEU 64 0.547 -5.267 -5.410 500 HB2 LEU 64 2HB LEU 64 1.597 -7.126 -4.219 501 HB3 LEU 64 3HB LEU 64 2.216 -6.024 -3.000 502 HG LEU 64 HG LEU 64 -0.163 -5.464 -2.399 503 HD11 LEU 64 1HD1 LEU 64 -0.802 -7.790 -4.213 504 HD12 LEU 64 2HD1 LEU 64 -1.243 -6.103 -4.480 505 HD13 LEU 64 3HD1 LEU 64 -1.934 -6.991 -3.122 506 HD21 LEU 64 3HD2 LEU 64 1.101 -7.013 -1.043 507 HD22 LEU 64 1HD2 LEU 64 0.699 -8.343 -2.128 508 HD23 LEU 64 2HD2 LEU 64 -0.566 -7.568 -1.177 509 H VAL 65 H VAL 65 2.824 -3.685 -3.152 510 HA VAL 65 HA VAL 65 1.010 -2.137 -1.721 511 HB VAL 65 HB VAL 65 3.854 -1.420 -2.485 512 HG11 VAL 65 1HG1 VAL 65 2.115 -0.304 -0.278 513 HG12 VAL 65 2HG1 VAL 65 2.628 0.557 -1.730 514 HG13 VAL 65 3HG1 VAL 65 3.822 0.061 -0.529 515 HG21 VAL 65 3HG2 VAL 65 2.748 -2.782 -0.026 516 HG22 VAL 65 1HG2 VAL 65 4.431 -2.316 -0.272 517 HG23 VAL 65 2HG2 VAL 65 3.697 -3.546 -1.302 518 H ARG 66 H ARG 66 2.652 -1.353 -4.786 519 HA ARG 66 HA ARG 66 1.577 1.222 -5.168 520 HB2 ARG 66 2HB ARG 66 2.482 -0.881 -7.143 521 HB3 ARG 66 3HB ARG 66 1.958 0.722 -7.639 522 HG2 ARG 66 2HG ARG 66 3.756 1.739 -6.363 523 HG3 ARG 66 3HG ARG 66 4.261 0.153 -5.773 524 HD2 ARG 66 2HD ARG 66 5.643 0.992 -7.657 525 HD3 ARG 66 3HD ARG 66 4.855 -0.549 -7.999 526 HE ARG 66 HE ARG 66 3.140 1.316 -9.007 527 HH11 ARG 66 1HH1 ARG 66 6.495 0.679 -9.452 528 HH12 ARG 66 2HH1 ARG 66 6.483 1.206 -11.100 529 HH21 ARG 66 1HH2 ARG 66 3.147 1.981 -11.128 530 HH22 ARG 66 2HH2 ARG 66 4.622 1.936 -12.030 531 H ASP 67 H ASP 67 0.315 -1.966 -6.099 532 HA ASP 67 HA ASP 67 -1.961 -0.954 -7.474 533 HB2 ASP 67 2HB ASP 67 -0.958 -3.244 -7.780 534 HB3 ASP 67 3HB ASP 67 -1.650 -3.695 -6.225 535 H ILE 68 H ILE 68 -1.362 -1.905 -4.127 536 HA ILE 68 HA ILE 68 -4.026 -1.856 -3.204 537 HB ILE 68 HB ILE 68 -1.456 -1.306 -1.702 538 HG12 ILE 68 2HG1 ILE 68 -3.212 -3.774 -1.864 539 HG13 ILE 68 3HG1 ILE 68 -1.645 -3.579 -2.641 540 HG21 ILE 68 1HG2 ILE 68 -2.756 -1.695 0.355 541 HG22 ILE 68 2HG2 ILE 68 -4.233 -1.765 -0.603 542 HG23 ILE 68 3HG2 ILE 68 -3.310 -0.266 -0.517 543 HD11 ILE 68 3HD1 ILE 68 -1.477 -4.931 -0.632 544 HD12 ILE 68 1HD1 ILE 68 -2.151 -3.617 0.329 545 HD13 ILE 68 2HD1 ILE 68 -0.580 -3.425 -0.450 546 H ARG 69 H ARG 69 -1.555 0.728 -3.313 547 HA ARG 69 HA ARG 69 -3.221 2.790 -2.328 548 HB2 ARG 69 2HB ARG 69 -0.888 3.242 -2.410 549 HB3 ARG 69 3HB ARG 69 -0.793 2.852 -4.124 550 HG2 ARG 69 2HG ARG 69 -1.989 4.847 -4.718 551 HG3 ARG 69 3HG ARG 69 -2.347 5.194 -3.027 552 HD2 ARG 69 2HD ARG 69 0.433 5.107 -4.201 553 HD3 ARG 69 3HD ARG 69 -0.514 6.579 -3.978 554 HE ARG 69 HE ARG 69 0.160 4.845 -1.700 555 HH11 ARG 69 1HH1 ARG 69 0.198 7.948 -3.214 556 HH12 ARG 69 2HH1 ARG 69 0.790 8.737 -1.793 557 HH21 ARG 69 1HH2 ARG 69 0.924 5.869 0.079 558 HH22 ARG 69 2HH2 ARG 69 1.212 7.572 0.037 559 H ARG 70 H ARG 70 -2.616 1.629 -5.610 560 HA ARG 70 HA ARG 70 -4.116 3.477 -7.062 561 HB2 ARG 70 2HB ARG 70 -2.553 1.756 -7.966 562 HB3 ARG 70 3HB ARG 70 -3.762 0.526 -7.631 563 HG2 ARG 70 2HG ARG 70 -5.248 1.451 -9.274 564 HG3 ARG 70 3HG ARG 70 -4.190 2.850 -9.506 565 HD2 ARG 70 2HD ARG 70 -2.418 1.374 -10.333 566 HD3 ARG 70 3HD ARG 70 -3.461 -0.026 -10.090 567 HE ARG 70 HE ARG 70 -4.966 1.149 -11.782 568 HH11 ARG 70 1HH1 ARG 70 -1.542 1.462 -11.783 569 HH12 ARG 70 2HH1 ARG 70 -1.442 1.631 -13.498 570 HH21 ARG 70 1HH2 ARG 70 -4.839 1.387 -13.978 571 HH22 ARG 70 2HH2 ARG 70 -3.298 1.629 -14.728 572 H ARG 71 H ARG 71 -5.154 0.449 -5.512 573 HA ARG 71 HA ARG 71 -7.904 0.675 -6.281 574 HB2 ARG 71 2HB ARG 71 -6.593 -0.944 -4.076 575 HB3 ARG 71 3HB ARG 71 -8.264 -1.131 -4.600 576 HG2 ARG 71 2HG ARG 71 -5.864 -1.547 -6.381 577 HG3 ARG 71 3HG ARG 71 -6.710 -2.837 -5.528 578 HD2 ARG 71 2HD ARG 71 -8.734 -2.390 -6.760 579 HD3 ARG 71 3HD ARG 71 -8.013 -0.966 -7.506 580 HE ARG 71 HE ARG 71 -6.459 -2.526 -8.632 581 HH11 ARG 71 1HH1 ARG 71 -9.409 -3.793 -7.387 582 HH12 ARG 71 2HH1 ARG 71 -9.522 -5.017 -8.597 583 HH21 ARG 71 1HH2 ARG 71 -6.602 -4.131 -10.162 584 HH22 ARG 71 2HH2 ARG 71 -7.946 -5.221 -10.138 585 H GLY 72 H GLY 72 -6.156 1.339 -3.250 586 HA2 GLY 72 2HA GLY 72 -8.362 2.128 -1.701 587 HA3 GLY 72 3HA GLY 72 -6.694 2.588 -1.401 588 H LYS 73 H LYS 73 -6.312 3.998 -3.875 589 HA LYS 73 HA LYS 73 -7.229 6.569 -3.194 590 HB2 LYS 73 2HB LYS 73 -5.207 6.116 -4.554 591 HB3 LYS 73 3HB LYS 73 -6.227 5.569 -5.874 592 HG2 LYS 73 2HG LYS 73 -5.529 7.770 -6.399 593 HG3 LYS 73 3HG LYS 73 -7.227 7.874 -5.946 594 HD2 LYS 73 2HD LYS 73 -5.113 8.350 -3.868 595 HD3 LYS 73 3HD LYS 73 -5.482 9.621 -5.033 596 HE2 LYS 73 2HE LYS 73 -7.449 8.309 -3.147 597 HE3 LYS 73 3HE LYS 73 -6.757 9.921 -2.970 598 HZ1 LYS 73 3HZ LYS 73 -7.828 10.559 -5.050 599 HZ2 LYS 73 1HZ LYS 73 -8.967 10.025 -3.921 600 HZ3 LYS 73 2HZ LYS 73 -8.505 9.019 -5.194 601 H ASN 74 H ASN 74 -8.483 4.140 -5.434 602 HA ASN 74 HA ASN 74 -10.638 5.792 -6.387 603 HB2 ASN 74 2HB ASN 74 -9.705 3.890 -7.703 604 HB3 ASN 74 3HB ASN 74 -10.351 2.771 -6.508 605 HD21 ASN 74 1HD2 ASN 74 -12.600 2.475 -6.392 606 HD22 ASN 74 2HD2 ASN 74 -13.645 2.946 -7.680 607 H LYS 75 H LYS 75 -10.184 3.459 -3.793 608 HA LYS 75 HA LYS 75 -12.847 3.087 -2.987 609 HB2 LYS 75 2HB LYS 75 -11.040 1.717 -2.091 610 HB3 LYS 75 3HB LYS 75 -10.310 3.124 -1.331 611 HG2 LYS 75 2HG LYS 75 -12.500 3.334 -0.019 612 HG3 LYS 75 3HG LYS 75 -12.844 1.696 -0.571 613 HD2 LYS 75 2HD LYS 75 -10.366 2.514 0.953 614 HD3 LYS 75 3HD LYS 75 -11.800 1.797 1.687 615 HE2 LYS 75 2HE LYS 75 -11.485 -0.227 0.359 616 HE3 LYS 75 3HE LYS 75 -10.084 0.494 -0.435 617 HZ1 LYS 75 3HZ LYS 75 -10.257 0.050 2.494 618 HZ2 LYS 75 1HZ LYS 75 -8.894 0.499 1.606 619 HZ3 LYS 75 2HZ LYS 75 -9.547 -1.047 1.426 620 H VAL 76 H VAL 76 -10.451 5.257 -1.447 621 HA VAL 76 HA VAL 76 -12.335 6.669 0.109 622 HB VAL 76 HB VAL 76 -9.943 6.617 0.661 623 HG11 VAL 76 1HG1 VAL 76 -8.330 8.016 -0.547 624 HG12 VAL 76 2HG1 VAL 76 -9.564 8.402 -1.748 625 HG13 VAL 76 3HG1 VAL 76 -8.990 6.743 -1.571 626 HG21 VAL 76 3HG2 VAL 76 -11.323 8.407 1.592 627 HG22 VAL 76 1HG2 VAL 76 -10.964 9.427 0.197 628 HG23 VAL 76 2HG2 VAL 76 -9.675 8.965 1.309 629 H ALA 77 H ALA 77 -11.265 7.097 -3.194 630 HA ALA 77 HA ALA 77 -12.019 9.722 -3.708 631 HB1 ALA 77 3HB ALA 77 -12.332 7.371 -5.577 632 HB2 ALA 77 1HB ALA 77 -10.850 8.292 -5.326 633 HB3 ALA 77 2HB ALA 77 -12.260 9.073 -6.038 634 H ALA 78 H ALA 78 -14.033 6.944 -3.133 635 HA ALA 78 HA ALA 78 -16.416 7.643 -4.355 636 HB1 ALA 78 3HB ALA 78 -16.045 5.502 -3.242 637 HB2 ALA 78 1HB ALA 78 -17.525 6.266 -2.667 638 HB3 ALA 78 2HB ALA 78 -16.069 6.303 -1.671 639 H GLN 79 H GLN 79 -14.985 8.999 -1.453 640 HA GLN 79 HA GLN 79 -17.324 10.352 -0.513 641 HB2 GLN 79 2HB GLN 79 -14.411 10.986 0.020 642 HB3 GLN 79 3HB GLN 79 -15.780 11.578 0.947 643 HG2 GLN 79 2HG GLN 79 -14.883 8.706 0.728 644 HG3 GLN 79 3HG GLN 79 -14.652 9.773 2.112 645 HE21 GLN 79 1HE2 GLN 79 -16.472 10.360 3.352 646 HE22 GLN 79 2HE2 GLN 79 -17.918 9.427 3.316 647 H ASN 80 H ASN 80 -14.840 11.131 -2.846 648 HA ASN 80 HA ASN 80 -16.030 13.810 -3.248 649 HB2 ASN 80 2HB ASN 80 -13.743 14.625 -3.803 650 HB3 ASN 80 3HB ASN 80 -13.894 14.079 -2.136 651 HD21 ASN 80 1HD2 ASN 80 -12.518 13.393 -5.255 652 HD22 ASN 80 2HD2 ASN 80 -11.404 12.187 -4.718 653 H TYR 81 H TYR 81 -16.323 11.109 -4.634 654 HA TYR 81 HA TYR 81 -15.023 11.317 -7.166 655 HB2 TYR 81 2HB TYR 81 -15.846 9.188 -6.001 656 HB3 TYR 81 3HB TYR 81 -17.451 9.616 -6.583 657 HD1 TYR 81 HD1 TYR 81 -13.969 9.251 -7.895 658 HD2 TYR 81 HD2 TYR 81 -18.129 8.665 -8.612 659 HE1 TYR 81 HE1 TYR 81 -13.442 8.152 -10.027 660 HE2 TYR 81 HE2 TYR 81 -17.607 7.564 -10.749 661 HH TYR 81 HH TYR 81 -15.871 7.405 -12.365 662 H ARG 82 H ARG 82 -15.591 12.445 -8.890 663 HA ARG 82 HA ARG 82 -17.793 14.210 -8.912 664 HB2 ARG 82 2HB ARG 82 -15.915 13.354 -11.124 665 HB3 ARG 82 3HB ARG 82 -17.068 14.679 -11.264 666 HG2 ARG 82 2HG ARG 82 -15.959 15.915 -9.527 667 HG3 ARG 82 3HG ARG 82 -14.902 14.550 -9.169 668 HD2 ARG 82 2HD ARG 82 -13.849 14.761 -11.353 669 HD3 ARG 82 3HD ARG 82 -14.952 16.068 -11.780 670 HE ARG 82 HE ARG 82 -13.889 17.409 -10.048 671 HH11 ARG 82 1HH1 ARG 82 -12.192 14.588 -11.048 672 HH12 ARG 82 2HH1 ARG 82 -10.656 15.198 -10.556 673 HH21 ARG 82 1HH2 ARG 82 -11.924 18.182 -9.389 674 HH22 ARG 82 2HH2 ARG 82 -10.502 17.225 -9.628 675 H LYS 83 H LYS 83 -19.668 14.254 -10.173 676 HA LYS 83 HA LYS 83 -20.970 11.722 -10.274 677 HB2 LYS 83 2HB LYS 83 -21.924 14.457 -11.141 678 HB3 LYS 83 3HB LYS 83 -22.945 13.029 -11.036 679 HG2 LYS 83 2HG LYS 83 -22.470 12.892 -8.625 680 HG3 LYS 83 3HG LYS 83 -21.507 14.363 -8.749 681 HD2 LYS 83 2HD LYS 83 -24.426 14.204 -9.507 682 HD3 LYS 83 3HD LYS 83 -23.859 14.676 -7.907 683 HE2 LYS 83 2HE LYS 83 -24.292 16.688 -9.078 684 HE3 LYS 83 3HE LYS 83 -22.541 16.513 -9.045 685 HZ1 LYS 83 3HZ LYS 83 -24.272 15.786 -11.348 686 HZ2 LYS 83 1HZ LYS 83 -22.580 15.750 -11.313 687 HZ3 LYS 83 2HZ LYS 83 -23.392 17.221 -11.208 688 H ARG 84 H ARG 84 -20.454 10.321 -11.872 689 HA ARG 84 HA ARG 84 -20.464 11.205 -14.647 690 HB2 ARG 84 2HB ARG 84 -20.475 8.478 -14.856 691 HB3 ARG 84 3HB ARG 84 -19.033 9.467 -14.757 692 HG2 ARG 84 2HG ARG 84 -18.851 7.575 -13.284 693 HG3 ARG 84 3HG ARG 84 -18.918 9.062 -12.344 694 HD2 ARG 84 2HD ARG 84 -20.259 7.252 -11.352 695 HD3 ARG 84 3HD ARG 84 -21.237 8.651 -11.791 696 HE ARG 84 HE ARG 84 -21.571 7.136 -13.942 697 HH11 ARG 84 1HH1 ARG 84 -21.587 6.203 -10.621 698 HH12 ARG 84 2HH1 ARG 84 -22.835 5.025 -10.853 699 HH21 ARG 84 1HH2 ARG 84 -23.155 5.619 -14.223 700 HH22 ARG 84 2HH2 ARG 84 -23.700 4.686 -12.874 701 H LYS 85 H LYS 85 -22.632 12.118 -14.326 702 HA LYS 85 HA LYS 85 -24.721 10.306 -15.208 703 HB2 LYS 85 2HB LYS 85 -25.005 9.953 -12.873 704 HB3 LYS 85 3HB LYS 85 -24.769 11.655 -12.507 705 HG2 LYS 85 2HG LYS 85 -27.081 11.126 -12.213 706 HG3 LYS 85 3HG LYS 85 -26.924 12.152 -13.634 707 HD2 LYS 85 2HD LYS 85 -27.064 10.136 -15.068 708 HD3 LYS 85 3HD LYS 85 -27.307 9.151 -13.622 709 HE2 LYS 85 2HE LYS 85 -29.335 10.492 -13.103 710 HE3 LYS 85 3HE LYS 85 -29.099 11.375 -14.610 711 HZ1 LYS 85 3HZ LYS 85 -29.771 8.512 -14.273 712 HZ2 LYS 85 1HZ LYS 85 -29.259 9.162 -15.746 713 HZ3 LYS 85 2HZ LYS 85 -30.687 9.712 -15.032 714 H LEU 86 H LEU 86 -25.370 11.424 -16.963 715 HA LEU 86 HA LEU 86 -25.758 14.323 -16.820 716 HB2 LEU 86 2HB LEU 86 -25.918 14.344 -19.152 717 HB3 LEU 86 3HB LEU 86 -24.696 13.133 -18.822 718 HG LEU 86 HG LEU 86 -27.585 12.534 -19.517 719 HD11 LEU 86 1HD1 LEU 86 -26.728 11.810 -21.684 720 HD12 LEU 86 2HD1 LEU 86 -25.108 12.339 -21.230 721 HD13 LEU 86 3HD1 LEU 86 -26.406 13.519 -21.405 722 HD21 LEU 86 3HD2 LEU 86 -26.621 10.773 -18.158 723 HD22 LEU 86 1HD2 LEU 86 -25.209 10.693 -19.215 724 HD23 LEU 86 2HD2 LEU 86 -26.798 10.225 -19.824 725 H GLU 87 H GLU 87 -27.846 15.186 -17.881 726 HA GLU 87 HA GLU 87 -30.117 14.229 -16.494 727 HB2 GLU 87 2HB GLU 87 -29.949 16.560 -17.212 728 HB3 GLU 87 3HB GLU 87 -29.955 16.063 -18.900 729 HG2 GLU 87 2HG GLU 87 -32.248 15.145 -18.570 730 HG3 GLU 87 3HG GLU 87 -32.228 15.796 -16.931 731 H THR 88 H THR 88 -30.537 12.069 -16.924 732 HA THR 88 HA THR 88 -30.891 11.089 -19.605 733 HB THR 88 HB THR 88 -31.919 9.072 -18.464 734 HG1 THR 88 HG1 THR 88 -32.612 9.622 -16.506 735 HG21 THR 88 3HG2 THR 88 -29.790 8.261 -17.575 736 HG22 THR 88 1HG2 THR 88 -29.177 9.914 -17.505 737 HG23 THR 88 2HG2 THR 88 -29.534 9.170 -19.064 738 H ILE 89 H ILE 89 -32.382 12.331 -20.622 739 HA ILE 89 HA ILE 89 -34.807 13.259 -19.616 740 HB ILE 89 HB ILE 89 -35.477 13.520 -22.028 741 HG12 ILE 89 2HG1 ILE 89 -32.735 12.305 -22.522 742 HG13 ILE 89 3HG1 ILE 89 -34.274 11.557 -22.935 743 HG21 ILE 89 1HG2 ILE 89 -32.742 14.551 -21.255 744 HG22 ILE 89 2HG2 ILE 89 -34.286 15.277 -20.817 745 HG23 ILE 89 3HG2 ILE 89 -33.784 15.232 -22.506 746 HD11 ILE 89 3HD1 ILE 89 -33.156 14.091 -24.113 747 HD12 ILE 89 1HD1 ILE 89 -34.715 13.372 -24.517 748 HD13 ILE 89 2HD1 ILE 89 -33.223 12.508 -24.889 749 H VAL 90 H VAL 90 -36.234 11.914 -18.684 750 HA VAL 90 HA VAL 90 -36.917 9.353 -19.864 751 HB VAL 90 HB VAL 90 -36.738 9.445 -17.455 752 HG11 VAL 90 1HG1 VAL 90 -38.246 10.752 -16.055 753 HG12 VAL 90 2HG1 VAL 90 -38.996 11.454 -17.489 754 HG13 VAL 90 3HG1 VAL 90 -37.309 11.806 -17.113 755 HG21 VAL 90 3HG2 VAL 90 -39.622 9.101 -18.289 756 HG22 VAL 90 1HG2 VAL 90 -38.890 8.466 -16.815 757 HG23 VAL 90 2HG2 VAL 90 -38.359 7.875 -18.391 758 H GLN 91 H GLN 91 -38.583 8.964 -21.185 759 HA GLN 91 HA GLN 91 -40.571 11.102 -21.619 760 HB2 GLN 91 2HB GLN 91 -39.181 10.501 -23.578 761 HB3 GLN 91 3HB GLN 91 -39.769 8.845 -23.478 762 HG2 GLN 91 2HG GLN 91 -42.046 9.621 -23.912 763 HG3 GLN 91 3HG GLN 91 -41.467 11.284 -24.003 764 HE21 GLN 91 1HE2 GLN 91 -40.206 11.901 -25.777 765 HE22 GLN 91 2HE2 GLN 91 -40.198 10.986 -27.239 Start of MODEL 4 1 H1 MET 1 1H MET 1 41.206 -25.714 44.224 2 H2 MET 1 2H MET 1 40.083 -25.575 45.475 3 H3 MET 1 3H MET 1 41.626 -24.917 45.658 4 HA MET 1 HA MET 1 40.011 -23.185 45.217 5 HB2 MET 1 2HB MET 1 41.799 -23.637 42.808 6 HB3 MET 1 3HB MET 1 41.178 -22.094 43.380 7 HG2 MET 1 2HG MET 1 43.503 -22.335 43.985 8 HG3 MET 1 3HG MET 1 42.500 -22.339 45.437 9 HE1 MET 1 3HE MET 1 44.559 -23.277 46.807 10 HE2 MET 1 1HE MET 1 45.577 -23.374 45.374 11 HE3 MET 1 2HE MET 1 45.404 -24.779 46.427 12 H GLY 2 H GLY 2 37.890 -23.181 44.659 13 HA2 GLY 2 2HA GLY 2 37.131 -24.495 42.107 14 HA3 GLY 2 3HA GLY 2 36.151 -24.576 43.559 15 H HIS 3 H HIS 3 37.648 -21.996 41.553 16 HA HIS 3 HA HIS 3 35.363 -20.261 41.877 17 HB2 HIS 3 2HB HIS 3 37.778 -19.535 41.456 18 HB3 HIS 3 3HB HIS 3 37.542 -20.029 39.787 19 HD1 HIS 3 HD1 HIS 3 36.668 -18.276 38.259 20 HD2 HIS 3 HD2 HIS 3 35.901 -17.379 42.242 21 HE1 HIS 3 HE1 HIS 3 35.744 -15.943 38.259 22 HE2 HIS 3 HE2 HIS 3 35.394 -15.382 40.678 23 H HIS 4 H HIS 4 33.504 -21.210 41.078 24 HA HIS 4 HA HIS 4 33.640 -22.680 38.541 25 HB2 HIS 4 2HB HIS 4 32.758 -23.831 40.555 26 HB3 HIS 4 3HB HIS 4 31.451 -22.657 40.637 27 HD1 HIS 4 HD1 HIS 4 29.455 -23.014 39.090 28 HD2 HIS 4 HD2 HIS 4 32.569 -25.680 38.404 29 HE1 HIS 4 HE1 HIS 4 28.533 -24.738 37.518 30 HE2 HIS 4 HE2 HIS 4 30.478 -26.241 36.991 31 H HIS 5 H HIS 5 32.386 -22.261 36.776 32 HA HIS 5 HA HIS 5 30.198 -20.355 36.891 33 HB2 HIS 5 2HB HIS 5 31.083 -18.974 35.027 34 HB3 HIS 5 3HB HIS 5 32.080 -18.854 36.472 35 HD1 HIS 5 HD1 HIS 5 34.504 -19.604 36.285 36 HD2 HIS 5 HD2 HIS 5 32.278 -20.412 32.870 37 HE1 HIS 5 HE1 HIS 5 36.169 -20.311 34.546 38 HE2 HIS 5 HE2 HIS 5 34.781 -20.974 32.558 39 H HIS 6 H HIS 6 28.889 -20.374 34.923 40 HA HIS 6 HA HIS 6 29.463 -22.038 32.707 41 HB2 HIS 6 2HB HIS 6 29.045 -23.821 34.412 42 HB3 HIS 6 3HB HIS 6 27.417 -23.189 34.626 43 HD1 HIS 6 HD1 HIS 6 25.654 -24.009 33.031 44 HD2 HIS 6 HD2 HIS 6 29.503 -24.937 31.763 45 HE1 HIS 6 HE1 HIS 6 25.363 -25.503 31.037 46 HE2 HIS 6 HE2 HIS 6 27.698 -26.134 30.351 47 H HIS 7 H HIS 7 28.201 -21.386 31.016 48 HA HIS 7 HA HIS 7 26.255 -19.318 31.579 49 HB2 HIS 7 2HB HIS 7 26.264 -18.889 29.169 50 HB3 HIS 7 3HB HIS 7 27.891 -18.921 29.830 51 HD1 HIS 7 HD1 HIS 7 29.518 -20.578 28.820 52 HD2 HIS 7 HD2 HIS 7 25.617 -21.145 27.500 53 HE1 HIS 7 HE1 HIS 7 29.681 -22.213 26.925 54 HE2 HIS 7 HE2 HIS 7 27.309 -22.592 26.181 55 H HIS 8 H HIS 8 24.134 -19.368 31.385 56 HA HIS 8 HA HIS 8 22.815 -21.732 30.188 57 HB2 HIS 8 2HB HIS 8 22.430 -21.807 32.566 58 HB3 HIS 8 3HB HIS 8 22.038 -20.095 32.623 59 HD1 HIS 8 HD1 HIS 8 20.562 -23.436 31.950 60 HD2 HIS 8 HD2 HIS 8 19.418 -19.446 31.723 61 HE1 HIS 8 HE1 HIS 8 18.070 -23.463 31.688 62 HE2 HIS 8 HE2 HIS 8 17.386 -21.045 31.712 63 H SER 9 H SER 9 21.860 -21.138 28.289 64 HA SER 9 HA SER 9 20.227 -18.736 28.184 65 HB2 SER 9 2HB SER 9 22.429 -17.799 27.692 66 HB3 SER 9 3HB SER 9 22.669 -18.986 26.409 67 HG SER 9 HG SER 9 21.384 -16.613 26.317 68 H HIS 10 H HIS 10 19.171 -18.437 26.039 69 HA HIS 10 HA HIS 10 19.047 -20.809 24.322 70 HB2 HIS 10 2HB HIS 10 16.671 -19.608 25.764 71 HB3 HIS 10 3HB HIS 10 16.492 -20.587 24.312 72 HD1 HIS 10 HD1 HIS 10 16.835 -23.110 24.533 73 HD2 HIS 10 HD2 HIS 10 17.412 -21.036 28.086 74 HE1 HIS 10 HE1 HIS 10 16.936 -24.861 26.321 75 HE2 HIS 10 HE2 HIS 10 17.497 -23.601 28.421 76 H MET 11 H MET 11 17.688 -20.341 22.319 77 HA MET 11 HA MET 11 18.527 -17.768 21.256 78 HB2 MET 11 2HB MET 11 17.240 -20.166 19.931 79 HB3 MET 11 3HB MET 11 17.744 -18.713 19.075 80 HG2 MET 11 2HG MET 11 19.538 -20.589 20.604 81 HG3 MET 11 3HG MET 11 19.394 -20.481 18.851 82 HE1 MET 11 3HE MET 11 20.130 -18.342 17.440 83 HE2 MET 11 1HE MET 11 20.836 -16.892 18.152 84 HE3 MET 11 2HE MET 11 19.146 -17.295 18.460 85 H ALA 12 H ALA 12 17.160 -16.301 20.148 86 HA ALA 12 HA ALA 12 14.457 -16.163 21.279 87 HB1 ALA 12 3HB ALA 12 16.079 -14.079 19.813 88 HB2 ALA 12 1HB ALA 12 15.891 -14.214 21.560 89 HB3 ALA 12 2HB ALA 12 14.497 -13.820 20.552 90 H LYS 13 H LYS 13 12.588 -15.983 20.045 91 HA LYS 13 HA LYS 13 12.837 -16.391 17.129 92 HB2 LYS 13 2HB LYS 13 11.041 -17.879 19.054 93 HB3 LYS 13 3HB LYS 13 10.825 -17.918 17.310 94 HG2 LYS 13 2HG LYS 13 13.304 -18.833 18.768 95 HG3 LYS 13 3HG LYS 13 12.018 -19.893 18.186 96 HD2 LYS 13 2HD LYS 13 13.742 -18.098 16.463 97 HD3 LYS 13 3HD LYS 13 13.934 -19.843 16.640 98 HE2 LYS 13 2HE LYS 13 11.687 -20.179 15.694 99 HE3 LYS 13 3HE LYS 13 11.507 -18.433 15.511 100 HZ1 LYS 13 3HZ LYS 13 12.159 -19.439 13.437 101 HZ2 LYS 13 1HZ LYS 13 13.522 -20.139 14.150 102 HZ3 LYS 13 2HZ LYS 13 13.416 -18.459 13.998 103 HA PRO 14 HA PRO 14 9.919 -13.027 16.967 104 HB2 PRO 14 2HB PRO 14 9.290 -13.085 14.357 105 HB3 PRO 14 3HB PRO 14 10.916 -12.656 14.903 106 HG2 PRO 14 2HG PRO 14 9.907 -15.284 13.862 107 HG3 PRO 14 3HG PRO 14 11.398 -14.418 13.444 108 HD2 PRO 14 2HD PRO 14 11.313 -16.479 15.240 109 HD3 PRO 14 3HD PRO 14 12.502 -15.163 15.322 110 H THR 15 H THR 15 7.649 -12.560 15.931 111 HA THR 15 HA THR 15 5.883 -14.881 15.778 112 HB THR 15 HB THR 15 5.472 -12.752 17.903 113 HG1 THR 15 HG1 THR 15 6.972 -14.612 18.281 114 HG21 THR 15 3HG2 THR 15 3.335 -13.403 16.884 115 HG22 THR 15 1HG2 THR 15 3.464 -14.027 18.529 116 HG23 THR 15 2HG2 THR 15 3.717 -15.104 17.157 117 H ALA 16 H ALA 16 4.160 -14.525 14.435 118 HA ALA 16 HA ALA 16 3.478 -11.755 13.706 119 HB1 ALA 16 3HB ALA 16 3.485 -12.328 11.320 120 HB2 ALA 16 1HB ALA 16 4.103 -13.933 11.710 121 HB3 ALA 16 2HB ALA 16 5.085 -12.504 12.042 122 H ARG 17 H ARG 17 1.470 -11.826 14.671 123 HA ARG 17 HA ARG 17 -0.430 -13.894 13.768 124 HB2 ARG 17 2HB ARG 17 -0.211 -13.504 16.209 125 HB3 ARG 17 3HB ARG 17 -0.722 -11.841 15.977 126 HG2 ARG 17 2HG ARG 17 -2.609 -13.000 16.769 127 HG3 ARG 17 3HG ARG 17 -2.885 -12.755 15.045 128 HD2 ARG 17 2HD ARG 17 -1.774 -15.305 16.224 129 HD3 ARG 17 3HD ARG 17 -3.489 -15.036 15.922 130 HE ARG 17 HE ARG 17 -2.013 -14.571 13.561 131 HH11 ARG 17 1HH1 ARG 17 -3.101 -17.131 15.580 132 HH12 ARG 17 2HH1 ARG 17 -3.140 -18.278 14.290 133 HH21 ARG 17 1HH2 ARG 17 -2.055 -16.046 11.916 134 HH22 ARG 17 2HH2 ARG 17 -2.552 -17.670 12.232 135 H GLY 18 H GLY 18 -0.876 -13.112 11.694 136 HA2 GLY 18 2HA GLY 18 -1.614 -10.345 11.258 137 HA3 GLY 18 3HA GLY 18 -1.529 -11.612 10.047 138 H GLU 19 H GLU 19 -3.524 -10.389 12.719 139 HA GLU 19 HA GLU 19 -5.888 -11.746 11.750 140 HB2 GLU 19 2HB GLU 19 -5.613 -9.574 13.848 141 HB3 GLU 19 3HB GLU 19 -7.062 -10.520 13.536 142 HG2 GLU 19 2HG GLU 19 -4.425 -11.552 14.570 143 HG3 GLU 19 3HG GLU 19 -5.922 -11.372 15.484 144 H ALA 20 H ALA 20 -6.661 -11.080 9.827 145 HA ALA 20 HA ALA 20 -6.561 -8.216 9.145 146 HB1 ALA 20 3HB ALA 20 -6.893 -10.611 7.339 147 HB2 ALA 20 1HB ALA 20 -5.390 -9.735 7.626 148 HB3 ALA 20 2HB ALA 20 -6.738 -8.933 6.820 149 H GLY 21 H GLY 21 -8.336 -7.119 8.337 150 HA2 GLY 21 2HA GLY 21 -10.963 -8.446 8.697 151 HA3 GLY 21 3HA GLY 21 -10.671 -6.733 8.951 152 H SER 22 H SER 22 -9.096 -6.333 6.551 153 HA SER 22 HA SER 22 -11.299 -6.303 4.600 154 HB2 SER 22 2HB SER 22 -10.093 -4.529 3.479 155 HB3 SER 22 3HB SER 22 -10.141 -4.159 5.202 156 HG SER 22 HG SER 22 -8.063 -3.858 4.707 157 H ARG 23 H ARG 23 -10.673 -6.521 2.266 158 HA ARG 23 HA ARG 23 -9.320 -8.990 1.795 159 HB2 ARG 23 2HB ARG 23 -10.255 -6.878 -0.170 160 HB3 ARG 23 3HB ARG 23 -9.734 -8.504 -0.600 161 HG2 ARG 23 2HG ARG 23 -11.584 -9.456 0.665 162 HG3 ARG 23 3HG ARG 23 -12.102 -7.838 1.148 163 HD2 ARG 23 2HD ARG 23 -12.484 -7.276 -1.221 164 HD3 ARG 23 3HD ARG 23 -11.992 -8.909 -1.677 165 HE ARG 23 HE ARG 23 -14.134 -8.873 0.227 166 HH11 ARG 23 1HH1 ARG 23 -13.403 -8.600 -3.133 167 HH12 ARG 23 2HH1 ARG 23 -14.948 -9.192 -3.626 168 HH21 ARG 23 1HH2 ARG 23 -16.118 -9.606 -0.429 169 HH22 ARG 23 2HH2 ARG 23 -16.466 -9.756 -2.116 170 H ASP 24 H ASP 24 -8.423 -5.604 1.448 171 HA ASP 24 HA ASP 24 -6.051 -5.843 -0.001 172 HB2 ASP 24 2HB ASP 24 -6.494 -3.916 2.290 173 HB3 ASP 24 3HB ASP 24 -5.474 -3.683 0.874 174 H GLU 25 H GLU 25 -6.583 -6.031 3.513 175 HA GLU 25 HA GLU 25 -3.927 -6.563 4.277 176 HB2 GLU 25 2HB GLU 25 -6.540 -7.366 5.576 177 HB3 GLU 25 3HB GLU 25 -4.963 -7.565 6.331 178 HG2 GLU 25 2HG GLU 25 -4.621 -5.152 6.281 179 HG3 GLU 25 3HG GLU 25 -6.181 -4.938 5.484 180 H ARG 26 H ARG 26 -6.498 -8.724 3.161 181 HA ARG 26 HA ARG 26 -5.252 -11.169 3.785 182 HB2 ARG 26 2HB ARG 26 -7.233 -10.481 1.604 183 HB3 ARG 26 3HB ARG 26 -6.737 -12.125 1.992 184 HG2 ARG 26 2HG ARG 26 -8.101 -10.211 3.885 185 HG3 ARG 26 3HG ARG 26 -8.874 -11.552 3.037 186 HD2 ARG 26 2HD ARG 26 -7.553 -13.156 4.225 187 HD3 ARG 26 3HD ARG 26 -6.539 -11.891 4.919 188 HE ARG 26 HE ARG 26 -9.184 -11.426 5.695 189 HH11 ARG 26 1HH1 ARG 26 -6.743 -13.794 6.181 190 HH12 ARG 26 2HH1 ARG 26 -7.242 -14.151 7.795 191 HH21 ARG 26 1HH2 ARG 26 -9.841 -11.886 7.752 192 HH22 ARG 26 2HH2 ARG 26 -8.987 -13.065 8.688 193 H ARG 27 H ARG 27 -5.039 -9.156 0.845 194 HA ARG 27 HA ARG 27 -3.139 -10.791 -0.493 195 HB2 ARG 27 2HB ARG 27 -3.864 -7.877 -0.672 196 HB3 ARG 27 3HB ARG 27 -2.448 -8.475 -1.519 197 HG2 ARG 27 2HG ARG 27 -4.168 -8.462 -3.102 198 HG3 ARG 27 3HG ARG 27 -3.984 -10.150 -2.639 199 HD2 ARG 27 2HD ARG 27 -6.009 -8.426 -1.265 200 HD3 ARG 27 3HD ARG 27 -6.353 -9.092 -2.858 201 HE ARG 27 HE ARG 27 -5.484 -11.037 -0.907 202 HH11 ARG 27 1HH1 ARG 27 -8.146 -9.400 -2.356 203 HH12 ARG 27 2HH1 ARG 27 -9.284 -10.624 -1.900 204 HH21 ARG 27 1HH2 ARG 27 -6.972 -12.598 -0.321 205 HH22 ARG 27 2HH2 ARG 27 -8.630 -12.404 -0.776 206 H ALA 28 H ALA 28 -2.800 -8.103 1.785 207 HA ALA 28 HA ALA 28 -0.052 -7.714 1.693 208 HB1 ALA 28 3HB ALA 28 -0.274 -6.665 3.885 209 HB2 ALA 28 1HB ALA 28 -1.864 -7.400 4.090 210 HB3 ALA 28 2HB ALA 28 -1.605 -6.197 2.826 211 H LEU 29 H LEU 29 -1.805 -9.701 4.121 212 HA LEU 29 HA LEU 29 0.531 -10.713 5.328 213 HB2 LEU 29 2HB LEU 29 -0.969 -12.368 6.398 214 HB3 LEU 29 3HB LEU 29 -1.530 -10.717 6.540 215 HG LEU 29 HG LEU 29 -2.997 -11.352 4.439 216 HD11 LEU 29 1HD1 LEU 29 -2.497 -14.053 5.682 217 HD12 LEU 29 2HD1 LEU 29 -2.059 -13.550 4.050 218 HD13 LEU 29 3HD1 LEU 29 -3.756 -13.684 4.500 219 HD21 LEU 29 3HD2 LEU 29 -3.633 -12.267 7.243 220 HD22 LEU 29 1HD2 LEU 29 -4.809 -12.017 5.950 221 HD23 LEU 29 2HD2 LEU 29 -3.890 -10.652 6.578 222 H ALA 30 H ALA 30 -1.274 -11.821 2.537 223 HA ALA 30 HA ALA 30 -0.101 -14.406 2.344 224 HB1 ALA 30 3HB ALA 30 -1.252 -12.697 0.134 225 HB2 ALA 30 1HB ALA 30 -2.175 -13.778 1.178 226 HB3 ALA 30 2HB ALA 30 -0.969 -14.438 0.075 227 H MET 31 H MET 31 0.765 -11.255 0.966 228 HA MET 31 HA MET 31 3.175 -12.318 -0.272 229 HB2 MET 31 2HB MET 31 2.122 -9.488 -0.060 230 HB3 MET 31 3HB MET 31 3.562 -9.955 -0.958 231 HG2 MET 31 2HG MET 31 0.749 -10.882 -1.518 232 HG3 MET 31 3HG MET 31 1.652 -9.675 -2.436 233 HE1 MET 31 3HE MET 31 3.812 -10.235 -3.881 234 HE2 MET 31 1HE MET 31 4.515 -11.850 -4.009 235 HE3 MET 31 2HE MET 31 4.585 -10.979 -2.479 236 H LYS 32 H LYS 32 2.280 -11.219 2.768 237 HA LYS 32 HA LYS 32 3.419 -11.052 4.716 238 HB2 LYS 32 2HB LYS 32 5.952 -11.455 3.110 239 HB3 LYS 32 3HB LYS 32 5.799 -11.564 4.859 240 HG2 LYS 32 2HG LYS 32 4.341 -13.490 4.650 241 HG3 LYS 32 3HG LYS 32 4.383 -13.361 2.893 242 HD2 LYS 32 2HD LYS 32 6.834 -13.750 2.966 243 HD3 LYS 32 3HD LYS 32 6.710 -13.996 4.710 244 HE2 LYS 32 2HE LYS 32 6.738 -16.134 3.507 245 HE3 LYS 32 3HE LYS 32 5.202 -15.889 4.342 246 HZ1 LYS 32 3HZ LYS 32 4.857 -16.735 2.108 247 HZ2 LYS 32 1HZ LYS 32 5.699 -15.428 1.446 248 HZ3 LYS 32 2HZ LYS 32 4.229 -15.175 2.240 249 H ILE 33 H ILE 33 2.499 -8.825 4.086 250 HA ILE 33 HA ILE 33 4.577 -6.759 3.964 251 HB ILE 33 HB ILE 33 1.556 -6.510 3.989 252 HG12 ILE 33 2HG1 ILE 33 2.440 -7.538 1.927 253 HG13 ILE 33 3HG1 ILE 33 1.766 -5.943 1.614 254 HG21 ILE 33 1HG2 ILE 33 3.672 -4.390 3.602 255 HG22 ILE 33 2HG2 ILE 33 2.541 -4.523 4.949 256 HG23 ILE 33 3HG2 ILE 33 1.943 -4.154 3.333 257 HD11 ILE 33 3HD1 ILE 33 4.009 -5.001 1.553 258 HD12 ILE 33 1HD1 ILE 33 3.829 -6.307 0.382 259 HD13 ILE 33 2HD1 ILE 33 4.693 -6.590 1.894 260 HA PRO 34 HA PRO 34 4.358 -6.740 8.460 261 HB2 PRO 34 2HB PRO 34 6.517 -5.226 8.941 262 HB3 PRO 34 3HB PRO 34 6.660 -6.862 8.286 263 HG2 PRO 34 2HG PRO 34 6.805 -4.229 6.854 264 HG3 PRO 34 3HG PRO 34 7.828 -5.664 6.663 265 HD2 PRO 34 2HD PRO 34 5.724 -5.036 5.000 266 HD3 PRO 34 3HD PRO 34 6.344 -6.682 5.245 267 H PHE 35 H PHE 35 3.256 -4.287 6.582 268 HA PHE 35 HA PHE 35 2.693 -2.606 8.927 269 HB2 PHE 35 2HB PHE 35 2.903 -0.566 7.400 270 HB3 PHE 35 3HB PHE 35 4.399 -1.340 7.905 271 HD1 PHE 35 HD2 PHE 35 2.128 -0.745 5.073 272 HD2 PHE 35 HD1 PHE 35 5.830 -2.432 6.329 273 HE1 PHE 35 HE2 PHE 35 2.842 -0.920 2.727 274 HE2 PHE 35 HE1 PHE 35 6.549 -2.606 3.985 275 HZ PHE 35 HZ PHE 35 5.053 -1.849 2.177 276 HA PRO 36 HA PRO 36 -1.498 -2.855 7.746 277 HB2 PRO 36 2HB PRO 36 -2.534 -0.545 8.716 278 HB3 PRO 36 3HB PRO 36 -1.950 -1.843 9.763 279 HG2 PRO 36 2HG PRO 36 -0.549 0.673 8.913 280 HG3 PRO 36 3HG PRO 36 -0.672 -0.044 10.534 281 HD2 PRO 36 2HD PRO 36 1.522 -0.363 8.986 282 HD3 PRO 36 3HD PRO 36 0.958 -1.632 10.093 283 H THR 37 H THR 37 -3.167 -2.159 6.373 284 HA THR 37 HA THR 37 -2.322 -0.993 3.924 285 HB THR 37 HB THR 37 -4.629 -1.265 3.176 286 HG1 THR 37 HG1 THR 37 -5.909 -2.358 5.146 287 HG21 THR 37 3HG2 THR 37 -3.255 -3.274 3.214 288 HG22 THR 37 1HG2 THR 37 -4.917 -3.682 3.638 289 HG23 THR 37 2HG2 THR 37 -3.687 -3.569 4.896 290 H ASP 38 H ASP 38 -4.305 0.227 6.599 291 HA ASP 38 HA ASP 38 -5.378 2.505 5.460 292 HB2 ASP 38 2HB ASP 38 -4.377 2.308 8.308 293 HB3 ASP 38 3HB ASP 38 -5.681 3.329 7.706 294 H LYS 39 H LYS 39 -2.285 2.281 7.239 295 HA LYS 39 HA LYS 39 -1.446 4.919 6.869 296 HB2 LYS 39 2HB LYS 39 -0.341 3.413 8.436 297 HB3 LYS 39 3HB LYS 39 0.222 2.402 7.111 298 HG2 LYS 39 2HG LYS 39 1.654 4.181 6.305 299 HG3 LYS 39 3HG LYS 39 1.023 5.282 7.528 300 HD2 LYS 39 2HD LYS 39 2.513 2.721 8.147 301 HD3 LYS 39 3HD LYS 39 3.262 4.319 8.074 302 HE2 LYS 39 2HE LYS 39 1.682 5.070 9.854 303 HE3 LYS 39 3HE LYS 39 1.102 3.409 9.982 304 HZ1 LYS 39 3HZ LYS 39 3.343 2.724 10.585 305 HZ2 LYS 39 1HZ LYS 39 2.762 3.891 11.659 306 HZ3 LYS 39 2HZ LYS 39 3.887 4.320 10.473 307 H ILE 40 H ILE 40 -0.873 2.063 4.823 308 HA ILE 40 HA ILE 40 0.745 3.086 2.842 309 HB ILE 40 HB ILE 40 -1.598 1.193 2.512 310 HG12 ILE 40 2HG1 ILE 40 1.361 0.622 2.851 311 HG13 ILE 40 3HG1 ILE 40 0.146 0.439 4.111 312 HG21 ILE 40 1HG2 ILE 40 -0.482 0.440 0.447 313 HG22 ILE 40 2HG2 ILE 40 0.696 1.740 0.626 314 HG23 ILE 40 3HG2 ILE 40 -1.004 2.122 0.355 315 HD11 ILE 40 3HD1 ILE 40 0.711 -1.704 3.130 316 HD12 ILE 40 1HD1 ILE 40 0.266 -1.112 1.529 317 HD13 ILE 40 2HD1 ILE 40 -0.966 -1.289 2.777 318 H VAL 41 H VAL 41 -2.809 3.264 2.987 319 HA VAL 41 HA VAL 41 -3.113 4.663 0.529 320 HB VAL 41 HB VAL 41 -5.030 4.466 2.866 321 HG11 VAL 41 1HG1 VAL 41 -5.618 6.296 1.354 322 HG12 VAL 41 2HG1 VAL 41 -6.784 4.979 1.231 323 HG13 VAL 41 3HG1 VAL 41 -5.561 5.192 -0.021 324 HG21 VAL 41 3HG2 VAL 41 -4.389 2.267 2.023 325 HG22 VAL 41 1HG2 VAL 41 -4.805 2.759 0.380 326 HG23 VAL 41 2HG2 VAL 41 -6.064 2.629 1.609 327 H ASN 42 H ASN 42 -2.828 5.733 3.902 328 HA ASN 42 HA ASN 42 -3.673 8.424 3.320 329 HB2 ASN 42 2HB ASN 42 -2.535 7.154 5.808 330 HB3 ASN 42 3HB ASN 42 -2.927 8.868 5.709 331 HD21 ASN 42 1HD2 ASN 42 -4.748 6.261 4.192 332 HD22 ASN 42 2HD2 ASN 42 -6.168 6.477 5.141 333 H LEU 43 H LEU 43 -0.563 6.826 3.461 334 HA LEU 43 HA LEU 43 1.016 9.173 3.772 335 HB2 LEU 43 2HB LEU 43 1.697 6.459 2.643 336 HB3 LEU 43 3HB LEU 43 2.878 7.740 2.843 337 HG LEU 43 HG LEU 43 1.332 6.372 5.057 338 HD11 LEU 43 1HD1 LEU 43 3.516 5.532 5.751 339 HD12 LEU 43 2HD1 LEU 43 4.271 6.315 4.363 340 HD13 LEU 43 3HD1 LEU 43 3.120 5.000 4.117 341 HD21 LEU 43 3HD2 LEU 43 1.665 8.731 5.590 342 HD22 LEU 43 1HD2 LEU 43 3.387 8.584 5.229 343 HD23 LEU 43 2HD2 LEU 43 2.692 7.713 6.597 344 HA PRO 44 HA PRO 44 0.643 10.858 -0.371 345 HB2 PRO 44 2HB PRO 44 2.651 12.698 -0.167 346 HB3 PRO 44 3HB PRO 44 1.043 12.928 0.524 347 HG2 PRO 44 2HG PRO 44 3.571 12.046 1.868 348 HG3 PRO 44 3HG PRO 44 2.328 13.172 2.445 349 HD2 PRO 44 2HD PRO 44 2.474 10.599 3.290 350 HD3 PRO 44 3HD PRO 44 0.935 11.472 3.149 351 H VAL 45 H VAL 45 2.480 11.618 -2.090 352 HA VAL 45 HA VAL 45 3.353 9.202 -3.127 353 HB VAL 45 HB VAL 45 2.938 11.055 -4.587 354 HG11 VAL 45 1HG1 VAL 45 3.680 12.875 -3.137 355 HG12 VAL 45 2HG1 VAL 45 4.392 13.005 -4.744 356 HG13 VAL 45 3HG1 VAL 45 5.362 12.406 -3.397 357 HG21 VAL 45 3HG2 VAL 45 4.867 10.920 -6.073 358 HG22 VAL 45 1HG2 VAL 45 4.509 9.337 -5.382 359 HG23 VAL 45 2HG2 VAL 45 5.861 10.288 -4.761 360 H ASP 46 H ASP 46 5.542 11.722 -1.722 361 HA ASP 46 HA ASP 46 7.881 10.173 -2.130 362 HB2 ASP 46 2HB ASP 46 7.373 12.504 -0.265 363 HB3 ASP 46 3HB ASP 46 8.960 11.800 -0.551 364 H ASP 47 H ASP 47 5.945 10.738 0.822 365 HA ASP 47 HA ASP 47 7.493 9.152 2.553 366 HB2 ASP 47 2HB ASP 47 4.536 9.806 2.654 367 HB3 ASP 47 3HB ASP 47 5.457 9.110 3.987 368 H PHE 48 H PHE 48 4.847 8.303 0.388 369 HA PHE 48 HA PHE 48 4.488 5.623 1.140 370 HB2 PHE 48 2HB PHE 48 2.910 6.730 -0.324 371 HB3 PHE 48 3HB PHE 48 4.153 6.991 -1.542 372 HD1 PHE 48 HD2 PHE 48 2.200 4.353 0.192 373 HD2 PHE 48 HD1 PHE 48 4.571 5.378 -3.200 374 HE1 PHE 48 HE2 PHE 48 1.592 2.225 -0.878 375 HE2 PHE 48 HE1 PHE 48 3.962 3.248 -4.269 376 HZ PHE 48 HZ PHE 48 2.474 1.671 -3.106 377 H ASN 49 H ASN 49 6.585 7.012 -1.406 378 HA ASN 49 HA ASN 49 7.809 4.617 -2.217 379 HB2 ASN 49 2HB ASN 49 8.913 7.439 -2.234 380 HB3 ASN 49 3HB ASN 49 9.606 6.082 -3.120 381 HD21 ASN 49 1HD2 ASN 49 8.466 8.625 -4.069 382 HD22 ASN 49 2HD2 ASN 49 7.228 8.181 -5.186 383 H GLU 50 H GLU 50 8.727 6.931 0.320 384 HA GLU 50 HA GLU 50 11.075 5.714 1.222 385 HB2 GLU 50 2HB GLU 50 8.960 7.332 2.645 386 HB3 GLU 50 3HB GLU 50 10.368 6.711 3.497 387 HG2 GLU 50 2HG GLU 50 10.483 8.522 1.088 388 HG3 GLU 50 3HG GLU 50 10.608 9.059 2.762 389 H LEU 51 H LEU 51 7.717 5.154 2.283 390 HA LEU 51 HA LEU 51 8.122 3.229 4.221 391 HB2 LEU 51 2HB LEU 51 5.949 4.266 3.640 392 HB3 LEU 51 3HB LEU 51 5.898 3.309 2.172 393 HG LEU 51 HG LEU 51 5.840 1.241 3.572 394 HD11 LEU 51 1HD1 LEU 51 6.901 2.130 5.580 395 HD12 LEU 51 2HD1 LEU 51 5.325 1.430 5.952 396 HD13 LEU 51 3HD1 LEU 51 5.512 3.182 5.859 397 HD21 LEU 51 3HD2 LEU 51 3.503 1.479 4.250 398 HD22 LEU 51 1HD2 LEU 51 3.787 2.217 2.673 399 HD23 LEU 51 2HD2 LEU 51 3.631 3.233 4.105 400 H LEU 52 H LEU 52 7.781 2.717 0.705 401 HA LEU 52 HA LEU 52 8.106 -0.091 0.743 402 HB2 LEU 52 2HB LEU 52 8.726 1.888 -1.456 403 HB3 LEU 52 3HB LEU 52 8.634 0.149 -1.669 404 HG LEU 52 HG LEU 52 6.337 1.958 -0.872 405 HD11 LEU 52 1HD1 LEU 52 7.002 2.221 -3.211 406 HD12 LEU 52 2HD1 LEU 52 5.434 1.426 -3.075 407 HD13 LEU 52 3HD1 LEU 52 6.872 0.477 -3.451 408 HD21 LEU 52 3HD2 LEU 52 6.126 -0.240 0.159 409 HD22 LEU 52 1HD2 LEU 52 6.392 -1.019 -1.403 410 HD23 LEU 52 2HD2 LEU 52 4.944 -0.048 -1.135 411 H ALA 53 H ALA 53 10.445 2.539 0.586 412 HA ALA 53 HA ALA 53 12.682 0.810 -0.001 413 HB1 ALA 53 3HB ALA 53 12.590 3.120 -0.821 414 HB2 ALA 53 1HB ALA 53 14.031 2.826 0.153 415 HB3 ALA 53 2HB ALA 53 12.667 3.710 0.840 416 H ARG 54 H ARG 54 11.092 1.802 2.878 417 HA ARG 54 HA ARG 54 13.465 1.430 4.549 418 HB2 ARG 54 2HB ARG 54 10.672 2.384 5.204 419 HB3 ARG 54 3HB ARG 54 11.961 2.221 6.392 420 HG2 ARG 54 2HG ARG 54 13.298 3.872 5.215 421 HG3 ARG 54 3HG ARG 54 12.075 3.998 3.953 422 HD2 ARG 54 2HD ARG 54 10.463 4.828 5.605 423 HD3 ARG 54 3HD ARG 54 11.696 4.717 6.860 424 HE ARG 54 HE ARG 54 12.244 6.399 4.532 425 HH11 ARG 54 1HH1 ARG 54 11.508 6.148 7.877 426 HH12 ARG 54 2HH1 ARG 54 11.864 7.807 8.193 427 HH21 ARG 54 1HH2 ARG 54 12.705 8.521 4.932 428 HH22 ARG 54 2HH2 ARG 54 12.539 9.146 6.538 429 H TYR 55 H TYR 55 11.319 -0.661 3.256 430 HA TYR 55 HA TYR 55 11.627 -2.508 5.534 431 HB2 TYR 55 2HB TYR 55 9.140 -2.028 3.893 432 HB3 TYR 55 3HB TYR 55 9.386 -3.521 4.793 433 HD1 TYR 55 HD1 TYR 55 9.396 -3.514 7.246 434 HD2 TYR 55 HD2 TYR 55 8.656 0.061 5.047 435 HE1 TYR 55 HE1 TYR 55 8.520 -2.449 9.282 436 HE2 TYR 55 HE2 TYR 55 7.777 1.130 7.079 437 HH TYR 55 HH TYR 55 6.754 0.431 9.230 438 HA PRO 56 HA PRO 56 13.185 -5.324 2.439 439 HB2 PRO 56 2HB PRO 56 12.931 -7.680 3.750 440 HB3 PRO 56 3HB PRO 56 14.142 -6.474 4.198 441 HG2 PRO 56 2HG PRO 56 11.473 -7.030 5.445 442 HG3 PRO 56 3HG PRO 56 13.029 -6.714 6.233 443 HD2 PRO 56 2HD PRO 56 11.092 -4.814 5.926 444 HD3 PRO 56 3HD PRO 56 12.825 -4.430 5.996 445 H LEU 57 H LEU 57 11.438 -4.896 0.950 446 HA LEU 57 HA LEU 57 9.327 -6.966 0.928 447 HB2 LEU 57 2HB LEU 57 9.220 -4.212 -0.321 448 HB3 LEU 57 3HB LEU 57 7.931 -5.403 -0.318 449 HG LEU 57 HG LEU 57 9.030 -3.998 2.126 450 HD11 LEU 57 1HD1 LEU 57 6.878 -2.860 2.178 451 HD12 LEU 57 2HD1 LEU 57 6.400 -3.664 0.685 452 HD13 LEU 57 3HD1 LEU 57 7.739 -2.513 0.679 453 HD21 LEU 57 3HD2 LEU 57 6.724 -5.933 1.854 454 HD22 LEU 57 1HD2 LEU 57 7.168 -5.057 3.320 455 HD23 LEU 57 2HD2 LEU 57 8.265 -6.262 2.648 456 H THR 58 H THR 58 9.290 -8.325 -0.758 457 HA THR 58 HA THR 58 11.159 -8.215 -2.893 458 HB THR 58 HB THR 58 9.944 -10.112 -3.863 459 HG1 THR 58 HG1 THR 58 8.085 -10.089 -1.746 460 HG21 THR 58 3HG2 THR 58 10.212 -10.307 -0.855 461 HG22 THR 58 1HG2 THR 58 11.490 -10.586 -2.037 462 HG23 THR 58 2HG2 THR 58 10.107 -11.679 -1.958 463 H GLU 59 H GLU 59 10.646 -8.081 -5.179 464 HA GLU 59 HA GLU 59 9.665 -5.638 -5.919 465 HB2 GLU 59 2HB GLU 59 9.745 -8.122 -7.651 466 HB3 GLU 59 3HB GLU 59 9.759 -6.456 -8.222 467 HG2 GLU 59 2HG GLU 59 11.916 -6.061 -7.298 468 HG3 GLU 59 3HG GLU 59 11.886 -7.582 -6.409 469 H SER 60 H SER 60 7.848 -8.710 -6.038 470 HA SER 60 HA SER 60 5.492 -7.642 -7.190 471 HB2 SER 60 2HB SER 60 5.953 -10.059 -7.167 472 HB3 SER 60 3HB SER 60 5.783 -10.083 -5.412 473 HG SER 60 HG SER 60 3.848 -9.958 -7.394 474 H GLN 61 H GLN 61 6.583 -7.873 -3.852 475 HA GLN 61 HA GLN 61 4.136 -7.276 -2.582 476 HB2 GLN 61 2HB GLN 61 7.000 -6.852 -1.720 477 HB3 GLN 61 3HB GLN 61 5.634 -6.460 -0.685 478 HG2 GLN 61 2HG GLN 61 4.903 -8.790 -0.752 479 HG3 GLN 61 3HG GLN 61 6.262 -9.188 -1.802 480 HE21 GLN 61 1HE2 GLN 61 5.321 -8.248 1.412 481 HE22 GLN 61 2HE2 GLN 61 6.785 -8.715 2.190 482 H LEU 62 H LEU 62 6.770 -5.111 -3.679 483 HA LEU 62 HA LEU 62 5.599 -2.696 -2.832 484 HB2 LEU 62 2HB LEU 62 7.435 -3.231 -5.179 485 HB3 LEU 62 3HB LEU 62 6.946 -1.623 -4.681 486 HG LEU 62 HG LEU 62 7.983 -2.203 -2.389 487 HD11 LEU 62 1HD1 LEU 62 9.792 -3.849 -2.448 488 HD12 LEU 62 2HD1 LEU 62 9.280 -4.350 -4.060 489 HD13 LEU 62 3HD1 LEU 62 8.211 -4.595 -2.679 490 HD21 LEU 62 3HD2 LEU 62 10.224 -1.562 -3.160 491 HD22 LEU 62 1HD2 LEU 62 8.961 -0.595 -3.921 492 HD23 LEU 62 2HD2 LEU 62 9.743 -1.894 -4.825 493 H ALA 63 H ALA 63 5.284 -4.453 -5.909 494 HA ALA 63 HA ALA 63 3.582 -2.695 -7.259 495 HB1 ALA 63 3HB ALA 63 4.642 -4.605 -8.344 496 HB2 ALA 63 1HB ALA 63 2.899 -4.635 -8.596 497 HB3 ALA 63 2HB ALA 63 3.636 -5.714 -7.411 498 H LEU 64 H LEU 64 2.814 -5.226 -4.909 499 HA LEU 64 HA LEU 64 -0.007 -5.045 -5.081 500 HB2 LEU 64 2HB LEU 64 1.080 -6.950 -4.037 501 HB3 LEU 64 3HB LEU 64 1.786 -5.913 -2.809 502 HG LEU 64 HG LEU 64 -0.499 -5.410 -1.964 503 HD11 LEU 64 1HD1 LEU 64 -1.362 -7.514 -3.952 504 HD12 LEU 64 2HD1 LEU 64 -1.760 -5.797 -4.011 505 HD13 LEU 64 3HD1 LEU 64 -2.378 -6.801 -2.700 506 HD21 LEU 64 3HD2 LEU 64 0.841 -7.150 -0.915 507 HD22 LEU 64 1HD2 LEU 64 0.222 -8.340 -2.061 508 HD23 LEU 64 2HD2 LEU 64 -0.867 -7.582 -0.898 509 H VAL 65 H VAL 65 2.280 -3.620 -2.739 510 HA VAL 65 HA VAL 65 0.492 -2.199 -1.172 511 HB VAL 65 HB VAL 65 3.321 -1.395 -1.908 512 HG11 VAL 65 1HG1 VAL 65 1.629 -0.552 0.448 513 HG12 VAL 65 2HG1 VAL 65 2.105 0.469 -0.908 514 HG13 VAL 65 3HG1 VAL 65 3.328 -0.148 0.202 515 HG21 VAL 65 3HG2 VAL 65 2.290 -3.034 0.413 516 HG22 VAL 65 1HG2 VAL 65 3.964 -2.538 0.159 517 HG23 VAL 65 2HG2 VAL 65 3.193 -3.649 -0.972 518 H ARG 66 H ARG 66 1.955 -1.225 -4.249 519 HA ARG 66 HA ARG 66 1.006 1.435 -4.285 520 HB2 ARG 66 2HB ARG 66 1.602 -0.396 -6.624 521 HB3 ARG 66 3HB ARG 66 1.423 1.353 -6.715 522 HG2 ARG 66 2HG ARG 66 3.372 1.631 -5.260 523 HG3 ARG 66 3HG ARG 66 3.558 -0.117 -5.167 524 HD2 ARG 66 2HD ARG 66 5.123 0.738 -6.773 525 HD3 ARG 66 3HD ARG 66 3.874 -0.160 -7.635 526 HE ARG 66 HE ARG 66 2.870 2.053 -8.158 527 HH11 ARG 66 1HH1 ARG 66 6.226 1.794 -7.427 528 HH12 ARG 66 2HH1 ARG 66 6.632 3.262 -8.243 529 HH21 ARG 66 1HH2 ARG 66 3.397 3.910 -9.238 530 HH22 ARG 66 2HH2 ARG 66 5.040 4.456 -9.261 531 H ASP 67 H ASP 67 -0.452 -1.590 -5.434 532 HA ASP 67 HA ASP 67 -2.805 -0.412 -6.530 533 HB2 ASP 67 2HB ASP 67 -2.095 -2.676 -7.147 534 HB3 ASP 67 3HB ASP 67 -2.302 -3.222 -5.487 535 H ILE 68 H ILE 68 -2.073 -1.823 -3.334 536 HA ILE 68 HA ILE 68 -4.574 -1.582 -2.140 537 HB ILE 68 HB ILE 68 -1.861 -1.192 -0.848 538 HG12 ILE 68 2HG1 ILE 68 -3.621 -3.654 -1.093 539 HG13 ILE 68 3HG1 ILE 68 -2.122 -3.368 -1.972 540 HG21 ILE 68 1HG2 ILE 68 -3.644 -0.284 0.561 541 HG22 ILE 68 2HG2 ILE 68 -2.971 -1.752 1.267 542 HG23 ILE 68 3HG2 ILE 68 -4.528 -1.805 0.438 543 HD11 ILE 68 3HD1 ILE 68 -2.382 -3.676 1.012 544 HD12 ILE 68 1HD1 ILE 68 -0.879 -3.407 0.127 545 HD13 ILE 68 2HD1 ILE 68 -1.791 -4.898 -0.112 546 H ARG 69 H ARG 69 -2.010 0.876 -2.418 547 HA ARG 69 HA ARG 69 -3.294 2.902 -0.951 548 HB2 ARG 69 2HB ARG 69 -0.899 2.967 -1.624 549 HB3 ARG 69 3HB ARG 69 -1.400 3.270 -3.283 550 HG2 ARG 69 2HG ARG 69 -2.498 5.361 -2.541 551 HG3 ARG 69 3HG ARG 69 -1.903 5.065 -0.908 552 HD2 ARG 69 2HD ARG 69 -0.447 6.640 -1.999 553 HD3 ARG 69 3HD ARG 69 0.417 5.117 -1.789 554 HE ARG 69 HE ARG 69 -0.727 5.060 -4.318 555 HH11 ARG 69 1HH1 ARG 69 1.603 6.965 -2.637 556 HH12 ARG 69 2HH1 ARG 69 2.488 7.340 -4.071 557 HH21 ARG 69 1HH2 ARG 69 0.424 5.533 -6.143 558 HH22 ARG 69 2HH2 ARG 69 1.834 6.534 -6.045 559 H ARG 70 H ARG 70 -3.305 2.298 -4.481 560 HA ARG 70 HA ARG 70 -5.027 4.496 -5.054 561 HB2 ARG 70 2HB ARG 70 -5.146 3.621 -7.315 562 HB3 ARG 70 3HB ARG 70 -3.493 3.540 -6.738 563 HG2 ARG 70 2HG ARG 70 -3.763 1.152 -6.306 564 HG3 ARG 70 3HG ARG 70 -5.429 1.238 -6.875 565 HD2 ARG 70 2HD ARG 70 -4.599 1.981 -9.089 566 HD3 ARG 70 3HD ARG 70 -2.944 1.788 -8.505 567 HE ARG 70 HE ARG 70 -4.617 -0.554 -8.272 568 HH11 ARG 70 1HH1 ARG 70 -2.374 1.142 -10.266 569 HH12 ARG 70 2HH1 ARG 70 -1.900 -0.283 -11.116 570 HH21 ARG 70 1HH2 ARG 70 -4.034 -2.340 -9.362 571 HH22 ARG 70 2HH2 ARG 70 -2.841 -2.254 -10.613 572 H ARG 71 H ARG 71 -5.619 1.141 -4.218 573 HA ARG 71 HA ARG 71 -8.373 1.074 -4.933 574 HB2 ARG 71 2HB ARG 71 -6.732 -0.565 -2.991 575 HB3 ARG 71 3HB ARG 71 -8.448 -0.850 -3.247 576 HG2 ARG 71 2HG ARG 71 -6.326 -0.999 -5.394 577 HG3 ARG 71 3HG ARG 71 -7.028 -2.381 -4.548 578 HD2 ARG 71 2HD ARG 71 -9.244 -1.783 -5.413 579 HD3 ARG 71 3HD ARG 71 -8.545 -0.403 -6.258 580 HE ARG 71 HE ARG 71 -7.127 -2.435 -7.274 581 HH11 ARG 71 1HH1 ARG 71 -10.521 -2.082 -6.771 582 HH12 ARG 71 2HH1 ARG 71 -10.944 -3.013 -8.165 583 HH21 ARG 71 1HH2 ARG 71 -7.678 -3.639 -9.063 584 HH22 ARG 71 2HH2 ARG 71 -9.344 -3.902 -9.437 585 H GLY 72 H GLY 72 -6.770 1.583 -1.775 586 HA2 GLY 72 2HA GLY 72 -9.079 2.244 -0.318 587 HA3 GLY 72 3HA GLY 72 -7.448 2.767 0.075 588 H LYS 73 H LYS 73 -6.814 4.372 -2.059 589 HA LYS 73 HA LYS 73 -8.129 6.798 -1.455 590 HB2 LYS 73 2HB LYS 73 -5.842 6.851 -2.191 591 HB3 LYS 73 3HB LYS 73 -6.249 6.050 -3.703 592 HG2 LYS 73 2HG LYS 73 -7.431 7.998 -4.484 593 HG3 LYS 73 3HG LYS 73 -7.242 8.794 -2.920 594 HD2 LYS 73 2HD LYS 73 -4.928 7.971 -4.682 595 HD3 LYS 73 3HD LYS 73 -5.665 9.574 -4.719 596 HE2 LYS 73 2HE LYS 73 -4.354 8.278 -2.325 597 HE3 LYS 73 3HE LYS 73 -3.655 9.549 -3.328 598 HZ1 LYS 73 3HZ LYS 73 -4.574 10.531 -1.372 599 HZ2 LYS 73 1HZ LYS 73 -6.061 9.761 -1.605 600 HZ3 LYS 73 2HZ LYS 73 -5.558 10.968 -2.675 601 H ASN 74 H ASN 74 -8.778 4.356 -3.864 602 HA ASN 74 HA ASN 74 -10.167 5.791 -5.790 603 HB2 ASN 74 2HB ASN 74 -9.612 3.371 -5.947 604 HB3 ASN 74 3HB ASN 74 -10.885 3.023 -4.780 605 HD21 ASN 74 1HD2 ASN 74 -13.046 3.220 -5.423 606 HD22 ASN 74 2HD2 ASN 74 -13.497 3.321 -7.086 607 H LYS 75 H LYS 75 -11.209 4.818 -2.586 608 HA LYS 75 HA LYS 75 -13.961 5.316 -2.768 609 HB2 LYS 75 2HB LYS 75 -12.776 4.274 -0.815 610 HB3 LYS 75 3HB LYS 75 -12.161 5.864 -0.387 611 HG2 LYS 75 2HG LYS 75 -14.034 5.383 1.010 612 HG3 LYS 75 3HG LYS 75 -14.510 6.644 -0.127 613 HD2 LYS 75 2HD LYS 75 -16.331 5.136 -0.040 614 HD3 LYS 75 3HD LYS 75 -15.506 4.797 -1.559 615 HE2 LYS 75 2HE LYS 75 -15.158 3.222 1.000 616 HE3 LYS 75 3HE LYS 75 -16.198 2.749 -0.339 617 HZ1 LYS 75 3HZ LYS 75 -14.157 1.568 -0.501 618 HZ2 LYS 75 1HZ LYS 75 -13.241 2.982 -0.371 619 HZ3 LYS 75 2HZ LYS 75 -14.180 2.706 -1.751 620 H VAL 76 H VAL 76 -11.298 7.514 -1.924 621 HA VAL 76 HA VAL 76 -12.931 9.861 -1.743 622 HB VAL 76 HB VAL 76 -9.927 9.644 -2.103 623 HG11 VAL 76 1HG1 VAL 76 -9.846 11.885 -1.110 624 HG12 VAL 76 2HG1 VAL 76 -11.610 11.929 -1.067 625 HG13 VAL 76 3HG1 VAL 76 -10.768 11.880 -2.615 626 HG21 VAL 76 3HG2 VAL 76 -9.802 9.883 0.339 627 HG22 VAL 76 1HG2 VAL 76 -10.664 8.417 -0.128 628 HG23 VAL 76 2HG2 VAL 76 -11.562 9.828 0.433 629 H ALA 77 H ALA 77 -11.004 8.348 -4.274 630 HA ALA 77 HA ALA 77 -11.032 10.491 -6.133 631 HB1 ALA 77 3HB ALA 77 -10.738 7.534 -6.665 632 HB2 ALA 77 1HB ALA 77 -9.428 8.643 -6.255 633 HB3 ALA 77 2HB ALA 77 -10.309 8.840 -7.771 634 H ALA 78 H ALA 78 -13.262 7.827 -5.538 635 HA ALA 78 HA ALA 78 -14.852 8.195 -7.876 636 HB1 ALA 78 3HB ALA 78 -14.797 6.080 -6.639 637 HB2 ALA 78 1HB ALA 78 -16.444 6.694 -6.795 638 HB3 ALA 78 2HB ALA 78 -15.579 6.862 -5.265 639 H GLN 79 H GLN 79 -15.312 9.196 -4.474 640 HA GLN 79 HA GLN 79 -17.754 10.568 -4.913 641 HB2 GLN 79 2HB GLN 79 -17.372 11.580 -2.703 642 HB3 GLN 79 3HB GLN 79 -17.070 9.847 -2.679 643 HG2 GLN 79 2HG GLN 79 -14.665 10.260 -2.786 644 HG3 GLN 79 3HG GLN 79 -14.960 11.995 -2.844 645 HE21 GLN 79 1HE2 GLN 79 -13.748 12.313 -0.969 646 HE22 GLN 79 2HE2 GLN 79 -14.343 11.887 0.594 647 H ASN 80 H ASN 80 -14.386 11.605 -5.086 648 HA ASN 80 HA ASN 80 -15.157 14.375 -5.630 649 HB2 ASN 80 2HB ASN 80 -12.454 13.052 -5.311 650 HB3 ASN 80 3HB ASN 80 -12.668 14.758 -5.684 651 HD21 ASN 80 1HD2 ASN 80 -11.406 13.530 -3.407 652 HD22 ASN 80 2HD2 ASN 80 -12.237 14.127 -2.016 653 H TYR 81 H TYR 81 -15.522 11.974 -7.555 654 HA TYR 81 HA TYR 81 -13.804 12.321 -9.757 655 HB2 TYR 81 2HB TYR 81 -15.406 10.396 -9.382 656 HB3 TYR 81 3HB TYR 81 -16.705 11.458 -9.911 657 HD1 TYR 81 HD2 TYR 81 -16.823 12.195 -12.280 658 HD2 TYR 81 HD1 TYR 81 -13.840 9.453 -10.959 659 HE1 TYR 81 HE2 TYR 81 -16.358 11.576 -14.615 660 HE2 TYR 81 HE1 TYR 81 -13.372 8.835 -13.289 661 HH TYR 81 HH TYR 81 -14.585 8.857 -15.478 662 H ARG 82 H ARG 82 -13.505 14.142 -10.879 663 HA ARG 82 HA ARG 82 -15.195 16.389 -10.772 664 HB2 ARG 82 2HB ARG 82 -12.790 16.528 -11.243 665 HB3 ARG 82 3HB ARG 82 -13.037 15.724 -12.789 666 HG2 ARG 82 2HG ARG 82 -14.411 17.605 -13.548 667 HG3 ARG 82 3HG ARG 82 -14.168 18.407 -11.995 668 HD2 ARG 82 2HD ARG 82 -12.655 19.339 -13.639 669 HD3 ARG 82 3HD ARG 82 -11.739 18.449 -12.423 670 HE ARG 82 HE ARG 82 -12.367 16.861 -14.721 671 HH11 ARG 82 1HH1 ARG 82 -10.153 19.172 -13.437 672 HH12 ARG 82 2HH1 ARG 82 -8.896 18.747 -14.548 673 HH21 ARG 82 1HH2 ARG 82 -10.736 16.307 -16.117 674 HH22 ARG 82 2HH2 ARG 82 -9.218 17.138 -16.037 675 H LYS 83 H LYS 83 -17.252 16.224 -11.493 676 HA LYS 83 HA LYS 83 -17.699 15.158 -14.212 677 HB2 LYS 83 2HB LYS 83 -18.822 13.973 -12.319 678 HB3 LYS 83 3HB LYS 83 -19.707 15.450 -11.967 679 HG2 LYS 83 2HG LYS 83 -20.810 15.351 -14.117 680 HG3 LYS 83 3HG LYS 83 -19.850 13.942 -14.573 681 HD2 LYS 83 2HD LYS 83 -22.056 13.227 -13.857 682 HD3 LYS 83 3HD LYS 83 -20.847 12.681 -12.693 683 HE2 LYS 83 2HE LYS 83 -22.767 13.536 -11.503 684 HE3 LYS 83 3HE LYS 83 -21.404 14.626 -11.259 685 HZ1 LYS 83 3HZ LYS 83 -23.541 15.747 -11.738 686 HZ2 LYS 83 1HZ LYS 83 -23.531 15.061 -13.284 687 HZ3 LYS 83 2HZ LYS 83 -22.315 16.146 -12.831 688 H ARG 84 H ARG 84 -17.609 16.856 -15.558 689 HA ARG 84 HA ARG 84 -19.575 18.957 -15.412 690 HB2 ARG 84 2HB ARG 84 -17.942 19.904 -13.889 691 HB3 ARG 84 3HB ARG 84 -16.636 19.591 -15.021 692 HG2 ARG 84 2HG ARG 84 -17.186 21.942 -14.995 693 HG3 ARG 84 3HG ARG 84 -17.585 21.248 -16.565 694 HD2 ARG 84 2HD ARG 84 -19.920 21.224 -16.046 695 HD3 ARG 84 3HD ARG 84 -19.604 21.635 -14.359 696 HE ARG 84 HE ARG 84 -18.590 23.766 -15.523 697 HH11 ARG 84 1HH1 ARG 84 -21.509 22.114 -16.327 698 HH12 ARG 84 2HH1 ARG 84 -22.303 23.559 -16.840 699 HH21 ARG 84 1HH2 ARG 84 -19.623 25.609 -16.175 700 HH22 ARG 84 2HH2 ARG 84 -21.253 25.522 -16.752 701 H LYS 85 H LYS 85 -20.214 19.254 -17.485 702 HA LYS 85 HA LYS 85 -18.579 18.277 -19.647 703 HB2 LYS 85 2HB LYS 85 -21.153 18.213 -19.474 704 HB3 LYS 85 3HB LYS 85 -21.111 19.894 -19.974 705 HG2 LYS 85 2HG LYS 85 -19.862 17.680 -21.593 706 HG3 LYS 85 3HG LYS 85 -21.544 18.170 -21.777 707 HD2 LYS 85 2HD LYS 85 -20.759 20.475 -22.303 708 HD3 LYS 85 3HD LYS 85 -19.096 19.888 -22.236 709 HE2 LYS 85 2HE LYS 85 -19.542 18.357 -24.082 710 HE3 LYS 85 3HE LYS 85 -21.232 18.860 -24.114 711 HZ1 LYS 85 3HZ LYS 85 -20.054 19.995 -25.832 712 HZ2 LYS 85 1HZ LYS 85 -18.868 20.533 -24.758 713 HZ3 LYS 85 2HZ LYS 85 -20.444 21.126 -24.642 714 H LEU 86 H LEU 86 -16.733 19.679 -19.269 715 HA LEU 86 HA LEU 86 -16.774 22.461 -19.694 716 HB2 LEU 86 2HB LEU 86 -14.416 22.343 -20.024 717 HB3 LEU 86 3HB LEU 86 -14.829 21.169 -18.790 718 HG LEU 86 HG LEU 86 -14.291 20.466 -21.688 719 HD11 LEU 86 1HD1 LEU 86 -12.122 19.660 -20.936 720 HD12 LEU 86 2HD1 LEU 86 -12.464 20.213 -19.297 721 HD13 LEU 86 3HD1 LEU 86 -12.293 21.384 -20.605 722 HD21 LEU 86 3HD2 LEU 86 -15.712 18.838 -20.551 723 HD22 LEU 86 1HD2 LEU 86 -14.552 18.724 -19.228 724 HD23 LEU 86 2HD2 LEU 86 -14.108 18.168 -20.843 725 H GLU 87 H GLU 87 -16.431 23.711 -21.588 726 HA GLU 87 HA GLU 87 -17.592 22.427 -23.922 727 HB2 GLU 87 2HB GLU 87 -18.399 24.644 -23.113 728 HB3 GLU 87 3HB GLU 87 -16.850 25.337 -23.570 729 HG2 GLU 87 2HG GLU 87 -18.475 25.792 -25.287 730 HG3 GLU 87 3HG GLU 87 -17.263 24.674 -25.909 731 H THR 88 H THR 88 -16.101 21.200 -24.935 732 HA THR 88 HA THR 88 -13.428 22.102 -25.495 733 HB THR 88 HB THR 88 -14.880 19.763 -26.777 734 HG1 THR 88 HG1 THR 88 -13.613 18.605 -25.053 735 HG21 THR 88 3HG2 THR 88 -12.613 18.864 -27.085 736 HG22 THR 88 1HG2 THR 88 -11.930 20.326 -26.368 737 HG23 THR 88 2HG2 THR 88 -12.798 20.415 -27.900 738 H ILE 89 H ILE 89 -13.631 24.024 -26.664 739 HA ILE 89 HA ILE 89 -15.184 24.192 -29.085 740 HB ILE 89 HB ILE 89 -13.064 26.070 -28.003 741 HG12 ILE 89 2HG1 ILE 89 -16.092 26.175 -27.819 742 HG13 ILE 89 3HG1 ILE 89 -14.993 25.818 -26.490 743 HG21 ILE 89 1HG2 ILE 89 -13.356 26.386 -30.395 744 HG22 ILE 89 2HG2 ILE 89 -14.070 27.740 -29.521 745 HG23 ILE 89 3HG2 ILE 89 -15.106 26.483 -30.194 746 HD11 ILE 89 3HD1 ILE 89 -14.061 28.075 -26.673 747 HD12 ILE 89 1HD1 ILE 89 -15.797 28.096 -26.363 748 HD13 ILE 89 2HD1 ILE 89 -15.187 28.428 -27.984 749 H VAL 90 H VAL 90 -14.578 23.568 -31.069 750 HA VAL 90 HA VAL 90 -11.729 23.025 -31.587 751 HB VAL 90 HB VAL 90 -13.170 21.087 -31.929 752 HG11 VAL 90 1HG1 VAL 90 -14.874 21.042 -33.703 753 HG12 VAL 90 2HG1 VAL 90 -14.631 22.769 -33.973 754 HG13 VAL 90 3HG1 VAL 90 -15.273 22.199 -32.433 755 HG21 VAL 90 3HG2 VAL 90 -12.490 20.500 -34.205 756 HG22 VAL 90 1HG2 VAL 90 -11.196 21.351 -33.362 757 HG23 VAL 90 2HG2 VAL 90 -12.172 22.198 -34.561 758 H GLN 91 H GLN 91 -10.621 24.256 -32.975 759 HA GLN 91 HA GLN 91 -11.824 26.590 -34.119 760 HB2 GLN 91 2HB GLN 91 -9.482 26.991 -35.024 761 HB3 GLN 91 3HB GLN 91 -9.632 26.871 -33.279 762 HG2 GLN 91 2HG GLN 91 -8.801 24.580 -33.342 763 HG3 GLN 91 3HG GLN 91 -8.691 24.657 -35.098 764 HE21 GLN 91 1HE2 GLN 91 -7.704 27.406 -35.094 765 HE22 GLN 91 2HE2 GLN 91 -6.063 27.322 -34.567 Start of MODEL 5 1 H1 MET 1 1H MET 1 30.928 -9.063 -8.767 2 H2 MET 1 2H MET 1 29.316 -9.341 -8.347 3 H3 MET 1 3H MET 1 30.040 -7.861 -7.975 4 HA MET 1 HA MET 1 28.587 -7.609 -9.860 5 HB2 MET 1 2HB MET 1 31.538 -7.462 -10.542 6 HB3 MET 1 3HB MET 1 30.264 -6.686 -11.473 7 HG2 MET 1 2HG MET 1 29.655 -5.353 -9.495 8 HG3 MET 1 3HG MET 1 30.977 -6.105 -8.604 9 HE1 MET 1 3HE MET 1 32.293 -2.465 -9.149 10 HE2 MET 1 1HE MET 1 31.981 -3.740 -7.972 11 HE3 MET 1 2HE MET 1 30.637 -2.969 -8.815 12 H GLY 2 H GLY 2 28.885 -7.876 -12.463 13 HA2 GLY 2 2HA GLY 2 29.027 -9.284 -14.303 14 HA3 GLY 2 3HA GLY 2 29.764 -10.506 -13.282 15 H HIS 3 H HIS 3 27.831 -10.950 -11.381 16 HA HIS 3 HA HIS 3 26.063 -12.723 -12.582 17 HB2 HIS 3 2HB HIS 3 25.767 -11.327 -9.903 18 HB3 HIS 3 3HB HIS 3 24.910 -12.786 -10.400 19 HD1 HIS 3 HD1 HIS 3 27.964 -11.677 -8.773 20 HD2 HIS 3 HD2 HIS 3 26.737 -15.037 -10.889 21 HE1 HIS 3 HE1 HIS 3 29.668 -13.447 -8.272 22 HE2 HIS 3 HE2 HIS 3 28.983 -15.423 -9.667 23 H HIS 4 H HIS 4 24.258 -12.469 -13.721 24 HA HIS 4 HA HIS 4 23.725 -9.946 -14.764 25 HB2 HIS 4 2HB HIS 4 22.209 -12.539 -15.018 26 HB3 HIS 4 3HB HIS 4 21.798 -11.094 -15.936 27 HD1 HIS 4 HD1 HIS 4 22.480 -11.844 -18.238 28 HD2 HIS 4 HD2 HIS 4 25.493 -12.401 -15.431 29 HE1 HIS 4 HE1 HIS 4 24.515 -12.500 -19.556 30 HE2 HIS 4 HE2 HIS 4 26.362 -12.613 -17.851 31 H HIS 5 H HIS 5 22.090 -11.481 -12.045 32 HA HIS 5 HA HIS 5 20.461 -9.052 -11.843 33 HB2 HIS 5 2HB HIS 5 18.424 -10.350 -11.255 34 HB3 HIS 5 3HB HIS 5 18.947 -10.556 -12.921 35 HD1 HIS 5 HD1 HIS 5 17.880 -12.429 -10.055 36 HD2 HIS 5 HD2 HIS 5 20.424 -13.122 -13.265 37 HE1 HIS 5 HE1 HIS 5 18.128 -14.924 -10.191 38 HE2 HIS 5 HE2 HIS 5 19.500 -15.317 -12.259 39 H HIS 6 H HIS 6 22.683 -10.779 -10.298 40 HA HIS 6 HA HIS 6 23.453 -10.756 -8.138 41 HB2 HIS 6 2HB HIS 6 23.494 -8.390 -8.721 42 HB3 HIS 6 3HB HIS 6 21.826 -8.202 -8.206 43 HD1 HIS 6 HD1 HIS 6 21.446 -7.561 -5.826 44 HD2 HIS 6 HD2 HIS 6 25.333 -8.868 -6.490 45 HE1 HIS 6 HE1 HIS 6 22.688 -7.071 -3.705 46 HE2 HIS 6 HE2 HIS 6 25.066 -7.709 -4.190 47 H HIS 7 H HIS 7 20.931 -12.272 -8.427 48 HA HIS 7 HA HIS 7 19.157 -11.620 -6.298 49 HB2 HIS 7 2HB HIS 7 18.397 -12.907 -8.232 50 HB3 HIS 7 3HB HIS 7 19.482 -14.225 -7.806 51 HD1 HIS 7 HD1 HIS 7 18.809 -15.703 -5.760 52 HD2 HIS 7 HD2 HIS 7 16.023 -12.781 -6.759 53 HE1 HIS 7 HE1 HIS 7 16.715 -16.312 -4.513 54 HE2 HIS 7 HE2 HIS 7 15.034 -14.558 -5.157 55 H HIS 8 H HIS 8 20.271 -11.450 -4.358 56 HA HIS 8 HA HIS 8 20.781 -14.036 -3.064 57 HB2 HIS 8 2HB HIS 8 23.011 -13.178 -3.632 58 HB3 HIS 8 3HB HIS 8 22.641 -11.645 -2.850 59 HD1 HIS 8 HD1 HIS 8 23.137 -11.480 -0.391 60 HD2 HIS 8 HD2 HIS 8 23.219 -15.403 -1.761 61 HE1 HIS 8 HE1 HIS 8 23.978 -12.845 1.533 62 HE2 HIS 8 HE2 HIS 8 23.894 -15.223 0.733 63 H SER 9 H SER 9 20.324 -14.063 -0.815 64 HA SER 9 HA SER 9 18.331 -12.299 0.104 65 HB2 SER 9 2HB SER 9 18.686 -13.371 2.331 66 HB3 SER 9 3HB SER 9 18.502 -14.537 1.022 67 HG SER 9 HG SER 9 20.844 -13.782 2.414 68 H HIS 10 H HIS 10 18.993 -10.186 -0.063 69 HA HIS 10 HA HIS 10 21.366 -9.194 1.256 70 HB2 HIS 10 2HB HIS 10 20.521 -8.215 -0.851 71 HB3 HIS 10 3HB HIS 10 19.040 -7.728 -0.036 72 HD1 HIS 10 HD1 HIS 10 22.588 -6.760 -0.544 73 HD2 HIS 10 HD2 HIS 10 19.324 -5.489 1.695 74 HE1 HIS 10 HE1 HIS 10 23.188 -4.470 0.283 75 HE2 HIS 10 HE2 HIS 10 21.121 -3.648 1.449 76 H MET 11 H MET 11 18.002 -9.549 1.996 77 HA MET 11 HA MET 11 18.275 -7.942 4.452 78 HB2 MET 11 2HB MET 11 15.743 -7.830 4.335 79 HB3 MET 11 3HB MET 11 16.619 -6.950 3.091 80 HG2 MET 11 2HG MET 11 15.337 -9.660 2.741 81 HG3 MET 11 3HG MET 11 14.669 -8.124 2.186 82 HE1 MET 11 3HE MET 11 14.422 -8.877 -0.327 83 HE2 MET 11 1HE MET 11 14.928 -10.493 0.170 84 HE3 MET 11 2HE MET 11 15.687 -9.718 -1.223 85 H ALA 12 H ALA 12 16.860 -8.653 6.277 86 HA ALA 12 HA ALA 12 17.399 -11.439 6.839 87 HB1 ALA 12 3HB ALA 12 16.157 -9.316 8.587 88 HB2 ALA 12 1HB ALA 12 17.879 -9.682 8.478 89 HB3 ALA 12 2HB ALA 12 16.759 -10.888 9.116 90 H LYS 13 H LYS 13 15.201 -10.732 4.913 91 HA LYS 13 HA LYS 13 13.211 -11.612 4.268 92 HB2 LYS 13 2HB LYS 13 13.459 -13.288 6.778 93 HB3 LYS 13 3HB LYS 13 12.275 -13.550 5.505 94 HG2 LYS 13 2HG LYS 13 14.013 -14.087 3.926 95 HG3 LYS 13 3HG LYS 13 15.260 -13.671 5.100 96 HD2 LYS 13 2HD LYS 13 14.948 -16.103 4.917 97 HD3 LYS 13 3HD LYS 13 14.558 -15.514 6.535 98 HE2 LYS 13 2HE LYS 13 12.175 -15.577 5.991 99 HE3 LYS 13 3HE LYS 13 12.555 -16.120 4.356 100 HZ1 LYS 13 3HZ LYS 13 13.475 -18.137 5.239 101 HZ2 LYS 13 1HZ LYS 13 11.909 -17.939 5.842 102 HZ3 LYS 13 2HZ LYS 13 13.240 -17.612 6.828 103 HA PRO 14 HA PRO 14 10.339 -9.013 6.520 104 HB2 PRO 14 2HB PRO 14 8.287 -9.696 4.579 105 HB3 PRO 14 3HB PRO 14 9.166 -8.178 4.765 106 HG2 PRO 14 2HG PRO 14 9.480 -9.863 2.630 107 HG3 PRO 14 3HG PRO 14 10.735 -8.746 3.201 108 HD2 PRO 14 2HD PRO 14 10.452 -11.697 3.685 109 HD3 PRO 14 3HD PRO 14 11.915 -10.745 3.344 110 H THR 15 H THR 15 10.242 -10.551 8.315 111 HA THR 15 HA THR 15 8.237 -12.621 8.291 112 HB THR 15 HB THR 15 9.661 -11.406 10.679 113 HG1 THR 15 HG1 THR 15 11.311 -12.588 10.083 114 HG21 THR 15 3HG2 THR 15 9.067 -13.491 11.827 115 HG22 THR 15 1HG2 THR 15 8.193 -14.039 10.397 116 HG23 THR 15 2HG2 THR 15 7.619 -12.634 11.299 117 H ALA 16 H ALA 16 6.350 -11.488 7.655 118 HA ALA 16 HA ALA 16 5.321 -9.398 9.418 119 HB1 ALA 16 3HB ALA 16 3.584 -9.099 7.751 120 HB2 ALA 16 1HB ALA 16 4.139 -10.534 6.887 121 HB3 ALA 16 2HB ALA 16 5.172 -9.108 6.986 122 H ARG 17 H ARG 17 4.270 -10.018 11.200 123 HA ARG 17 HA ARG 17 2.557 -12.422 11.115 124 HB2 ARG 17 2HB ARG 17 3.745 -11.005 13.517 125 HB3 ARG 17 3HB ARG 17 2.799 -12.489 13.558 126 HG2 ARG 17 2HG ARG 17 5.474 -12.167 12.194 127 HG3 ARG 17 3HG ARG 17 5.216 -12.894 13.782 128 HD2 ARG 17 2HD ARG 17 3.949 -13.909 11.235 129 HD3 ARG 17 3HD ARG 17 5.461 -14.532 11.899 130 HE ARG 17 HE ARG 17 3.993 -14.975 13.970 131 HH11 ARG 17 1HH1 ARG 17 2.828 -15.147 10.730 132 HH12 ARG 17 2HH1 ARG 17 1.718 -16.423 11.086 133 HH21 ARG 17 1HH2 ARG 17 2.579 -16.617 14.408 134 HH22 ARG 17 2HH2 ARG 17 1.593 -17.259 13.139 135 H GLY 18 H GLY 18 0.432 -11.979 10.899 136 HA2 GLY 18 2HA GLY 18 -0.839 -9.958 12.532 137 HA3 GLY 18 3HA GLY 18 -0.785 -9.539 10.827 138 H GLU 19 H GLU 19 -3.217 -9.598 11.616 139 HA GLU 19 HA GLU 19 -4.341 -12.050 10.493 140 HB2 GLU 19 2HB GLU 19 -5.923 -12.356 12.353 141 HB3 GLU 19 3HB GLU 19 -4.259 -12.514 12.898 142 HG2 GLU 19 2HG GLU 19 -4.375 -10.136 13.679 143 HG3 GLU 19 3HG GLU 19 -6.097 -10.164 13.310 144 H ALA 20 H ALA 20 -6.113 -11.653 9.241 145 HA ALA 20 HA ALA 20 -7.873 -9.418 9.754 146 HB1 ALA 20 3HB ALA 20 -6.254 -9.398 7.200 147 HB2 ALA 20 1HB ALA 20 -6.035 -8.298 8.565 148 HB3 ALA 20 2HB ALA 20 -7.534 -8.267 7.638 149 H GLY 21 H GLY 21 -9.791 -9.420 8.444 150 HA2 GLY 21 2HA GLY 21 -10.241 -11.963 6.980 151 HA3 GLY 21 3HA GLY 21 -11.444 -11.246 8.036 152 H SER 22 H SER 22 -9.877 -8.805 6.384 153 HA SER 22 HA SER 22 -12.104 -8.553 4.483 154 HB2 SER 22 2HB SER 22 -10.061 -6.505 5.402 155 HB3 SER 22 3HB SER 22 -11.405 -6.182 4.308 156 HG SER 22 HG SER 22 -11.768 -5.658 6.577 157 H ARG 23 H ARG 23 -11.664 -7.865 2.254 158 HA ARG 23 HA ARG 23 -9.935 -9.701 1.022 159 HB2 ARG 23 2HB ARG 23 -10.896 -7.215 -0.386 160 HB3 ARG 23 3HB ARG 23 -10.562 -8.788 -1.078 161 HG2 ARG 23 2HG ARG 23 -12.858 -8.720 -1.125 162 HG3 ARG 23 3HG ARG 23 -12.571 -9.570 0.395 163 HD2 ARG 23 2HD ARG 23 -14.305 -7.682 0.402 164 HD3 ARG 23 3HD ARG 23 -13.092 -7.672 1.682 165 HE ARG 23 HE ARG 23 -11.893 -5.973 0.313 166 HH11 ARG 23 1HH1 ARG 23 -15.282 -6.403 -0.179 167 HH12 ARG 23 2HH1 ARG 23 -15.514 -4.762 -0.684 168 HH21 ARG 23 1HH2 ARG 23 -12.200 -3.902 -0.341 169 HH22 ARG 23 2HH2 ARG 23 -13.791 -3.360 -0.772 170 H ASP 24 H ASP 24 -9.673 -6.145 0.905 171 HA ASP 24 HA ASP 24 -7.229 -6.049 -0.448 172 HB2 ASP 24 2HB ASP 24 -8.332 -3.956 1.446 173 HB3 ASP 24 3HB ASP 24 -7.220 -3.690 0.103 174 H GLU 25 H GLU 25 -7.951 -6.110 2.992 175 HA GLU 25 HA GLU 25 -5.298 -5.706 3.923 176 HB2 GLU 25 2HB GLU 25 -7.775 -6.873 5.199 177 HB3 GLU 25 3HB GLU 25 -6.252 -6.737 6.063 178 HG2 GLU 25 2HG GLU 25 -7.784 -4.900 6.579 179 HG3 GLU 25 3HG GLU 25 -6.281 -4.340 5.854 180 H ARG 26 H ARG 26 -7.138 -8.589 3.038 181 HA ARG 26 HA ARG 26 -5.351 -10.509 4.103 182 HB2 ARG 26 2HB ARG 26 -7.467 -10.628 1.973 183 HB3 ARG 26 3HB ARG 26 -6.435 -12.018 2.284 184 HG2 ARG 26 2HG ARG 26 -7.185 -12.066 4.613 185 HG3 ARG 26 3HG ARG 26 -8.209 -10.659 4.317 186 HD2 ARG 26 2HD ARG 26 -9.567 -11.904 2.769 187 HD3 ARG 26 3HD ARG 26 -8.467 -13.283 2.841 188 HE ARG 26 HE ARG 26 -9.364 -12.793 5.429 189 HH11 ARG 26 1HH1 ARG 26 -10.717 -13.732 2.408 190 HH12 ARG 26 2HH1 ARG 26 -11.944 -14.706 3.142 191 HH21 ARG 26 1HH2 ARG 26 -10.948 -14.049 6.358 192 HH22 ARG 26 2HH2 ARG 26 -12.068 -14.891 5.348 193 H ARG 27 H ARG 27 -5.234 -8.643 1.156 194 HA ARG 27 HA ARG 27 -3.327 -10.109 -0.287 195 HB2 ARG 27 2HB ARG 27 -3.693 -7.112 -0.071 196 HB3 ARG 27 3HB ARG 27 -2.644 -7.891 -1.246 197 HG2 ARG 27 2HG ARG 27 -4.578 -9.023 -2.229 198 HG3 ARG 27 3HG ARG 27 -5.633 -8.242 -1.049 199 HD2 ARG 27 2HD ARG 27 -5.006 -6.048 -1.917 200 HD3 ARG 27 3HD ARG 27 -3.907 -6.804 -3.068 201 HE ARG 27 HE ARG 27 -5.847 -7.744 -4.178 202 HH11 ARG 27 1HH1 ARG 27 -6.410 -5.195 -1.951 203 HH12 ARG 27 2HH1 ARG 27 -7.944 -4.781 -2.620 204 HH21 ARG 27 1HH2 ARG 27 -7.799 -7.186 -5.076 205 HH22 ARG 27 2HH2 ARG 27 -8.722 -5.898 -4.391 206 H ALA 28 H ALA 28 -2.906 -7.736 2.306 207 HA ALA 28 HA ALA 28 -0.105 -7.516 2.198 208 HB1 ALA 28 3HB ALA 28 -1.511 -5.896 3.348 209 HB2 ALA 28 1HB ALA 28 -0.284 -6.540 4.439 210 HB3 ALA 28 2HB ALA 28 -1.952 -7.107 4.551 211 H LEU 29 H LEU 29 -2.088 -9.413 4.502 212 HA LEU 29 HA LEU 29 0.119 -10.679 5.728 213 HB2 LEU 29 2HB LEU 29 -1.568 -12.241 6.685 214 HB3 LEU 29 3HB LEU 29 -1.926 -10.544 6.926 215 HG LEU 29 HG LEU 29 -3.429 -10.859 4.782 216 HD11 LEU 29 1HD1 LEU 29 -3.331 -13.679 5.852 217 HD12 LEU 29 2HD1 LEU 29 -2.739 -13.141 4.282 218 HD13 LEU 29 3HD1 LEU 29 -4.462 -13.064 4.645 219 HD21 LEU 29 3HD2 LEU 29 -5.336 -11.405 6.240 220 HD22 LEU 29 1HD2 LEU 29 -4.273 -10.185 6.943 221 HD23 LEU 29 2HD2 LEU 29 -4.209 -11.852 7.521 222 H ALA 30 H ALA 30 -1.692 -11.500 2.847 223 HA ALA 30 HA ALA 30 -0.824 -14.192 2.586 224 HB1 ALA 30 3HB ALA 30 -1.688 -12.242 0.446 225 HB2 ALA 30 1HB ALA 30 -2.735 -13.344 1.342 226 HB3 ALA 30 2HB ALA 30 -1.520 -13.984 0.234 227 H MET 31 H MET 31 0.429 -11.170 1.151 228 HA MET 31 HA MET 31 2.806 -12.568 0.164 229 HB2 MET 31 2HB MET 31 1.863 -9.709 -0.147 230 HB3 MET 31 3HB MET 31 3.371 -10.320 -0.817 231 HG2 MET 31 2HG MET 31 0.620 -11.352 -1.495 232 HG3 MET 31 3HG MET 31 1.564 -10.230 -2.476 233 HE1 MET 31 3HE MET 31 4.629 -12.448 -3.510 234 HE2 MET 31 1HE MET 31 4.478 -11.269 -2.209 235 HE3 MET 31 2HE MET 31 3.801 -10.918 -3.800 236 H LYS 32 H LYS 32 1.992 -11.542 3.070 237 HA LYS 32 HA LYS 32 3.047 -10.942 4.970 238 HB2 LYS 32 2HB LYS 32 5.502 -11.812 3.429 239 HB3 LYS 32 3HB LYS 32 5.482 -11.470 5.157 240 HG2 LYS 32 2HG LYS 32 3.806 -13.255 5.466 241 HG3 LYS 32 3HG LYS 32 3.909 -13.624 3.742 242 HD2 LYS 32 2HD LYS 32 6.303 -14.151 4.015 243 HD3 LYS 32 3HD LYS 32 6.172 -13.808 5.743 244 HE2 LYS 32 2HE LYS 32 4.675 -15.970 4.249 245 HE3 LYS 32 3HE LYS 32 6.089 -16.216 5.273 246 HZ1 LYS 32 3HZ LYS 32 4.845 -15.495 7.179 247 HZ2 LYS 32 1HZ LYS 32 3.976 -16.716 6.398 248 HZ3 LYS 32 2HZ LYS 32 3.501 -15.104 6.226 249 H ILE 33 H ILE 33 2.310 -8.758 4.299 250 HA ILE 33 HA ILE 33 4.527 -6.866 3.893 251 HB ILE 33 HB ILE 33 1.536 -6.383 3.883 252 HG12 ILE 33 2HG1 ILE 33 2.242 -7.706 1.949 253 HG13 ILE 33 3HG1 ILE 33 1.799 -6.080 1.444 254 HG21 ILE 33 1HG2 ILE 33 3.800 -4.505 3.206 255 HG22 ILE 33 2HG2 ILE 33 2.726 -4.397 4.604 256 HG23 ILE 33 3HG2 ILE 33 2.083 -4.166 2.978 257 HD11 ILE 33 3HD1 ILE 33 4.595 -7.135 1.800 258 HD12 ILE 33 1HD1 ILE 33 4.176 -5.484 1.338 259 HD13 ILE 33 2HD1 ILE 33 3.767 -6.829 0.273 260 HA PRO 34 HA PRO 34 4.276 -6.609 8.372 261 HB2 PRO 34 2HB PRO 34 6.624 -5.383 8.816 262 HB3 PRO 34 3HB PRO 34 6.538 -7.057 8.255 263 HG2 PRO 34 2HG PRO 34 7.072 -4.561 6.682 264 HG3 PRO 34 3HG PRO 34 7.881 -6.137 6.589 265 HD2 PRO 34 2HD PRO 34 5.912 -5.315 4.853 266 HD3 PRO 34 3HD PRO 34 6.271 -7.015 5.212 267 H PHE 35 H PHE 35 3.092 -4.319 6.607 268 HA PHE 35 HA PHE 35 2.892 -2.472 8.849 269 HB2 PHE 35 2HB PHE 35 3.214 -0.468 7.347 270 HB3 PHE 35 3HB PHE 35 4.664 -1.389 7.710 271 HD1 PHE 35 HD2 PHE 35 2.232 -0.514 5.084 272 HD2 PHE 35 HD1 PHE 35 5.864 -2.553 6.002 273 HE1 PHE 35 HE2 PHE 35 2.752 -0.679 2.685 274 HE2 PHE 35 HE1 PHE 35 6.381 -2.712 3.609 275 HZ PHE 35 HZ PHE 35 4.828 -1.778 1.944 276 HA PRO 36 HA PRO 36 -1.365 -2.476 8.021 277 HB2 PRO 36 2HB PRO 36 -2.094 0.082 8.712 278 HB3 PRO 36 3HB PRO 36 -1.709 -1.190 9.874 279 HG2 PRO 36 2HG PRO 36 0.041 1.009 8.832 280 HG3 PRO 36 3HG PRO 36 -0.160 0.435 10.499 281 HD2 PRO 36 2HD PRO 36 1.951 -0.297 9.028 282 HD3 PRO 36 3HD PRO 36 1.170 -1.443 10.142 283 H THR 37 H THR 37 -2.799 -2.212 6.411 284 HA THR 37 HA THR 37 -2.052 -1.061 3.939 285 HB THR 37 HB THR 37 -4.375 -1.590 3.216 286 HG1 THR 37 HG1 THR 37 -5.842 -2.375 4.692 287 HG21 THR 37 3HG2 THR 37 -2.648 -3.346 3.171 288 HG22 THR 37 1HG2 THR 37 -4.238 -4.016 3.535 289 HG23 THR 37 2HG2 THR 37 -3.059 -3.790 4.828 290 H ASP 38 H ASP 38 -4.258 0.057 6.474 291 HA ASP 38 HA ASP 38 -5.524 2.147 5.157 292 HB2 ASP 38 2HB ASP 38 -5.787 3.134 7.475 293 HB3 ASP 38 3HB ASP 38 -6.322 1.465 7.301 294 H LYS 39 H LYS 39 -2.439 2.175 6.896 295 HA LYS 39 HA LYS 39 -1.930 4.939 6.661 296 HB2 LYS 39 2HB LYS 39 -0.793 3.409 8.256 297 HB3 LYS 39 3HB LYS 39 0.073 2.685 6.908 298 HG2 LYS 39 2HG LYS 39 1.245 4.722 6.471 299 HG3 LYS 39 3HG LYS 39 0.252 5.607 7.631 300 HD2 LYS 39 2HD LYS 39 2.156 3.353 8.294 301 HD3 LYS 39 3HD LYS 39 2.472 5.069 8.546 302 HE2 LYS 39 2HE LYS 39 0.489 5.153 10.059 303 HE3 LYS 39 3HE LYS 39 0.327 3.409 9.877 304 HZ1 LYS 39 3HZ LYS 39 2.576 3.181 10.809 305 HZ2 LYS 39 1HZ LYS 39 1.497 3.912 11.893 306 HZ3 LYS 39 2HZ LYS 39 2.632 4.851 11.062 307 H ILE 40 H ILE 40 -1.211 2.206 4.539 308 HA ILE 40 HA ILE 40 0.518 3.389 2.698 309 HB ILE 40 HB ILE 40 -1.678 1.379 2.130 310 HG12 ILE 40 2HG1 ILE 40 1.238 0.909 2.827 311 HG13 ILE 40 3HG1 ILE 40 -0.116 0.674 3.929 312 HG21 ILE 40 1HG2 ILE 40 0.816 2.034 0.557 313 HG22 ILE 40 2HG2 ILE 40 -0.848 2.365 0.076 314 HG23 ILE 40 3HG2 ILE 40 -0.287 0.699 0.215 315 HD11 ILE 40 3HD1 ILE 40 0.658 -1.432 3.001 316 HD12 ILE 40 1HD1 ILE 40 0.352 -0.842 1.370 317 HD13 ILE 40 2HD1 ILE 40 -0.991 -1.084 2.483 318 H VAL 41 H VAL 41 -3.015 3.473 2.848 319 HA VAL 41 HA VAL 41 -3.371 4.918 0.401 320 HB VAL 41 HB VAL 41 -5.291 4.531 2.713 321 HG11 VAL 41 1HG1 VAL 41 -5.814 5.415 -0.129 322 HG12 VAL 41 2HG1 VAL 41 -5.979 6.399 1.325 323 HG13 VAL 41 3HG1 VAL 41 -7.055 5.027 1.063 324 HG21 VAL 41 3HG2 VAL 41 -4.553 2.406 1.761 325 HG22 VAL 41 1HG2 VAL 41 -4.993 2.962 0.147 326 HG23 VAL 41 2HG2 VAL 41 -6.244 2.716 1.368 327 H ASN 42 H ASN 42 -3.094 5.816 3.800 328 HA ASN 42 HA ASN 42 -4.005 8.513 3.467 329 HB2 ASN 42 2HB ASN 42 -2.583 7.091 5.716 330 HB3 ASN 42 3HB ASN 42 -3.019 8.792 5.800 331 HD21 ASN 42 1HD2 ASN 42 -5.043 6.451 4.171 332 HD22 ASN 42 2HD2 ASN 42 -6.307 6.463 5.341 333 H LEU 43 H LEU 43 -0.794 7.000 3.610 334 HA LEU 43 HA LEU 43 0.677 9.414 3.832 335 HB2 LEU 43 2HB LEU 43 1.513 6.690 2.828 336 HB3 LEU 43 3HB LEU 43 2.627 8.022 3.081 337 HG LEU 43 HG LEU 43 0.995 6.621 5.210 338 HD11 LEU 43 1HD1 LEU 43 3.973 6.684 4.701 339 HD12 LEU 43 2HD1 LEU 43 2.897 5.316 4.411 340 HD13 LEU 43 3HD1 LEU 43 3.169 5.890 6.057 341 HD21 LEU 43 3HD2 LEU 43 1.173 8.987 5.737 342 HD22 LEU 43 1HD2 LEU 43 2.915 8.942 5.459 343 HD23 LEU 43 2HD2 LEU 43 2.213 8.050 6.808 344 HA PRO 44 HA PRO 44 0.564 10.839 -0.432 345 HB2 PRO 44 2HB PRO 44 2.543 12.694 -0.244 346 HB3 PRO 44 3HB PRO 44 0.922 12.950 0.411 347 HG2 PRO 44 2HG PRO 44 3.425 12.107 1.826 348 HG3 PRO 44 3HG PRO 44 2.196 13.282 2.332 349 HD2 PRO 44 2HD PRO 44 2.296 10.737 3.288 350 HD3 PRO 44 3HD PRO 44 0.775 11.636 3.112 351 H VAL 45 H VAL 45 2.355 11.336 -2.178 352 HA VAL 45 HA VAL 45 3.430 8.852 -2.833 353 HB VAL 45 HB VAL 45 2.896 10.542 -4.522 354 HG11 VAL 45 1HG1 VAL 45 3.720 12.531 -3.370 355 HG12 VAL 45 2HG1 VAL 45 4.408 12.406 -4.990 356 HG13 VAL 45 3HG1 VAL 45 5.383 11.978 -3.583 357 HG21 VAL 45 3HG2 VAL 45 4.798 10.157 -6.012 358 HG22 VAL 45 1HG2 VAL 45 4.399 8.697 -5.106 359 HG23 VAL 45 2HG2 VAL 45 5.791 9.675 -4.636 360 H ASP 46 H ASP 46 5.155 11.658 -1.426 361 HA ASP 46 HA ASP 46 7.758 10.584 -1.653 362 HB2 ASP 46 2HB ASP 46 7.340 12.963 -1.230 363 HB3 ASP 46 3HB ASP 46 6.688 12.575 0.360 364 H ASP 47 H ASP 47 5.647 10.718 1.239 365 HA ASP 47 HA ASP 47 7.210 9.106 2.907 366 HB2 ASP 47 2HB ASP 47 4.198 9.445 2.864 367 HB3 ASP 47 3HB ASP 47 5.121 8.762 4.201 368 H PHE 48 H PHE 48 4.745 8.221 0.540 369 HA PHE 48 HA PHE 48 4.552 5.470 1.079 370 HB2 PHE 48 2HB PHE 48 2.961 6.661 -0.349 371 HB3 PHE 48 3HB PHE 48 4.223 6.982 -1.530 372 HD1 PHE 48 HD2 PHE 48 2.431 4.173 0.137 373 HD2 PHE 48 HD1 PHE 48 4.520 5.523 -3.324 374 HE1 PHE 48 HE2 PHE 48 1.859 2.083 -1.024 375 HE2 PHE 48 HE1 PHE 48 3.947 3.432 -4.487 376 HZ PHE 48 HZ PHE 48 2.617 1.709 -3.334 377 H ASN 49 H ASN 49 6.631 7.187 -1.284 378 HA ASN 49 HA ASN 49 8.020 4.923 -2.220 379 HB2 ASN 49 2HB ASN 49 8.917 7.809 -2.079 380 HB3 ASN 49 3HB ASN 49 9.745 6.549 -2.992 381 HD21 ASN 49 1HD2 ASN 49 8.542 8.991 -3.967 382 HD22 ASN 49 2HD2 ASN 49 7.348 8.516 -5.119 383 H GLU 50 H GLU 50 8.835 7.195 0.399 384 HA GLU 50 HA GLU 50 11.222 6.057 1.270 385 HB2 GLU 50 2HB GLU 50 8.998 7.431 2.787 386 HB3 GLU 50 3HB GLU 50 10.465 6.881 3.587 387 HG2 GLU 50 2HG GLU 50 10.379 8.843 1.296 388 HG3 GLU 50 3HG GLU 50 10.515 9.274 3.001 389 H LEU 51 H LEU 51 7.909 5.286 2.300 390 HA LEU 51 HA LEU 51 8.381 3.291 4.138 391 HB2 LEU 51 2HB LEU 51 6.185 4.343 3.520 392 HB3 LEU 51 3HB LEU 51 6.153 3.329 2.092 393 HG LEU 51 HG LEU 51 6.134 1.318 3.580 394 HD11 LEU 51 1HD1 LEU 51 7.159 2.293 5.561 395 HD12 LEU 51 2HD1 LEU 51 5.571 1.630 5.952 396 HD13 LEU 51 3HD1 LEU 51 5.780 3.373 5.766 397 HD21 LEU 51 3HD2 LEU 51 3.791 1.529 4.206 398 HD22 LEU 51 1HD2 LEU 51 4.071 2.249 2.620 399 HD23 LEU 51 2HD2 LEU 51 3.882 3.281 4.038 400 H LEU 52 H LEU 52 7.958 2.884 0.615 401 HA LEU 52 HA LEU 52 8.372 0.085 0.578 402 HB2 LEU 52 2HB LEU 52 8.742 2.129 -1.612 403 HB3 LEU 52 3HB LEU 52 8.749 0.392 -1.864 404 HG LEU 52 HG LEU 52 6.405 2.049 -0.906 405 HD11 LEU 52 1HD1 LEU 52 6.890 0.582 -3.501 406 HD12 LEU 52 2HD1 LEU 52 6.853 2.333 -3.277 407 HD13 LEU 52 3HD1 LEU 52 5.386 1.385 -3.039 408 HD21 LEU 52 3HD2 LEU 52 6.375 -0.133 0.171 409 HD22 LEU 52 1HD2 LEU 52 6.604 -0.929 -1.388 410 HD23 LEU 52 2HD2 LEU 52 5.114 -0.041 -1.059 411 H ALA 53 H ALA 53 10.635 2.773 0.452 412 HA ALA 53 HA ALA 53 12.873 1.116 -0.349 413 HB1 ALA 53 3HB ALA 53 14.201 3.160 -0.090 414 HB2 ALA 53 1HB ALA 53 12.806 3.977 0.615 415 HB3 ALA 53 2HB ALA 53 12.758 3.441 -1.065 416 H ARG 54 H ARG 54 11.414 2.043 2.630 417 HA ARG 54 HA ARG 54 13.811 1.562 4.218 418 HB2 ARG 54 2HB ARG 54 10.999 2.362 4.983 419 HB3 ARG 54 3HB ARG 54 12.316 2.172 6.131 420 HG2 ARG 54 2HG ARG 54 13.553 3.969 5.077 421 HG3 ARG 54 3HG ARG 54 12.326 4.115 3.818 422 HD2 ARG 54 2HD ARG 54 10.669 4.724 5.545 423 HD3 ARG 54 3HD ARG 54 11.937 4.636 6.768 424 HE ARG 54 HE ARG 54 12.460 6.448 4.564 425 HH11 ARG 54 1HH1 ARG 54 11.197 6.068 7.738 426 HH12 ARG 54 2HH1 ARG 54 11.400 7.737 8.139 427 HH21 ARG 54 1HH2 ARG 54 12.669 8.586 5.051 428 HH22 ARG 54 2HH2 ARG 54 12.219 9.159 6.625 429 H TYR 55 H TYR 55 11.116 -0.261 3.122 430 HA TYR 55 HA TYR 55 11.542 -2.279 5.223 431 HB2 TYR 55 2HB TYR 55 9.203 -1.695 3.417 432 HB3 TYR 55 3HB TYR 55 9.357 -3.249 4.234 433 HD1 TYR 55 HD2 TYR 55 9.362 0.421 4.951 434 HD2 TYR 55 HD1 TYR 55 8.534 -3.494 6.400 435 HE1 TYR 55 HE2 TYR 55 8.399 1.387 6.995 436 HE2 TYR 55 HE1 TYR 55 7.573 -2.539 8.449 437 HH TYR 55 HH TYR 55 7.684 -0.497 9.758 438 HA PRO 56 HA PRO 56 13.663 -4.896 2.419 439 HB2 PRO 56 2HB PRO 56 13.496 -7.248 3.703 440 HB3 PRO 56 3HB PRO 56 14.367 -5.876 4.397 441 HG2 PRO 56 2HG PRO 56 11.584 -6.841 4.993 442 HG3 PRO 56 3HG PRO 56 12.867 -6.373 6.126 443 HD2 PRO 56 2HD PRO 56 10.840 -4.700 5.400 444 HD3 PRO 56 3HD PRO 56 12.455 -4.124 5.861 445 H LEU 57 H LEU 57 11.022 -4.442 1.419 446 HA LEU 57 HA LEU 57 9.785 -6.999 0.853 447 HB2 LEU 57 2HB LEU 57 9.173 -4.266 -0.296 448 HB3 LEU 57 3HB LEU 57 8.168 -5.696 -0.439 449 HG LEU 57 HG LEU 57 8.767 -4.181 2.108 450 HD11 LEU 57 1HD1 LEU 57 6.376 -3.642 2.051 451 HD12 LEU 57 2HD1 LEU 57 6.226 -4.470 0.502 452 HD13 LEU 57 3HD1 LEU 57 7.220 -3.017 0.634 453 HD21 LEU 57 3HD2 LEU 57 7.199 -5.695 3.201 454 HD22 LEU 57 1HD2 LEU 57 8.567 -6.590 2.539 455 HD23 LEU 57 2HD2 LEU 57 7.013 -6.612 1.705 456 H THR 58 H THR 58 9.717 -8.072 -1.128 457 HA THR 58 HA THR 58 11.831 -7.453 -3.033 458 HB THR 58 HB THR 58 11.215 -9.511 -4.177 459 HG1 THR 58 HG1 THR 58 9.416 -10.695 -3.575 460 HG21 THR 58 3HG2 THR 58 11.616 -11.133 -2.387 461 HG22 THR 58 1HG2 THR 58 11.218 -9.911 -1.179 462 HG23 THR 58 2HG2 THR 58 12.649 -9.716 -2.192 463 H GLU 59 H GLU 59 11.310 -7.518 -5.411 464 HA GLU 59 HA GLU 59 9.851 -5.327 -6.177 465 HB2 GLU 59 2HB GLU 59 10.553 -7.800 -7.765 466 HB3 GLU 59 3HB GLU 59 9.890 -6.342 -8.493 467 HG2 GLU 59 2HG GLU 59 11.799 -5.065 -7.885 468 HG3 GLU 59 3HG GLU 59 12.414 -6.359 -6.856 469 H SER 60 H SER 60 8.640 -8.638 -5.898 470 HA SER 60 HA SER 60 6.135 -8.187 -7.173 471 HB2 SER 60 2HB SER 60 5.441 -10.312 -6.140 472 HB3 SER 60 3HB SER 60 7.049 -10.457 -6.846 473 HG SER 60 HG SER 60 7.694 -11.047 -4.946 474 H GLN 61 H GLN 61 7.203 -7.997 -3.802 475 HA GLN 61 HA GLN 61 4.640 -7.620 -2.655 476 HB2 GLN 61 2HB GLN 61 7.353 -6.798 -1.596 477 HB3 GLN 61 3HB GLN 61 5.873 -6.870 -0.650 478 HG2 GLN 61 2HG GLN 61 5.747 -9.304 -1.103 479 HG3 GLN 61 3HG GLN 61 7.287 -9.193 -1.954 480 HE21 GLN 61 1HE2 GLN 61 5.719 -9.133 1.146 481 HE22 GLN 61 2HE2 GLN 61 7.153 -9.231 2.095 482 H LEU 62 H LEU 62 7.129 -5.260 -3.687 483 HA LEU 62 HA LEU 62 5.778 -2.940 -2.848 484 HB2 LEU 62 2HB LEU 62 7.725 -3.352 -5.120 485 HB3 LEU 62 3HB LEU 62 7.073 -1.778 -4.710 486 HG LEU 62 HG LEU 62 8.049 -2.177 -2.359 487 HD11 LEU 62 1HD1 LEU 62 9.617 -4.256 -3.869 488 HD12 LEU 62 2HD1 LEU 62 8.477 -4.554 -2.557 489 HD13 LEU 62 3HD1 LEU 62 9.968 -3.668 -2.243 490 HD21 LEU 62 3HD2 LEU 62 8.961 -0.554 -3.937 491 HD22 LEU 62 1HD2 LEU 62 9.911 -1.825 -4.711 492 HD23 LEU 62 2HD2 LEU 62 10.250 -1.361 -3.042 493 H ALA 63 H ALA 63 5.553 -4.750 -5.890 494 HA ALA 63 HA ALA 63 3.837 -3.041 -7.292 495 HB1 ALA 63 3HB ALA 63 4.980 -4.966 -8.310 496 HB2 ALA 63 1HB ALA 63 3.248 -4.981 -8.638 497 HB3 ALA 63 2HB ALA 63 3.924 -6.058 -7.416 498 H LEU 64 H LEU 64 3.101 -5.638 -4.979 499 HA LEU 64 HA LEU 64 0.294 -5.526 -5.115 500 HB2 LEU 64 2HB LEU 64 1.542 -7.319 -3.978 501 HB3 LEU 64 3HB LEU 64 2.047 -6.184 -2.739 502 HG LEU 64 HG LEU 64 -0.411 -5.855 -2.202 503 HD11 LEU 64 1HD1 LEU 64 -0.695 -8.316 -3.926 504 HD12 LEU 64 2HD1 LEU 64 -1.354 -6.714 -4.269 505 HD13 LEU 64 3HD1 LEU 64 -1.945 -7.634 -2.886 506 HD21 LEU 64 3HD2 LEU 64 1.061 -7.182 -0.791 507 HD22 LEU 64 1HD2 LEU 64 0.774 -8.601 -1.800 508 HD23 LEU 64 2HD2 LEU 64 -0.549 -7.900 -0.865 509 H VAL 65 H VAL 65 2.510 -3.920 -2.829 510 HA VAL 65 HA VAL 65 0.665 -2.507 -1.313 511 HB VAL 65 HB VAL 65 3.455 -1.611 -2.096 512 HG11 VAL 65 1HG1 VAL 65 1.750 -0.775 0.254 513 HG12 VAL 65 2HG1 VAL 65 2.130 0.222 -1.149 514 HG13 VAL 65 3HG1 VAL 65 3.414 -0.277 -0.048 515 HG21 VAL 65 3HG2 VAL 65 2.495 -3.252 0.254 516 HG22 VAL 65 1HG2 VAL 65 4.134 -2.632 0.048 517 HG23 VAL 65 2HG2 VAL 65 3.490 -3.817 -1.088 518 H ARG 66 H ARG 66 2.156 -1.578 -4.404 519 HA ARG 66 HA ARG 66 1.101 1.025 -4.550 520 HB2 ARG 66 2HB ARG 66 2.072 -0.907 -6.642 521 HB3 ARG 66 3HB ARG 66 1.393 0.651 -7.100 522 HG2 ARG 66 2HG ARG 66 3.084 1.771 -5.681 523 HG3 ARG 66 3HG ARG 66 3.795 0.197 -5.329 524 HD2 ARG 66 2HD ARG 66 3.445 1.113 -8.166 525 HD3 ARG 66 3HD ARG 66 4.813 1.675 -7.208 526 HE ARG 66 HE ARG 66 5.293 -0.792 -6.896 527 HH11 ARG 66 1HH1 ARG 66 3.654 0.385 -9.682 528 HH12 ARG 66 2HH1 ARG 66 4.357 -0.795 -10.730 529 HH21 ARG 66 1HH2 ARG 66 6.222 -2.283 -8.260 530 HH22 ARG 66 2HH2 ARG 66 5.787 -2.292 -9.931 531 H ASP 67 H ASP 67 -0.343 -2.077 -5.498 532 HA ASP 67 HA ASP 67 -2.657 -0.870 -6.696 533 HB2 ASP 67 2HB ASP 67 -1.903 -3.171 -7.255 534 HB3 ASP 67 3HB ASP 67 -2.349 -3.692 -5.634 535 H ILE 68 H ILE 68 -1.933 -2.204 -3.482 536 HA ILE 68 HA ILE 68 -4.460 -1.927 -2.310 537 HB ILE 68 HB ILE 68 -1.748 -1.583 -1.002 538 HG12 ILE 68 2HG1 ILE 68 -3.551 -4.015 -1.232 539 HG13 ILE 68 3HG1 ILE 68 -2.041 -3.773 -2.101 540 HG21 ILE 68 1HG2 ILE 68 -3.486 -0.621 0.398 541 HG22 ILE 68 2HG2 ILE 68 -2.910 -2.129 1.109 542 HG23 ILE 68 3HG2 ILE 68 -4.453 -2.089 0.253 543 HD11 ILE 68 3HD1 ILE 68 -0.832 -3.774 0.033 544 HD12 ILE 68 1HD1 ILE 68 -1.716 -5.275 -0.241 545 HD13 ILE 68 2HD1 ILE 68 -2.350 -4.071 0.879 546 H ARG 69 H ARG 69 -1.822 0.437 -2.617 547 HA ARG 69 HA ARG 69 -2.926 2.646 -1.345 548 HB2 ARG 69 2HB ARG 69 -0.647 2.591 -2.284 549 HB3 ARG 69 3HB ARG 69 -1.309 2.576 -3.913 550 HG2 ARG 69 2HG ARG 69 -2.326 4.812 -3.436 551 HG3 ARG 69 3HG ARG 69 -1.454 4.821 -1.900 552 HD2 ARG 69 2HD ARG 69 0.673 4.624 -3.128 553 HD3 ARG 69 3HD ARG 69 -0.217 4.650 -4.654 554 HE ARG 69 HE ARG 69 -0.340 6.908 -2.761 555 HH11 ARG 69 1HH1 ARG 69 0.321 5.693 -5.926 556 HH12 ARG 69 2HH1 ARG 69 0.460 7.274 -6.610 557 HH21 ARG 69 1HH2 ARG 69 -0.158 8.925 -3.677 558 HH22 ARG 69 2HH2 ARG 69 0.182 9.062 -5.371 559 H ARG 70 H ARG 70 -3.297 1.672 -4.751 560 HA ARG 70 HA ARG 70 -5.121 3.621 -5.581 561 HB2 ARG 70 2HB ARG 70 -3.992 2.211 -7.175 562 HB3 ARG 70 3HB ARG 70 -4.713 0.764 -6.486 563 HG2 ARG 70 2HG ARG 70 -6.947 1.596 -7.224 564 HG3 ARG 70 3HG ARG 70 -6.124 2.931 -8.036 565 HD2 ARG 70 2HD ARG 70 -5.670 -0.008 -8.588 566 HD3 ARG 70 3HD ARG 70 -6.639 1.084 -9.579 567 HE ARG 70 HE ARG 70 -4.456 2.375 -9.819 568 HH11 ARG 70 1HH1 ARG 70 -4.550 -1.053 -9.391 569 HH12 ARG 70 2HH1 ARG 70 -3.109 -1.306 -10.310 570 HH21 ARG 70 1HH2 ARG 70 -2.611 2.045 -10.940 571 HH22 ARG 70 2HH2 ARG 70 -2.007 0.440 -11.176 572 H ARG 71 H ARG 71 -5.730 0.420 -4.152 573 HA ARG 71 HA ARG 71 -8.460 0.208 -4.508 574 HB2 ARG 71 2HB ARG 71 -6.782 -0.736 -2.170 575 HB3 ARG 71 3HB ARG 71 -8.437 -1.253 -2.473 576 HG2 ARG 71 2HG ARG 71 -6.102 -1.695 -4.335 577 HG3 ARG 71 3HG ARG 71 -6.791 -2.899 -3.245 578 HD2 ARG 71 2HD ARG 71 -8.204 -1.550 -5.550 579 HD3 ARG 71 3HD ARG 71 -7.631 -3.218 -5.507 580 HE ARG 71 HE ARG 71 -9.263 -3.532 -3.635 581 HH11 ARG 71 1HH1 ARG 71 -9.754 -1.053 -5.968 582 HH12 ARG 71 2HH1 ARG 71 -11.467 -1.038 -5.755 583 HH21 ARG 71 1HH2 ARG 71 -11.465 -3.526 -3.391 584 HH22 ARG 71 2HH2 ARG 71 -12.427 -2.421 -4.314 585 H GLY 72 H GLY 72 -6.880 1.512 -1.565 586 HA2 GLY 72 2HA GLY 72 -9.376 2.337 -0.418 587 HA3 GLY 72 3HA GLY 72 -7.776 2.716 0.190 588 H LYS 73 H LYS 73 -6.857 4.021 -2.247 589 HA LYS 73 HA LYS 73 -7.767 6.644 -1.568 590 HB2 LYS 73 2HB LYS 73 -5.440 6.106 -2.259 591 HB3 LYS 73 3HB LYS 73 -6.019 5.802 -3.889 592 HG2 LYS 73 2HG LYS 73 -6.626 8.092 -4.190 593 HG3 LYS 73 3HG LYS 73 -6.339 8.451 -2.486 594 HD2 LYS 73 2HD LYS 73 -4.236 7.591 -4.483 595 HD3 LYS 73 3HD LYS 73 -4.495 9.240 -3.909 596 HE2 LYS 73 2HE LYS 73 -3.743 6.888 -2.165 597 HE3 LYS 73 3HE LYS 73 -2.623 8.112 -2.755 598 HZ1 LYS 73 3HZ LYS 73 -3.428 8.480 -0.451 599 HZ2 LYS 73 1HZ LYS 73 -4.984 8.731 -1.065 600 HZ3 LYS 73 2HZ LYS 73 -3.725 9.777 -1.492 601 H ASN 74 H ASN 74 -8.236 4.585 -4.435 602 HA ASN 74 HA ASN 74 -9.653 6.392 -6.030 603 HB2 ASN 74 2HB ASN 74 -8.815 4.237 -6.862 604 HB3 ASN 74 3HB ASN 74 -9.970 3.381 -5.848 605 HD21 ASN 74 1HD2 ASN 74 -12.081 3.231 -6.494 606 HD22 ASN 74 2HD2 ASN 74 -12.632 3.746 -8.046 607 H LYS 75 H LYS 75 -10.725 4.390 -3.364 608 HA LYS 75 HA LYS 75 -13.479 4.494 -3.533 609 HB2 LYS 75 2HB LYS 75 -12.219 3.241 -1.832 610 HB3 LYS 75 3HB LYS 75 -11.745 4.745 -1.062 611 HG2 LYS 75 2HG LYS 75 -14.164 5.196 -0.619 612 HG3 LYS 75 3HG LYS 75 -14.514 3.574 -1.226 613 HD2 LYS 75 2HD LYS 75 -12.797 4.292 1.158 614 HD3 LYS 75 3HD LYS 75 -14.377 3.506 1.188 615 HE2 LYS 75 2HE LYS 75 -13.453 1.556 0.050 616 HE3 LYS 75 3HE LYS 75 -11.881 2.346 -0.069 617 HZ1 LYS 75 3HZ LYS 75 -11.899 0.798 1.750 618 HZ2 LYS 75 1HZ LYS 75 -13.252 1.542 2.438 619 HZ3 LYS 75 2HZ LYS 75 -11.779 2.368 2.363 620 H VAL 76 H VAL 76 -11.371 6.872 -1.892 621 HA VAL 76 HA VAL 76 -13.579 8.693 -1.463 622 HB VAL 76 HB VAL 76 -11.746 8.441 0.194 623 HG11 VAL 76 1HG1 VAL 76 -9.588 9.559 -0.208 624 HG12 VAL 76 2HG1 VAL 76 -10.061 9.839 -1.884 625 HG13 VAL 76 3HG1 VAL 76 -9.848 8.191 -1.291 626 HG21 VAL 76 3HG2 VAL 76 -11.499 10.826 0.701 627 HG22 VAL 76 1HG2 VAL 76 -13.148 10.433 0.218 628 HG23 VAL 76 2HG2 VAL 76 -12.063 11.227 -0.923 629 H ALA 77 H ALA 77 -10.997 8.307 -3.800 630 HA ALA 77 HA ALA 77 -11.006 10.901 -4.916 631 HB1 ALA 77 3HB ALA 77 -9.949 9.883 -6.868 632 HB2 ALA 77 1HB ALA 77 -10.407 8.280 -6.293 633 HB3 ALA 77 2HB ALA 77 -9.252 9.247 -5.377 634 H ALA 78 H ALA 78 -13.118 8.135 -5.422 635 HA ALA 78 HA ALA 78 -14.439 9.011 -7.750 636 HB1 ALA 78 3HB ALA 78 -14.596 6.719 -6.917 637 HB2 ALA 78 1HB ALA 78 -16.199 7.427 -7.132 638 HB3 ALA 78 2HB ALA 78 -15.508 7.280 -5.516 639 H GLN 79 H GLN 79 -15.295 9.477 -4.312 640 HA GLN 79 HA GLN 79 -17.648 11.006 -4.887 641 HB2 GLN 79 2HB GLN 79 -17.752 11.422 -2.480 642 HB3 GLN 79 3HB GLN 79 -17.441 9.723 -2.810 643 HG2 GLN 79 2HG GLN 79 -15.082 10.042 -2.301 644 HG3 GLN 79 3HG GLN 79 -15.365 11.758 -2.009 645 HE21 GLN 79 1HE2 GLN 79 -16.511 12.375 -0.156 646 HE22 GLN 79 2HE2 GLN 79 -16.682 11.312 1.194 647 H ASN 80 H ASN 80 -14.288 11.823 -4.310 648 HA ASN 80 HA ASN 80 -14.860 14.684 -4.163 649 HB2 ASN 80 2HB ASN 80 -12.230 13.180 -4.130 650 HB3 ASN 80 3HB ASN 80 -12.392 14.923 -3.938 651 HD21 ASN 80 1HD2 ASN 80 -11.218 13.147 -2.067 652 HD22 ASN 80 2HD2 ASN 80 -12.165 13.220 -0.626 653 H TYR 81 H TYR 81 -15.400 13.077 -6.652 654 HA TYR 81 HA TYR 81 -13.401 13.714 -8.575 655 HB2 TYR 81 2HB TYR 81 -14.952 11.825 -8.862 656 HB3 TYR 81 3HB TYR 81 -16.295 12.949 -9.024 657 HD1 TYR 81 HD1 TYR 81 -12.918 12.381 -10.544 658 HD2 TYR 81 HD2 TYR 81 -17.003 13.406 -11.190 659 HE1 TYR 81 HE1 TYR 81 -12.494 12.515 -12.962 660 HE2 TYR 81 HE2 TYR 81 -16.589 13.541 -13.610 661 HH TYR 81 HH TYR 81 -13.743 12.367 -15.067 662 H ARG 82 H ARG 82 -13.079 15.452 -9.776 663 HA ARG 82 HA ARG 82 -14.221 17.941 -9.336 664 HB2 ARG 82 2HB ARG 82 -13.077 18.637 -11.410 665 HB3 ARG 82 3HB ARG 82 -12.044 17.641 -10.397 666 HG2 ARG 82 2HG ARG 82 -11.605 16.675 -12.413 667 HG3 ARG 82 3HG ARG 82 -13.001 15.704 -11.946 668 HD2 ARG 82 2HD ARG 82 -14.376 17.520 -13.198 669 HD3 ARG 82 3HD ARG 82 -12.833 17.939 -13.940 670 HE ARG 82 HE ARG 82 -13.782 15.175 -14.075 671 HH11 ARG 82 1HH1 ARG 82 -12.925 18.094 -15.673 672 HH12 ARG 82 2HH1 ARG 82 -13.117 17.410 -17.246 673 HH21 ARG 82 1HH2 ARG 82 -14.034 14.312 -16.079 674 HH22 ARG 82 2HH2 ARG 82 -13.766 15.293 -17.480 675 H LYS 83 H LYS 83 -15.551 19.295 -10.740 676 HA LYS 83 HA LYS 83 -17.943 17.985 -11.508 677 HB2 LYS 83 2HB LYS 83 -17.923 20.281 -10.639 678 HB3 LYS 83 3HB LYS 83 -17.064 20.822 -12.074 679 HG2 LYS 83 2HG LYS 83 -19.458 21.355 -12.166 680 HG3 LYS 83 3HG LYS 83 -18.962 20.280 -13.472 681 HD2 LYS 83 2HD LYS 83 -21.050 19.473 -12.644 682 HD3 LYS 83 3HD LYS 83 -19.808 18.351 -12.096 683 HE2 LYS 83 2HE LYS 83 -20.980 20.571 -10.417 684 HE3 LYS 83 3HE LYS 83 -21.515 18.894 -10.371 685 HZ1 LYS 83 3HZ LYS 83 -19.183 18.310 -9.732 686 HZ2 LYS 83 1HZ LYS 83 -20.023 19.224 -8.586 687 HZ3 LYS 83 2HZ LYS 83 -18.869 19.965 -9.565 688 H ARG 84 H ARG 84 -18.115 16.746 -13.236 689 HA ARG 84 HA ARG 84 -16.614 17.110 -15.653 690 HB2 ARG 84 2HB ARG 84 -17.965 15.231 -16.500 691 HB3 ARG 84 3HB ARG 84 -17.292 14.876 -14.914 692 HG2 ARG 84 2HG ARG 84 -19.458 15.420 -13.879 693 HG3 ARG 84 3HG ARG 84 -20.126 15.750 -15.477 694 HD2 ARG 84 2HD ARG 84 -19.656 13.411 -16.121 695 HD3 ARG 84 3HD ARG 84 -19.068 13.100 -14.486 696 HE ARG 84 HE ARG 84 -21.715 14.175 -14.524 697 HH11 ARG 84 1HH1 ARG 84 -19.899 11.269 -14.829 698 HH12 ARG 84 2HH1 ARG 84 -21.221 10.266 -14.346 699 HH21 ARG 84 1HH2 ARG 84 -23.398 12.895 -13.914 700 HH22 ARG 84 2HH2 ARG 84 -23.206 11.177 -13.870 701 H LYS 85 H LYS 85 -17.153 18.319 -17.397 702 HA LYS 85 HA LYS 85 -19.884 19.431 -17.535 703 HB2 LYS 85 2HB LYS 85 -17.305 20.467 -18.748 704 HB3 LYS 85 3HB LYS 85 -18.886 21.212 -18.957 705 HG2 LYS 85 2HG LYS 85 -19.016 21.593 -16.528 706 HG3 LYS 85 3HG LYS 85 -17.421 20.868 -16.338 707 HD2 LYS 85 2HD LYS 85 -17.102 23.223 -16.308 708 HD3 LYS 85 3HD LYS 85 -16.537 22.662 -17.881 709 HE2 LYS 85 2HE LYS 85 -19.298 23.798 -17.416 710 HE3 LYS 85 3HE LYS 85 -17.918 24.784 -17.888 711 HZ1 LYS 85 3HZ LYS 85 -17.703 23.361 -19.877 712 HZ2 LYS 85 1HZ LYS 85 -19.164 24.210 -19.823 713 HZ3 LYS 85 2HZ LYS 85 -19.133 22.566 -19.444 714 H LEU 86 H LEU 86 -21.197 18.641 -19.031 715 HA LEU 86 HA LEU 86 -20.232 16.655 -20.865 716 HB2 LEU 86 2HB LEU 86 -22.985 17.768 -20.340 717 HB3 LEU 86 3HB LEU 86 -22.671 16.535 -21.545 718 HG LEU 86 HG LEU 86 -21.768 15.068 -19.702 719 HD11 LEU 86 1HD1 LEU 86 -22.357 15.608 -17.397 720 HD12 LEU 86 2HD1 LEU 86 -22.964 17.181 -17.911 721 HD13 LEU 86 3HD1 LEU 86 -21.248 16.805 -18.068 722 HD21 LEU 86 3HD2 LEU 86 -24.639 15.955 -19.405 723 HD22 LEU 86 1HD2 LEU 86 -23.960 14.411 -18.890 724 HD23 LEU 86 2HD2 LEU 86 -24.036 14.811 -20.606 725 H GLU 87 H GLU 87 -20.032 19.863 -21.189 726 HA GLU 87 HA GLU 87 -21.060 20.352 -23.788 727 HB2 GLU 87 2HB GLU 87 -18.899 21.715 -22.174 728 HB3 GLU 87 3HB GLU 87 -19.369 22.270 -23.773 729 HG2 GLU 87 2HG GLU 87 -20.444 23.561 -22.001 730 HG3 GLU 87 3HG GLU 87 -21.620 22.709 -23.000 731 H THR 88 H THR 88 -20.492 18.708 -25.164 732 HA THR 88 HA THR 88 -17.723 17.953 -25.586 733 HB THR 88 HB THR 88 -19.510 16.261 -25.793 734 HG1 THR 88 HG1 THR 88 -18.863 15.890 -28.288 735 HG21 THR 88 3HG2 THR 88 -21.011 16.269 -27.740 736 HG22 THR 88 1HG2 THR 88 -20.392 17.852 -28.212 737 HG23 THR 88 2HG2 THR 88 -21.292 17.669 -26.704 738 H ILE 89 H ILE 89 -16.787 17.979 -27.830 739 HA ILE 89 HA ILE 89 -16.729 20.574 -28.917 740 HB ILE 89 HB ILE 89 -15.873 17.965 -30.201 741 HG12 ILE 89 2HG1 ILE 89 -14.707 18.454 -28.082 742 HG13 ILE 89 3HG1 ILE 89 -13.611 18.606 -29.454 743 HG21 ILE 89 1HG2 ILE 89 -16.194 19.690 -31.892 744 HG22 ILE 89 2HG2 ILE 89 -14.478 19.350 -31.680 745 HG23 ILE 89 3HG2 ILE 89 -15.183 20.805 -30.975 746 HD11 ILE 89 3HD1 ILE 89 -14.950 20.891 -28.010 747 HD12 ILE 89 1HD1 ILE 89 -13.823 21.032 -29.361 748 HD13 ILE 89 2HD1 ILE 89 -13.272 20.378 -27.820 749 H VAL 90 H VAL 90 -18.336 21.564 -29.951 750 HA VAL 90 HA VAL 90 -20.694 20.427 -30.832 751 HB VAL 90 HB VAL 90 -21.107 22.523 -32.094 752 HG11 VAL 90 1HG1 VAL 90 -19.906 22.890 -29.343 753 HG12 VAL 90 2HG1 VAL 90 -21.575 22.454 -29.708 754 HG13 VAL 90 3HG1 VAL 90 -20.964 24.046 -30.154 755 HG21 VAL 90 3HG2 VAL 90 -19.422 24.317 -32.062 756 HG22 VAL 90 1HG2 VAL 90 -18.855 22.912 -32.967 757 HG23 VAL 90 2HG2 VAL 90 -18.258 23.208 -31.335 758 H GLN 91 H GLN 91 -21.493 19.604 -32.695 759 HA GLN 91 HA GLN 91 -19.611 18.499 -34.549 760 HB2 GLN 91 2HB GLN 91 -21.785 17.428 -33.708 761 HB3 GLN 91 3HB GLN 91 -22.616 18.461 -34.865 762 HG2 GLN 91 2HG GLN 91 -22.283 16.267 -35.811 763 HG3 GLN 91 3HG GLN 91 -21.300 17.444 -36.685 764 HE21 GLN 91 1HE2 GLN 91 -19.861 15.889 -37.414 765 HE22 GLN 91 2HE2 GLN 91 -18.725 15.108 -36.374 Start of MODEL 6 1 H1 MET 1 1H MET 1 44.283 -32.887 14.341 2 H2 MET 1 2H MET 1 45.614 -31.853 14.243 3 H3 MET 1 3H MET 1 44.354 -31.718 13.121 4 HA MET 1 HA MET 1 44.173 -31.182 16.031 5 HB2 MET 1 2HB MET 1 44.099 -29.303 13.655 6 HB3 MET 1 3HB MET 1 43.799 -28.832 15.323 7 HG2 MET 1 2HG MET 1 46.057 -28.252 14.635 8 HG3 MET 1 3HG MET 1 46.075 -29.452 15.928 9 HE1 MET 1 3HE MET 1 48.646 -29.973 15.394 10 HE2 MET 1 1HE MET 1 48.600 -28.757 14.116 11 HE3 MET 1 2HE MET 1 49.237 -30.365 13.778 12 H GLY 2 H GLY 2 42.089 -29.901 16.496 13 HA2 GLY 2 2HA GLY 2 39.848 -30.670 14.743 14 HA3 GLY 2 3HA GLY 2 39.826 -31.238 16.403 15 H HIS 3 H HIS 3 39.778 -28.352 14.372 16 HA HIS 3 HA HIS 3 39.208 -26.550 16.519 17 HB2 HIS 3 2HB HIS 3 38.809 -24.885 14.747 18 HB3 HIS 3 3HB HIS 3 40.324 -25.748 14.508 19 HD1 HIS 3 HD1 HIS 3 37.533 -24.585 12.642 20 HD2 HIS 3 HD2 HIS 3 39.824 -28.053 12.552 21 HE1 HIS 3 HE1 HIS 3 37.149 -25.586 10.378 22 HE2 HIS 3 HE2 HIS 3 38.446 -27.738 10.388 23 H HIS 4 H HIS 4 37.366 -26.991 17.654 24 HA HIS 4 HA HIS 4 34.852 -27.535 16.354 25 HB2 HIS 4 2HB HIS 4 35.515 -26.879 19.236 26 HB3 HIS 4 3HB HIS 4 33.890 -27.248 18.666 27 HD1 HIS 4 HD1 HIS 4 36.707 -28.844 20.165 28 HD2 HIS 4 HD2 HIS 4 33.882 -29.955 17.323 29 HE1 HIS 4 HE1 HIS 4 36.771 -31.348 20.096 30 HE2 HIS 4 HE2 HIS 4 34.961 -32.005 18.483 31 H HIS 5 H HIS 5 33.954 -25.980 15.165 32 HA HIS 5 HA HIS 5 33.943 -23.194 16.177 33 HB2 HIS 5 2HB HIS 5 35.435 -23.587 14.213 34 HB3 HIS 5 3HB HIS 5 34.041 -24.127 13.290 35 HD1 HIS 5 HD1 HIS 5 32.916 -22.369 11.945 36 HD2 HIS 5 HD2 HIS 5 35.172 -20.754 15.041 37 HE1 HIS 5 HE1 HIS 5 32.846 -19.883 11.604 38 HE2 HIS 5 HE2 HIS 5 34.083 -18.928 13.573 39 H HIS 6 H HIS 6 31.900 -22.749 16.872 40 HA HIS 6 HA HIS 6 29.641 -23.481 15.119 41 HB2 HIS 6 2HB HIS 6 28.331 -24.360 16.913 42 HB3 HIS 6 3HB HIS 6 29.899 -25.153 17.004 43 HD1 HIS 6 HD1 HIS 6 31.502 -24.349 18.974 44 HD2 HIS 6 HD2 HIS 6 27.604 -22.913 19.157 45 HE1 HIS 6 HE1 HIS 6 31.215 -23.467 21.302 46 HE2 HIS 6 HE2 HIS 6 28.873 -22.566 21.384 47 H HIS 7 H HIS 7 27.809 -22.128 15.236 48 HA HIS 7 HA HIS 7 27.491 -20.207 17.344 49 HB2 HIS 7 2HB HIS 7 27.443 -18.180 15.931 50 HB3 HIS 7 3HB HIS 7 29.042 -18.902 15.993 51 HD1 HIS 7 HD1 HIS 7 30.156 -18.828 13.811 52 HD2 HIS 7 HD2 HIS 7 26.041 -19.183 13.383 53 HE1 HIS 7 HE1 HIS 7 29.734 -18.818 11.339 54 HE2 HIS 7 HE2 HIS 7 27.268 -19.241 11.108 55 H HIS 8 H HIS 8 25.377 -19.713 17.660 56 HA HIS 8 HA HIS 8 23.463 -20.287 15.481 57 HB2 HIS 8 2HB HIS 8 23.255 -21.112 18.378 58 HB3 HIS 8 3HB HIS 8 21.856 -21.052 17.311 59 HD1 HIS 8 HD1 HIS 8 21.808 -22.779 15.330 60 HD2 HIS 8 HD2 HIS 8 24.906 -23.332 18.046 61 HE1 HIS 8 HE1 HIS 8 22.669 -25.094 14.905 62 HE2 HIS 8 HE2 HIS 8 24.420 -25.463 16.666 63 H SER 9 H SER 9 22.891 -18.273 14.895 64 HA SER 9 HA SER 9 22.334 -16.196 16.845 65 HB2 SER 9 2HB SER 9 21.966 -16.222 13.832 66 HB3 SER 9 3HB SER 9 21.802 -14.805 14.868 67 HG SER 9 HG SER 9 23.893 -15.079 13.808 68 H HIS 10 H HIS 10 20.241 -15.047 16.878 69 HA HIS 10 HA HIS 10 17.968 -16.846 16.274 70 HB2 HIS 10 2HB HIS 10 18.328 -15.118 18.735 71 HB3 HIS 10 3HB HIS 10 16.873 -16.032 18.349 72 HD1 HIS 10 HD1 HIS 10 17.000 -18.624 18.613 73 HD2 HIS 10 HD2 HIS 10 20.455 -16.620 19.749 74 HE1 HIS 10 HE1 HIS 10 18.387 -20.317 19.831 75 HE2 HIS 10 HE2 HIS 10 20.525 -19.123 20.386 76 H MET 11 H MET 11 17.028 -15.925 14.567 77 HA MET 11 HA MET 11 16.179 -13.107 14.748 78 HB2 MET 11 2HB MET 11 18.169 -13.185 13.319 79 HB3 MET 11 3HB MET 11 17.438 -14.445 12.333 80 HG2 MET 11 2HG MET 11 15.738 -12.897 11.567 81 HG3 MET 11 3HG MET 11 16.381 -11.635 12.618 82 HE1 MET 11 3HE MET 11 17.283 -10.454 8.952 83 HE2 MET 11 1HE MET 11 16.400 -10.057 10.426 84 HE3 MET 11 2HE MET 11 15.862 -11.393 9.408 85 H ALA 12 H ALA 12 14.322 -12.593 13.365 86 HA ALA 12 HA ALA 12 12.271 -12.932 12.450 87 HB1 ALA 12 3HB ALA 12 13.235 -15.723 11.816 88 HB2 ALA 12 1HB ALA 12 13.410 -14.310 10.775 89 HB3 ALA 12 2HB ALA 12 11.804 -14.939 11.148 90 H LYS 13 H LYS 13 11.364 -12.654 14.510 91 HA LYS 13 HA LYS 13 10.528 -15.093 15.938 92 HB2 LYS 13 2HB LYS 13 10.559 -12.208 16.864 93 HB3 LYS 13 3HB LYS 13 10.074 -13.587 17.842 94 HG2 LYS 13 2HG LYS 13 12.329 -14.500 17.715 95 HG3 LYS 13 3HG LYS 13 12.824 -13.162 16.675 96 HD2 LYS 13 2HD LYS 13 11.816 -12.874 19.514 97 HD3 LYS 13 3HD LYS 13 13.516 -12.866 19.042 98 HE2 LYS 13 2HE LYS 13 13.106 -10.874 17.650 99 HE3 LYS 13 3HE LYS 13 11.416 -10.880 18.153 100 HZ1 LYS 13 3HZ LYS 13 12.790 -9.307 19.421 101 HZ2 LYS 13 1HZ LYS 13 13.722 -10.594 19.998 102 HZ3 LYS 13 2HZ LYS 13 12.085 -10.481 20.413 103 HA PRO 14 HA PRO 14 6.348 -14.656 14.482 104 HB2 PRO 14 2HB PRO 14 5.004 -15.686 16.667 105 HB3 PRO 14 3HB PRO 14 5.783 -16.664 15.418 106 HG2 PRO 14 2HG PRO 14 6.810 -15.877 18.123 107 HG3 PRO 14 3HG PRO 14 6.913 -17.444 17.295 108 HD2 PRO 14 2HD PRO 14 9.012 -15.769 17.378 109 HD3 PRO 14 3HD PRO 14 8.674 -16.753 15.938 110 H THR 15 H THR 15 5.790 -12.534 14.346 111 HA THR 15 HA THR 15 5.340 -10.989 16.809 112 HB THR 15 HB THR 15 5.552 -9.988 13.952 113 HG1 THR 15 HG1 THR 15 7.490 -10.945 15.176 114 HG21 THR 15 3HG2 THR 15 5.591 -8.480 16.581 115 HG22 THR 15 1HG2 THR 15 4.262 -8.487 15.420 116 HG23 THR 15 2HG2 THR 15 5.814 -7.774 14.979 117 H ALA 16 H ALA 16 3.299 -11.097 17.530 118 HA ALA 16 HA ALA 16 1.061 -11.686 15.844 119 HB1 ALA 16 3HB ALA 16 1.164 -12.424 18.186 120 HB2 ALA 16 1HB ALA 16 -0.286 -11.473 17.859 121 HB3 ALA 16 2HB ALA 16 1.073 -10.744 18.714 122 H ARG 17 H ARG 17 -0.087 -10.310 14.650 123 HA ARG 17 HA ARG 17 0.144 -7.416 15.123 124 HB2 ARG 17 2HB ARG 17 0.736 -8.218 12.880 125 HB3 ARG 17 3HB ARG 17 -0.854 -8.950 12.705 126 HG2 ARG 17 2HG ARG 17 -1.847 -6.667 12.918 127 HG3 ARG 17 3HG ARG 17 -0.212 -6.008 12.885 128 HD2 ARG 17 2HD ARG 17 0.146 -6.899 10.663 129 HD3 ARG 17 3HD ARG 17 -1.420 -7.715 10.704 130 HE ARG 17 HE ARG 17 -1.454 -4.829 11.035 131 HH11 ARG 17 1HH1 ARG 17 -1.809 -7.477 8.863 132 HH12 ARG 17 2HH1 ARG 17 -2.741 -6.555 7.733 133 HH21 ARG 17 1HH2 ARG 17 -2.669 -3.684 9.580 134 HH22 ARG 17 2HH2 ARG 17 -3.218 -4.456 8.132 135 H GLY 18 H GLY 18 -1.788 -6.053 14.879 136 HA2 GLY 18 2HA GLY 18 -3.998 -6.863 16.404 137 HA3 GLY 18 3HA GLY 18 -3.948 -5.452 15.361 138 H GLU 19 H GLU 19 -6.288 -6.812 15.674 139 HA GLU 19 HA GLU 19 -6.632 -8.827 13.622 140 HB2 GLU 19 2HB GLU 19 -8.654 -7.474 15.423 141 HB3 GLU 19 3HB GLU 19 -8.954 -8.895 14.430 142 HG2 GLU 19 2HG GLU 19 -7.681 -10.280 15.779 143 HG3 GLU 19 3HG GLU 19 -6.761 -8.943 16.469 144 H ALA 20 H ALA 20 -6.918 -8.299 11.537 145 HA ALA 20 HA ALA 20 -8.748 -6.099 10.857 146 HB1 ALA 20 3HB ALA 20 -6.480 -5.194 10.672 147 HB2 ALA 20 1HB ALA 20 -7.252 -5.309 9.091 148 HB3 ALA 20 2HB ALA 20 -6.041 -6.499 9.571 149 H GLY 21 H GLY 21 -10.379 -7.129 9.854 150 HA2 GLY 21 2HA GLY 21 -9.788 -9.467 8.148 151 HA3 GLY 21 3HA GLY 21 -11.346 -9.079 8.856 152 H SER 22 H SER 22 -9.330 -6.761 7.150 153 HA SER 22 HA SER 22 -11.511 -6.164 5.338 154 HB2 SER 22 2HB SER 22 -8.746 -4.950 5.595 155 HB3 SER 22 3HB SER 22 -9.999 -4.358 4.506 156 HG SER 22 HG SER 22 -10.700 -3.256 6.134 157 H ARG 23 H ARG 23 -11.520 -6.356 3.119 158 HA ARG 23 HA ARG 23 -10.496 -8.549 1.848 159 HB2 ARG 23 2HB ARG 23 -11.171 -5.842 0.672 160 HB3 ARG 23 3HB ARG 23 -10.896 -7.288 -0.293 161 HG2 ARG 23 2HG ARG 23 -12.828 -8.348 0.533 162 HG3 ARG 23 3HG ARG 23 -12.986 -7.205 1.866 163 HD2 ARG 23 2HD ARG 23 -14.642 -6.840 0.057 164 HD3 ARG 23 3HD ARG 23 -13.615 -5.439 0.354 165 HE ARG 23 HE ARG 23 -12.293 -6.369 -1.640 166 HH11 ARG 23 1HH1 ARG 23 -15.707 -6.598 -1.286 167 HH12 ARG 23 2HH1 ARG 23 -15.994 -6.572 -2.990 168 HH21 ARG 23 1HH2 ARG 23 -12.666 -6.333 -3.824 169 HH22 ARG 23 2HH2 ARG 23 -14.289 -6.429 -4.416 170 H ASP 24 H ASP 24 -9.071 -5.277 1.647 171 HA ASP 24 HA ASP 24 -6.821 -5.938 0.125 172 HB2 ASP 24 2HB ASP 24 -7.055 -3.767 2.226 173 HB3 ASP 24 3HB ASP 24 -5.903 -3.807 0.890 174 H GLU 25 H GLU 25 -7.246 -5.891 3.656 175 HA GLU 25 HA GLU 25 -4.609 -6.385 4.428 176 HB2 GLU 25 2HB GLU 25 -7.225 -7.110 5.750 177 HB3 GLU 25 3HB GLU 25 -5.667 -7.372 6.521 178 HG2 GLU 25 2HG GLU 25 -6.690 -4.694 5.590 179 HG3 GLU 25 3HG GLU 25 -6.807 -5.296 7.242 180 H ARG 26 H ARG 26 -7.121 -8.662 3.428 181 HA ARG 26 HA ARG 26 -5.844 -11.052 4.164 182 HB2 ARG 26 2HB ARG 26 -7.643 -10.624 1.768 183 HB3 ARG 26 3HB ARG 26 -7.295 -12.163 2.546 184 HG2 ARG 26 2HG ARG 26 -8.364 -11.279 4.621 185 HG3 ARG 26 3HG ARG 26 -8.831 -9.844 3.707 186 HD2 ARG 26 2HD ARG 26 -9.697 -12.695 3.216 187 HD3 ARG 26 3HD ARG 26 -10.701 -11.348 3.749 188 HE ARG 26 HE ARG 26 -9.415 -11.302 1.104 189 HH11 ARG 26 1HH1 ARG 26 -12.251 -11.112 3.055 190 HH12 ARG 26 2HH1 ARG 26 -13.281 -10.818 1.697 191 HH21 ARG 26 1HH2 ARG 26 -10.741 -10.902 -0.604 192 HH22 ARG 26 2HH2 ARG 26 -12.440 -10.686 -0.344 193 H ARG 27 H ARG 27 -5.336 -8.930 1.439 194 HA ARG 27 HA ARG 27 -3.573 -10.716 0.008 195 HB2 ARG 27 2HB ARG 27 -3.942 -7.717 -0.251 196 HB3 ARG 27 3HB ARG 27 -3.100 -8.753 -1.398 197 HG2 ARG 27 2HG ARG 27 -6.030 -9.003 -0.714 198 HG3 ARG 27 3HG ARG 27 -5.397 -8.103 -2.092 199 HD2 ARG 27 2HD ARG 27 -4.918 -11.049 -1.618 200 HD3 ARG 27 3HD ARG 27 -6.193 -10.404 -2.649 201 HE ARG 27 HE ARG 27 -3.304 -10.064 -3.156 202 HH11 ARG 27 1HH1 ARG 27 -6.546 -10.405 -4.261 203 HH12 ARG 27 2HH1 ARG 27 -6.096 -10.355 -5.930 204 HH21 ARG 27 1HH2 ARG 27 -2.745 -10.011 -5.316 205 HH22 ARG 27 2HH2 ARG 27 -3.988 -10.126 -6.513 206 H ALA 28 H ALA 28 -3.225 -7.941 2.172 207 HA ALA 28 HA ALA 28 -0.472 -7.549 2.058 208 HB1 ALA 28 3HB ALA 28 -0.701 -6.432 4.211 209 HB2 ALA 28 1HB ALA 28 -2.279 -7.186 4.451 210 HB3 ALA 28 2HB ALA 28 -2.048 -6.015 3.151 211 H LEU 29 H LEU 29 -2.269 -9.499 4.470 212 HA LEU 29 HA LEU 29 0.048 -10.500 5.742 213 HB2 LEU 29 2HB LEU 29 -1.494 -12.143 6.794 214 HB3 LEU 29 3HB LEU 29 -2.007 -10.475 6.937 215 HG LEU 29 HG LEU 29 -3.495 -11.021 4.856 216 HD11 LEU 29 1HD1 LEU 29 -4.302 -13.341 4.821 217 HD12 LEU 29 2HD1 LEU 29 -3.038 -13.789 5.966 218 HD13 LEU 29 3HD1 LEU 29 -2.607 -13.216 4.354 219 HD21 LEU 29 3HD2 LEU 29 -4.131 -12.040 7.622 220 HD22 LEU 29 1HD2 LEU 29 -5.311 -11.734 6.347 221 HD23 LEU 29 2HD2 LEU 29 -4.375 -10.399 7.019 222 H ALA 30 H ALA 30 -1.560 -11.498 2.846 223 HA ALA 30 HA ALA 30 -0.561 -14.172 2.739 224 HB1 ALA 30 3HB ALA 30 -1.497 -12.390 0.482 225 HB2 ALA 30 1HB ALA 30 -2.523 -13.450 1.450 226 HB3 ALA 30 2HB ALA 30 -1.281 -14.139 0.404 227 H MET 31 H MET 31 0.490 -11.139 1.173 228 HA MET 31 HA MET 31 2.916 -12.383 0.155 229 HB2 MET 31 2HB MET 31 1.879 -9.543 -0.004 230 HB3 MET 31 3HB MET 31 3.381 -10.083 -0.740 231 HG2 MET 31 2HG MET 31 0.654 -11.190 -1.394 232 HG3 MET 31 3HG MET 31 1.503 -9.959 -2.330 233 HE1 MET 31 3HE MET 31 3.818 -10.420 -3.627 234 HE2 MET 31 1HE MET 31 4.656 -11.972 -3.579 235 HE3 MET 31 2HE MET 31 4.528 -10.997 -2.118 236 H LYS 32 H LYS 32 2.158 -11.530 3.135 237 HA LYS 32 HA LYS 32 3.257 -11.000 5.033 238 HB2 LYS 32 2HB LYS 32 5.747 -11.357 3.346 239 HB3 LYS 32 3HB LYS 32 5.725 -11.215 5.100 240 HG2 LYS 32 2HG LYS 32 4.334 -13.277 5.201 241 HG3 LYS 32 3HG LYS 32 4.512 -13.435 3.453 242 HD2 LYS 32 2HD LYS 32 6.125 -14.854 4.620 243 HD3 LYS 32 3HD LYS 32 6.952 -13.584 3.716 244 HE2 LYS 32 2HE LYS 32 7.202 -12.277 5.770 245 HE3 LYS 32 3HE LYS 32 6.349 -13.526 6.679 246 HZ1 LYS 32 3HZ LYS 32 8.753 -13.679 6.922 247 HZ2 LYS 32 1HZ LYS 32 8.933 -13.905 5.257 248 HZ3 LYS 32 2HZ LYS 32 8.129 -15.066 6.195 249 H ILE 33 H ILE 33 2.211 -8.851 4.568 250 HA ILE 33 HA ILE 33 4.229 -6.725 4.226 251 HB ILE 33 HB ILE 33 1.211 -6.519 4.094 252 HG12 ILE 33 2HG1 ILE 33 2.098 -7.723 2.159 253 HG13 ILE 33 3HG1 ILE 33 1.560 -6.120 1.673 254 HG21 ILE 33 1HG2 ILE 33 2.196 -4.457 4.907 255 HG22 ILE 33 2HG2 ILE 33 1.611 -4.240 3.258 256 HG23 ILE 33 3HG2 ILE 33 3.337 -4.442 3.561 257 HD11 ILE 33 3HD1 ILE 33 3.874 -5.346 1.650 258 HD12 ILE 33 1HD1 ILE 33 3.647 -6.740 0.592 259 HD13 ILE 33 2HD1 ILE 33 4.414 -6.944 2.166 260 HA PRO 34 HA PRO 34 3.862 -6.455 8.707 261 HB2 PRO 34 2HB PRO 34 5.792 -4.591 9.103 262 HB3 PRO 34 3HB PRO 34 6.159 -6.273 8.700 263 HG2 PRO 34 2HG PRO 34 6.077 -3.872 6.900 264 HG3 PRO 34 3HG PRO 34 7.287 -5.167 6.978 265 HD2 PRO 34 2HD PRO 34 5.320 -5.115 5.108 266 HD3 PRO 34 3HD PRO 34 5.989 -6.628 5.751 267 H PHE 35 H PHE 35 3.468 -3.722 6.538 268 HA PHE 35 HA PHE 35 2.317 -2.121 8.717 269 HB2 PHE 35 2HB PHE 35 2.442 -0.239 6.962 270 HB3 PHE 35 3HB PHE 35 3.945 -0.812 7.670 271 HD1 PHE 35 HD2 PHE 35 1.838 -0.880 4.634 272 HD2 PHE 35 HD1 PHE 35 5.624 -1.843 6.339 273 HE1 PHE 35 HE2 PHE 35 2.749 -1.283 2.385 274 HE2 PHE 35 HE1 PHE 35 6.534 -2.246 4.091 275 HZ PHE 35 HZ PHE 35 5.094 -1.967 2.109 276 HA PRO 36 HA PRO 36 -1.788 -2.949 7.435 277 HB2 PRO 36 2HB PRO 36 -3.050 -0.670 8.279 278 HB3 PRO 36 3HB PRO 36 -2.507 -1.953 9.366 279 HG2 PRO 36 2HG PRO 36 -1.156 0.636 8.677 280 HG3 PRO 36 3HG PRO 36 -1.372 -0.123 10.266 281 HD2 PRO 36 2HD PRO 36 0.956 -0.299 8.938 282 HD3 PRO 36 3HD PRO 36 0.339 -1.655 9.907 283 H THR 37 H THR 37 -3.174 -2.686 5.746 284 HA THR 37 HA THR 37 -2.372 -1.303 3.445 285 HB THR 37 HB THR 37 -4.564 -1.830 2.494 286 HG1 THR 37 HG1 THR 37 -5.292 -2.736 5.107 287 HG21 THR 37 3HG2 THR 37 -2.917 -3.636 2.621 288 HG22 THR 37 1HG2 THR 37 -4.552 -4.267 2.821 289 HG23 THR 37 2HG2 THR 37 -3.504 -4.072 4.227 290 H ASP 38 H ASP 38 -4.766 -0.405 5.906 291 HA ASP 38 HA ASP 38 -5.789 1.923 4.829 292 HB2 ASP 38 2HB ASP 38 -5.093 1.302 7.708 293 HB3 ASP 38 3HB ASP 38 -6.080 2.672 7.204 294 H LYS 39 H LYS 39 -2.798 1.592 6.762 295 HA LYS 39 HA LYS 39 -2.045 4.298 6.696 296 HB2 LYS 39 2HB LYS 39 -0.998 2.699 8.217 297 HB3 LYS 39 3HB LYS 39 -0.296 1.832 6.858 298 HG2 LYS 39 2HG LYS 39 1.101 3.737 6.316 299 HG3 LYS 39 3HG LYS 39 0.344 4.691 7.592 300 HD2 LYS 39 2HD LYS 39 1.968 2.170 8.002 301 HD3 LYS 39 3HD LYS 39 2.548 3.815 8.263 302 HE2 LYS 39 2HE LYS 39 0.740 4.111 9.964 303 HE3 LYS 39 3HE LYS 39 0.344 2.404 9.771 304 HZ1 LYS 39 3HZ LYS 39 2.905 3.535 10.752 305 HZ2 LYS 39 1HZ LYS 39 2.656 1.893 10.439 306 HZ3 LYS 39 2HZ LYS 39 1.770 2.667 11.651 307 H ILE 40 H ILE 40 -1.268 1.628 4.483 308 HA ILE 40 HA ILE 40 0.465 2.870 2.714 309 HB ILE 40 HB ILE 40 -1.751 0.926 1.998 310 HG12 ILE 40 2HG1 ILE 40 1.124 0.385 2.795 311 HG13 ILE 40 3HG1 ILE 40 -0.288 0.088 3.803 312 HG21 ILE 40 1HG2 ILE 40 -0.338 0.306 0.092 313 HG22 ILE 40 2HG2 ILE 40 0.822 1.555 0.542 314 HG23 ILE 40 3HG2 ILE 40 -0.802 2.005 0.023 315 HD11 ILE 40 3HD1 ILE 40 0.528 -1.962 2.793 316 HD12 ILE 40 1HD1 ILE 40 0.323 -1.268 1.184 317 HD13 ILE 40 2HD1 ILE 40 -1.086 -1.570 2.201 318 H VAL 41 H VAL 41 -3.055 3.086 2.874 319 HA VAL 41 HA VAL 41 -3.288 4.672 0.473 320 HB VAL 41 HB VAL 41 -5.344 4.136 2.632 321 HG11 VAL 41 1HG1 VAL 41 -5.660 5.188 -0.186 322 HG12 VAL 41 2HG1 VAL 41 -5.921 6.089 1.309 323 HG13 VAL 41 3HG1 VAL 41 -6.986 4.748 0.893 324 HG21 VAL 41 3HG2 VAL 41 -4.832 2.709 0.014 325 HG22 VAL 41 1HG2 VAL 41 -6.210 2.424 1.080 326 HG23 VAL 41 2HG2 VAL 41 -4.577 2.060 1.634 327 H ASN 42 H ASN 42 -3.498 5.332 3.976 328 HA ASN 42 HA ASN 42 -4.213 8.083 3.620 329 HB2 ASN 42 2HB ASN 42 -3.406 6.434 6.008 330 HB3 ASN 42 3HB ASN 42 -3.620 8.176 6.142 331 HD21 ASN 42 1HD2 ASN 42 -5.224 5.147 5.477 332 HD22 ASN 42 2HD2 ASN 42 -6.831 5.728 5.703 333 H LEU 43 H LEU 43 -1.241 6.531 3.272 334 HA LEU 43 HA LEU 43 0.370 8.845 3.942 335 HB2 LEU 43 2HB LEU 43 1.012 6.262 2.516 336 HB3 LEU 43 3HB LEU 43 2.189 7.536 2.757 337 HG LEU 43 HG LEU 43 0.802 5.984 4.957 338 HD11 LEU 43 1HD1 LEU 43 3.000 5.005 5.369 339 HD12 LEU 43 2HD1 LEU 43 3.668 5.895 4.000 340 HD13 LEU 43 3HD1 LEU 43 2.451 4.647 3.730 341 HD21 LEU 43 3HD2 LEU 43 2.953 8.100 5.117 342 HD22 LEU 43 1HD2 LEU 43 2.346 7.141 6.469 343 HD23 LEU 43 2HD2 LEU 43 1.279 8.276 5.644 344 HA PRO 44 HA PRO 44 -0.005 10.834 -0.072 345 HB2 PRO 44 2HB PRO 44 2.198 12.425 0.051 346 HB3 PRO 44 3HB PRO 44 0.717 12.770 0.950 347 HG2 PRO 44 2HG PRO 44 3.249 11.478 1.902 348 HG3 PRO 44 3HG PRO 44 2.253 12.709 2.701 349 HD2 PRO 44 2HD PRO 44 2.130 10.079 3.354 350 HD3 PRO 44 3HD PRO 44 0.724 11.159 3.465 351 H VAL 45 H VAL 45 1.355 11.142 -2.072 352 HA VAL 45 HA VAL 45 2.336 8.700 -2.950 353 HB VAL 45 HB VAL 45 1.513 10.368 -4.501 354 HG11 VAL 45 1HG1 VAL 45 2.323 12.389 -3.423 355 HG12 VAL 45 2HG1 VAL 45 2.840 12.345 -5.109 356 HG13 VAL 45 3HG1 VAL 45 3.989 11.962 -3.826 357 HG21 VAL 45 3HG2 VAL 45 3.216 10.183 -6.255 358 HG22 VAL 45 1HG2 VAL 45 3.030 8.663 -5.378 359 HG23 VAL 45 2HG2 VAL 45 4.412 9.709 -5.049 360 H ASP 46 H ASP 46 4.206 11.497 -1.762 361 HA ASP 46 HA ASP 46 6.754 10.444 -2.395 362 HB2 ASP 46 2HB ASP 46 6.198 12.854 -1.832 363 HB3 ASP 46 3HB ASP 46 6.147 12.371 -0.137 364 H ASP 47 H ASP 47 5.229 10.717 0.832 365 HA ASP 47 HA ASP 47 6.985 9.109 2.238 366 HB2 ASP 47 2HB ASP 47 4.046 9.639 2.671 367 HB3 ASP 47 3HB ASP 47 5.031 8.729 3.814 368 H PHE 48 H PHE 48 4.352 8.118 0.149 369 HA PHE 48 HA PHE 48 4.194 5.409 0.841 370 HB2 PHE 48 2HB PHE 48 2.582 6.431 -0.667 371 HB3 PHE 48 3HB PHE 48 3.844 6.743 -1.857 372 HD1 PHE 48 HD2 PHE 48 2.354 3.881 0.035 373 HD2 PHE 48 HD1 PHE 48 4.071 5.265 -3.615 374 HE1 PHE 48 HE2 PHE 48 1.946 1.686 -0.988 375 HE2 PHE 48 HE1 PHE 48 3.665 3.065 -4.637 376 HZ PHE 48 HZ PHE 48 2.607 1.274 -3.318 377 H ASN 49 H ASN 49 6.199 6.933 -1.712 378 HA ASN 49 HA ASN 49 7.685 4.605 -2.344 379 HB2 ASN 49 2HB ASN 49 8.363 7.534 -2.700 380 HB3 ASN 49 3HB ASN 49 9.344 6.220 -3.344 381 HD21 ASN 49 1HD2 ASN 49 6.378 7.980 -3.635 382 HD22 ASN 49 2HD2 ASN 49 5.909 7.321 -5.159 383 H GLU 50 H GLU 50 8.120 7.088 0.108 384 HA GLU 50 HA GLU 50 10.685 6.345 1.017 385 HB2 GLU 50 2HB GLU 50 8.327 7.594 2.434 386 HB3 GLU 50 3HB GLU 50 9.868 7.314 3.235 387 HG2 GLU 50 2HG GLU 50 9.478 9.010 0.771 388 HG3 GLU 50 3HG GLU 50 9.616 9.620 2.419 389 H LEU 51 H LEU 51 7.467 5.286 2.102 390 HA LEU 51 HA LEU 51 8.215 3.541 4.131 391 HB2 LEU 51 2HB LEU 51 5.895 4.269 3.611 392 HB3 LEU 51 3HB LEU 51 5.904 3.227 2.200 393 HG LEU 51 HG LEU 51 6.195 1.260 3.718 394 HD11 LEU 51 1HD1 LEU 51 7.192 2.373 5.631 395 HD12 LEU 51 2HD1 LEU 51 5.708 1.548 6.108 396 HD13 LEU 51 3HD1 LEU 51 5.714 3.299 5.893 397 HD21 LEU 51 3HD2 LEU 51 3.869 1.233 4.490 398 HD22 LEU 51 1HD2 LEU 51 3.998 1.874 2.853 399 HD23 LEU 51 2HD2 LEU 51 3.755 2.972 4.212 400 H LEU 52 H LEU 52 7.740 2.826 0.671 401 HA LEU 52 HA LEU 52 8.386 0.082 0.779 402 HB2 LEU 52 2HB LEU 52 8.670 2.034 -1.512 403 HB3 LEU 52 3HB LEU 52 8.753 0.289 -1.665 404 HG LEU 52 HG LEU 52 6.325 1.865 -0.781 405 HD11 LEU 52 1HD1 LEU 52 6.874 0.364 -3.343 406 HD12 LEU 52 2HD1 LEU 52 6.796 2.118 -3.163 407 HD13 LEU 52 3HD1 LEU 52 5.352 1.140 -2.904 408 HD21 LEU 52 3HD2 LEU 52 6.425 -0.313 0.323 409 HD22 LEU 52 1HD2 LEU 52 6.660 -1.104 -1.237 410 HD23 LEU 52 2HD2 LEU 52 5.143 -0.277 -0.887 411 H ALA 53 H ALA 53 10.438 2.935 0.449 412 HA ALA 53 HA ALA 53 12.816 1.446 -0.192 413 HB1 ALA 53 3HB ALA 53 12.557 4.292 0.788 414 HB2 ALA 53 1HB ALA 53 12.503 3.784 -0.900 415 HB3 ALA 53 2HB ALA 53 13.980 3.566 0.039 416 H ARG 54 H ARG 54 11.342 2.672 2.757 417 HA ARG 54 HA ARG 54 13.645 2.167 4.418 418 HB2 ARG 54 2HB ARG 54 10.775 2.806 5.161 419 HB3 ARG 54 3HB ARG 54 12.134 2.795 6.279 420 HG2 ARG 54 2HG ARG 54 13.168 4.646 5.123 421 HG3 ARG 54 3HG ARG 54 11.932 4.602 3.868 422 HD2 ARG 54 2HD ARG 54 10.243 5.069 5.703 423 HD3 ARG 54 3HD ARG 54 11.619 5.409 6.757 424 HE ARG 54 HE ARG 54 11.939 6.930 4.447 425 HH11 ARG 54 1HH1 ARG 54 9.841 6.763 7.163 426 HH12 ARG 54 2HH1 ARG 54 9.346 8.412 7.025 427 HH21 ARG 54 1HH2 ARG 54 11.301 9.047 4.269 428 HH22 ARG 54 2HH2 ARG 54 10.158 9.692 5.397 429 H TYR 55 H TYR 55 10.696 0.452 3.563 430 HA TYR 55 HA TYR 55 11.513 -1.815 5.261 431 HB2 TYR 55 2HB TYR 55 8.861 -1.123 3.987 432 HB3 TYR 55 3HB TYR 55 9.186 -2.684 4.735 433 HD1 TYR 55 HD2 TYR 55 9.197 0.979 5.471 434 HD2 TYR 55 HD1 TYR 55 8.849 -2.971 7.034 435 HE1 TYR 55 HE2 TYR 55 8.602 1.907 7.668 436 HE2 TYR 55 HE1 TYR 55 8.252 -2.051 9.234 437 HH TYR 55 HH TYR 55 7.536 1.309 9.698 438 HA PRO 56 HA PRO 56 13.103 -3.176 1.236 439 HB2 PRO 56 2HB PRO 56 14.567 -5.275 2.192 440 HB3 PRO 56 3HB PRO 56 15.113 -3.596 2.259 441 HG2 PRO 56 2HG PRO 56 13.821 -5.249 4.404 442 HG3 PRO 56 3HG PRO 56 15.217 -4.159 4.519 443 HD2 PRO 56 2HD PRO 56 12.748 -3.404 5.314 444 HD3 PRO 56 3HD PRO 56 13.890 -2.258 4.583 445 H LEU 57 H LEU 57 10.830 -3.783 0.747 446 HA LEU 57 HA LEU 57 10.180 -6.612 1.084 447 HB2 LEU 57 2HB LEU 57 8.694 -4.415 -0.382 448 HB3 LEU 57 3HB LEU 57 8.088 -6.032 -0.066 449 HG LEU 57 HG LEU 57 8.705 -3.945 2.039 450 HD11 LEU 57 1HD1 LEU 57 6.283 -3.846 2.350 451 HD12 LEU 57 2HD1 LEU 57 6.055 -4.986 1.023 452 HD13 LEU 57 3HD1 LEU 57 6.733 -3.388 0.708 453 HD21 LEU 57 3HD2 LEU 57 7.634 -5.512 3.604 454 HD22 LEU 57 1HD2 LEU 57 9.087 -6.203 2.882 455 HD23 LEU 57 2HD2 LEU 57 7.497 -6.704 2.311 456 H THR 58 H THR 58 9.561 -7.918 -0.851 457 HA THR 58 HA THR 58 11.547 -7.792 -2.914 458 HB THR 58 HB THR 58 10.503 -9.726 -3.894 459 HG1 THR 58 HG1 THR 58 8.431 -10.456 -2.898 460 HG21 THR 58 3HG2 THR 58 11.739 -10.164 -1.826 461 HG22 THR 58 1HG2 THR 58 10.378 -11.273 -1.989 462 HG23 THR 58 2HG2 THR 58 10.273 -9.904 -0.881 463 H GLU 59 H GLU 59 11.268 -7.293 -5.131 464 HA GLU 59 HA GLU 59 9.685 -5.131 -5.825 465 HB2 GLU 59 2HB GLU 59 10.782 -7.303 -7.628 466 HB3 GLU 59 3HB GLU 59 10.143 -5.766 -8.197 467 HG2 GLU 59 2HG GLU 59 11.889 -4.562 -7.031 468 HG3 GLU 59 3HG GLU 59 12.494 -6.062 -6.332 469 H SER 60 H SER 60 8.786 -8.480 -5.684 470 HA SER 60 HA SER 60 6.318 -8.240 -7.126 471 HB2 SER 60 2HB SER 60 7.205 -10.317 -5.099 472 HB3 SER 60 3HB SER 60 5.791 -10.452 -6.146 473 HG SER 60 HG SER 60 7.887 -11.470 -6.836 474 H GLN 61 H GLN 61 7.199 -8.154 -3.660 475 HA GLN 61 HA GLN 61 4.589 -7.843 -2.642 476 HB2 GLN 61 2HB GLN 61 7.232 -6.873 -1.527 477 HB3 GLN 61 3HB GLN 61 5.712 -6.827 -0.643 478 HG2 GLN 61 2HG GLN 61 5.564 -9.260 -0.751 479 HG3 GLN 61 3HG GLN 61 7.062 -9.322 -1.675 480 HE21 GLN 61 1HE2 GLN 61 5.651 -8.820 1.457 481 HE22 GLN 61 2HE2 GLN 61 7.125 -8.872 2.346 482 H LEU 62 H LEU 62 7.011 -5.369 -3.582 483 HA LEU 62 HA LEU 62 5.500 -3.095 -2.935 484 HB2 LEU 62 2HB LEU 62 7.586 -3.501 -5.076 485 HB3 LEU 62 3HB LEU 62 6.832 -1.949 -4.781 486 HG LEU 62 HG LEU 62 7.701 -2.173 -2.365 487 HD11 LEU 62 1HD1 LEU 62 9.667 -3.564 -2.071 488 HD12 LEU 62 2HD1 LEU 62 9.445 -4.238 -3.687 489 HD13 LEU 62 3HD1 LEU 62 8.242 -4.538 -2.431 490 HD21 LEU 62 3HD2 LEU 62 9.900 -1.299 -2.992 491 HD22 LEU 62 1HD2 LEU 62 8.618 -0.596 -3.979 492 HD23 LEU 62 2HD2 LEU 62 9.654 -1.858 -4.645 493 H ALA 63 H ALA 63 5.364 -5.176 -5.776 494 HA ALA 63 HA ALA 63 3.766 -3.601 -7.449 495 HB1 ALA 63 3HB ALA 63 4.845 -5.673 -8.178 496 HB2 ALA 63 1HB ALA 63 3.117 -5.700 -8.527 497 HB3 ALA 63 2HB ALA 63 3.754 -6.609 -7.156 498 H LEU 64 H LEU 64 2.815 -5.925 -4.930 499 HA LEU 64 HA LEU 64 0.013 -5.530 -5.192 500 HB2 LEU 64 2HB LEU 64 0.937 -7.516 -4.109 501 HB3 LEU 64 3HB LEU 64 1.628 -6.524 -2.837 502 HG LEU 64 HG LEU 64 -0.701 -5.857 -2.176 503 HD11 LEU 64 1HD1 LEU 64 -1.502 -8.003 -4.142 504 HD12 LEU 64 2HD1 LEU 64 -1.836 -6.277 -4.283 505 HD13 LEU 64 3HD1 LEU 64 -2.578 -7.213 -2.987 506 HD21 LEU 64 3HD2 LEU 64 0.495 -7.609 -0.970 507 HD22 LEU 64 1HD2 LEU 64 -0.115 -8.817 -2.103 508 HD23 LEU 64 2HD2 LEU 64 -1.232 -7.954 -1.046 509 H VAL 65 H VAL 65 2.399 -4.208 -2.881 510 HA VAL 65 HA VAL 65 0.684 -2.642 -1.348 511 HB VAL 65 HB VAL 65 3.544 -1.987 -2.105 512 HG11 VAL 65 1HG1 VAL 65 1.866 -1.046 0.227 513 HG12 VAL 65 2HG1 VAL 65 2.422 -0.063 -1.128 514 HG13 VAL 65 3HG1 VAL 65 3.588 -0.729 0.015 515 HG21 VAL 65 3HG2 VAL 65 2.486 -3.554 0.255 516 HG22 VAL 65 1HG2 VAL 65 4.174 -3.143 -0.043 517 HG23 VAL 65 2HG2 VAL 65 3.325 -4.234 -1.140 518 H ARG 66 H ARG 66 2.360 -1.786 -4.378 519 HA ARG 66 HA ARG 66 1.377 0.867 -4.538 520 HB2 ARG 66 2HB ARG 66 2.399 -1.007 -6.683 521 HB3 ARG 66 3HB ARG 66 1.953 0.664 -6.998 522 HG2 ARG 66 2HG ARG 66 3.649 1.377 -5.324 523 HG3 ARG 66 3HG ARG 66 4.150 -0.307 -5.177 524 HD2 ARG 66 2HD ARG 66 4.150 1.224 -7.779 525 HD3 ARG 66 3HD ARG 66 5.550 1.103 -6.719 526 HE ARG 66 HE ARG 66 5.222 -1.421 -7.082 527 HH11 ARG 66 1HH1 ARG 66 4.522 0.979 -9.457 528 HH12 ARG 66 2HH1 ARG 66 4.909 -0.068 -10.778 529 HH21 ARG 66 1HH2 ARG 66 5.718 -2.739 -8.798 530 HH22 ARG 66 2HH2 ARG 66 5.565 -2.139 -10.414 531 H ASP 67 H ASP 67 0.001 -2.216 -5.455 532 HA ASP 67 HA ASP 67 -2.121 -1.159 -7.052 533 HB2 ASP 67 2HB ASP 67 -1.308 -3.492 -7.247 534 HB3 ASP 67 3HB ASP 67 -1.940 -3.832 -5.639 535 H ILE 68 H ILE 68 -2.030 -2.477 -3.725 536 HA ILE 68 HA ILE 68 -4.643 -1.885 -2.955 537 HB ILE 68 HB ILE 68 -2.147 -1.845 -1.234 538 HG12 ILE 68 2HG1 ILE 68 -4.160 -4.054 -1.757 539 HG13 ILE 68 3HG1 ILE 68 -2.530 -3.984 -2.417 540 HG21 ILE 68 1HG2 ILE 68 -4.000 -0.683 -0.133 541 HG22 ILE 68 2HG2 ILE 68 -3.655 -2.216 0.666 542 HG23 ILE 68 3HG2 ILE 68 -5.049 -2.075 -0.407 543 HD11 ILE 68 3HD1 ILE 68 -1.602 -4.170 -0.180 544 HD12 ILE 68 1HD1 ILE 68 -2.686 -5.515 -0.532 545 HD13 ILE 68 2HD1 ILE 68 -3.229 -4.195 0.503 546 H ARG 69 H ARG 69 -1.725 0.128 -2.651 547 HA ARG 69 HA ARG 69 -2.737 2.432 -1.539 548 HB2 ARG 69 2HB ARG 69 -0.391 2.213 -1.968 549 HB3 ARG 69 3HB ARG 69 -0.652 2.028 -3.692 550 HG2 ARG 69 2HG ARG 69 -1.429 4.592 -2.355 551 HG3 ARG 69 3HG ARG 69 0.269 4.269 -2.705 552 HD2 ARG 69 2HD ARG 69 -2.026 4.632 -4.613 553 HD3 ARG 69 3HD ARG 69 -0.459 5.441 -4.596 554 HE ARG 69 HE ARG 69 -0.850 2.623 -5.394 555 HH11 ARG 69 1HH1 ARG 69 0.782 5.631 -5.740 556 HH12 ARG 69 2HH1 ARG 69 1.754 5.075 -7.055 557 HH21 ARG 69 1HH2 ARG 69 0.374 1.927 -7.085 558 HH22 ARG 69 2HH2 ARG 69 1.513 2.999 -7.824 559 H ARG 70 H ARG 70 -2.797 1.529 -4.990 560 HA ARG 70 HA ARG 70 -4.099 3.906 -5.865 561 HB2 ARG 70 2HB ARG 70 -2.740 2.328 -7.293 562 HB3 ARG 70 3HB ARG 70 -4.084 1.198 -7.221 563 HG2 ARG 70 2HG ARG 70 -4.090 2.420 -9.315 564 HG3 ARG 70 3HG ARG 70 -5.519 2.822 -8.363 565 HD2 ARG 70 2HD ARG 70 -3.122 4.566 -8.053 566 HD3 ARG 70 3HD ARG 70 -4.023 4.684 -9.564 567 HE ARG 70 HE ARG 70 -5.984 4.917 -7.768 568 HH11 ARG 70 1HH1 ARG 70 -2.875 6.426 -7.772 569 HH12 ARG 70 2HH1 ARG 70 -3.484 7.914 -7.142 570 HH21 ARG 70 1HH2 ARG 70 -6.739 6.826 -6.964 571 HH22 ARG 70 2HH2 ARG 70 -5.649 8.144 -6.694 572 H ARG 71 H ARG 71 -5.244 0.689 -4.945 573 HA ARG 71 HA ARG 71 -7.944 0.898 -5.629 574 HB2 ARG 71 2HB ARG 71 -6.559 -0.620 -3.412 575 HB3 ARG 71 3HB ARG 71 -8.270 -0.807 -3.765 576 HG2 ARG 71 2HG ARG 71 -7.844 -1.774 -5.866 577 HG3 ARG 71 3HG ARG 71 -6.160 -1.249 -5.860 578 HD2 ARG 71 2HD ARG 71 -6.574 -3.708 -5.383 579 HD3 ARG 71 3HD ARG 71 -5.557 -2.844 -4.232 580 HE ARG 71 HE ARG 71 -7.397 -2.821 -2.697 581 HH11 ARG 71 1HH1 ARG 71 -7.795 -4.890 -5.426 582 HH12 ARG 71 2HH1 ARG 71 -9.045 -5.810 -4.670 583 HH21 ARG 71 1HH2 ARG 71 -8.947 -4.014 -1.736 584 HH22 ARG 71 2HH2 ARG 71 -9.702 -5.312 -2.597 585 H GLY 72 H GLY 72 -6.501 1.425 -2.404 586 HA2 GLY 72 2HA GLY 72 -8.852 2.477 -1.230 587 HA3 GLY 72 3HA GLY 72 -7.223 2.628 -0.590 588 H LYS 73 H LYS 73 -6.107 4.059 -2.829 589 HA LYS 73 HA LYS 73 -6.796 6.698 -2.101 590 HB2 LYS 73 2HB LYS 73 -4.583 5.903 -3.064 591 HB3 LYS 73 3HB LYS 73 -5.359 5.910 -4.642 592 HG2 LYS 73 2HG LYS 73 -4.111 7.938 -4.385 593 HG3 LYS 73 3HG LYS 73 -5.830 8.329 -4.354 594 HD2 LYS 73 2HD LYS 73 -4.707 9.611 -2.643 595 HD3 LYS 73 3HD LYS 73 -5.720 8.396 -1.865 596 HE2 LYS 73 2HE LYS 73 -3.771 6.985 -1.480 597 HE3 LYS 73 3HE LYS 73 -2.745 8.135 -2.337 598 HZ1 LYS 73 3HZ LYS 73 -2.578 8.365 0.073 599 HZ2 LYS 73 1HZ LYS 73 -4.231 8.702 0.175 600 HZ3 LYS 73 2HZ LYS 73 -3.201 9.772 -0.630 601 H ASN 74 H ASN 74 -7.839 4.646 -4.797 602 HA ASN 74 HA ASN 74 -9.439 6.661 -6.059 603 HB2 ASN 74 2HB ASN 74 -9.617 3.639 -6.207 604 HB3 ASN 74 3HB ASN 74 -10.548 4.743 -7.214 605 HD21 ASN 74 1HD2 ASN 74 -8.703 2.754 -8.088 606 HD22 ASN 74 2HD2 ASN 74 -7.454 3.580 -8.947 607 H LYS 75 H LYS 75 -10.011 4.256 -3.569 608 HA LYS 75 HA LYS 75 -12.770 4.429 -3.244 609 HB2 LYS 75 2HB LYS 75 -11.482 2.741 -2.111 610 HB3 LYS 75 3HB LYS 75 -10.561 3.953 -1.238 611 HG2 LYS 75 2HG LYS 75 -12.614 4.602 -0.026 612 HG3 LYS 75 3HG LYS 75 -13.486 3.315 -0.865 613 HD2 LYS 75 2HD LYS 75 -12.074 1.631 0.151 614 HD3 LYS 75 3HD LYS 75 -11.048 2.873 0.872 615 HE2 LYS 75 2HE LYS 75 -13.961 2.409 1.517 616 HE3 LYS 75 3HE LYS 75 -12.598 1.887 2.505 617 HZ1 LYS 75 3HZ LYS 75 -11.957 4.232 2.738 618 HZ2 LYS 75 1HZ LYS 75 -13.495 3.920 3.365 619 HZ3 LYS 75 2HZ LYS 75 -13.339 4.691 1.872 620 H VAL 76 H VAL 76 -10.221 6.499 -1.864 621 HA VAL 76 HA VAL 76 -12.179 8.190 -0.542 622 HB VAL 76 HB VAL 76 -10.030 7.789 0.568 623 HG11 VAL 76 1HG1 VAL 76 -7.955 8.754 -0.258 624 HG12 VAL 76 2HG1 VAL 76 -8.779 9.335 -1.705 625 HG13 VAL 76 3HG1 VAL 76 -8.610 7.601 -1.423 626 HG21 VAL 76 3HG2 VAL 76 -11.251 9.845 1.066 627 HG22 VAL 76 1HG2 VAL 76 -10.410 10.678 -0.244 628 HG23 VAL 76 2HG2 VAL 76 -9.511 10.113 1.164 629 H ALA 77 H ALA 77 -10.045 8.400 -3.387 630 HA ALA 77 HA ALA 77 -10.504 11.095 -4.048 631 HB1 ALA 77 3HB ALA 77 -9.912 8.804 -5.926 632 HB2 ALA 77 1HB ALA 77 -8.711 9.748 -5.045 633 HB3 ALA 77 2HB ALA 77 -9.704 10.519 -6.280 634 H ALA 78 H ALA 78 -12.501 8.286 -4.475 635 HA ALA 78 HA ALA 78 -14.211 9.119 -6.517 636 HB1 ALA 78 3HB ALA 78 -14.191 6.845 -5.608 637 HB2 ALA 78 1HB ALA 78 -15.818 7.523 -5.616 638 HB3 ALA 78 2HB ALA 78 -14.906 7.434 -4.107 639 H GLN 79 H GLN 79 -13.978 10.258 -3.245 640 HA GLN 79 HA GLN 79 -16.615 11.454 -3.192 641 HB2 GLN 79 2HB GLN 79 -14.250 11.841 -1.343 642 HB3 GLN 79 3HB GLN 79 -15.880 12.431 -1.050 643 HG2 GLN 79 2HG GLN 79 -16.690 10.100 -1.009 644 HG3 GLN 79 3HG GLN 79 -15.031 9.541 -1.232 645 HE21 GLN 79 1HE2 GLN 79 -13.550 9.802 0.466 646 HE22 GLN 79 2HE2 GLN 79 -14.065 10.093 2.088 647 H ASN 80 H ASN 80 -13.723 12.305 -4.685 648 HA ASN 80 HA ASN 80 -14.595 15.083 -4.993 649 HB2 ASN 80 2HB ASN 80 -12.359 15.971 -4.463 650 HB3 ASN 80 3HB ASN 80 -13.077 15.153 -3.080 651 HD21 ASN 80 1HD2 ASN 80 -10.616 14.983 -5.543 652 HD22 ASN 80 2HD2 ASN 80 -9.685 13.738 -4.791 653 H TYR 81 H TYR 81 -14.403 12.722 -6.798 654 HA TYR 81 HA TYR 81 -12.145 13.140 -8.513 655 HB2 TYR 81 2HB TYR 81 -13.212 10.927 -8.355 656 HB3 TYR 81 3HB TYR 81 -14.693 11.585 -9.050 657 HD1 TYR 81 HD1 TYR 81 -11.130 10.837 -9.770 658 HD2 TYR 81 HD2 TYR 81 -14.931 11.835 -11.415 659 HE1 TYR 81 HE1 TYR 81 -10.263 10.403 -12.030 660 HE2 TYR 81 HE2 TYR 81 -14.074 11.396 -13.675 661 HH TYR 81 HH TYR 81 -11.586 11.492 -14.730 662 H ARG 82 H ARG 82 -11.899 14.485 -10.171 663 HA ARG 82 HA ARG 82 -13.711 16.539 -10.810 664 HB2 ARG 82 2HB ARG 82 -11.235 16.579 -11.157 665 HB3 ARG 82 3HB ARG 82 -11.441 15.479 -12.512 666 HG2 ARG 82 2HG ARG 82 -12.623 17.123 -13.772 667 HG3 ARG 82 3HG ARG 82 -12.740 18.192 -12.373 668 HD2 ARG 82 2HD ARG 82 -10.211 17.410 -13.834 669 HD3 ARG 82 3HD ARG 82 -11.008 18.984 -13.872 670 HE ARG 82 HE ARG 82 -10.395 18.281 -11.208 671 HH11 ARG 82 1HH1 ARG 82 -8.873 19.360 -14.101 672 HH12 ARG 82 2HH1 ARG 82 -7.561 20.105 -13.254 673 HH21 ARG 82 1HH2 ARG 82 -8.706 19.231 -10.144 674 HH22 ARG 82 2HH2 ARG 82 -7.475 20.043 -11.047 675 H LYS 83 H LYS 83 -15.632 16.256 -11.745 676 HA LYS 83 HA LYS 83 -16.466 13.794 -12.778 677 HB2 LYS 83 2HB LYS 83 -17.831 15.731 -11.728 678 HB3 LYS 83 3HB LYS 83 -17.934 16.352 -13.370 679 HG2 LYS 83 2HG LYS 83 -19.908 15.073 -12.862 680 HG3 LYS 83 3HG LYS 83 -18.962 14.228 -14.085 681 HD2 LYS 83 2HD LYS 83 -19.707 12.582 -12.537 682 HD3 LYS 83 3HD LYS 83 -17.992 12.828 -12.223 683 HE2 LYS 83 2HE LYS 83 -20.240 14.089 -10.644 684 HE3 LYS 83 3HE LYS 83 -19.367 12.640 -10.159 685 HZ1 LYS 83 3HZ LYS 83 -17.315 14.012 -10.135 686 HZ2 LYS 83 1HZ LYS 83 -18.474 14.514 -9.009 687 HZ3 LYS 83 2HZ LYS 83 -18.259 15.381 -10.438 688 H ARG 84 H ARG 84 -16.693 12.930 -14.781 689 HA ARG 84 HA ARG 84 -15.392 14.231 -17.026 690 HB2 ARG 84 2HB ARG 84 -16.749 11.532 -16.821 691 HB3 ARG 84 3HB ARG 84 -15.810 12.088 -18.201 692 HG2 ARG 84 2HG ARG 84 -13.798 12.155 -16.834 693 HG3 ARG 84 3HG ARG 84 -14.728 11.685 -15.409 694 HD2 ARG 84 2HD ARG 84 -15.304 9.558 -16.493 695 HD3 ARG 84 3HD ARG 84 -14.363 10.026 -17.912 696 HE ARG 84 HE ARG 84 -12.614 10.201 -15.812 697 HH11 ARG 84 1HH1 ARG 84 -14.584 7.697 -17.119 698 HH12 ARG 84 2HH1 ARG 84 -13.493 6.445 -16.640 699 HH21 ARG 84 1HH2 ARG 84 -11.221 8.599 -15.210 700 HH22 ARG 84 2HH2 ARG 84 -11.611 6.947 -15.559 701 H LYS 85 H LYS 85 -16.519 15.701 -18.143 702 HA LYS 85 HA LYS 85 -19.351 15.812 -18.311 703 HB2 LYS 85 2HB LYS 85 -17.978 17.818 -18.495 704 HB3 LYS 85 3HB LYS 85 -17.207 17.192 -19.946 705 HG2 LYS 85 2HG LYS 85 -19.383 17.273 -21.112 706 HG3 LYS 85 3HG LYS 85 -20.109 17.966 -19.663 707 HD2 LYS 85 2HD LYS 85 -19.655 19.785 -21.117 708 HD3 LYS 85 3HD LYS 85 -18.431 19.847 -19.850 709 HE2 LYS 85 2HE LYS 85 -17.983 18.593 -22.563 710 HE3 LYS 85 3HE LYS 85 -17.591 20.266 -22.183 711 HZ1 LYS 85 3HZ LYS 85 -16.059 19.459 -20.471 712 HZ2 LYS 85 1HZ LYS 85 -15.646 18.876 -22.004 713 HZ3 LYS 85 2HZ LYS 85 -16.409 17.861 -20.896 714 H LEU 86 H LEU 86 -20.706 14.700 -19.619 715 HA LEU 86 HA LEU 86 -19.643 13.229 -21.905 716 HB2 LEU 86 2HB LEU 86 -21.230 12.114 -20.413 717 HB3 LEU 86 3HB LEU 86 -22.434 13.341 -20.753 718 HG LEU 86 HG LEU 86 -22.493 12.607 -23.120 719 HD11 LEU 86 1HD1 LEU 86 -20.648 10.406 -22.191 720 HD12 LEU 86 2HD1 LEU 86 -20.233 11.711 -23.304 721 HD13 LEU 86 3HD1 LEU 86 -21.431 10.505 -23.770 722 HD21 LEU 86 3HD2 LEU 86 -24.100 11.717 -21.514 723 HD22 LEU 86 1HD2 LEU 86 -22.989 10.407 -21.114 724 HD23 LEU 86 2HD2 LEU 86 -23.686 10.512 -22.732 725 H GLU 87 H GLU 87 -19.121 14.828 -23.373 726 HA GLU 87 HA GLU 87 -21.173 16.758 -24.172 727 HB2 GLU 87 2HB GLU 87 -18.905 17.566 -23.602 728 HB3 GLU 87 3HB GLU 87 -18.238 16.594 -24.905 729 HG2 GLU 87 2HG GLU 87 -19.431 17.922 -26.548 730 HG3 GLU 87 3HG GLU 87 -20.193 18.861 -25.263 731 H THR 88 H THR 88 -22.563 15.567 -25.487 732 HA THR 88 HA THR 88 -21.496 14.086 -27.761 733 HB THR 88 HB THR 88 -24.392 14.620 -27.020 734 HG1 THR 88 HG1 THR 88 -23.536 13.286 -25.463 735 HG21 THR 88 3HG2 THR 88 -23.184 12.691 -29.014 736 HG22 THR 88 1HG2 THR 88 -24.147 14.117 -29.398 737 HG23 THR 88 2HG2 THR 88 -24.887 12.753 -28.558 738 H ILE 89 H ILE 89 -20.526 15.673 -29.026 739 HA ILE 89 HA ILE 89 -22.389 17.517 -30.394 740 HB ILE 89 HB ILE 89 -19.535 18.129 -29.579 741 HG12 ILE 89 2HG1 ILE 89 -21.137 18.305 -27.712 742 HG13 ILE 89 3HG1 ILE 89 -20.516 19.885 -28.172 743 HG21 ILE 89 1HG2 ILE 89 -19.963 20.380 -30.521 744 HG22 ILE 89 2HG2 ILE 89 -21.497 19.791 -31.162 745 HG23 ILE 89 3HG2 ILE 89 -19.978 19.107 -31.742 746 HD11 ILE 89 3HD1 ILE 89 -23.200 18.761 -28.942 747 HD12 ILE 89 1HD1 ILE 89 -22.582 20.355 -29.373 748 HD13 ILE 89 2HD1 ILE 89 -22.895 19.957 -27.684 749 H VAL 90 H VAL 90 -22.607 16.742 -32.407 750 HA VAL 90 HA VAL 90 -20.297 16.540 -34.119 751 HB VAL 90 HB VAL 90 -20.314 14.277 -33.187 752 HG11 VAL 90 1HG1 VAL 90 -22.184 12.741 -33.597 753 HG12 VAL 90 2HG1 VAL 90 -23.121 14.068 -34.285 754 HG13 VAL 90 3HG1 VAL 90 -22.664 14.102 -32.583 755 HG21 VAL 90 3HG2 VAL 90 -21.248 14.338 -36.065 756 HG22 VAL 90 1HG2 VAL 90 -20.387 13.007 -35.288 757 HG23 VAL 90 2HG2 VAL 90 -19.592 14.566 -35.503 758 H GLN 91 H GLN 91 -20.761 16.967 -36.214 759 HA GLN 91 HA GLN 91 -23.174 18.228 -36.895 760 HB2 GLN 91 2HB GLN 91 -21.084 18.772 -38.003 761 HB3 GLN 91 3HB GLN 91 -20.964 17.145 -38.658 762 HG2 GLN 91 2HG GLN 91 -22.964 17.543 -40.015 763 HG3 GLN 91 3HG GLN 91 -23.086 19.174 -39.359 764 HE21 GLN 91 1HE2 GLN 91 -22.900 20.072 -41.417 765 HE22 GLN 91 2HE2 GLN 91 -21.386 20.129 -42.250 Start of MODEL 7 1 H1 MET 1 1H MET 1 38.061 -21.028 26.964 2 H2 MET 1 2H MET 1 39.353 -20.196 27.665 3 H3 MET 1 3H MET 1 38.854 -21.673 28.316 4 HA MET 1 HA MET 1 39.958 -21.326 25.590 5 HB2 MET 1 2HB MET 1 41.675 -20.832 27.267 6 HB3 MET 1 3HB MET 1 41.313 -22.333 28.108 7 HG2 MET 1 2HG MET 1 42.074 -23.609 26.160 8 HG3 MET 1 3HG MET 1 42.439 -22.105 25.319 9 HE1 MET 1 3HE MET 1 45.391 -20.662 27.442 10 HE2 MET 1 1HE MET 1 43.675 -20.303 27.651 11 HE3 MET 1 2HE MET 1 44.360 -20.433 26.030 12 H GLY 2 H GLY 2 39.855 -23.117 24.311 13 HA2 GLY 2 2HA GLY 2 40.010 -25.473 23.969 14 HA3 GLY 2 3HA GLY 2 39.352 -25.734 25.573 15 H HIS 3 H HIS 3 37.466 -26.740 25.416 16 HA HIS 3 HA HIS 3 35.791 -26.288 23.036 17 HB2 HIS 3 2HB HIS 3 34.765 -28.490 23.606 18 HB3 HIS 3 3HB HIS 3 36.491 -28.583 23.274 19 HD1 HIS 3 HD1 HIS 3 38.050 -29.150 25.253 20 HD2 HIS 3 HD2 HIS 3 34.014 -29.132 26.239 21 HE1 HIS 3 HE1 HIS 3 37.910 -30.228 27.515 22 HE2 HIS 3 HE2 HIS 3 35.454 -30.331 28.027 23 H HIS 4 H HIS 4 33.810 -25.441 23.174 24 HA HIS 4 HA HIS 4 32.630 -25.011 25.842 25 HB2 HIS 4 2HB HIS 4 31.310 -23.217 24.801 26 HB3 HIS 4 3HB HIS 4 33.033 -22.956 24.562 27 HD1 HIS 4 HD1 HIS 4 33.945 -23.185 22.143 28 HD2 HIS 4 HD2 HIS 4 29.830 -23.649 22.459 29 HE1 HIS 4 HE1 HIS 4 33.074 -23.041 19.795 30 HE2 HIS 4 HE2 HIS 4 30.625 -23.576 20.001 31 H HIS 5 H HIS 5 30.116 -24.950 25.765 32 HA HIS 5 HA HIS 5 29.165 -27.209 24.106 33 HB2 HIS 5 2HB HIS 5 27.443 -27.557 25.936 34 HB3 HIS 5 3HB HIS 5 29.105 -27.949 26.350 35 HD1 HIS 5 HD1 HIS 5 30.171 -26.670 28.267 36 HD2 HIS 5 HD2 HIS 5 26.410 -25.231 27.241 37 HE1 HIS 5 HE1 HIS 5 29.521 -25.104 30.120 38 HE2 HIS 5 HE2 HIS 5 27.185 -24.377 29.554 39 H HIS 6 H HIS 6 27.953 -26.510 22.462 40 HA HIS 6 HA HIS 6 26.605 -23.973 22.548 41 HB2 HIS 6 2HB HIS 6 25.829 -24.529 20.255 42 HB3 HIS 6 3HB HIS 6 27.571 -24.660 20.452 43 HD1 HIS 6 HD1 HIS 6 24.502 -26.743 19.891 44 HD2 HIS 6 HD2 HIS 6 28.626 -27.197 20.034 45 HE1 HIS 6 HE1 HIS 6 24.955 -29.037 18.993 46 HE2 HIS 6 HE2 HIS 6 27.422 -29.365 19.315 47 H HIS 7 H HIS 7 24.274 -23.756 21.863 48 HA HIS 7 HA HIS 7 22.617 -25.678 23.383 49 HB2 HIS 7 2HB HIS 7 21.364 -23.607 24.227 50 HB3 HIS 7 3HB HIS 7 22.961 -23.904 24.909 51 HD1 HIS 7 HD1 HIS 7 24.807 -22.193 24.409 52 HD2 HIS 7 HD2 HIS 7 21.207 -21.338 22.510 53 HE1 HIS 7 HE1 HIS 7 25.077 -19.889 23.460 54 HE2 HIS 7 HE2 HIS 7 22.953 -19.457 22.192 55 H HIS 8 H HIS 8 20.762 -26.282 22.408 56 HA HIS 8 HA HIS 8 19.942 -24.860 19.956 57 HB2 HIS 8 2HB HIS 8 18.871 -26.980 19.288 58 HB3 HIS 8 3HB HIS 8 20.596 -27.169 19.571 59 HD1 HIS 8 HD1 HIS 8 17.336 -27.740 21.483 60 HD2 HIS 8 HD2 HIS 8 21.193 -29.268 21.171 61 HE1 HIS 8 HE1 HIS 8 17.386 -29.757 22.972 62 HE2 HIS 8 HE2 HIS 8 19.742 -30.621 22.829 63 H SER 9 H SER 9 17.770 -24.370 19.561 64 HA SER 9 HA SER 9 15.636 -25.206 21.251 65 HB2 SER 9 2HB SER 9 16.601 -23.579 22.819 66 HB3 SER 9 3HB SER 9 16.526 -22.322 21.586 67 HG SER 9 HG SER 9 14.250 -23.729 22.561 68 H HIS 10 H HIS 10 14.319 -25.603 19.556 69 HA HIS 10 HA HIS 10 13.796 -23.485 17.589 70 HB2 HIS 10 2HB HIS 10 12.868 -26.363 17.715 71 HB3 HIS 10 3HB HIS 10 12.419 -25.231 16.445 72 HD1 HIS 10 HD1 HIS 10 14.249 -27.973 16.393 73 HD2 HIS 10 HD2 HIS 10 15.427 -24.033 15.815 74 HE1 HIS 10 HE1 HIS 10 16.370 -28.096 15.064 75 HE2 HIS 10 HE2 HIS 10 16.940 -25.703 14.550 76 H MET 11 H MET 11 11.648 -22.744 17.158 77 HA MET 11 HA MET 11 10.006 -22.434 19.483 78 HB2 MET 11 2HB MET 11 9.576 -21.625 16.602 79 HB3 MET 11 3HB MET 11 8.450 -21.240 17.898 80 HG2 MET 11 2HG MET 11 11.323 -20.350 17.726 81 HG3 MET 11 3HG MET 11 9.900 -19.356 17.416 82 HE1 MET 11 3HE MET 11 11.289 -17.929 20.816 83 HE2 MET 11 1HE MET 11 10.827 -17.534 19.160 84 HE3 MET 11 2HE MET 11 12.237 -18.548 19.464 85 H ALA 12 H ALA 12 9.107 -24.294 20.186 86 HA ALA 12 HA ALA 12 7.989 -26.292 18.487 87 HB1 ALA 12 3HB ALA 12 7.667 -25.900 21.468 88 HB2 ALA 12 1HB ALA 12 8.944 -26.824 20.677 89 HB3 ALA 12 2HB ALA 12 7.270 -27.362 20.564 90 H LYS 13 H LYS 13 6.170 -26.057 17.390 91 HA LYS 13 HA LYS 13 4.097 -25.463 16.716 92 HB2 LYS 13 2HB LYS 13 3.543 -25.332 19.684 93 HB3 LYS 13 3HB LYS 13 2.306 -25.221 18.442 94 HG2 LYS 13 2HG LYS 13 4.131 -27.601 18.750 95 HG3 LYS 13 3HG LYS 13 2.564 -27.469 19.540 96 HD2 LYS 13 2HD LYS 13 2.146 -28.735 17.599 97 HD3 LYS 13 3HD LYS 13 1.594 -27.110 17.192 98 HE2 LYS 13 2HE LYS 13 3.663 -26.701 15.966 99 HE3 LYS 13 3HE LYS 13 4.274 -28.287 16.431 100 HZ1 LYS 13 3HZ LYS 13 1.852 -27.822 14.774 101 HZ2 LYS 13 1HZ LYS 13 2.533 -29.320 15.161 102 HZ3 LYS 13 2HZ LYS 13 3.377 -28.241 14.171 103 HA PRO 14 HA PRO 14 4.773 -20.946 17.170 104 HB2 PRO 14 2HB PRO 14 5.418 -20.411 14.623 105 HB3 PRO 14 3HB PRO 14 6.603 -21.116 15.731 106 HG2 PRO 14 2HG PRO 14 4.972 -22.445 13.600 107 HG3 PRO 14 3HG PRO 14 6.670 -22.709 14.038 108 HD2 PRO 14 2HD PRO 14 4.543 -24.300 14.863 109 HD3 PRO 14 3HD PRO 14 6.122 -24.215 15.670 110 H THR 15 H THR 15 2.260 -21.918 17.301 111 HA THR 15 HA THR 15 0.573 -21.557 15.083 112 HB THR 15 HB THR 15 -0.207 -21.164 17.988 113 HG1 THR 15 HG1 THR 15 -0.065 -23.261 18.217 114 HG21 THR 15 3HG2 THR 15 -1.931 -20.459 16.403 115 HG22 THR 15 1HG2 THR 15 -2.415 -21.939 17.232 116 HG23 THR 15 2HG2 THR 15 -1.821 -22.013 15.572 117 H ALA 16 H ALA 16 0.848 -19.667 13.976 118 HA ALA 16 HA ALA 16 0.965 -17.102 15.261 119 HB1 ALA 16 3HB ALA 16 0.652 -17.800 12.342 120 HB2 ALA 16 1HB ALA 16 2.179 -17.536 13.187 121 HB3 ALA 16 2HB ALA 16 1.038 -16.205 12.989 122 H ARG 17 H ARG 17 -0.571 -15.403 15.095 123 HA ARG 17 HA ARG 17 -3.337 -16.349 14.968 124 HB2 ARG 17 2HB ARG 17 -2.375 -14.981 16.905 125 HB3 ARG 17 3HB ARG 17 -2.402 -13.605 15.813 126 HG2 ARG 17 2HG ARG 17 -4.368 -13.533 17.177 127 HG3 ARG 17 3HG ARG 17 -4.854 -13.943 15.530 128 HD2 ARG 17 2HD ARG 17 -6.044 -15.318 17.171 129 HD3 ARG 17 3HD ARG 17 -4.997 -16.309 16.155 130 HE ARG 17 HE ARG 17 -3.649 -15.544 18.526 131 HH11 ARG 17 1HH1 ARG 17 -6.086 -17.707 17.392 132 HH12 ARG 17 2HH1 ARG 17 -5.818 -18.842 18.669 133 HH21 ARG 17 1HH2 ARG 17 -3.332 -16.989 20.154 134 HH22 ARG 17 2HH2 ARG 17 -4.293 -18.426 20.235 135 H GLY 18 H GLY 18 -4.512 -16.077 13.163 136 HA2 GLY 18 2HA GLY 18 -3.548 -14.440 10.988 137 HA3 GLY 18 3HA GLY 18 -4.989 -15.441 10.986 138 H GLU 19 H GLU 19 -3.756 -12.388 12.383 139 HA GLU 19 HA GLU 19 -6.366 -11.296 12.809 140 HB2 GLU 19 2HB GLU 19 -3.678 -9.907 12.661 141 HB3 GLU 19 3HB GLU 19 -5.166 -9.181 13.256 142 HG2 GLU 19 2HG GLU 19 -5.237 -10.817 15.075 143 HG3 GLU 19 3HG GLU 19 -3.750 -11.549 14.473 144 H ALA 20 H ALA 20 -7.646 -11.084 11.005 145 HA ALA 20 HA ALA 20 -6.627 -9.359 8.838 146 HB1 ALA 20 3HB ALA 20 -7.646 -10.767 7.152 147 HB2 ALA 20 1HB ALA 20 -8.247 -11.868 8.392 148 HB3 ALA 20 2HB ALA 20 -6.513 -11.711 8.117 149 H GLY 21 H GLY 21 -7.785 -7.550 9.392 150 HA2 GLY 21 2HA GLY 21 -10.635 -7.675 9.912 151 HA3 GLY 21 3HA GLY 21 -9.650 -6.224 9.819 152 H SER 22 H SER 22 -9.116 -5.388 7.693 153 HA SER 22 HA SER 22 -11.318 -5.339 5.912 154 HB2 SER 22 2HB SER 22 -8.486 -4.374 5.421 155 HB3 SER 22 3HB SER 22 -9.918 -3.904 4.503 156 HG SER 22 HG SER 22 -8.967 -2.730 6.622 157 H ARG 23 H ARG 23 -11.037 -5.649 3.478 158 HA ARG 23 HA ARG 23 -10.547 -8.377 2.929 159 HB2 ARG 23 2HB ARG 23 -12.112 -6.881 1.662 160 HB3 ARG 23 3HB ARG 23 -10.712 -6.109 0.928 161 HG2 ARG 23 2HG ARG 23 -10.065 -8.285 -0.058 162 HG3 ARG 23 3HG ARG 23 -11.522 -9.001 0.634 163 HD2 ARG 23 2HD ARG 23 -12.851 -7.287 -0.650 164 HD3 ARG 23 3HD ARG 23 -11.354 -6.839 -1.467 165 HE ARG 23 HE ARG 23 -12.448 -9.576 -1.586 166 HH11 ARG 23 1HH1 ARG 23 -11.132 -6.797 -3.138 167 HH12 ARG 23 2HH1 ARG 23 -11.140 -7.533 -4.702 168 HH21 ARG 23 1HH2 ARG 23 -12.481 -10.501 -3.593 169 HH22 ARG 23 2HH2 ARG 23 -11.916 -9.609 -4.959 170 H ASP 24 H ASP 24 -8.662 -5.459 2.228 171 HA ASP 24 HA ASP 24 -6.582 -6.634 0.777 172 HB2 ASP 24 2HB ASP 24 -6.647 -4.158 2.506 173 HB3 ASP 24 3HB ASP 24 -5.246 -4.616 1.542 174 H GLU 25 H GLU 25 -7.168 -6.663 4.221 175 HA GLU 25 HA GLU 25 -4.600 -7.140 5.182 176 HB2 GLU 25 2HB GLU 25 -7.101 -8.471 6.245 177 HB3 GLU 25 3HB GLU 25 -5.612 -8.155 7.126 178 HG2 GLU 25 2HG GLU 25 -7.732 -6.228 6.251 179 HG3 GLU 25 3HG GLU 25 -7.119 -6.537 7.871 180 H ARG 26 H ARG 26 -6.887 -9.374 3.673 181 HA ARG 26 HA ARG 26 -5.410 -11.755 4.096 182 HB2 ARG 26 2HB ARG 26 -7.453 -10.971 2.012 183 HB3 ARG 26 3HB ARG 26 -6.672 -12.545 1.987 184 HG2 ARG 26 2HG ARG 26 -8.785 -12.800 3.056 185 HG3 ARG 26 3HG ARG 26 -7.542 -12.940 4.300 186 HD2 ARG 26 2HD ARG 26 -7.964 -10.615 4.975 187 HD3 ARG 26 3HD ARG 26 -9.192 -10.473 3.717 188 HE ARG 26 HE ARG 26 -9.880 -12.639 5.329 189 HH11 ARG 26 1HH1 ARG 26 -9.605 -9.221 5.579 190 HH12 ARG 26 2HH1 ARG 26 -10.794 -9.101 6.822 191 HH21 ARG 26 1HH2 ARG 26 -11.425 -12.479 6.928 192 HH22 ARG 26 2HH2 ARG 26 -11.810 -10.927 7.578 193 H ARG 27 H ARG 27 -5.482 -9.484 1.359 194 HA ARG 27 HA ARG 27 -3.478 -10.618 -0.223 195 HB2 ARG 27 2HB ARG 27 -4.538 -7.829 0.131 196 HB3 ARG 27 3HB ARG 27 -3.119 -8.081 -0.874 197 HG2 ARG 27 2HG ARG 27 -4.310 -8.972 -2.560 198 HG3 ARG 27 3HG ARG 27 -5.339 -9.905 -1.478 199 HD2 ARG 27 2HD ARG 27 -6.547 -8.180 -2.824 200 HD3 ARG 27 3HD ARG 27 -6.762 -8.029 -1.085 201 HE ARG 27 HE ARG 27 -5.519 -6.050 -1.117 202 HH11 ARG 27 1HH1 ARG 27 -5.640 -7.417 -4.291 203 HH12 ARG 27 2HH1 ARG 27 -5.297 -5.899 -5.052 204 HH21 ARG 27 1HH2 ARG 27 -5.122 -4.135 -2.120 205 HH22 ARG 27 2HH2 ARG 27 -4.993 -4.081 -3.849 206 H ALA 28 H ALA 28 -3.222 -8.420 2.537 207 HA ALA 28 HA ALA 28 -0.469 -7.852 2.353 208 HB1 ALA 28 3HB ALA 28 -2.010 -6.515 3.686 209 HB2 ALA 28 1HB ALA 28 -0.669 -7.093 4.674 210 HB3 ALA 28 2HB ALA 28 -2.250 -7.868 4.792 211 H LEU 29 H LEU 29 -2.171 -10.256 4.394 212 HA LEU 29 HA LEU 29 0.292 -11.336 5.395 213 HB2 LEU 29 2HB LEU 29 -1.132 -13.056 6.458 214 HB3 LEU 29 3HB LEU 29 -1.619 -11.415 6.820 215 HG LEU 29 HG LEU 29 -3.350 -11.771 4.889 216 HD11 LEU 29 1HD1 LEU 29 -4.143 -14.082 4.698 217 HD12 LEU 29 2HD1 LEU 29 -2.774 -14.632 5.667 218 HD13 LEU 29 3HD1 LEU 29 -2.499 -13.903 4.084 219 HD21 LEU 29 3HD2 LEU 29 -4.976 -12.633 6.504 220 HD22 LEU 29 1HD2 LEU 29 -3.941 -11.396 7.218 221 HD23 LEU 29 2HD2 LEU 29 -3.660 -13.100 7.580 222 H ALA 30 H ALA 30 -1.620 -11.963 2.586 223 HA ALA 30 HA ALA 30 -0.690 -14.612 2.064 224 HB1 ALA 30 3HB ALA 30 -1.727 -12.560 0.105 225 HB2 ALA 30 1HB ALA 30 -2.721 -13.681 1.034 226 HB3 ALA 30 2HB ALA 30 -1.592 -14.298 -0.170 227 H MET 31 H MET 31 0.458 -11.396 1.102 228 HA MET 31 HA MET 31 2.792 -12.599 -0.225 229 HB2 MET 31 2HB MET 31 1.764 -9.752 -0.173 230 HB3 MET 31 3HB MET 31 3.245 -10.251 -0.983 231 HG2 MET 31 2HG MET 31 0.497 -11.309 -1.624 232 HG3 MET 31 3HG MET 31 1.313 -10.015 -2.501 233 HE1 MET 31 3HE MET 31 4.361 -11.874 -4.084 234 HE2 MET 31 1HE MET 31 4.339 -11.021 -2.544 235 HE3 MET 31 2HE MET 31 3.498 -10.340 -3.934 236 H LYS 32 H LYS 32 2.000 -11.685 2.808 237 HA LYS 32 HA LYS 32 3.106 -11.205 4.716 238 HB2 LYS 32 2HB LYS 32 5.521 -12.029 3.094 239 HB3 LYS 32 3HB LYS 32 5.555 -11.718 4.826 240 HG2 LYS 32 2HG LYS 32 3.872 -13.518 5.131 241 HG3 LYS 32 3HG LYS 32 3.990 -13.870 3.404 242 HD2 LYS 32 2HD LYS 32 6.279 -14.000 5.382 243 HD3 LYS 32 3HD LYS 32 5.373 -15.387 4.779 244 HE2 LYS 32 2HE LYS 32 7.017 -13.492 3.096 245 HE3 LYS 32 3HE LYS 32 7.508 -15.108 3.602 246 HZ1 LYS 32 3HZ LYS 32 5.552 -15.973 2.383 247 HZ2 LYS 32 1HZ LYS 32 6.682 -15.213 1.381 248 HZ3 LYS 32 2HZ LYS 32 5.253 -14.417 1.798 249 H ILE 33 H ILE 33 2.420 -8.985 4.353 250 HA ILE 33 HA ILE 33 4.524 -7.082 3.642 251 HB ILE 33 HB ILE 33 1.651 -6.617 4.494 252 HG12 ILE 33 2HG1 ILE 33 1.855 -7.697 2.296 253 HG13 ILE 33 3HG1 ILE 33 1.270 -6.046 2.130 254 HG21 ILE 33 1HG2 ILE 33 3.696 -4.636 3.474 255 HG22 ILE 33 2HG2 ILE 33 3.046 -4.712 5.111 256 HG23 ILE 33 3HG2 ILE 33 1.990 -4.290 3.764 257 HD11 ILE 33 3HD1 ILE 33 4.097 -6.974 1.642 258 HD12 ILE 33 1HD1 ILE 33 3.504 -5.321 1.458 259 HD13 ILE 33 2HD1 ILE 33 2.892 -6.600 0.408 260 HA PRO 34 HA PRO 34 5.568 -7.007 8.026 261 HB2 PRO 34 2HB PRO 34 7.919 -5.741 7.823 262 HB3 PRO 34 3HB PRO 34 7.702 -7.384 7.207 263 HG2 PRO 34 2HG PRO 34 7.726 -4.789 5.711 264 HG3 PRO 34 3HG PRO 34 8.467 -6.340 5.275 265 HD2 PRO 34 2HD PRO 34 6.045 -5.414 4.297 266 HD3 PRO 34 3HD PRO 34 6.537 -7.119 4.334 267 H PHE 35 H PHE 35 3.828 -4.761 6.825 268 HA PHE 35 HA PHE 35 4.115 -3.000 9.080 269 HB2 PHE 35 2HB PHE 35 4.282 -0.902 7.740 270 HB3 PHE 35 3HB PHE 35 5.723 -1.903 7.666 271 HD1 PHE 35 HD1 PHE 35 6.296 -3.106 5.613 272 HD2 PHE 35 HD2 PHE 35 2.956 -0.471 5.771 273 HE1 PHE 35 HE1 PHE 35 6.247 -3.026 3.158 274 HE2 PHE 35 HE2 PHE 35 2.902 -0.394 3.315 275 HZ PHE 35 HZ PHE 35 4.545 -1.669 2.004 276 HA PRO 36 HA PRO 36 -0.227 -2.757 8.900 277 HB2 PRO 36 2HB PRO 36 -0.777 -0.135 9.540 278 HB3 PRO 36 3HB PRO 36 -0.279 -1.363 10.708 279 HG2 PRO 36 2HG PRO 36 1.380 0.718 9.326 280 HG3 PRO 36 3HG PRO 36 1.398 0.223 11.031 281 HD2 PRO 36 2HD PRO 36 3.259 -0.653 9.308 282 HD3 PRO 36 3HD PRO 36 2.616 -1.712 10.581 283 H THR 37 H THR 37 -1.812 -2.594 7.433 284 HA THR 37 HA THR 37 -1.337 -1.550 4.845 285 HB THR 37 HB THR 37 -3.703 -2.132 4.382 286 HG1 THR 37 HG1 THR 37 -4.561 -3.354 6.454 287 HG21 THR 37 3HG2 THR 37 -1.968 -3.880 4.280 288 HG22 THR 37 1HG2 THR 37 -3.518 -4.535 4.812 289 HG23 THR 37 2HG2 THR 37 -2.235 -4.239 5.986 290 H ASP 38 H ASP 38 -3.260 -0.332 7.565 291 HA ASP 38 HA ASP 38 -4.595 1.756 6.309 292 HB2 ASP 38 2HB ASP 38 -4.620 2.837 8.574 293 HB3 ASP 38 3HB ASP 38 -5.138 1.153 8.575 294 H LYS 39 H LYS 39 -1.337 1.744 7.720 295 HA LYS 39 HA LYS 39 -0.652 4.409 7.328 296 HB2 LYS 39 2HB LYS 39 0.742 2.904 8.619 297 HB3 LYS 39 3HB LYS 39 1.083 1.933 7.193 298 HG2 LYS 39 2HG LYS 39 2.339 3.743 6.201 299 HG3 LYS 39 3HG LYS 39 1.909 4.814 7.535 300 HD2 LYS 39 2HD LYS 39 3.529 2.275 7.812 301 HD3 LYS 39 3HD LYS 39 4.209 3.900 7.709 302 HE2 LYS 39 2HE LYS 39 2.915 4.510 9.747 303 HE3 LYS 39 3HE LYS 39 2.390 2.832 9.873 304 HZ1 LYS 39 3HZ LYS 39 5.192 3.809 10.012 305 HZ2 LYS 39 1HZ LYS 39 4.726 2.184 10.063 306 HZ3 LYS 39 2HZ LYS 39 4.266 3.234 11.305 307 H ILE 40 H ILE 40 -0.526 1.717 5.046 308 HA ILE 40 HA ILE 40 0.837 2.827 2.906 309 HB ILE 40 HB ILE 40 -1.581 1.003 2.820 310 HG12 ILE 40 2HG1 ILE 40 1.378 0.345 2.764 311 HG13 ILE 40 3HG1 ILE 40 0.311 0.117 4.144 312 HG21 ILE 40 1HG2 ILE 40 -0.820 0.329 0.601 313 HG22 ILE 40 2HG2 ILE 40 0.487 1.508 0.684 314 HG23 ILE 40 3HG2 ILE 40 -1.189 2.054 0.646 315 HD11 ILE 40 3HD1 ILE 40 0.718 -1.975 2.989 316 HD12 ILE 40 1HD1 ILE 40 0.089 -1.290 1.491 317 HD13 ILE 40 2HD1 ILE 40 -0.983 -1.520 2.874 318 H VAL 41 H VAL 41 -2.581 3.199 3.760 319 HA VAL 41 HA VAL 41 -3.116 4.793 1.379 320 HB VAL 41 HB VAL 41 -5.008 4.057 3.623 321 HG11 VAL 41 1HG1 VAL 41 -5.560 4.967 0.793 322 HG12 VAL 41 2HG1 VAL 41 -5.791 5.930 2.252 323 HG13 VAL 41 3HG1 VAL 41 -6.774 4.490 1.979 324 HG21 VAL 41 3HG2 VAL 41 -4.116 2.020 2.652 325 HG22 VAL 41 1HG2 VAL 41 -4.457 2.614 1.025 326 HG23 VAL 41 2HG2 VAL 41 -5.784 2.245 2.125 327 H ASN 42 H ASN 42 -2.489 5.339 4.775 328 HA ASN 42 HA ASN 42 -3.721 7.986 4.700 329 HB2 ASN 42 2HB ASN 42 -2.625 6.292 6.926 330 HB3 ASN 42 3HB ASN 42 -2.995 7.998 7.173 331 HD21 ASN 42 1HD2 ASN 42 -4.342 4.869 6.420 332 HD22 ASN 42 2HD2 ASN 42 -5.982 5.280 6.757 333 H LEU 43 H LEU 43 -0.537 6.724 4.280 334 HA LEU 43 HA LEU 43 0.770 9.204 5.036 335 HB2 LEU 43 2HB LEU 43 1.762 6.716 3.652 336 HB3 LEU 43 3HB LEU 43 2.773 8.132 3.871 337 HG LEU 43 HG LEU 43 1.603 6.375 6.032 338 HD11 LEU 43 1HD1 LEU 43 3.949 5.934 6.568 339 HD12 LEU 43 2HD1 LEU 43 4.455 6.956 5.221 340 HD13 LEU 43 3HD1 LEU 43 3.566 5.463 4.913 341 HD21 LEU 43 3HD2 LEU 43 1.505 8.713 6.751 342 HD22 LEU 43 1HD2 LEU 43 3.211 8.916 6.344 343 HD23 LEU 43 2HD2 LEU 43 2.736 7.822 7.643 344 HA PRO 44 HA PRO 44 0.364 11.304 1.085 345 HB2 PRO 44 2HB PRO 44 2.575 12.915 1.256 346 HB3 PRO 44 3HB PRO 44 1.060 13.241 2.106 347 HG2 PRO 44 2HG PRO 44 3.572 11.961 3.129 348 HG3 PRO 44 3HG PRO 44 2.540 13.175 3.907 349 HD2 PRO 44 2HD PRO 44 2.418 10.558 4.560 350 HD3 PRO 44 3HD PRO 44 0.976 11.597 4.577 351 H VAL 45 H VAL 45 1.756 11.725 -0.916 352 HA VAL 45 HA VAL 45 2.578 9.232 -1.849 353 HB VAL 45 HB VAL 45 1.742 10.992 -3.330 354 HG11 VAL 45 1HG1 VAL 45 2.863 12.928 -2.358 355 HG12 VAL 45 2HG1 VAL 45 3.189 12.820 -4.089 356 HG13 VAL 45 3HG1 VAL 45 4.420 12.329 -2.925 357 HG21 VAL 45 3HG2 VAL 45 3.279 10.616 -5.213 358 HG22 VAL 45 1HG2 VAL 45 2.968 9.134 -4.309 359 HG23 VAL 45 2HG2 VAL 45 4.489 9.997 -4.090 360 H ASP 46 H ASP 46 4.608 11.929 -0.712 361 HA ASP 46 HA ASP 46 7.079 10.795 -1.511 362 HB2 ASP 46 2HB ASP 46 6.886 13.168 -1.035 363 HB3 ASP 46 3HB ASP 46 6.481 12.830 0.646 364 H ASP 47 H ASP 47 5.686 11.004 1.800 365 HA ASP 47 HA ASP 47 7.499 9.353 3.099 366 HB2 ASP 47 2HB ASP 47 4.550 9.807 3.598 367 HB3 ASP 47 3HB ASP 47 5.556 8.840 4.676 368 H PHE 48 H PHE 48 4.705 8.468 1.148 369 HA PHE 48 HA PHE 48 4.703 5.690 1.627 370 HB2 PHE 48 2HB PHE 48 2.838 6.805 0.524 371 HB3 PHE 48 3HB PHE 48 3.872 7.278 -0.818 372 HD1 PHE 48 HD2 PHE 48 2.206 4.422 0.822 373 HD2 PHE 48 HD1 PHE 48 4.354 5.775 -2.598 374 HE1 PHE 48 HE2 PHE 48 1.617 2.356 -0.374 375 HE2 PHE 48 HE1 PHE 48 3.762 3.714 -3.793 376 HZ PHE 48 HZ PHE 48 2.392 1.999 -2.679 377 H ASN 49 H ASN 49 6.353 7.620 -0.893 378 HA ASN 49 HA ASN 49 7.599 5.530 -2.272 379 HB2 ASN 49 2HB ASN 49 8.617 8.341 -1.787 380 HB3 ASN 49 3HB ASN 49 9.262 7.232 -2.994 381 HD21 ASN 49 1HD2 ASN 49 8.017 9.855 -3.302 382 HD22 ASN 49 2HD2 ASN 49 6.687 9.617 -4.378 383 H GLU 50 H GLU 50 8.800 7.415 0.505 384 HA GLU 50 HA GLU 50 11.248 5.988 0.767 385 HB2 GLU 50 2HB GLU 50 9.740 7.548 2.883 386 HB3 GLU 50 3HB GLU 50 11.433 7.074 2.957 387 HG2 GLU 50 2HG GLU 50 10.175 9.023 1.030 388 HG3 GLU 50 3HG GLU 50 11.269 9.398 2.358 389 H LEU 51 H LEU 51 8.025 5.517 2.123 390 HA LEU 51 HA LEU 51 8.525 3.554 4.027 391 HB2 LEU 51 2HB LEU 51 6.337 4.639 3.646 392 HB3 LEU 51 3HB LEU 51 6.168 3.752 2.144 393 HG LEU 51 HG LEU 51 6.132 1.627 3.430 394 HD11 LEU 51 1HD1 LEU 51 5.844 1.687 5.850 395 HD12 LEU 51 2HD1 LEU 51 6.084 3.435 5.845 396 HD13 LEU 51 3HD1 LEU 51 7.404 2.363 5.380 397 HD21 LEU 51 3HD2 LEU 51 3.877 1.924 4.364 398 HD22 LEU 51 1HD2 LEU 51 4.038 2.693 2.784 399 HD23 LEU 51 2HD2 LEU 51 4.063 3.674 4.250 400 H LEU 52 H LEU 52 7.792 3.114 0.561 401 HA LEU 52 HA LEU 52 8.103 0.333 0.427 402 HB2 LEU 52 2HB LEU 52 8.769 2.378 -1.702 403 HB3 LEU 52 3HB LEU 52 8.517 0.663 -1.976 404 HG LEU 52 HG LEU 52 6.412 2.606 -0.994 405 HD11 LEU 52 1HD1 LEU 52 6.760 1.286 -3.692 406 HD12 LEU 52 2HD1 LEU 52 7.017 2.993 -3.332 407 HD13 LEU 52 3HD1 LEU 52 5.401 2.300 -3.201 408 HD21 LEU 52 3HD2 LEU 52 6.058 0.343 -0.128 409 HD22 LEU 52 1HD2 LEU 52 6.192 -0.313 -1.760 410 HD23 LEU 52 2HD2 LEU 52 4.844 0.747 -1.340 411 H ALA 53 H ALA 53 10.507 2.894 0.308 412 HA ALA 53 HA ALA 53 12.687 1.200 -0.480 413 HB1 ALA 53 3HB ALA 53 14.076 3.170 -0.119 414 HB2 ALA 53 1HB ALA 53 12.725 3.991 0.669 415 HB3 ALA 53 2HB ALA 53 12.631 3.580 -1.042 416 H ARG 54 H ARG 54 11.265 2.079 2.569 417 HA ARG 54 HA ARG 54 13.628 1.428 4.128 418 HB2 ARG 54 2HB ARG 54 10.828 2.247 4.881 419 HB3 ARG 54 3HB ARG 54 12.039 1.810 6.079 420 HG2 ARG 54 2HG ARG 54 13.480 3.622 5.305 421 HG3 ARG 54 3HG ARG 54 12.287 4.054 4.078 422 HD2 ARG 54 2HD ARG 54 10.675 4.628 5.785 423 HD3 ARG 54 3HD ARG 54 11.763 4.058 7.052 424 HE ARG 54 HE ARG 54 13.247 5.943 5.883 425 HH11 ARG 54 1HH1 ARG 54 9.974 6.008 6.951 426 HH12 ARG 54 2HH1 ARG 54 10.011 7.698 7.299 427 HH21 ARG 54 1HH2 ARG 54 13.282 8.105 6.359 428 HH22 ARG 54 2HH2 ARG 54 11.858 8.868 6.974 429 H TYR 55 H TYR 55 11.352 -0.484 2.658 430 HA TYR 55 HA TYR 55 11.707 -2.608 4.684 431 HB2 TYR 55 2HB TYR 55 9.236 -1.884 3.113 432 HB3 TYR 55 3HB TYR 55 9.444 -3.485 3.817 433 HD1 TYR 55 HD1 TYR 55 9.423 -3.801 6.233 434 HD2 TYR 55 HD2 TYR 55 8.858 0.070 4.546 435 HE1 TYR 55 HE1 TYR 55 8.608 -2.981 8.397 436 HE2 TYR 55 HE2 TYR 55 8.038 0.896 6.714 437 HH TYR 55 HH TYR 55 8.399 -0.854 9.603 438 HA PRO 56 HA PRO 56 13.419 -5.095 1.441 439 HB2 PRO 56 2HB PRO 56 12.605 -7.524 2.842 440 HB3 PRO 56 3HB PRO 56 14.215 -6.822 2.695 441 HG2 PRO 56 2HG PRO 56 12.848 -6.894 5.040 442 HG3 PRO 56 3HG PRO 56 14.011 -5.616 4.642 443 HD2 PRO 56 2HD PRO 56 11.012 -5.564 4.484 444 HD3 PRO 56 3HD PRO 56 12.133 -4.325 5.095 445 H LEU 57 H LEU 57 10.770 -4.284 0.790 446 HA LEU 57 HA LEU 57 9.062 -6.487 0.208 447 HB2 LEU 57 2HB LEU 57 9.101 -3.701 -0.968 448 HB3 LEU 57 3HB LEU 57 7.791 -4.854 -1.135 449 HG LEU 57 HG LEU 57 8.709 -3.634 1.479 450 HD11 LEU 57 1HD1 LEU 57 6.599 -2.386 1.394 451 HD12 LEU 57 2HD1 LEU 57 6.273 -3.047 -0.209 452 HD13 LEU 57 3HD1 LEU 57 7.654 -1.978 0.042 453 HD21 LEU 57 3HD2 LEU 57 6.676 -4.641 2.407 454 HD22 LEU 57 1HD2 LEU 57 7.776 -5.868 1.778 455 HD23 LEU 57 2HD2 LEU 57 6.345 -5.410 0.854 456 H THR 58 H THR 58 8.933 -7.780 -1.557 457 HA THR 58 HA THR 58 10.875 -7.683 -3.658 458 HB THR 58 HB THR 58 9.706 -9.518 -4.675 459 HG1 THR 58 HG1 THR 58 7.584 -10.132 -3.726 460 HG21 THR 58 3HG2 THR 58 9.473 -11.105 -2.818 461 HG22 THR 58 1HG2 THR 58 9.445 -9.765 -1.670 462 HG23 THR 58 2HG2 THR 58 10.900 -10.091 -2.613 463 H GLU 59 H GLU 59 10.380 -7.348 -5.964 464 HA GLU 59 HA GLU 59 9.179 -4.948 -6.596 465 HB2 GLU 59 2HB GLU 59 9.460 -7.387 -8.368 466 HB3 GLU 59 3HB GLU 59 9.131 -5.758 -8.946 467 HG2 GLU 59 2HG GLU 59 11.275 -4.991 -8.151 468 HG3 GLU 59 3HG GLU 59 11.605 -6.559 -7.414 469 H SER 60 H SER 60 7.692 -8.156 -6.564 470 HA SER 60 HA SER 60 5.134 -7.398 -7.515 471 HB2 SER 60 2HB SER 60 5.839 -9.748 -7.449 472 HB3 SER 60 3HB SER 60 5.902 -9.698 -5.688 473 HG SER 60 HG SER 60 3.951 -10.616 -6.475 474 H GLN 61 H GLN 61 6.521 -7.493 -4.241 475 HA GLN 61 HA GLN 61 4.096 -6.955 -2.876 476 HB2 GLN 61 2HB GLN 61 6.964 -6.506 -2.042 477 HB3 GLN 61 3HB GLN 61 5.589 -6.251 -0.974 478 HG2 GLN 61 2HG GLN 61 4.956 -8.634 -1.310 479 HG3 GLN 61 3HG GLN 61 6.437 -8.851 -2.241 480 HE21 GLN 61 1HE2 GLN 61 5.094 -8.359 0.912 481 HE22 GLN 61 2HE2 GLN 61 6.524 -8.724 1.799 482 H LEU 62 H LEU 62 6.661 -4.731 -4.066 483 HA LEU 62 HA LEU 62 5.543 -2.347 -3.097 484 HB2 LEU 62 2HB LEU 62 7.149 -2.878 -5.597 485 HB3 LEU 62 3HB LEU 62 6.588 -1.272 -5.181 486 HG LEU 62 HG LEU 62 7.836 -1.647 -2.933 487 HD11 LEU 62 1HD1 LEU 62 9.763 -3.125 -3.065 488 HD12 LEU 62 2HD1 LEU 62 9.221 -3.705 -4.641 489 HD13 LEU 62 3HD1 LEU 62 8.252 -4.025 -3.204 490 HD21 LEU 62 3HD2 LEU 62 9.933 -0.827 -3.918 491 HD22 LEU 62 1HD2 LEU 62 8.519 -0.010 -4.584 492 HD23 LEU 62 2HD2 LEU 62 9.341 -1.259 -5.521 493 H ALA 63 H ALA 63 4.840 -4.140 -6.069 494 HA ALA 63 HA ALA 63 2.931 -2.392 -7.157 495 HB1 ALA 63 3HB ALA 63 3.920 -4.252 -8.410 496 HB2 ALA 63 1HB ALA 63 2.158 -4.302 -8.456 497 HB3 ALA 63 2HB ALA 63 3.043 -5.400 -7.397 498 H LEU 64 H LEU 64 2.541 -5.120 -4.897 499 HA LEU 64 HA LEU 64 -0.266 -5.020 -4.668 500 HB2 LEU 64 2HB LEU 64 1.042 -6.926 -3.865 501 HB3 LEU 64 3HB LEU 64 1.793 -5.918 -2.640 502 HG LEU 64 HG LEU 64 -0.455 -5.593 -1.595 503 HD11 LEU 64 1HD1 LEU 64 -1.330 -7.680 -3.592 504 HD12 LEU 64 2HD1 LEU 64 -1.854 -5.996 -3.532 505 HD13 LEU 64 3HD1 LEU 64 -2.280 -7.097 -2.224 506 HD21 LEU 64 3HD2 LEU 64 1.089 -7.255 -0.724 507 HD22 LEU 64 1HD2 LEU 64 0.467 -8.454 -1.860 508 HD23 LEU 64 2HD2 LEU 64 -0.577 -7.818 -0.587 509 H VAL 65 H VAL 65 2.244 -3.548 -2.589 510 HA VAL 65 HA VAL 65 0.576 -2.234 -0.783 511 HB VAL 65 HB VAL 65 3.282 -1.326 -1.812 512 HG11 VAL 65 1HG1 VAL 65 1.820 -0.535 0.716 513 HG12 VAL 65 2HG1 VAL 65 2.094 0.494 -0.688 514 HG13 VAL 65 3HG1 VAL 65 3.463 -0.055 0.277 515 HG21 VAL 65 3HG2 VAL 65 4.196 -2.460 0.155 516 HG22 VAL 65 1HG2 VAL 65 3.310 -3.594 -0.865 517 HG23 VAL 65 2HG2 VAL 65 2.577 -2.986 0.619 518 H ARG 66 H ARG 66 1.904 -1.044 -3.871 519 HA ARG 66 HA ARG 66 0.649 1.476 -3.868 520 HB2 ARG 66 2HB ARG 66 1.604 -0.302 -6.116 521 HB3 ARG 66 3HB ARG 66 0.933 1.301 -6.400 522 HG2 ARG 66 2HG ARG 66 2.700 2.320 -5.097 523 HG3 ARG 66 3HG ARG 66 3.340 0.732 -4.667 524 HD2 ARG 66 2HD ARG 66 3.987 0.299 -6.926 525 HD3 ARG 66 3HD ARG 66 3.116 1.716 -7.512 526 HE ARG 66 HE ARG 66 4.787 3.014 -6.116 527 HH11 ARG 66 1HH1 ARG 66 5.566 -0.014 -7.567 528 HH12 ARG 66 2HH1 ARG 66 7.245 0.367 -7.709 529 HH21 ARG 66 1HH2 ARG 66 6.925 3.485 -6.310 530 HH22 ARG 66 2HH2 ARG 66 8.009 2.330 -7.005 531 H ASP 67 H ASP 67 -0.495 -1.692 -4.954 532 HA ASP 67 HA ASP 67 -2.885 -0.783 -6.179 533 HB2 ASP 67 2HB ASP 67 -1.842 -3.022 -6.570 534 HB3 ASP 67 3HB ASP 67 -2.353 -3.500 -4.953 535 H ILE 68 H ILE 68 -2.215 -2.052 -2.907 536 HA ILE 68 HA ILE 68 -4.778 -1.971 -1.834 537 HB ILE 68 HB ILE 68 -2.148 -1.369 -0.447 538 HG12 ILE 68 2HG1 ILE 68 -3.759 -3.936 -0.638 539 HG13 ILE 68 3HG1 ILE 68 -2.265 -3.600 -1.505 540 HG21 ILE 68 1HG2 ILE 68 -4.025 -0.504 0.860 541 HG22 ILE 68 2HG2 ILE 68 -3.299 -1.903 1.650 542 HG23 ILE 68 3HG2 ILE 68 -4.823 -2.075 0.777 543 HD11 ILE 68 3HD1 ILE 68 -2.581 -3.853 1.477 544 HD12 ILE 68 1HD1 ILE 68 -1.078 -3.457 0.640 545 HD13 ILE 68 2HD1 ILE 68 -1.843 -5.026 0.386 546 H ARG 69 H ARG 69 -2.322 0.617 -1.842 547 HA ARG 69 HA ARG 69 -3.913 2.660 -0.741 548 HB2 ARG 69 2HB ARG 69 -1.452 2.797 -1.027 549 HB3 ARG 69 3HB ARG 69 -1.672 2.917 -2.766 550 HG2 ARG 69 2HG ARG 69 -2.927 5.020 -2.433 551 HG3 ARG 69 3HG ARG 69 -2.607 4.908 -0.702 552 HD2 ARG 69 2HD ARG 69 -1.019 6.419 -1.700 553 HD3 ARG 69 3HD ARG 69 -0.178 4.955 -1.189 554 HE ARG 69 HE ARG 69 -0.845 4.563 -3.838 555 HH11 ARG 69 1HH1 ARG 69 0.995 6.885 -2.076 556 HH12 ARG 69 2HH1 ARG 69 2.111 7.134 -3.374 557 HH21 ARG 69 1HH2 ARG 69 0.574 4.917 -5.495 558 HH22 ARG 69 2HH2 ARG 69 1.865 6.050 -5.294 559 H ARG 70 H ARG 70 -3.475 1.567 -4.061 560 HA ARG 70 HA ARG 70 -4.841 3.604 -5.423 561 HB2 ARG 70 2HB ARG 70 -3.343 1.765 -6.347 562 HB3 ARG 70 3HB ARG 70 -4.731 0.696 -6.233 563 HG2 ARG 70 2HG ARG 70 -5.964 2.179 -7.785 564 HG3 ARG 70 3HG ARG 70 -4.516 3.178 -7.937 565 HD2 ARG 70 2HD ARG 70 -3.299 1.090 -8.696 566 HD3 ARG 70 3HD ARG 70 -4.874 0.300 -8.777 567 HE ARG 70 HE ARG 70 -4.416 2.759 -10.310 568 HH11 ARG 70 1HH1 ARG 70 -5.019 -0.635 -10.251 569 HH12 ARG 70 2HH1 ARG 70 -5.330 -0.715 -11.948 570 HH21 ARG 70 1HH2 ARG 70 -4.787 2.636 -12.474 571 HH22 ARG 70 2HH2 ARG 70 -5.188 1.116 -13.197 572 H ARG 71 H ARG 71 -6.026 0.500 -4.119 573 HA ARG 71 HA ARG 71 -8.704 0.755 -5.010 574 HB2 ARG 71 2HB ARG 71 -7.739 -0.756 -2.567 575 HB3 ARG 71 3HB ARG 71 -9.232 -1.036 -3.453 576 HG2 ARG 71 2HG ARG 71 -6.451 -1.462 -4.533 577 HG3 ARG 71 3HG ARG 71 -7.522 -2.727 -3.936 578 HD2 ARG 71 2HD ARG 71 -9.053 -2.402 -5.724 579 HD3 ARG 71 3HD ARG 71 -8.277 -0.891 -6.207 580 HE ARG 71 HE ARG 71 -6.417 -3.003 -6.362 581 HH11 ARG 71 1HH1 ARG 71 -9.264 -1.900 -7.968 582 HH12 ARG 71 2HH1 ARG 71 -8.722 -2.428 -9.517 583 HH21 ARG 71 1HH2 ARG 71 -5.756 -3.708 -8.328 584 HH22 ARG 71 2HH2 ARG 71 -6.768 -3.491 -9.718 585 H GLY 72 H GLY 72 -7.155 1.544 -1.901 586 HA2 GLY 72 2HA GLY 72 -9.454 2.451 -0.561 587 HA3 GLY 72 3HA GLY 72 -7.804 2.893 -0.163 588 H LYS 73 H LYS 73 -7.138 4.242 -2.589 589 HA LYS 73 HA LYS 73 -8.511 6.750 -2.075 590 HB2 LYS 73 2HB LYS 73 -6.126 6.038 -3.773 591 HB3 LYS 73 3HB LYS 73 -6.817 7.656 -3.744 592 HG2 LYS 73 2HG LYS 73 -6.393 7.767 -1.312 593 HG3 LYS 73 3HG LYS 73 -5.647 6.168 -1.390 594 HD2 LYS 73 2HD LYS 73 -3.923 7.008 -2.884 595 HD3 LYS 73 3HD LYS 73 -4.693 8.595 -2.927 596 HE2 LYS 73 2HE LYS 73 -3.579 7.280 -0.447 597 HE3 LYS 73 3HE LYS 73 -2.732 8.487 -1.410 598 HZ1 LYS 73 3HZ LYS 73 -3.801 9.476 0.508 599 HZ2 LYS 73 1HZ LYS 73 -5.311 8.908 0.007 600 HZ3 LYS 73 2HZ LYS 73 -4.492 10.070 -0.913 601 H ASN 74 H ASN 74 -8.818 4.220 -4.366 602 HA ASN 74 HA ASN 74 -9.688 5.604 -6.644 603 HB2 ASN 74 2HB ASN 74 -9.235 3.126 -6.501 604 HB3 ASN 74 3HB ASN 74 -10.789 2.942 -5.691 605 HD21 ASN 74 1HD2 ASN 74 -11.717 1.721 -7.290 606 HD22 ASN 74 2HD2 ASN 74 -12.095 2.336 -8.857 607 H LYS 75 H LYS 75 -11.377 4.808 -3.668 608 HA LYS 75 HA LYS 75 -13.987 5.530 -4.437 609 HB2 LYS 75 2HB LYS 75 -13.565 4.315 -2.382 610 HB3 LYS 75 3HB LYS 75 -12.636 5.657 -1.727 611 HG2 LYS 75 2HG LYS 75 -14.565 6.987 -1.439 612 HG3 LYS 75 3HG LYS 75 -15.540 5.937 -2.468 613 HD2 LYS 75 2HD LYS 75 -16.060 5.641 -0.076 614 HD3 LYS 75 3HD LYS 75 -15.450 4.161 -0.815 615 HE2 LYS 75 2HE LYS 75 -14.458 4.461 1.373 616 HE3 LYS 75 3HE LYS 75 -13.221 4.633 0.131 617 HZ1 LYS 75 3HZ LYS 75 -13.054 6.316 1.878 618 HZ2 LYS 75 1HZ LYS 75 -14.589 6.896 1.479 619 HZ3 LYS 75 2HZ LYS 75 -13.324 7.013 0.363 620 H VAL 76 H VAL 76 -11.299 7.466 -3.170 621 HA VAL 76 HA VAL 76 -12.645 9.966 -3.182 622 HB VAL 76 HB VAL 76 -9.679 9.438 -3.542 623 HG11 VAL 76 1HG1 VAL 76 -9.382 11.727 -2.683 624 HG12 VAL 76 2HG1 VAL 76 -11.132 11.943 -2.675 625 HG13 VAL 76 3HG1 VAL 76 -10.282 11.707 -4.201 626 HG21 VAL 76 3HG2 VAL 76 -9.494 9.803 -1.134 627 HG22 VAL 76 1HG2 VAL 76 -10.538 8.425 -1.490 628 HG23 VAL 76 2HG2 VAL 76 -11.245 9.970 -1.014 629 H ALA 77 H ALA 77 -10.662 8.278 -5.599 630 HA ALA 77 HA ALA 77 -10.633 10.205 -7.612 631 HB1 ALA 77 3HB ALA 77 -9.279 8.157 -7.652 632 HB2 ALA 77 1HB ALA 77 -10.179 8.373 -9.154 633 HB3 ALA 77 2HB ALA 77 -10.734 7.207 -7.952 634 H ALA 78 H ALA 78 -13.146 7.896 -6.736 635 HA ALA 78 HA ALA 78 -14.874 8.401 -8.942 636 HB1 ALA 78 3HB ALA 78 -15.070 6.392 -7.554 637 HB2 ALA 78 1HB ALA 78 -16.590 7.287 -7.595 638 HB3 ALA 78 2HB ALA 78 -15.545 7.383 -6.175 639 H GLN 79 H GLN 79 -14.512 9.870 -5.746 640 HA GLN 79 HA GLN 79 -16.816 11.530 -5.885 641 HB2 GLN 79 2HB GLN 79 -14.309 11.709 -4.208 642 HB3 GLN 79 3HB GLN 79 -15.667 12.814 -4.034 643 HG2 GLN 79 2HG GLN 79 -15.756 9.824 -3.647 644 HG3 GLN 79 3HG GLN 79 -15.741 11.036 -2.367 645 HE21 GLN 79 1HE2 GLN 79 -17.730 9.006 -2.911 646 HE22 GLN 79 2HE2 GLN 79 -19.220 9.840 -3.170 647 H ASN 80 H ASN 80 -13.431 12.040 -6.824 648 HA ASN 80 HA ASN 80 -14.206 14.655 -7.952 649 HB2 ASN 80 2HB ASN 80 -11.768 15.098 -8.128 650 HB3 ASN 80 3HB ASN 80 -12.293 14.791 -6.477 651 HD21 ASN 80 1HD2 ASN 80 -10.286 14.178 -5.776 652 HD22 ASN 80 2HD2 ASN 80 -9.535 12.702 -6.256 653 H TYR 81 H TYR 81 -14.933 12.102 -9.127 654 HA TYR 81 HA TYR 81 -13.326 11.389 -11.326 655 HB2 TYR 81 2HB TYR 81 -15.216 10.057 -10.307 656 HB3 TYR 81 3HB TYR 81 -16.338 11.132 -11.130 657 HD1 TYR 81 HD1 TYR 81 -13.368 8.986 -11.934 658 HD2 TYR 81 HD2 TYR 81 -17.198 10.400 -13.155 659 HE1 TYR 81 HE1 TYR 81 -13.281 7.510 -13.897 660 HE2 TYR 81 HE2 TYR 81 -17.115 8.928 -15.126 661 HH TYR 81 HH TYR 81 -14.835 6.426 -15.458 662 H ARG 82 H ARG 82 -13.047 12.249 -13.283 663 HA ARG 82 HA ARG 82 -13.178 13.598 -15.096 664 HB2 ARG 82 2HB ARG 82 -16.038 14.063 -14.232 665 HB3 ARG 82 3HB ARG 82 -15.355 14.547 -15.779 666 HG2 ARG 82 2HG ARG 82 -14.952 12.217 -16.358 667 HG3 ARG 82 3HG ARG 82 -15.570 11.708 -14.787 668 HD2 ARG 82 2HD ARG 82 -17.129 13.138 -16.942 669 HD3 ARG 82 3HD ARG 82 -17.265 11.433 -16.513 670 HE ARG 82 HE ARG 82 -17.800 12.753 -14.184 671 HH11 ARG 82 1HH1 ARG 82 -19.078 12.914 -17.384 672 HH12 ARG 82 2HH1 ARG 82 -20.674 13.309 -16.838 673 HH21 ARG 82 1HH2 ARG 82 -19.846 13.308 -13.506 674 HH22 ARG 82 2HH2 ARG 82 -21.101 13.540 -14.682 675 H LYS 83 H LYS 83 -11.722 14.729 -13.449 676 HA LYS 83 HA LYS 83 -12.414 17.181 -12.251 677 HB2 LYS 83 2HB LYS 83 -9.969 17.634 -12.340 678 HB3 LYS 83 3HB LYS 83 -10.329 16.011 -11.757 679 HG2 LYS 83 2HG LYS 83 -9.925 15.176 -14.089 680 HG3 LYS 83 3HG LYS 83 -9.354 16.793 -14.501 681 HD2 LYS 83 2HD LYS 83 -7.576 16.606 -12.836 682 HD3 LYS 83 3HD LYS 83 -8.174 15.016 -12.355 683 HE2 LYS 83 2HE LYS 83 -7.744 14.191 -14.644 684 HE3 LYS 83 3HE LYS 83 -7.080 15.768 -15.071 685 HZ1 LYS 83 3HZ LYS 83 -6.004 13.924 -13.007 686 HZ2 LYS 83 1HZ LYS 83 -5.374 15.449 -13.377 687 HZ3 LYS 83 2HZ LYS 83 -5.328 14.215 -14.529 688 H ARG 84 H ARG 84 -11.578 19.387 -13.019 689 HA ARG 84 HA ARG 84 -12.593 19.985 -15.596 690 HB2 ARG 84 2HB ARG 84 -11.570 22.257 -15.240 691 HB3 ARG 84 3HB ARG 84 -12.691 21.726 -13.997 692 HG2 ARG 84 2HG ARG 84 -10.884 21.245 -12.488 693 HG3 ARG 84 3HG ARG 84 -9.687 21.568 -13.746 694 HD2 ARG 84 2HD ARG 84 -10.131 23.427 -12.033 695 HD3 ARG 84 3HD ARG 84 -10.134 23.875 -13.740 696 HE ARG 84 HE ARG 84 -12.491 24.068 -13.660 697 HH11 ARG 84 1HH1 ARG 84 -11.089 23.457 -10.569 698 HH12 ARG 84 2HH1 ARG 84 -12.520 23.921 -9.719 699 HH21 ARG 84 1HH2 ARG 84 -14.313 24.668 -12.544 700 HH22 ARG 84 2HH2 ARG 84 -14.306 24.628 -10.814 701 H LYS 85 H LYS 85 -11.705 19.270 -17.380 702 HA LYS 85 HA LYS 85 -8.886 18.737 -17.628 703 HB2 LYS 85 2HB LYS 85 -9.523 18.009 -19.950 704 HB3 LYS 85 3HB LYS 85 -10.374 17.184 -18.651 705 HG2 LYS 85 2HG LYS 85 -12.210 18.998 -19.075 706 HG3 LYS 85 3HG LYS 85 -11.408 19.171 -20.638 707 HD2 LYS 85 2HD LYS 85 -12.436 16.557 -19.515 708 HD3 LYS 85 3HD LYS 85 -13.328 17.574 -20.645 709 HE2 LYS 85 2HE LYS 85 -10.598 16.420 -21.216 710 HE3 LYS 85 3HE LYS 85 -12.111 15.647 -21.688 711 HZ1 LYS 85 3HZ LYS 85 -11.192 18.330 -22.554 712 HZ2 LYS 85 1HZ LYS 85 -12.660 17.611 -22.987 713 HZ3 LYS 85 2HZ LYS 85 -11.202 16.932 -23.503 714 H LEU 86 H LEU 86 -7.368 19.781 -18.859 715 HA LEU 86 HA LEU 86 -7.985 22.558 -19.536 716 HB2 LEU 86 2HB LEU 86 -5.313 21.145 -19.366 717 HB3 LEU 86 3HB LEU 86 -5.550 22.868 -19.600 718 HG LEU 86 HG LEU 86 -6.299 21.293 -17.124 719 HD11 LEU 86 1HD1 LEU 86 -4.531 22.580 -16.031 720 HD12 LEU 86 2HD1 LEU 86 -4.124 23.342 -17.569 721 HD13 LEU 86 3HD1 LEU 86 -3.890 21.608 -17.356 722 HD21 LEU 86 3HD2 LEU 86 -6.851 23.464 -16.136 723 HD22 LEU 86 1HD2 LEU 86 -7.878 23.110 -17.525 724 HD23 LEU 86 2HD2 LEU 86 -6.544 24.254 -17.683 725 H GLU 87 H GLU 87 -8.770 22.772 -21.552 726 HA GLU 87 HA GLU 87 -7.840 21.135 -23.753 727 HB2 GLU 87 2HB GLU 87 -9.752 23.484 -23.755 728 HB3 GLU 87 3HB GLU 87 -9.510 22.348 -25.075 729 HG2 GLU 87 2HG GLU 87 -10.627 21.686 -22.352 730 HG3 GLU 87 3HG GLU 87 -11.558 21.876 -23.837 731 H THR 88 H THR 88 -6.375 21.691 -25.280 732 HA THR 88 HA THR 88 -4.945 24.216 -25.039 733 HB THR 88 HB THR 88 -4.479 21.909 -26.957 734 HG1 THR 88 HG1 THR 88 -2.656 22.450 -24.932 735 HG21 THR 88 3HG2 THR 88 -2.290 22.927 -27.356 736 HG22 THR 88 1HG2 THR 88 -2.699 24.268 -26.284 737 HG23 THR 88 2HG2 THR 88 -3.576 24.049 -27.797 738 H ILE 89 H ILE 89 -5.282 25.974 -26.290 739 HA ILE 89 HA ILE 89 -7.407 26.099 -28.161 740 HB ILE 89 HB ILE 89 -5.132 28.048 -27.722 741 HG12 ILE 89 2HG1 ILE 89 -6.507 27.677 -25.719 742 HG13 ILE 89 3HG1 ILE 89 -6.761 29.293 -26.364 743 HG21 ILE 89 1HG2 ILE 89 -7.737 28.412 -29.209 744 HG22 ILE 89 2HG2 ILE 89 -6.115 28.428 -29.904 745 HG23 ILE 89 3HG2 ILE 89 -6.614 29.709 -28.799 746 HD11 ILE 89 3HD1 ILE 89 -8.850 28.327 -25.645 747 HD12 ILE 89 1HD1 ILE 89 -8.600 26.935 -26.699 748 HD13 ILE 89 2HD1 ILE 89 -8.850 28.537 -27.396 749 H VAL 90 H VAL 90 -7.306 24.881 -29.932 750 HA VAL 90 HA VAL 90 -4.811 24.701 -31.482 751 HB VAL 90 HB VAL 90 -5.784 22.586 -30.680 752 HG11 VAL 90 1HG1 VAL 90 -7.911 21.762 -31.589 753 HG12 VAL 90 2HG1 VAL 90 -8.166 23.314 -32.390 754 HG13 VAL 90 3HG1 VAL 90 -8.127 23.227 -30.628 755 HG21 VAL 90 3HG2 VAL 90 -5.964 22.870 -33.685 756 HG22 VAL 90 1HG2 VAL 90 -5.773 21.360 -32.795 757 HG23 VAL 90 2HG2 VAL 90 -4.493 22.571 -32.760 758 H GLN 91 H GLN 91 -4.923 24.738 -33.824 759 HA GLN 91 HA GLN 91 -6.649 26.745 -34.899 760 HB2 GLN 91 2HB GLN 91 -5.537 26.110 -37.088 761 HB3 GLN 91 3HB GLN 91 -4.467 26.652 -35.803 762 HG2 GLN 91 2HG GLN 91 -3.834 24.357 -35.319 763 HG3 GLN 91 3HG GLN 91 -4.962 23.769 -36.539 764 HE21 GLN 91 1HE2 GLN 91 -4.469 24.071 -38.725 765 HE22 GLN 91 2HE2 GLN 91 -2.863 24.430 -39.251 Start of MODEL 8 1 H1 MET 1 1H MET 1 -13.663 -22.909 -1.458 2 H2 MET 1 2H MET 1 -13.270 -21.309 -1.069 3 H3 MET 1 3H MET 1 -12.226 -22.567 -0.636 4 HA MET 1 HA MET 1 -11.777 -23.062 -2.936 5 HB2 MET 1 2HB MET 1 -13.579 -20.684 -3.461 6 HB3 MET 1 3HB MET 1 -12.576 -21.462 -4.677 7 HG2 MET 1 2HG MET 1 -13.822 -23.554 -4.346 8 HG3 MET 1 3HG MET 1 -14.841 -22.740 -3.160 9 HE1 MET 1 3HE MET 1 -14.737 -21.691 -7.657 10 HE2 MET 1 1HE MET 1 -13.825 -23.018 -6.936 11 HE3 MET 1 2HE MET 1 -13.397 -21.347 -6.563 12 H GLY 2 H GLY 2 -9.844 -22.287 -3.701 13 HA2 GLY 2 2HA GLY 2 -8.971 -19.599 -3.412 14 HA3 GLY 2 3HA GLY 2 -8.340 -20.571 -2.093 15 H HIS 3 H HIS 3 -8.354 -20.161 -5.600 16 HA HIS 3 HA HIS 3 -6.165 -22.007 -5.990 17 HB2 HIS 3 2HB HIS 3 -6.178 -21.269 -8.322 18 HB3 HIS 3 3HB HIS 3 -7.815 -21.619 -7.790 19 HD1 HIS 3 HD1 HIS 3 -5.656 -18.895 -9.064 20 HD2 HIS 3 HD2 HIS 3 -9.492 -19.330 -7.530 21 HE1 HIS 3 HE1 HIS 3 -6.849 -16.753 -9.614 22 HE2 HIS 3 HE2 HIS 3 -9.196 -17.090 -8.781 23 H HIS 4 H HIS 4 -4.064 -21.575 -5.636 24 HA HIS 4 HA HIS 4 -2.971 -18.905 -5.966 25 HB2 HIS 4 2HB HIS 4 -2.152 -18.741 -3.639 26 HB3 HIS 4 3HB HIS 4 -3.909 -18.728 -3.722 27 HD1 HIS 4 HD1 HIS 4 -5.161 -20.745 -2.701 28 HD2 HIS 4 HD2 HIS 4 -1.027 -20.980 -2.367 29 HE1 HIS 4 HE1 HIS 4 -4.722 -22.626 -1.099 30 HE2 HIS 4 HE2 HIS 4 -2.218 -22.842 -1.024 31 H HIS 5 H HIS 5 -0.692 -18.852 -6.044 32 HA HIS 5 HA HIS 5 0.854 -21.211 -5.393 33 HB2 HIS 5 2HB HIS 5 0.459 -20.333 -8.247 34 HB3 HIS 5 3HB HIS 5 1.939 -21.149 -7.754 35 HD1 HIS 5 HD1 HIS 5 -1.346 -21.840 -9.021 36 HD2 HIS 5 HD2 HIS 5 1.314 -23.781 -6.487 37 HE1 HIS 5 HE1 HIS 5 -2.089 -24.236 -8.971 38 HE2 HIS 5 HE2 HIS 5 -0.451 -25.400 -7.460 39 H HIS 6 H HIS 6 2.655 -20.552 -4.451 40 HA HIS 6 HA HIS 6 4.228 -18.387 -5.609 41 HB2 HIS 6 2HB HIS 6 3.094 -18.306 -2.819 42 HB3 HIS 6 3HB HIS 6 4.621 -17.509 -3.179 43 HD1 HIS 6 HD1 HIS 6 1.407 -16.491 -2.632 44 HD2 HIS 6 HD2 HIS 6 3.957 -15.907 -5.865 45 HE1 HIS 6 HE1 HIS 6 0.583 -14.416 -3.776 46 HE2 HIS 6 HE2 HIS 6 2.037 -14.176 -5.811 47 H HIS 7 H HIS 7 5.892 -19.753 -6.134 48 HA HIS 7 HA HIS 7 7.058 -21.454 -4.071 49 HB2 HIS 7 2HB HIS 7 7.554 -21.133 -7.019 50 HB3 HIS 7 3HB HIS 7 8.692 -22.013 -5.999 51 HD1 HIS 7 HD1 HIS 7 7.975 -24.295 -5.114 52 HD2 HIS 7 HD2 HIS 7 5.055 -22.421 -7.397 53 HE1 HIS 7 HE1 HIS 7 6.252 -26.054 -5.569 54 HE2 HIS 7 HE2 HIS 7 4.623 -24.961 -7.136 55 H HIS 8 H HIS 8 7.644 -18.346 -5.521 56 HA HIS 8 HA HIS 8 10.357 -18.116 -4.615 57 HB2 HIS 8 2HB HIS 8 9.483 -16.727 -6.472 58 HB3 HIS 8 3HB HIS 8 8.398 -15.919 -5.345 59 HD1 HIS 8 HD1 HIS 8 9.328 -13.957 -4.074 60 HD2 HIS 8 HD2 HIS 8 12.286 -16.160 -5.982 61 HE1 HIS 8 HE1 HIS 8 11.436 -12.628 -3.803 62 HE2 HIS 8 HE2 HIS 8 13.240 -14.094 -4.758 63 H SER 9 H SER 9 10.612 -18.481 -2.485 64 HA SER 9 HA SER 9 8.711 -17.695 -0.503 65 HB2 SER 9 2HB SER 9 10.379 -18.556 1.121 66 HB3 SER 9 3HB SER 9 10.051 -19.697 -0.181 67 HG SER 9 HG SER 9 12.350 -19.233 0.459 68 H HIS 10 H HIS 10 9.151 -16.362 1.368 69 HA HIS 10 HA HIS 10 10.461 -13.862 0.656 70 HB2 HIS 10 2HB HIS 10 8.768 -14.696 3.020 71 HB3 HIS 10 3HB HIS 10 9.511 -13.105 2.884 72 HD1 HIS 10 HD1 HIS 10 7.218 -15.279 0.740 73 HD2 HIS 10 HD2 HIS 10 7.830 -11.308 1.780 74 HE1 HIS 10 HE1 HIS 10 5.388 -13.999 -0.399 75 HE2 HIS 10 HE2 HIS 10 5.657 -11.640 0.433 76 H MET 11 H MET 11 12.617 -13.776 0.958 77 HA MET 11 HA MET 11 14.192 -15.284 2.663 78 HB2 MET 11 2HB MET 11 15.913 -13.526 2.386 79 HB3 MET 11 3HB MET 11 15.149 -13.966 0.866 80 HG2 MET 11 2HG MET 11 13.735 -11.958 1.007 81 HG3 MET 11 3HG MET 11 14.538 -11.515 2.511 82 HE1 MET 11 3HE MET 11 16.673 -11.683 -1.581 83 HE2 MET 11 1HE MET 11 14.958 -12.034 -1.361 84 HE3 MET 11 2HE MET 11 16.175 -13.125 -0.697 85 H ALA 12 H ALA 12 12.341 -12.406 3.392 86 HA ALA 12 HA ALA 12 13.164 -12.613 6.223 87 HB1 ALA 12 3HB ALA 12 13.941 -10.515 5.199 88 HB2 ALA 12 1HB ALA 12 12.752 -10.225 6.467 89 HB3 ALA 12 2HB ALA 12 12.280 -10.111 4.770 90 H LYS 13 H LYS 13 11.569 -12.803 7.731 91 HA LYS 13 HA LYS 13 8.800 -12.964 6.723 92 HB2 LYS 13 2HB LYS 13 10.151 -14.409 9.008 93 HB3 LYS 13 3HB LYS 13 8.410 -14.400 8.790 94 HG2 LYS 13 2HG LYS 13 9.180 -16.432 7.875 95 HG3 LYS 13 3HG LYS 13 8.791 -15.394 6.505 96 HD2 LYS 13 2HD LYS 13 10.876 -16.578 6.107 97 HD3 LYS 13 3HD LYS 13 11.179 -14.847 6.253 98 HE2 LYS 13 2HE LYS 13 12.869 -16.142 7.450 99 HE3 LYS 13 3HE LYS 13 11.919 -15.165 8.567 100 HZ1 LYS 13 3HZ LYS 13 12.295 -17.419 9.388 101 HZ2 LYS 13 1HZ LYS 13 11.493 -18.060 8.044 102 HZ3 LYS 13 2HZ LYS 13 10.650 -17.116 9.161 103 HA PRO 14 HA PRO 14 8.334 -9.492 9.636 104 HB2 PRO 14 2HB PRO 14 6.711 -8.002 8.148 105 HB3 PRO 14 3HB PRO 14 8.411 -8.188 7.700 106 HG2 PRO 14 2HG PRO 14 5.989 -9.504 6.538 107 HG3 PRO 14 3HG PRO 14 7.443 -8.904 5.719 108 HD2 PRO 14 2HD PRO 14 6.941 -11.570 6.465 109 HD3 PRO 14 3HD PRO 14 8.511 -10.900 5.979 110 H THR 15 H THR 15 6.341 -8.400 10.551 111 HA THR 15 HA THR 15 4.067 -10.283 10.754 112 HB THR 15 HB THR 15 5.132 -10.085 12.909 113 HG1 THR 15 HG1 THR 15 3.242 -9.947 13.828 114 HG21 THR 15 3HG2 THR 15 5.351 -7.940 14.089 115 HG22 THR 15 1HG2 THR 15 4.778 -7.093 12.653 116 HG23 THR 15 2HG2 THR 15 6.310 -7.967 12.609 117 H ALA 16 H ALA 16 2.162 -9.609 9.989 118 HA ALA 16 HA ALA 16 1.910 -6.801 9.144 119 HB1 ALA 16 3HB ALA 16 0.191 -7.592 7.608 120 HB2 ALA 16 1HB ALA 16 0.323 -9.221 8.276 121 HB3 ALA 16 2HB ALA 16 1.683 -8.512 7.404 122 H ARG 17 H ARG 17 1.136 -5.753 10.991 123 HA ARG 17 HA ARG 17 -1.124 -6.886 12.428 124 HB2 ARG 17 2HB ARG 17 0.823 -5.688 13.555 125 HB3 ARG 17 3HB ARG 17 0.141 -4.187 12.939 126 HG2 ARG 17 2HG ARG 17 -1.959 -4.682 14.149 127 HG3 ARG 17 3HG ARG 17 -1.209 -6.134 14.809 128 HD2 ARG 17 2HD ARG 17 0.573 -4.636 15.787 129 HD3 ARG 17 3HD ARG 17 -0.431 -3.264 15.309 130 HE ARG 17 HE ARG 17 -1.625 -5.335 16.991 131 HH11 ARG 17 1HH1 ARG 17 -0.446 -2.105 16.691 132 HH12 ARG 17 2HH1 ARG 17 -1.082 -1.628 18.223 133 HH21 ARG 17 1HH2 ARG 17 -2.414 -4.696 18.956 134 HH22 ARG 17 2HH2 ARG 17 -2.170 -3.071 19.492 135 H GLY 18 H GLY 18 -2.168 -6.593 10.074 136 HA2 GLY 18 2HA GLY 18 -3.650 -4.064 9.960 137 HA3 GLY 18 3HA GLY 18 -3.759 -5.387 8.805 138 H GLU 19 H GLU 19 -4.546 -7.516 9.940 139 HA GLU 19 HA GLU 19 -5.933 -8.750 11.235 140 HB2 GLU 19 2HB GLU 19 -5.943 -6.368 13.101 141 HB3 GLU 19 3HB GLU 19 -6.392 -8.020 13.512 142 HG2 GLU 19 2HG GLU 19 -4.109 -8.764 13.085 143 HG3 GLU 19 3HG GLU 19 -3.649 -7.126 12.627 144 H ALA 20 H ALA 20 -7.034 -6.353 9.434 145 HA ALA 20 HA ALA 20 -9.770 -6.259 10.470 146 HB1 ALA 20 3HB ALA 20 -8.618 -4.980 7.989 147 HB2 ALA 20 1HB ALA 20 -8.752 -4.208 9.571 148 HB3 ALA 20 2HB ALA 20 -10.208 -4.669 8.688 149 H GLY 21 H GLY 21 -11.612 -6.813 9.068 150 HA2 GLY 21 2HA GLY 21 -11.052 -9.315 7.641 151 HA3 GLY 21 3HA GLY 21 -12.618 -8.782 8.220 152 H SER 22 H SER 22 -10.162 -7.424 5.986 153 HA SER 22 HA SER 22 -12.349 -6.959 4.043 154 HB2 SER 22 2HB SER 22 -9.766 -5.389 4.322 155 HB3 SER 22 3HB SER 22 -11.068 -5.053 3.184 156 HG SER 22 HG SER 22 -10.853 -3.975 5.466 157 H ARG 23 H ARG 23 -11.993 -7.341 1.854 158 HA ARG 23 HA ARG 23 -10.449 -9.440 0.946 159 HB2 ARG 23 2HB ARG 23 -12.292 -8.268 -0.289 160 HB3 ARG 23 3HB ARG 23 -11.179 -6.955 -0.635 161 HG2 ARG 23 2HG ARG 23 -11.202 -8.207 -2.596 162 HG3 ARG 23 3HG ARG 23 -9.731 -8.742 -1.789 163 HD2 ARG 23 2HD ARG 23 -12.280 -10.245 -1.338 164 HD3 ARG 23 3HD ARG 23 -11.401 -10.479 -2.845 165 HE ARG 23 HE ARG 23 -9.478 -11.162 -1.455 166 HH11 ARG 23 1HH1 ARG 23 -12.634 -11.299 -0.071 167 HH12 ARG 23 2HH1 ARG 23 -12.226 -12.600 0.996 168 HH21 ARG 23 1HH2 ARG 23 -8.976 -12.843 -0.108 169 HH22 ARG 23 2HH2 ARG 23 -10.171 -13.457 0.981 170 H ASP 24 H ASP 24 -9.618 -6.019 1.113 171 HA ASP 24 HA ASP 24 -7.130 -5.970 -0.138 172 HB2 ASP 24 2HB ASP 24 -7.917 -4.338 2.293 173 HB3 ASP 24 3HB ASP 24 -6.763 -3.889 1.038 174 H GLU 25 H GLU 25 -7.849 -6.345 3.327 175 HA GLU 25 HA GLU 25 -5.308 -6.683 4.356 176 HB2 GLU 25 2HB GLU 25 -7.783 -8.176 5.264 177 HB3 GLU 25 3HB GLU 25 -6.352 -7.839 6.228 178 HG2 GLU 25 2HG GLU 25 -8.208 -5.745 5.116 179 HG3 GLU 25 3HG GLU 25 -8.279 -6.385 6.754 180 H ARG 26 H ARG 26 -7.471 -9.158 3.020 181 HA ARG 26 HA ARG 26 -5.838 -11.386 3.528 182 HB2 ARG 26 2HB ARG 26 -7.895 -10.963 1.347 183 HB3 ARG 26 3HB ARG 26 -7.197 -12.518 1.779 184 HG2 ARG 26 2HG ARG 26 -8.850 -10.767 3.602 185 HG3 ARG 26 3HG ARG 26 -9.413 -12.217 2.768 186 HD2 ARG 26 2HD ARG 26 -7.803 -13.573 4.000 187 HD3 ARG 26 3HD ARG 26 -7.180 -12.132 4.804 188 HE ARG 26 HE ARG 26 -9.881 -12.225 5.361 189 HH11 ARG 26 1HH1 ARG 26 -7.112 -14.183 5.957 190 HH12 ARG 26 2HH1 ARG 26 -7.760 -14.849 7.412 191 HH21 ARG 26 1HH2 ARG 26 -10.691 -13.073 7.263 192 HH22 ARG 26 2HH2 ARG 26 -9.747 -14.226 8.138 193 H ARG 27 H ARG 27 -5.908 -9.151 0.777 194 HA ARG 27 HA ARG 27 -3.992 -10.528 -0.810 195 HB2 ARG 27 2HB ARG 27 -4.541 -7.548 -0.734 196 HB3 ARG 27 3HB ARG 27 -3.740 -8.426 -2.029 197 HG2 ARG 27 2HG ARG 27 -6.626 -8.702 -1.200 198 HG3 ARG 27 3HG ARG 27 -6.019 -7.890 -2.642 199 HD2 ARG 27 2HD ARG 27 -5.721 -10.835 -2.028 200 HD3 ARG 27 3HD ARG 27 -6.899 -10.132 -3.135 201 HE ARG 27 HE ARG 27 -4.130 -9.520 -3.724 202 HH11 ARG 27 1HH1 ARG 27 -6.821 -11.579 -4.332 203 HH12 ARG 27 2HH1 ARG 27 -6.181 -12.160 -5.831 204 HH21 ARG 27 1HH2 ARG 27 -3.308 -10.291 -5.659 205 HH22 ARG 27 2HH2 ARG 27 -4.219 -11.457 -6.558 206 H ALA 28 H ALA 28 -3.728 -7.985 1.644 207 HA ALA 28 HA ALA 28 -0.979 -7.471 1.441 208 HB1 ALA 28 3HB ALA 28 -2.548 -6.025 2.649 209 HB2 ALA 28 1HB ALA 28 -1.167 -6.467 3.653 210 HB3 ALA 28 2HB ALA 28 -2.725 -7.259 3.897 211 H LEU 29 H LEU 29 -2.665 -9.616 3.768 212 HA LEU 29 HA LEU 29 -0.251 -10.602 4.901 213 HB2 LEU 29 2HB LEU 29 -1.697 -12.281 6.014 214 HB3 LEU 29 3HB LEU 29 -2.226 -10.626 6.230 215 HG LEU 29 HG LEU 29 -3.839 -11.161 4.230 216 HD11 LEU 29 1HD1 LEU 29 -2.918 -13.351 3.678 217 HD12 LEU 29 2HD1 LEU 29 -4.603 -13.478 4.178 218 HD13 LEU 29 3HD1 LEU 29 -3.316 -13.936 5.293 219 HD21 LEU 29 3HD2 LEU 29 -4.567 -10.591 6.478 220 HD22 LEU 29 1HD2 LEU 29 -4.295 -12.253 7.007 221 HD23 LEU 29 2HD2 LEU 29 -5.549 -11.898 5.817 222 H ALA 30 H ALA 30 -2.021 -11.529 2.068 223 HA ALA 30 HA ALA 30 -1.025 -14.146 1.730 224 HB1 ALA 30 3HB ALA 30 -2.858 -13.203 0.384 225 HB2 ALA 30 1HB ALA 30 -1.577 -13.884 -0.622 226 HB3 ALA 30 2HB ALA 30 -1.707 -12.136 -0.419 227 H MET 31 H MET 31 0.312 -10.988 0.803 228 HA MET 31 HA MET 31 2.821 -12.282 -0.034 229 HB2 MET 31 2HB MET 31 1.898 -9.418 -0.342 230 HB3 MET 31 3HB MET 31 3.427 -10.058 -0.933 231 HG2 MET 31 2HG MET 31 0.685 -10.958 -1.816 232 HG3 MET 31 3HG MET 31 1.758 -9.880 -2.711 233 HE1 MET 31 3HE MET 31 4.039 -10.618 -3.800 234 HE2 MET 31 1HE MET 31 4.724 -12.237 -3.658 235 HE3 MET 31 2HE MET 31 4.625 -11.195 -2.239 236 H LYS 32 H LYS 32 1.464 -10.858 2.667 237 HA LYS 32 HA LYS 32 2.225 -10.355 4.729 238 HB2 LYS 32 2HB LYS 32 4.819 -11.513 3.694 239 HB3 LYS 32 3HB LYS 32 4.530 -11.081 5.377 240 HG2 LYS 32 2HG LYS 32 2.763 -12.712 5.551 241 HG3 LYS 32 3HG LYS 32 2.873 -13.073 3.828 242 HD2 LYS 32 2HD LYS 32 5.143 -13.945 4.153 243 HD3 LYS 32 3HD LYS 32 5.044 -13.567 5.877 244 HE2 LYS 32 2HE LYS 32 3.256 -15.159 6.178 245 HE3 LYS 32 3HE LYS 32 3.153 -15.439 4.439 246 HZ1 LYS 32 3HZ LYS 32 4.334 -17.214 5.551 247 HZ2 LYS 32 1HZ LYS 32 5.462 -16.125 6.176 248 HZ3 LYS 32 2HZ LYS 32 5.376 -16.394 4.509 249 H ILE 33 H ILE 33 1.940 -8.180 4.679 250 HA ILE 33 HA ILE 33 4.243 -6.475 3.954 251 HB ILE 33 HB ILE 33 1.308 -5.737 4.158 252 HG12 ILE 33 2HG1 ILE 33 1.746 -7.121 2.196 253 HG13 ILE 33 3HG1 ILE 33 1.432 -5.463 1.700 254 HG21 ILE 33 1HG2 ILE 33 3.654 -4.062 3.261 255 HG22 ILE 33 2HG2 ILE 33 2.754 -3.867 4.763 256 HG23 ILE 33 3HG2 ILE 33 1.957 -3.576 3.218 257 HD11 ILE 33 3HD1 ILE 33 3.239 -6.398 0.408 258 HD12 ILE 33 1HD1 ILE 33 4.127 -6.799 1.877 259 HD13 ILE 33 2HD1 ILE 33 3.858 -5.110 1.442 260 HA PRO 34 HA PRO 34 4.671 -5.970 8.370 261 HB2 PRO 34 2HB PRO 34 6.549 -3.783 7.796 262 HB3 PRO 34 3HB PRO 34 6.854 -5.362 8.522 263 HG2 PRO 34 2HG PRO 34 7.713 -4.730 6.046 264 HG3 PRO 34 3HG PRO 34 7.224 -6.377 6.489 265 HD2 PRO 34 2HD PRO 34 5.683 -4.282 4.986 266 HD3 PRO 34 3HD PRO 34 5.827 -6.024 4.660 267 H PHE 35 H PHE 35 3.609 -3.356 6.347 268 HA PHE 35 HA PHE 35 2.994 -1.728 8.730 269 HB2 PHE 35 2HB PHE 35 3.017 0.226 7.016 270 HB3 PHE 35 3HB PHE 35 4.545 -0.423 7.598 271 HD1 PHE 35 HD2 PHE 35 2.256 -0.257 4.713 272 HD2 PHE 35 HD1 PHE 35 6.058 -1.551 6.128 273 HE1 PHE 35 HE2 PHE 35 2.990 -0.635 2.396 274 HE2 PHE 35 HE1 PHE 35 6.795 -1.927 3.812 275 HZ PHE 35 HZ PHE 35 5.259 -1.471 1.942 276 HA PRO 36 HA PRO 36 -1.288 -2.044 8.030 277 HB2 PRO 36 2HB PRO 36 -2.190 0.449 8.746 278 HB3 PRO 36 3HB PRO 36 -1.661 -0.783 9.898 279 HG2 PRO 36 2HG PRO 36 -0.138 1.551 8.788 280 HG3 PRO 36 3HG PRO 36 -0.224 0.965 10.463 281 HD2 PRO 36 2HD PRO 36 1.881 0.400 8.891 282 HD3 PRO 36 3HD PRO 36 1.258 -0.780 10.061 283 H THR 37 H THR 37 -2.829 -1.829 6.505 284 HA THR 37 HA THR 37 -2.176 -0.831 3.964 285 HB THR 37 HB THR 37 -4.525 -1.323 3.350 286 HG1 THR 37 HG1 THR 37 -5.510 -2.466 5.468 287 HG21 THR 37 3HG2 THR 37 -2.885 -3.156 3.418 288 HG22 THR 37 1HG2 THR 37 -4.493 -3.716 3.876 289 HG23 THR 37 2HG2 THR 37 -3.272 -3.435 5.118 290 H ASP 38 H ASP 38 -4.289 0.507 6.479 291 HA ASP 38 HA ASP 38 -5.409 2.633 5.089 292 HB2 ASP 38 2HB ASP 38 -5.558 3.742 7.379 293 HB3 ASP 38 3HB ASP 38 -6.263 2.133 7.244 294 H LYS 39 H LYS 39 -2.361 2.638 6.953 295 HA LYS 39 HA LYS 39 -1.674 5.310 6.519 296 HB2 LYS 39 2HB LYS 39 -0.551 3.939 8.183 297 HB3 LYS 39 3HB LYS 39 0.133 2.917 6.925 298 HG2 LYS 39 2HG LYS 39 1.528 4.681 6.137 299 HG3 LYS 39 3HG LYS 39 0.708 5.864 7.156 300 HD2 LYS 39 2HD LYS 39 2.318 3.518 8.182 301 HD3 LYS 39 3HD LYS 39 2.916 5.175 8.048 302 HE2 LYS 39 2HE LYS 39 1.078 5.898 9.567 303 HE3 LYS 39 3HE LYS 39 0.636 4.203 9.773 304 HZ1 LYS 39 3HZ LYS 39 2.022 4.962 11.583 305 HZ2 LYS 39 1HZ LYS 39 3.242 5.425 10.503 306 HZ3 LYS 39 2HZ LYS 39 2.842 3.790 10.682 307 H ILE 40 H ILE 40 -0.953 2.438 4.556 308 HA ILE 40 HA ILE 40 0.725 3.508 2.624 309 HB ILE 40 HB ILE 40 -1.525 1.532 2.151 310 HG12 ILE 40 2HG1 ILE 40 1.373 1.012 2.882 311 HG13 ILE 40 3HG1 ILE 40 0.005 0.845 3.979 312 HG21 ILE 40 1HG2 ILE 40 -0.194 0.746 0.256 313 HG22 ILE 40 2HG2 ILE 40 1.007 1.999 0.572 314 HG23 ILE 40 3HG2 ILE 40 -0.623 2.447 0.070 315 HD11 ILE 40 3HD1 ILE 40 0.478 -0.770 1.478 316 HD12 ILE 40 1HD1 ILE 40 -0.909 -0.928 2.558 317 HD13 ILE 40 2HD1 ILE 40 0.710 -1.314 3.140 318 H VAL 41 H VAL 41 -2.787 3.708 2.871 319 HA VAL 41 HA VAL 41 -3.196 4.965 0.326 320 HB VAL 41 HB VAL 41 -5.059 4.819 2.709 321 HG11 VAL 41 1HG1 VAL 41 -5.641 5.409 -0.198 322 HG12 VAL 41 2HG1 VAL 41 -5.729 6.563 1.134 323 HG13 VAL 41 3HG1 VAL 41 -6.851 5.202 1.068 324 HG21 VAL 41 3HG2 VAL 41 -4.366 2.596 1.958 325 HG22 VAL 41 1HG2 VAL 41 -4.823 3.002 0.302 326 HG23 VAL 41 2HG2 VAL 41 -6.058 2.892 1.557 327 H ASN 42 H ASN 42 -2.774 6.149 3.627 328 HA ASN 42 HA ASN 42 -3.601 8.841 2.947 329 HB2 ASN 42 2HB ASN 42 -2.545 7.611 5.490 330 HB3 ASN 42 3HB ASN 42 -2.864 9.336 5.337 331 HD21 ASN 42 1HD2 ASN 42 -4.283 6.178 5.529 332 HD22 ASN 42 2HD2 ASN 42 -5.910 6.706 5.748 333 H LEU 43 H LEU 43 -0.531 7.160 3.238 334 HA LEU 43 HA LEU 43 1.095 9.475 3.530 335 HB2 LEU 43 2HB LEU 43 1.737 6.706 2.521 336 HB3 LEU 43 3HB LEU 43 2.948 7.962 2.696 337 HG LEU 43 HG LEU 43 1.328 6.702 4.917 338 HD11 LEU 43 1HD1 LEU 43 4.281 6.607 4.286 339 HD12 LEU 43 2HD1 LEU 43 3.127 5.291 4.061 340 HD13 LEU 43 3HD1 LEU 43 3.495 5.872 5.686 341 HD21 LEU 43 3HD2 LEU 43 1.658 9.074 5.378 342 HD22 LEU 43 1HD2 LEU 43 3.388 8.911 5.059 343 HD23 LEU 43 2HD2 LEU 43 2.661 8.089 6.442 344 HA PRO 44 HA PRO 44 1.192 10.869 -0.745 345 HB2 PRO 44 2HB PRO 44 3.128 12.722 -0.513 346 HB3 PRO 44 3HB PRO 44 1.530 12.965 0.201 347 HG2 PRO 44 2HG PRO 44 4.070 12.062 1.521 348 HG3 PRO 44 3HG PRO 44 2.878 13.249 2.084 349 HD2 PRO 44 2HD PRO 44 2.953 10.655 2.956 350 HD3 PRO 44 3HD PRO 44 1.468 11.625 2.903 351 H VAL 45 H VAL 45 2.944 11.177 -2.467 352 HA VAL 45 HA VAL 45 4.218 8.776 -2.959 353 HB VAL 45 HB VAL 45 3.725 10.380 -4.722 354 HG11 VAL 45 1HG1 VAL 45 4.263 12.448 -3.540 355 HG12 VAL 45 2HG1 VAL 45 5.104 12.373 -5.089 356 HG13 VAL 45 3HG1 VAL 45 5.980 12.046 -3.591 357 HG21 VAL 45 3HG2 VAL 45 6.681 9.764 -4.586 358 HG22 VAL 45 1HG2 VAL 45 5.764 10.142 -6.046 359 HG23 VAL 45 2HG2 VAL 45 5.421 8.665 -5.145 360 H ASP 46 H ASP 46 5.579 11.667 -1.434 361 HA ASP 46 HA ASP 46 8.288 10.980 -1.475 362 HB2 ASP 46 2HB ASP 46 6.920 12.505 0.748 363 HB3 ASP 46 3HB ASP 46 8.582 12.678 0.185 364 H ASP 47 H ASP 47 6.105 10.708 1.354 365 HA ASP 47 HA ASP 47 7.881 9.078 2.846 366 HB2 ASP 47 2HB ASP 47 4.903 9.517 3.173 367 HB3 ASP 47 3HB ASP 47 5.962 8.786 4.380 368 H PHE 48 H PHE 48 5.424 8.337 0.500 369 HA PHE 48 HA PHE 48 5.033 5.600 1.063 370 HB2 PHE 48 2HB PHE 48 3.588 6.905 -0.455 371 HB3 PHE 48 3HB PHE 48 4.913 7.034 -1.605 372 HD1 PHE 48 HD2 PHE 48 2.854 4.485 0.181 373 HD2 PHE 48 HD1 PHE 48 5.091 5.469 -3.311 374 HE1 PHE 48 HE2 PHE 48 2.120 2.389 -0.880 375 HE2 PHE 48 HE1 PHE 48 4.358 3.376 -4.374 376 HZ PHE 48 HZ PHE 48 2.869 1.833 -3.156 377 H ASN 49 H ASN 49 7.246 7.185 -1.256 378 HA ASN 49 HA ASN 49 8.639 4.895 -2.083 379 HB2 ASN 49 2HB ASN 49 9.624 7.748 -1.839 380 HB3 ASN 49 3HB ASN 49 10.455 6.472 -2.723 381 HD21 ASN 49 1HD2 ASN 49 9.348 9.006 -3.657 382 HD22 ASN 49 2HD2 ASN 49 8.226 8.599 -4.904 383 H GLU 50 H GLU 50 9.353 7.169 0.569 384 HA GLU 50 HA GLU 50 11.645 5.938 1.590 385 HB2 GLU 50 2HB GLU 50 9.448 7.467 2.997 386 HB3 GLU 50 3HB GLU 50 10.935 6.968 3.793 387 HG2 GLU 50 2HG GLU 50 10.807 8.759 1.369 388 HG3 GLU 50 3HG GLU 50 10.944 9.325 3.032 389 H LEU 51 H LEU 51 8.233 5.312 2.361 390 HA LEU 51 HA LEU 51 8.589 3.412 4.379 391 HB2 LEU 51 2HB LEU 51 6.453 4.519 3.839 392 HB3 LEU 51 3HB LEU 51 6.362 3.605 2.346 393 HG LEU 51 HG LEU 51 6.205 1.508 3.658 394 HD11 LEU 51 1HD1 LEU 51 6.081 3.357 6.041 395 HD12 LEU 51 2HD1 LEU 51 7.392 2.238 5.663 396 HD13 LEU 51 3HD1 LEU 51 5.790 1.617 6.064 397 HD21 LEU 51 3HD2 LEU 51 3.916 1.849 4.437 398 HD22 LEU 51 1HD2 LEU 51 4.181 2.653 2.889 399 HD23 LEU 51 2HD2 LEU 51 4.143 3.597 4.380 400 H LEU 52 H LEU 52 8.219 2.934 0.860 401 HA LEU 52 HA LEU 52 8.520 0.114 0.900 402 HB2 LEU 52 2HB LEU 52 9.056 2.111 -1.304 403 HB3 LEU 52 3HB LEU 52 9.059 0.372 -1.532 404 HG LEU 52 HG LEU 52 6.680 2.057 -0.716 405 HD11 LEU 52 1HD1 LEU 52 7.318 2.316 -3.069 406 HD12 LEU 52 2HD1 LEU 52 5.782 1.468 -2.899 407 HD13 LEU 52 3HD1 LEU 52 7.248 0.564 -3.279 408 HD21 LEU 52 3HD2 LEU 52 6.554 -0.116 0.354 409 HD22 LEU 52 1HD2 LEU 52 6.898 -0.921 -1.179 410 HD23 LEU 52 2HD2 LEU 52 5.389 -0.031 -0.968 411 H ALA 53 H ALA 53 10.846 2.734 0.859 412 HA ALA 53 HA ALA 53 13.124 1.115 0.219 413 HB1 ALA 53 3HB ALA 53 12.995 3.854 1.484 414 HB2 ALA 53 1HB ALA 53 13.082 3.514 -0.245 415 HB3 ALA 53 2HB ALA 53 14.436 3.095 0.807 416 H ARG 54 H ARG 54 11.465 1.952 3.170 417 HA ARG 54 HA ARG 54 13.519 1.507 5.042 418 HB2 ARG 54 2HB ARG 54 10.516 1.269 5.261 419 HB3 ARG 54 3HB ARG 54 11.588 1.091 6.642 420 HG2 ARG 54 2HG ARG 54 12.362 3.362 6.402 421 HG3 ARG 54 3HG ARG 54 11.429 3.557 4.917 422 HD2 ARG 54 2HD ARG 54 10.336 4.582 6.891 423 HD3 ARG 54 3HD ARG 54 9.353 3.332 6.126 424 HE ARG 54 HE ARG 54 10.742 2.048 8.118 425 HH11 ARG 54 1HH1 ARG 54 8.558 4.704 7.963 426 HH12 ARG 54 2HH1 ARG 54 7.935 4.421 9.551 427 HH21 ARG 54 1HH2 ARG 54 9.920 1.675 10.141 428 HH22 ARG 54 2HH2 ARG 54 8.685 2.715 10.763 429 H TYR 55 H TYR 55 11.062 -0.753 3.789 430 HA TYR 55 HA TYR 55 12.282 -2.906 5.390 431 HB2 TYR 55 2HB TYR 55 9.563 -2.789 4.050 432 HB3 TYR 55 3HB TYR 55 10.156 -4.114 5.049 433 HD1 TYR 55 HD1 TYR 55 10.463 -3.800 7.480 434 HD2 TYR 55 HD2 TYR 55 8.754 -0.746 5.053 435 HE1 TYR 55 HE1 TYR 55 9.629 -2.671 9.495 436 HE2 TYR 55 HE2 TYR 55 7.918 0.392 7.063 437 HH TYR 55 HH TYR 55 8.953 -0.408 10.196 438 HA PRO 56 HA PRO 56 13.849 -4.895 1.711 439 HB2 PRO 56 2HB PRO 56 13.851 -7.439 3.162 440 HB3 PRO 56 3HB PRO 56 15.218 -6.450 2.647 441 HG2 PRO 56 2HG PRO 56 14.527 -6.744 5.250 442 HG3 PRO 56 3HG PRO 56 15.283 -5.270 4.620 443 HD2 PRO 56 2HD PRO 56 12.389 -5.805 5.222 444 HD3 PRO 56 3HD PRO 56 13.362 -4.357 5.565 445 H LEU 57 H LEU 57 11.315 -4.537 1.147 446 HA LEU 57 HA LEU 57 9.813 -7.000 0.959 447 HB2 LEU 57 2HB LEU 57 9.274 -4.284 -0.274 448 HB3 LEU 57 3HB LEU 57 8.153 -5.634 -0.245 449 HG LEU 57 HG LEU 57 9.169 -4.147 2.186 450 HD11 LEU 57 1HD1 LEU 57 6.863 -3.329 2.357 451 HD12 LEU 57 2HD1 LEU 57 6.469 -4.123 0.834 452 HD13 LEU 57 3HD1 LEU 57 7.636 -2.801 0.865 453 HD21 LEU 57 3HD2 LEU 57 7.109 -6.348 1.965 454 HD22 LEU 57 1HD2 LEU 57 7.533 -5.462 3.432 455 HD23 LEU 57 2HD2 LEU 57 8.723 -6.509 2.660 456 H THR 58 H THR 58 9.631 -8.330 -0.775 457 HA THR 58 HA THR 58 11.431 -8.127 -2.970 458 HB THR 58 HB THR 58 10.244 -10.052 -3.939 459 HG1 THR 58 HG1 THR 58 8.451 -9.839 -1.731 460 HG21 THR 58 3HG2 THR 58 10.661 -10.319 -0.956 461 HG22 THR 58 1HG2 THR 58 11.900 -10.497 -2.201 462 HG23 THR 58 2HG2 THR 58 10.573 -11.654 -2.105 463 H GLU 59 H GLU 59 10.877 -7.904 -5.233 464 HA GLU 59 HA GLU 59 9.715 -5.475 -5.786 465 HB2 GLU 59 2HB GLU 59 10.092 -7.828 -7.655 466 HB3 GLU 59 3HB GLU 59 9.755 -6.179 -8.176 467 HG2 GLU 59 2HG GLU 59 11.835 -5.398 -7.248 468 HG3 GLU 59 3HG GLU 59 12.157 -6.982 -6.540 469 H SER 60 H SER 60 8.151 -8.656 -5.962 470 HA SER 60 HA SER 60 5.717 -7.794 -7.124 471 HB2 SER 60 2HB SER 60 6.371 -10.169 -7.058 472 HB3 SER 60 3HB SER 60 6.203 -10.173 -5.302 473 HG SER 60 HG SER 60 4.248 -10.168 -7.292 474 H GLN 61 H GLN 61 6.842 -7.828 -3.793 475 HA GLN 61 HA GLN 61 4.309 -7.346 -2.579 476 HB2 GLN 61 2HB GLN 61 7.122 -6.869 -1.580 477 HB3 GLN 61 3HB GLN 61 5.687 -6.612 -0.596 478 HG2 GLN 61 2HG GLN 61 5.096 -8.960 -0.798 479 HG3 GLN 61 3HG GLN 61 6.487 -9.237 -1.847 480 HE21 GLN 61 1HE2 GLN 61 5.438 -8.662 1.419 481 HE22 GLN 61 2HE2 GLN 61 6.943 -9.027 2.171 482 H LEU 62 H LEU 62 6.949 -5.163 -3.605 483 HA LEU 62 HA LEU 62 5.778 -2.753 -2.745 484 HB2 LEU 62 2HB LEU 62 7.595 -3.287 -5.103 485 HB3 LEU 62 3HB LEU 62 7.087 -1.678 -4.632 486 HG LEU 62 HG LEU 62 8.140 -2.208 -2.336 487 HD11 LEU 62 1HD1 LEU 62 9.464 -4.358 -3.979 488 HD12 LEU 62 2HD1 LEU 62 8.376 -4.602 -2.612 489 HD13 LEU 62 3HD1 LEU 62 9.949 -3.844 -2.363 490 HD21 LEU 62 3HD2 LEU 62 10.350 -1.511 -3.107 491 HD22 LEU 62 1HD2 LEU 62 9.078 -0.614 -3.934 492 HD23 LEU 62 2HD2 LEU 62 9.916 -1.925 -4.767 493 H ALA 63 H ALA 63 5.382 -4.551 -5.775 494 HA ALA 63 HA ALA 63 3.625 -2.844 -7.113 495 HB1 ALA 63 3HB ALA 63 4.635 -4.807 -8.158 496 HB2 ALA 63 1HB ALA 63 2.880 -4.838 -8.331 497 HB3 ALA 63 2HB ALA 63 3.669 -5.867 -7.131 498 H LEU 64 H LEU 64 2.914 -5.417 -4.746 499 HA LEU 64 HA LEU 64 0.110 -5.151 -4.755 500 HB2 LEU 64 2HB LEU 64 1.232 -7.071 -3.759 501 HB3 LEU 64 3HB LEU 64 1.953 -6.044 -2.532 502 HG LEU 64 HG LEU 64 -0.358 -5.528 -1.698 503 HD11 LEU 64 1HD1 LEU 64 -1.164 -7.735 -3.594 504 HD12 LEU 64 2HD1 LEU 64 -1.601 -6.032 -3.730 505 HD13 LEU 64 3HD1 LEU 64 -2.195 -6.986 -2.373 506 HD21 LEU 64 3HD2 LEU 64 0.408 -8.446 -1.695 507 HD22 LEU 64 1HD2 LEU 64 -0.646 -7.642 -0.531 508 HD23 LEU 64 2HD2 LEU 64 1.062 -7.210 -0.622 509 H VAL 65 H VAL 65 2.565 -3.613 -2.664 510 HA VAL 65 HA VAL 65 0.850 -2.186 -0.982 511 HB VAL 65 HB VAL 65 3.604 -1.355 -1.942 512 HG11 VAL 65 1HG1 VAL 65 2.037 -0.456 0.485 513 HG12 VAL 65 2HG1 VAL 65 2.411 0.524 -0.933 514 HG13 VAL 65 3HG1 VAL 65 3.709 -0.023 0.127 515 HG21 VAL 65 3HG2 VAL 65 3.577 -3.583 -0.909 516 HG22 VAL 65 1HG2 VAL 65 2.787 -2.914 0.520 517 HG23 VAL 65 2HG2 VAL 65 4.427 -2.415 0.102 518 H ARG 66 H ARG 66 2.210 -1.266 -4.134 519 HA ARG 66 HA ARG 66 1.057 1.310 -4.296 520 HB2 ARG 66 2HB ARG 66 1.839 -0.621 -6.495 521 HB3 ARG 66 3HB ARG 66 1.422 1.070 -6.752 522 HG2 ARG 66 2HG ARG 66 3.327 1.797 -5.471 523 HG3 ARG 66 3HG ARG 66 3.708 0.135 -5.017 524 HD2 ARG 66 2HD ARG 66 4.135 -0.401 -7.379 525 HD3 ARG 66 3HD ARG 66 3.762 1.266 -7.817 526 HE ARG 66 HE ARG 66 5.714 1.908 -6.434 527 HH11 ARG 66 1HH1 ARG 66 5.494 -1.277 -7.695 528 HH12 ARG 66 2HH1 ARG 66 7.202 -1.534 -7.664 529 HH21 ARG 66 1HH2 ARG 66 7.918 1.581 -6.399 530 HH22 ARG 66 2HH2 ARG 66 8.558 0.062 -6.931 531 H ASP 67 H ASP 67 -0.125 -1.881 -5.305 532 HA ASP 67 HA ASP 67 -2.533 -1.057 -6.509 533 HB2 ASP 67 2HB ASP 67 -1.556 -3.336 -6.723 534 HB3 ASP 67 3HB ASP 67 -1.976 -3.655 -5.043 535 H ILE 68 H ILE 68 -1.830 -2.003 -3.142 536 HA ILE 68 HA ILE 68 -4.410 -1.697 -2.090 537 HB ILE 68 HB ILE 68 -1.741 -1.259 -0.721 538 HG12 ILE 68 2HG1 ILE 68 -3.563 -3.687 -0.775 539 HG13 ILE 68 3HG1 ILE 68 -2.061 -3.526 -1.679 540 HG21 ILE 68 1HG2 ILE 68 -3.517 -0.180 0.544 541 HG22 ILE 68 2HG2 ILE 68 -2.960 -1.623 1.389 542 HG23 ILE 68 3HG2 ILE 68 -4.481 -1.657 0.496 543 HD11 ILE 68 3HD1 ILE 68 -2.345 -3.589 1.319 544 HD12 ILE 68 1HD1 ILE 68 -0.830 -3.355 0.443 545 HD13 ILE 68 2HD1 ILE 68 -1.715 -4.873 0.287 546 H ARG 69 H ARG 69 -1.753 0.678 -2.357 547 HA ARG 69 HA ARG 69 -3.062 2.870 -1.201 548 HB2 ARG 69 2HB ARG 69 -0.628 2.775 -1.808 549 HB3 ARG 69 3HB ARG 69 -1.086 2.978 -3.494 550 HG2 ARG 69 2HG ARG 69 -2.088 5.151 -2.960 551 HG3 ARG 69 3HG ARG 69 -1.616 4.950 -1.272 552 HD2 ARG 69 2HD ARG 69 0.753 4.868 -1.969 553 HD3 ARG 69 3HD ARG 69 0.255 5.126 -3.642 554 HE ARG 69 HE ARG 69 -0.523 7.111 -1.646 555 HH11 ARG 69 1HH1 ARG 69 1.546 6.269 -4.268 556 HH12 ARG 69 2HH1 ARG 69 1.954 7.911 -4.616 557 HH21 ARG 69 1HH2 ARG 69 0.019 9.208 -2.091 558 HH22 ARG 69 2HH2 ARG 69 1.099 9.560 -3.397 559 H ARG 70 H ARG 70 -3.055 1.693 -4.543 560 HA ARG 70 HA ARG 70 -4.717 3.673 -5.669 561 HB2 ARG 70 2HB ARG 70 -3.521 2.230 -7.150 562 HB3 ARG 70 3HB ARG 70 -4.202 0.787 -6.414 563 HG2 ARG 70 2HG ARG 70 -5.200 1.185 -8.590 564 HG3 ARG 70 3HG ARG 70 -6.410 1.362 -7.319 565 HD2 ARG 70 2HD ARG 70 -6.015 3.844 -7.427 566 HD3 ARG 70 3HD ARG 70 -5.009 3.556 -8.847 567 HE ARG 70 HE ARG 70 -7.515 2.354 -9.240 568 HH11 ARG 70 1HH1 ARG 70 -6.067 5.469 -9.068 569 HH12 ARG 70 2HH1 ARG 70 -7.283 6.218 -10.037 570 HH21 ARG 70 1HH2 ARG 70 -9.070 3.316 -10.501 571 HH22 ARG 70 2HH2 ARG 70 -8.978 5.009 -10.836 572 H ARG 71 H ARG 71 -5.527 0.514 -4.232 573 HA ARG 71 HA ARG 71 -8.278 0.546 -4.732 574 HB2 ARG 71 2HB ARG 71 -6.692 -0.794 -2.532 575 HB3 ARG 71 3HB ARG 71 -8.400 -1.100 -2.822 576 HG2 ARG 71 2HG ARG 71 -7.909 -1.950 -5.041 577 HG3 ARG 71 3HG ARG 71 -6.201 -1.565 -4.838 578 HD2 ARG 71 2HD ARG 71 -6.749 -3.973 -4.482 579 HD3 ARG 71 3HD ARG 71 -5.970 -3.204 -3.099 580 HE ARG 71 HE ARG 71 -8.135 -3.119 -2.028 581 HH11 ARG 71 1HH1 ARG 71 -7.892 -5.184 -4.768 582 HH12 ARG 71 2HH1 ARG 71 -9.268 -6.124 -4.317 583 HH21 ARG 71 1HH2 ARG 71 -9.876 -4.328 -1.439 584 HH22 ARG 71 2HH2 ARG 71 -10.404 -5.626 -2.450 585 H GLY 72 H GLY 72 -6.472 1.817 -1.943 586 HA2 GLY 72 2HA GLY 72 -8.802 2.696 -0.516 587 HA3 GLY 72 3HA GLY 72 -7.145 3.184 -0.202 588 H LYS 73 H LYS 73 -6.381 4.436 -2.488 589 HA LYS 73 HA LYS 73 -7.561 6.984 -2.297 590 HB2 LYS 73 2HB LYS 73 -5.259 6.622 -3.068 591 HB3 LYS 73 3HB LYS 73 -5.855 5.834 -4.521 592 HG2 LYS 73 2HG LYS 73 -6.871 7.920 -5.263 593 HG3 LYS 73 3HG LYS 73 -6.343 8.721 -3.783 594 HD2 LYS 73 2HD LYS 73 -4.496 7.482 -5.835 595 HD3 LYS 73 3HD LYS 73 -4.884 9.200 -5.738 596 HE2 LYS 73 2HE LYS 73 -3.539 7.574 -3.573 597 HE3 LYS 73 3HE LYS 73 -2.729 8.684 -4.676 598 HZ1 LYS 73 3HZ LYS 73 -4.778 9.405 -2.652 599 HZ2 LYS 73 1HZ LYS 73 -4.088 10.485 -3.756 600 HZ3 LYS 73 2HZ LYS 73 -3.127 9.752 -2.575 601 H ASN 74 H ASN 74 -8.346 4.242 -4.301 602 HA ASN 74 HA ASN 74 -9.897 5.519 -6.278 603 HB2 ASN 74 2HB ASN 74 -9.099 3.112 -6.277 604 HB3 ASN 74 3HB ASN 74 -10.393 2.755 -5.140 605 HD21 ASN 74 1HD2 ASN 74 -12.557 2.907 -5.862 606 HD22 ASN 74 2HD2 ASN 74 -12.938 2.858 -7.545 607 H LYS 75 H LYS 75 -10.709 4.313 -3.039 608 HA LYS 75 HA LYS 75 -13.483 4.885 -3.122 609 HB2 LYS 75 2HB LYS 75 -12.524 3.432 -1.404 610 HB3 LYS 75 3HB LYS 75 -11.588 4.774 -0.757 611 HG2 LYS 75 2HG LYS 75 -13.596 5.889 -0.021 612 HG3 LYS 75 3HG LYS 75 -14.607 4.680 -0.814 613 HD2 LYS 75 2HD LYS 75 -14.510 4.253 1.577 614 HD3 LYS 75 3HD LYS 75 -13.705 2.956 0.697 615 HE2 LYS 75 2HE LYS 75 -11.524 3.992 1.195 616 HE3 LYS 75 3HE LYS 75 -12.345 5.262 2.104 617 HZ1 LYS 75 3HZ LYS 75 -13.158 3.610 3.644 618 HZ2 LYS 75 1HZ LYS 75 -11.472 3.513 3.541 619 HZ3 LYS 75 2HZ LYS 75 -12.435 2.365 2.758 620 H VAL 76 H VAL 76 -10.686 6.804 -2.047 621 HA VAL 76 HA VAL 76 -12.031 9.117 -1.215 622 HB VAL 76 HB VAL 76 -9.323 8.960 -2.566 623 HG11 VAL 76 1HG1 VAL 76 -10.480 11.080 -0.743 624 HG12 VAL 76 2HG1 VAL 76 -10.160 11.245 -2.470 625 HG13 VAL 76 3HG1 VAL 76 -8.820 11.037 -1.344 626 HG21 VAL 76 3HG2 VAL 76 -9.462 7.448 -0.650 627 HG22 VAL 76 1HG2 VAL 76 -10.021 8.772 0.372 628 HG23 VAL 76 2HG2 VAL 76 -8.391 8.806 -0.305 629 H ALA 77 H ALA 77 -11.072 8.046 -4.439 630 HA ALA 77 HA ALA 77 -11.956 10.419 -5.787 631 HB1 ALA 77 3HB ALA 77 -11.668 9.125 -7.839 632 HB2 ALA 77 1HB ALA 77 -11.486 7.646 -6.894 633 HB3 ALA 77 2HB ALA 77 -10.276 8.926 -6.773 634 H ALA 78 H ALA 78 -13.422 7.303 -4.984 635 HA ALA 78 HA ALA 78 -15.736 7.451 -6.558 636 HB1 ALA 78 3HB ALA 78 -15.411 6.107 -3.872 637 HB2 ALA 78 1HB ALA 78 -14.972 5.408 -5.432 638 HB3 ALA 78 2HB ALA 78 -16.661 5.761 -5.070 639 H GLN 79 H GLN 79 -15.098 8.743 -3.309 640 HA GLN 79 HA GLN 79 -17.795 9.656 -2.921 641 HB2 GLN 79 2HB GLN 79 -16.905 10.823 -0.942 642 HB3 GLN 79 3HB GLN 79 -16.425 9.134 -0.998 643 HG2 GLN 79 2HG GLN 79 -14.215 9.830 -1.866 644 HG3 GLN 79 3HG GLN 79 -14.714 11.513 -1.690 645 HE21 GLN 79 1HE2 GLN 79 -13.116 11.967 -0.187 646 HE22 GLN 79 2HE2 GLN 79 -13.151 11.352 1.425 647 H ASN 80 H ASN 80 -15.509 10.730 -5.020 648 HA ASN 80 HA ASN 80 -16.792 13.396 -5.156 649 HB2 ASN 80 2HB ASN 80 -13.959 12.633 -5.924 650 HB3 ASN 80 3HB ASN 80 -14.701 14.181 -6.310 651 HD21 ASN 80 1HD2 ASN 80 -13.402 12.180 -3.791 652 HD22 ASN 80 2HD2 ASN 80 -13.308 13.417 -2.591 653 H TYR 81 H TYR 81 -17.329 10.643 -6.377 654 HA TYR 81 HA TYR 81 -16.810 11.093 -9.222 655 HB2 TYR 81 2HB TYR 81 -16.228 8.914 -8.242 656 HB3 TYR 81 3HB TYR 81 -17.903 8.670 -7.765 657 HD1 TYR 81 HD1 TYR 81 -15.846 9.332 -10.821 658 HD2 TYR 81 HD2 TYR 81 -19.277 7.423 -9.168 659 HE1 TYR 81 HE1 TYR 81 -16.278 8.247 -12.982 660 HE2 TYR 81 HE2 TYR 81 -19.716 6.336 -11.328 661 HH TYR 81 HH TYR 81 -19.212 6.729 -13.715 662 H ARG 82 H ARG 82 -18.422 11.066 -10.811 663 HA ARG 82 HA ARG 82 -20.927 12.248 -10.077 664 HB2 ARG 82 2HB ARG 82 -19.927 11.253 -12.760 665 HB3 ARG 82 3HB ARG 82 -21.393 12.195 -12.522 666 HG2 ARG 82 2HG ARG 82 -20.087 14.078 -11.717 667 HG3 ARG 82 3HG ARG 82 -18.604 13.132 -11.861 668 HD2 ARG 82 2HD ARG 82 -20.442 13.902 -14.136 669 HD3 ARG 82 3HD ARG 82 -18.887 14.648 -13.769 670 HE ARG 82 HE ARG 82 -18.217 12.064 -14.067 671 HH11 ARG 82 1HH1 ARG 82 -20.031 14.215 -16.069 672 HH12 ARG 82 2HH1 ARG 82 -19.648 13.350 -17.513 673 HH21 ARG 82 1HH2 ARG 82 -17.724 10.996 -15.920 674 HH22 ARG 82 2HH2 ARG 82 -18.329 11.566 -17.436 675 H LYS 83 H LYS 83 -22.789 11.245 -9.596 676 HA LYS 83 HA LYS 83 -23.005 8.350 -9.965 677 HB2 LYS 83 2HB LYS 83 -23.427 9.325 -7.749 678 HB3 LYS 83 3HB LYS 83 -24.736 10.294 -8.412 679 HG2 LYS 83 2HG LYS 83 -26.080 8.363 -8.794 680 HG3 LYS 83 3HG LYS 83 -24.729 7.278 -8.458 681 HD2 LYS 83 2HD LYS 83 -26.295 7.396 -6.563 682 HD3 LYS 83 3HD LYS 83 -24.695 7.997 -6.128 683 HE2 LYS 83 2HE LYS 83 -26.334 9.471 -5.183 684 HE3 LYS 83 3HE LYS 83 -25.533 10.318 -6.503 685 HZ1 LYS 83 3HZ LYS 83 -27.852 10.723 -6.677 686 HZ2 LYS 83 1HZ LYS 83 -28.226 9.080 -6.541 687 HZ3 LYS 83 2HZ LYS 83 -27.454 9.655 -7.924 688 H ARG 84 H ARG 84 -24.599 7.333 -11.168 689 HA ARG 84 HA ARG 84 -25.734 8.951 -13.293 690 HB2 ARG 84 2HB ARG 84 -24.673 6.943 -14.016 691 HB3 ARG 84 3HB ARG 84 -25.568 5.967 -12.856 692 HG2 ARG 84 2HG ARG 84 -27.649 6.435 -14.080 693 HG3 ARG 84 3HG ARG 84 -26.742 7.390 -15.250 694 HD2 ARG 84 2HD ARG 84 -26.233 4.468 -14.696 695 HD3 ARG 84 3HD ARG 84 -27.297 5.053 -15.974 696 HE ARG 84 HE ARG 84 -24.383 5.251 -15.894 697 HH11 ARG 84 1HH1 ARG 84 -27.331 5.962 -17.532 698 HH12 ARG 84 2HH1 ARG 84 -26.545 6.250 -19.044 699 HH21 ARG 84 1HH2 ARG 84 -23.398 5.628 -17.843 700 HH22 ARG 84 2HH2 ARG 84 -24.357 6.064 -19.221 701 H LYS 85 H LYS 85 -27.838 9.283 -13.764 702 HA LYS 85 HA LYS 85 -29.921 8.595 -11.869 703 HB2 LYS 85 2HB LYS 85 -30.131 10.747 -12.856 704 HB3 LYS 85 3HB LYS 85 -29.822 10.126 -14.469 705 HG2 LYS 85 2HG LYS 85 -32.140 10.738 -14.263 706 HG3 LYS 85 3HG LYS 85 -32.011 8.989 -14.430 707 HD2 LYS 85 2HD LYS 85 -32.283 8.757 -11.984 708 HD3 LYS 85 3HD LYS 85 -32.454 10.510 -11.853 709 HE2 LYS 85 2HE LYS 85 -34.440 10.408 -13.309 710 HE3 LYS 85 3HE LYS 85 -34.276 8.652 -13.388 711 HZ1 LYS 85 3HZ LYS 85 -34.685 8.507 -11.043 712 HZ2 LYS 85 1HZ LYS 85 -35.923 9.417 -11.748 713 HZ3 LYS 85 2HZ LYS 85 -34.694 10.190 -10.882 714 H LEU 86 H LEU 86 -31.218 6.821 -12.002 715 HA LEU 86 HA LEU 86 -30.745 4.810 -13.941 716 HB2 LEU 86 2HB LEU 86 -32.752 5.138 -11.745 717 HB3 LEU 86 3HB LEU 86 -32.947 3.842 -12.907 718 HG LEU 86 HG LEU 86 -31.825 3.066 -10.864 719 HD11 LEU 86 1HD1 LEU 86 -29.896 1.971 -11.923 720 HD12 LEU 86 2HD1 LEU 86 -30.034 3.069 -13.297 721 HD13 LEU 86 3HD1 LEU 86 -31.330 1.923 -12.951 722 HD21 LEU 86 3HD2 LEU 86 -29.569 3.810 -10.302 723 HD22 LEU 86 1HD2 LEU 86 -30.707 5.155 -10.230 724 HD23 LEU 86 2HD2 LEU 86 -29.616 4.996 -11.607 725 H GLU 87 H GLU 87 -31.057 5.826 -15.937 726 HA GLU 87 HA GLU 87 -33.706 6.658 -16.751 727 HB2 GLU 87 2HB GLU 87 -32.630 6.933 -18.995 728 HB3 GLU 87 3HB GLU 87 -31.842 7.832 -17.707 729 HG2 GLU 87 2HG GLU 87 -30.142 6.033 -17.550 730 HG3 GLU 87 3HG GLU 87 -30.899 5.241 -18.930 731 H THR 88 H THR 88 -35.155 5.017 -16.777 732 HA THR 88 HA THR 88 -34.430 2.384 -17.778 733 HB THR 88 HB THR 88 -36.734 1.720 -17.193 734 HG1 THR 88 HG1 THR 88 -37.205 4.355 -17.298 735 HG21 THR 88 3HG2 THR 88 -35.326 3.271 -15.010 736 HG22 THR 88 1HG2 THR 88 -35.005 1.600 -15.475 737 HG23 THR 88 2HG2 THR 88 -36.556 2.032 -14.760 738 H ILE 89 H ILE 89 -34.120 2.493 -19.960 739 HA ILE 89 HA ILE 89 -35.866 3.921 -21.733 740 HB ILE 89 HB ILE 89 -33.779 1.827 -22.389 741 HG12 ILE 89 2HG1 ILE 89 -33.536 4.853 -22.335 742 HG13 ILE 89 3HG1 ILE 89 -32.862 3.759 -21.132 743 HG21 ILE 89 1HG2 ILE 89 -33.765 2.841 -24.629 744 HG22 ILE 89 2HG2 ILE 89 -35.081 3.913 -24.149 745 HG23 ILE 89 3HG2 ILE 89 -35.346 2.171 -24.226 746 HD11 ILE 89 3HD1 ILE 89 -31.157 4.499 -22.670 747 HD12 ILE 89 1HD1 ILE 89 -32.091 3.893 -24.038 748 HD13 ILE 89 2HD1 ILE 89 -31.429 2.766 -22.853 749 H VAL 90 H VAL 90 -37.955 3.167 -21.687 750 HA VAL 90 HA VAL 90 -38.506 0.312 -21.944 751 HB VAL 90 HB VAL 90 -40.456 2.627 -21.807 752 HG11 VAL 90 1HG1 VAL 90 -40.892 -0.346 -21.459 753 HG12 VAL 90 2HG1 VAL 90 -41.433 0.634 -22.823 754 HG13 VAL 90 3HG1 VAL 90 -42.113 0.903 -21.220 755 HG21 VAL 90 3HG2 VAL 90 -39.458 0.805 -19.609 756 HG22 VAL 90 1HG2 VAL 90 -40.753 1.991 -19.445 757 HG23 VAL 90 2HG2 VAL 90 -39.106 2.524 -19.784 758 H GLN 91 H GLN 91 -39.025 -0.694 -23.813 759 HA GLN 91 HA GLN 91 -39.875 0.928 -26.130 760 HB2 GLN 91 2HB GLN 91 -37.374 0.092 -26.092 761 HB3 GLN 91 3HB GLN 91 -38.081 -1.450 -26.548 762 HG2 GLN 91 2HG GLN 91 -38.449 1.130 -28.069 763 HG3 GLN 91 3HG GLN 91 -37.263 -0.106 -28.464 764 HE21 GLN 91 1HE2 GLN 91 -39.038 -2.337 -27.917 765 HE22 GLN 91 2HE2 GLN 91 -40.180 -2.373 -29.209 Start of MODEL 9 1 H1 MET 1 1H MET 1 38.599 -11.125 18.724 2 H2 MET 1 2H MET 1 37.268 -10.109 18.496 3 H3 MET 1 3H MET 1 38.794 -9.635 17.945 4 HA MET 1 HA MET 1 37.405 -10.368 16.116 5 HB2 MET 1 2HB MET 1 39.658 -12.303 16.732 6 HB3 MET 1 3HB MET 1 38.981 -11.987 15.141 7 HG2 MET 1 2HG MET 1 41.092 -10.842 15.421 8 HG3 MET 1 3HG MET 1 39.775 -9.680 15.257 9 HE1 MET 1 3HE MET 1 41.504 -7.835 16.145 10 HE2 MET 1 1HE MET 1 42.763 -9.042 16.422 11 HE3 MET 1 2HE MET 1 42.309 -7.925 17.709 12 H GLY 2 H GLY 2 35.964 -11.852 15.236 13 HA2 GLY 2 2HA GLY 2 35.641 -14.469 15.440 14 HA3 GLY 2 3HA GLY 2 35.050 -13.993 17.022 15 H HIS 3 H HIS 3 33.338 -12.127 16.862 16 HA HIS 3 HA HIS 3 31.408 -12.989 14.795 17 HB2 HIS 3 2HB HIS 3 29.632 -12.585 16.585 18 HB3 HIS 3 3HB HIS 3 30.647 -14.010 16.769 19 HD1 HIS 3 HD1 HIS 3 29.913 -10.693 18.319 20 HD2 HIS 3 HD2 HIS 3 32.359 -13.977 19.007 21 HE1 HIS 3 HE1 HIS 3 30.806 -10.387 20.638 22 HE2 HIS 3 HE2 HIS 3 32.476 -12.240 20.921 23 H HIS 4 H HIS 4 31.465 -11.302 13.404 24 HA HIS 4 HA HIS 4 30.567 -8.684 14.443 25 HB2 HIS 4 2HB HIS 4 31.327 -7.772 12.219 26 HB3 HIS 4 3HB HIS 4 32.620 -8.384 13.242 27 HD1 HIS 4 HD1 HIS 4 30.720 -9.203 10.089 28 HD2 HIS 4 HD2 HIS 4 34.082 -10.478 12.178 29 HE1 HIS 4 HE1 HIS 4 31.936 -10.753 8.532 30 HE2 HIS 4 HE2 HIS 4 33.893 -11.604 9.857 31 H HIS 5 H HIS 5 28.622 -7.827 13.689 32 HA HIS 5 HA HIS 5 26.981 -9.768 12.173 33 HB2 HIS 5 2HB HIS 5 25.083 -9.118 13.612 34 HB3 HIS 5 3HB HIS 5 26.412 -9.808 14.533 35 HD1 HIS 5 HD1 HIS 5 25.301 -6.271 13.555 36 HD2 HIS 5 HD2 HIS 5 26.924 -8.368 16.760 37 HE1 HIS 5 HE1 HIS 5 25.479 -4.614 15.422 38 HE2 HIS 5 HE2 HIS 5 26.516 -5.876 17.327 39 H HIS 6 H HIS 6 25.129 -8.963 11.045 40 HA HIS 6 HA HIS 6 25.237 -6.096 10.336 41 HB2 HIS 6 2HB HIS 6 24.039 -8.443 8.838 42 HB3 HIS 6 3HB HIS 6 23.817 -6.763 8.364 43 HD1 HIS 6 HD1 HIS 6 25.502 -5.858 6.778 44 HD2 HIS 6 HD2 HIS 6 26.899 -9.224 8.776 45 HE1 HIS 6 HE1 HIS 6 27.707 -6.408 5.713 46 HE2 HIS 6 HE2 HIS 6 28.617 -8.311 7.075 47 H HIS 7 H HIS 7 22.557 -8.414 10.094 48 HA HIS 7 HA HIS 7 20.995 -6.741 11.965 49 HB2 HIS 7 2HB HIS 7 20.018 -8.352 9.589 50 HB3 HIS 7 3HB HIS 7 18.970 -7.525 10.738 51 HD1 HIS 7 HD1 HIS 7 18.700 -4.997 10.479 52 HD2 HIS 7 HD2 HIS 7 21.431 -6.639 7.813 53 HE1 HIS 7 HE1 HIS 7 19.176 -3.190 8.810 54 HE2 HIS 7 HE2 HIS 7 20.927 -4.157 7.289 55 H HIS 8 H HIS 8 21.072 -7.785 13.869 56 HA HIS 8 HA HIS 8 20.946 -10.714 13.932 57 HB2 HIS 8 2HB HIS 8 22.803 -9.793 15.146 58 HB3 HIS 8 3HB HIS 8 21.759 -8.669 16.007 59 HD1 HIS 8 HD1 HIS 8 20.590 -9.520 18.102 60 HD2 HIS 8 HD2 HIS 8 22.672 -12.486 16.067 61 HE1 HIS 8 HE1 HIS 8 20.616 -11.495 19.640 62 HE2 HIS 8 HE2 HIS 8 21.725 -13.323 18.324 63 H SER 9 H SER 9 18.760 -11.169 13.687 64 HA SER 9 HA SER 9 17.180 -11.090 16.046 65 HB2 SER 9 2HB SER 9 16.758 -8.767 15.421 66 HB3 SER 9 3HB SER 9 16.269 -9.265 13.801 67 HG SER 9 HG SER 9 14.457 -8.914 15.131 68 H HIS 10 H HIS 10 15.145 -12.183 15.838 69 HA HIS 10 HA HIS 10 14.323 -13.223 13.266 70 HB2 HIS 10 2HB HIS 10 14.313 -15.596 13.982 71 HB3 HIS 10 3HB HIS 10 15.936 -14.935 13.864 72 HD1 HIS 10 HD1 HIS 10 17.303 -14.763 16.034 73 HD2 HIS 10 HD2 HIS 10 13.473 -16.272 16.576 74 HE1 HIS 10 HE1 HIS 10 17.281 -15.715 18.353 75 HE2 HIS 10 HE2 HIS 10 14.894 -16.401 18.732 76 H MET 11 H MET 11 13.384 -11.555 15.606 77 HA MET 11 HA MET 11 11.064 -12.995 16.604 78 HB2 MET 11 2HB MET 11 12.222 -11.423 18.086 79 HB3 MET 11 3HB MET 11 11.928 -10.110 16.954 80 HG2 MET 11 2HG MET 11 10.368 -9.913 18.744 81 HG3 MET 11 3HG MET 11 9.485 -10.429 17.309 82 HE1 MET 11 3HE MET 11 10.529 -13.137 20.899 83 HE2 MET 11 1HE MET 11 10.866 -11.408 20.816 84 HE3 MET 11 2HE MET 11 11.757 -12.533 19.790 85 H ALA 12 H ALA 12 9.676 -13.393 14.891 86 HA ALA 12 HA ALA 12 8.362 -11.048 13.716 87 HB1 ALA 12 3HB ALA 12 10.113 -11.701 12.121 88 HB2 ALA 12 1HB ALA 12 8.498 -11.947 11.455 89 HB3 ALA 12 2HB ALA 12 9.431 -13.325 12.041 90 H LYS 13 H LYS 13 6.205 -11.262 13.674 91 HA LYS 13 HA LYS 13 4.942 -13.827 13.213 92 HB2 LYS 13 2HB LYS 13 3.471 -13.640 15.236 93 HB3 LYS 13 3HB LYS 13 5.154 -13.996 15.599 94 HG2 LYS 13 2HG LYS 13 5.562 -11.802 16.379 95 HG3 LYS 13 3HG LYS 13 4.043 -11.202 15.708 96 HD2 LYS 13 2HD LYS 13 3.940 -11.487 18.158 97 HD3 LYS 13 3HD LYS 13 2.777 -12.508 17.314 98 HE2 LYS 13 2HE LYS 13 4.274 -14.429 17.568 99 HE3 LYS 13 3HE LYS 13 5.455 -13.407 18.389 100 HZ1 LYS 13 3HZ LYS 13 3.865 -13.021 20.146 101 HZ2 LYS 13 1HZ LYS 13 4.113 -14.683 19.949 102 HZ3 LYS 13 2HZ LYS 13 2.702 -13.960 19.357 103 HA PRO 14 HA PRO 14 2.258 -10.783 11.256 104 HB2 PRO 14 2HB PRO 14 0.760 -12.510 9.823 105 HB3 PRO 14 3HB PRO 14 2.418 -12.102 9.368 106 HG2 PRO 14 2HG PRO 14 1.389 -14.526 10.792 107 HG3 PRO 14 3HG PRO 14 2.616 -14.413 9.520 108 HD2 PRO 14 2HD PRO 14 3.198 -14.660 12.191 109 HD3 PRO 14 3HD PRO 14 4.287 -13.909 11.007 110 H THR 15 H THR 15 1.349 -10.312 13.410 111 HA THR 15 HA THR 15 -0.848 -11.863 14.405 112 HB THR 15 HB THR 15 -1.204 -9.874 15.948 113 HG1 THR 15 HG1 THR 15 -0.277 -8.116 15.188 114 HG21 THR 15 3HG2 THR 15 0.102 -11.807 16.652 115 HG22 THR 15 1HG2 THR 15 0.834 -10.325 17.266 116 HG23 THR 15 2HG2 THR 15 1.541 -11.148 15.874 117 H ALA 16 H ALA 16 -2.074 -11.909 12.409 118 HA ALA 16 HA ALA 16 -3.978 -9.661 12.263 119 HB1 ALA 16 3HB ALA 16 -4.096 -9.883 9.834 120 HB2 ALA 16 1HB ALA 16 -2.871 -11.149 9.873 121 HB3 ALA 16 2HB ALA 16 -2.450 -9.501 10.340 122 H ARG 17 H ARG 17 -6.140 -10.280 11.657 123 HA ARG 17 HA ARG 17 -6.693 -13.087 12.370 124 HB2 ARG 17 2HB ARG 17 -8.586 -10.726 12.447 125 HB3 ARG 17 3HB ARG 17 -8.883 -12.336 13.097 126 HG2 ARG 17 2HG ARG 17 -7.017 -11.997 14.691 127 HG3 ARG 17 3HG ARG 17 -6.830 -10.352 14.080 128 HD2 ARG 17 2HD ARG 17 -8.120 -10.261 16.095 129 HD3 ARG 17 3HD ARG 17 -9.194 -9.907 14.741 130 HE ARG 17 HE ARG 17 -9.409 -12.619 15.185 131 HH11 ARG 17 1HH1 ARG 17 -9.958 -9.752 17.009 132 HH12 ARG 17 2HH1 ARG 17 -11.222 -10.462 17.952 133 HH21 ARG 17 1HH2 ARG 17 -11.036 -13.521 16.394 134 HH22 ARG 17 2HH2 ARG 17 -11.802 -12.585 17.629 135 H GLY 18 H GLY 18 -7.144 -10.755 9.812 136 HA2 GLY 18 2HA GLY 18 -7.680 -11.193 7.586 137 HA3 GLY 18 3HA GLY 18 -8.029 -12.857 8.021 138 H GLU 19 H GLU 19 -10.027 -12.685 9.825 139 HA GLU 19 HA GLU 19 -12.354 -12.235 8.376 140 HB2 GLU 19 2HB GLU 19 -13.526 -12.356 10.559 141 HB3 GLU 19 3HB GLU 19 -12.326 -13.628 10.361 142 HG2 GLU 19 2HG GLU 19 -10.765 -12.418 11.776 143 HG3 GLU 19 3HG GLU 19 -11.905 -11.081 11.923 144 H ALA 20 H ALA 20 -13.837 -10.564 8.226 145 HA ALA 20 HA ALA 20 -14.683 -8.455 8.221 146 HB1 ALA 20 3HB ALA 20 -14.348 -7.003 10.131 147 HB2 ALA 20 1HB ALA 20 -12.983 -7.982 10.670 148 HB3 ALA 20 2HB ALA 20 -14.611 -8.658 10.672 149 H GLY 21 H GLY 21 -11.579 -9.135 7.468 150 HA2 GLY 21 2HA GLY 21 -10.652 -6.400 7.058 151 HA3 GLY 21 3HA GLY 21 -9.764 -7.872 6.696 152 H SER 22 H SER 22 -9.733 -5.814 4.916 153 HA SER 22 HA SER 22 -11.707 -6.142 2.843 154 HB2 SER 22 2HB SER 22 -10.371 -4.539 1.591 155 HB3 SER 22 3HB SER 22 -10.516 -3.989 3.260 156 HG SER 22 HG SER 22 -8.415 -3.875 3.145 157 H ARG 23 H ARG 23 -10.683 -6.340 0.493 158 HA ARG 23 HA ARG 23 -9.771 -8.930 0.011 159 HB2 ARG 23 2HB ARG 23 -10.760 -7.429 -1.704 160 HB3 ARG 23 3HB ARG 23 -9.304 -6.443 -1.667 161 HG2 ARG 23 2HG ARG 23 -8.082 -8.637 -2.316 162 HG3 ARG 23 3HG ARG 23 -9.690 -9.202 -2.779 163 HD2 ARG 23 2HD ARG 23 -8.676 -8.294 -4.734 164 HD3 ARG 23 3HD ARG 23 -9.899 -7.138 -4.207 165 HE ARG 23 HE ARG 23 -7.662 -6.197 -3.031 166 HH11 ARG 23 1HH1 ARG 23 -8.413 -7.044 -6.287 167 HH12 ARG 23 2HH1 ARG 23 -7.189 -6.017 -6.944 168 HH21 ARG 23 1HH2 ARG 23 -6.112 -4.879 -3.884 169 HH22 ARG 23 2HH2 ARG 23 -5.890 -4.806 -5.598 170 H ASP 24 H ASP 24 -7.951 -5.895 0.264 171 HA ASP 24 HA ASP 24 -5.433 -7.035 -0.417 172 HB2 ASP 24 2HB ASP 24 -6.039 -4.397 0.940 173 HB3 ASP 24 3HB ASP 24 -4.541 -4.830 0.115 174 H GLU 25 H GLU 25 -7.134 -6.666 2.607 175 HA GLU 25 HA GLU 25 -5.067 -6.897 4.451 176 HB2 GLU 25 2HB GLU 25 -7.903 -7.902 4.470 177 HB3 GLU 25 3HB GLU 25 -6.829 -8.197 5.833 178 HG2 GLU 25 2HG GLU 25 -7.466 -5.462 4.738 179 HG3 GLU 25 3HG GLU 25 -8.312 -6.214 6.089 180 H ARG 26 H ARG 26 -6.737 -9.513 2.683 181 HA ARG 26 HA ARG 26 -5.287 -11.676 3.755 182 HB2 ARG 26 2HB ARG 26 -6.662 -11.270 1.106 183 HB3 ARG 26 3HB ARG 26 -5.780 -12.749 1.447 184 HG2 ARG 26 2HG ARG 26 -8.043 -13.195 1.903 185 HG3 ARG 26 3HG ARG 26 -7.242 -13.044 3.466 186 HD2 ARG 26 2HD ARG 26 -8.158 -10.855 3.797 187 HD3 ARG 26 3HD ARG 26 -8.770 -10.801 2.140 188 HE ARG 26 HE ARG 26 -9.841 -13.023 3.523 189 HH11 ARG 26 1HH1 ARG 26 -10.136 -9.599 3.344 190 HH12 ARG 26 2HH1 ARG 26 -11.797 -9.614 3.818 191 HH21 ARG 26 1HH2 ARG 26 -11.974 -13.035 4.077 192 HH22 ARG 26 2HH2 ARG 26 -12.827 -11.538 4.218 193 H ARG 27 H ARG 27 -4.653 -9.669 0.906 194 HA ARG 27 HA ARG 27 -2.365 -10.980 -0.028 195 HB2 ARG 27 2HB ARG 27 -3.065 -8.042 -0.243 196 HB3 ARG 27 3HB ARG 27 -1.912 -8.896 -1.255 197 HG2 ARG 27 2HG ARG 27 -4.861 -9.508 -1.110 198 HG3 ARG 27 3HG ARG 27 -4.089 -8.532 -2.360 199 HD2 ARG 27 2HD ARG 27 -2.803 -10.423 -3.118 200 HD3 ARG 27 3HD ARG 27 -3.373 -11.409 -1.771 201 HE ARG 27 HE ARG 27 -5.668 -11.017 -2.841 202 HH11 ARG 27 1HH1 ARG 27 -2.731 -11.294 -4.633 203 HH12 ARG 27 2HH1 ARG 27 -3.529 -11.940 -6.024 204 HH21 ARG 27 1HH2 ARG 27 -6.660 -11.852 -4.626 205 HH22 ARG 27 2HH2 ARG 27 -5.724 -12.244 -6.025 206 H ALA 28 H ALA 28 -2.719 -8.398 2.361 207 HA ALA 28 HA ALA 28 -0.002 -7.783 2.721 208 HB1 ALA 28 3HB ALA 28 -0.688 -6.755 4.823 209 HB2 ALA 28 1HB ALA 28 -2.241 -7.588 4.736 210 HB3 ALA 28 2HB ALA 28 -1.828 -6.366 3.535 211 H LEU 29 H LEU 29 -2.089 -9.979 4.636 212 HA LEU 29 HA LEU 29 0.099 -10.882 6.250 213 HB2 LEU 29 2HB LEU 29 -1.533 -12.519 7.157 214 HB3 LEU 29 3HB LEU 29 -2.066 -10.855 7.239 215 HG LEU 29 HG LEU 29 -3.347 -11.426 5.020 216 HD11 LEU 29 1HD1 LEU 29 -3.011 -14.182 6.208 217 HD12 LEU 29 2HD1 LEU 29 -2.374 -13.629 4.660 218 HD13 LEU 29 3HD1 LEU 29 -4.117 -13.745 4.905 219 HD21 LEU 29 3HD2 LEU 29 -4.265 -12.476 7.700 220 HD22 LEU 29 1HD2 LEU 29 -5.299 -12.092 6.323 221 HD23 LEU 29 2HD2 LEU 29 -4.405 -10.809 7.135 222 H ALA 30 H ALA 30 -1.168 -11.879 3.190 223 HA ALA 30 HA ALA 30 -0.117 -14.542 3.197 224 HB1 ALA 30 3HB ALA 30 -0.835 -12.782 0.846 225 HB2 ALA 30 1HB ALA 30 -1.932 -13.876 1.693 226 HB3 ALA 30 2HB ALA 30 -0.559 -14.525 0.795 227 H MET 31 H MET 31 1.045 -11.473 1.801 228 HA MET 31 HA MET 31 3.615 -12.681 1.110 229 HB2 MET 31 2HB MET 31 2.580 -9.858 0.717 230 HB3 MET 31 3HB MET 31 4.111 -10.470 0.103 231 HG2 MET 31 2HG MET 31 1.415 -11.584 -0.646 232 HG3 MET 31 3HG MET 31 2.301 -10.388 -1.590 233 HE1 MET 31 3HE MET 31 5.308 -11.320 -1.375 234 HE2 MET 31 1HE MET 31 4.498 -10.828 -2.866 235 HE3 MET 31 2HE MET 31 5.409 -12.336 -2.812 236 H LYS 32 H LYS 32 2.352 -11.593 3.878 237 HA LYS 32 HA LYS 32 3.057 -10.706 5.831 238 HB2 LYS 32 2HB LYS 32 5.767 -11.706 4.922 239 HB3 LYS 32 3HB LYS 32 5.324 -11.289 6.574 240 HG2 LYS 32 2HG LYS 32 3.476 -13.081 6.291 241 HG3 LYS 32 3HG LYS 32 4.430 -13.623 4.912 242 HD2 LYS 32 2HD LYS 32 5.391 -13.408 7.770 243 HD3 LYS 32 3HD LYS 32 4.981 -14.897 6.922 244 HE2 LYS 32 2HE LYS 32 6.805 -14.495 5.333 245 HE3 LYS 32 3HE LYS 32 7.218 -13.004 6.182 246 HZ1 LYS 32 3HZ LYS 32 8.664 -14.731 6.923 247 HZ2 LYS 32 1HZ LYS 32 7.371 -15.766 7.254 248 HZ3 LYS 32 2HZ LYS 32 7.604 -14.380 8.192 249 H ILE 33 H ILE 33 2.520 -8.605 4.914 250 HA ILE 33 HA ILE 33 4.768 -6.860 4.259 251 HB ILE 33 HB ILE 33 1.799 -6.271 4.397 252 HG12 ILE 33 2HG1 ILE 33 2.308 -7.850 2.606 253 HG13 ILE 33 3HG1 ILE 33 1.913 -6.278 1.920 254 HG21 ILE 33 1HG2 ILE 33 4.075 -4.588 3.342 255 HG22 ILE 33 2HG2 ILE 33 3.086 -4.251 4.767 256 HG23 ILE 33 3HG2 ILE 33 2.361 -4.215 3.159 257 HD11 ILE 33 3HD1 ILE 33 4.297 -5.837 1.580 258 HD12 ILE 33 1HD1 ILE 33 3.771 -7.304 0.752 259 HD13 ILE 33 2HD1 ILE 33 4.679 -7.420 2.259 260 HA PRO 34 HA PRO 34 5.082 -5.886 8.627 261 HB2 PRO 34 2HB PRO 34 7.154 -4.147 8.471 262 HB3 PRO 34 3HB PRO 34 7.351 -5.891 8.258 263 HG2 PRO 34 2HG PRO 34 7.112 -3.751 6.168 264 HG3 PRO 34 3HG PRO 34 8.264 -5.097 6.258 265 HD2 PRO 34 2HD PRO 34 6.056 -5.183 4.696 266 HD3 PRO 34 3HD PRO 34 6.720 -6.634 5.478 267 H PHE 35 H PHE 35 3.439 -4.053 6.574 268 HA PHE 35 HA PHE 35 2.821 -2.098 8.630 269 HB2 PHE 35 2HB PHE 35 2.853 -0.195 6.982 270 HB3 PHE 35 3HB PHE 35 4.435 -0.818 7.424 271 HD1 PHE 35 HD2 PHE 35 1.960 -0.505 4.730 272 HD2 PHE 35 HD1 PHE 35 5.822 -1.965 5.809 273 HE1 PHE 35 HE2 PHE 35 2.532 -0.767 2.351 274 HE2 PHE 35 HE1 PHE 35 6.390 -2.221 3.435 275 HZ PHE 35 HZ PHE 35 4.745 -1.625 1.700 276 HA PRO 36 HA PRO 36 -1.272 -3.054 7.452 277 HB2 PRO 36 2HB PRO 36 -2.642 -0.858 8.262 278 HB3 PRO 36 3HB PRO 36 -1.896 -1.993 9.394 279 HG2 PRO 36 2HG PRO 36 -0.857 0.645 8.400 280 HG3 PRO 36 3HG PRO 36 -0.896 0.013 10.059 281 HD2 PRO 36 2HD PRO 36 1.338 -0.070 8.538 282 HD3 PRO 36 3HD PRO 36 0.955 -1.336 9.724 283 H THR 37 H THR 37 -2.859 -2.833 5.887 284 HA THR 37 HA THR 37 -2.182 -1.449 3.494 285 HB THR 37 HB THR 37 -4.291 -2.251 2.578 286 HG1 THR 37 HG1 THR 37 -5.203 -3.634 4.732 287 HG21 THR 37 3HG2 THR 37 -2.440 -3.868 2.778 288 HG22 THR 37 1HG2 THR 37 -4.012 -4.652 2.921 289 HG23 THR 37 2HG2 THR 37 -3.043 -4.350 4.364 290 H ASP 38 H ASP 38 -4.443 -0.767 6.121 291 HA ASP 38 HA ASP 38 -5.895 1.344 5.083 292 HB2 ASP 38 2HB ASP 38 -4.748 1.215 7.887 293 HB3 ASP 38 3HB ASP 38 -6.164 2.130 7.374 294 H LYS 39 H LYS 39 -2.682 1.453 6.593 295 HA LYS 39 HA LYS 39 -2.235 4.219 6.399 296 HB2 LYS 39 2HB LYS 39 -0.897 2.496 7.708 297 HB3 LYS 39 3HB LYS 39 -0.093 2.100 6.193 298 HG2 LYS 39 2HG LYS 39 0.735 4.384 6.013 299 HG3 LYS 39 3HG LYS 39 -0.114 4.818 7.501 300 HD2 LYS 39 2HD LYS 39 1.248 3.034 8.665 301 HD3 LYS 39 3HD LYS 39 2.206 2.911 7.186 302 HE2 LYS 39 2HE LYS 39 3.316 4.382 8.754 303 HE3 LYS 39 3HE LYS 39 2.743 5.314 7.370 304 HZ1 LYS 39 3HZ LYS 39 2.313 6.421 9.494 305 HZ2 LYS 39 1HZ LYS 39 1.351 5.119 9.989 306 HZ3 LYS 39 2HZ LYS 39 0.875 6.070 8.676 307 H ILE 40 H ILE 40 -1.602 1.597 4.127 308 HA ILE 40 HA ILE 40 -0.201 2.977 2.131 309 HB ILE 40 HB ILE 40 -2.157 0.685 1.809 310 HG12 ILE 40 2HG1 ILE 40 0.852 0.632 2.185 311 HG13 ILE 40 3HG1 ILE 40 -0.332 0.223 3.423 312 HG21 ILE 40 1HG2 ILE 40 0.045 1.615 -0.029 313 HG22 ILE 40 2HG2 ILE 40 -1.687 1.746 -0.330 314 HG23 ILE 40 3HG2 ILE 40 -0.925 0.159 -0.245 315 HD11 ILE 40 3HD1 ILE 40 0.639 -1.758 2.401 316 HD12 ILE 40 1HD1 ILE 40 0.056 -1.240 0.821 317 HD13 ILE 40 2HD1 ILE 40 -1.092 -1.662 2.088 318 H VAL 41 H VAL 41 -3.602 2.968 2.914 319 HA VAL 41 HA VAL 41 -4.396 4.216 0.403 320 HB VAL 41 HB VAL 41 -6.041 3.540 2.856 321 HG11 VAL 41 1HG1 VAL 41 -7.085 5.332 1.598 322 HG12 VAL 41 2HG1 VAL 41 -7.984 3.835 1.351 323 HG13 VAL 41 3HG1 VAL 41 -6.895 4.429 0.097 324 HG21 VAL 41 3HG2 VAL 41 -6.850 1.640 1.555 325 HG22 VAL 41 1HG2 VAL 41 -5.098 1.562 1.742 326 HG23 VAL 41 2HG2 VAL 41 -5.800 2.092 0.212 327 H ASN 42 H ASN 42 -4.157 5.119 3.845 328 HA ASN 42 HA ASN 42 -5.264 7.725 3.512 329 HB2 ASN 42 2HB ASN 42 -3.596 6.510 5.720 330 HB3 ASN 42 3HB ASN 42 -4.191 8.166 5.781 331 HD21 ASN 42 1HD2 ASN 42 -5.023 4.829 6.033 332 HD22 ASN 42 2HD2 ASN 42 -6.652 5.067 6.550 333 H LEU 43 H LEU 43 -2.014 6.461 3.182 334 HA LEU 43 HA LEU 43 -0.803 9.092 3.094 335 HB2 LEU 43 2HB LEU 43 0.334 6.360 2.471 336 HB3 LEU 43 3HB LEU 43 1.264 7.847 2.467 337 HG LEU 43 HG LEU 43 -0.064 6.571 4.866 338 HD11 LEU 43 1HD1 LEU 43 2.241 6.291 5.664 339 HD12 LEU 43 2HD1 LEU 43 2.845 6.948 4.143 340 HD13 LEU 43 3HD1 LEU 43 1.961 5.422 4.157 341 HD21 LEU 43 3HD2 LEU 43 1.521 9.137 4.670 342 HD22 LEU 43 1HD2 LEU 43 1.012 8.362 6.172 343 HD23 LEU 43 2HD2 LEU 43 -0.194 8.988 5.051 344 HA PRO 44 HA PRO 44 -1.596 9.639 -1.310 345 HB2 PRO 44 2HB PRO 44 -0.064 11.874 -1.636 346 HB3 PRO 44 3HB PRO 44 -1.675 11.906 -0.904 347 HG2 PRO 44 2HG PRO 44 1.013 11.871 0.436 348 HG3 PRO 44 3HG PRO 44 -0.408 12.869 0.807 349 HD2 PRO 44 2HD PRO 44 0.202 10.659 2.240 350 HD3 PRO 44 3HD PRO 44 -1.478 11.148 1.934 351 H VAL 45 H VAL 45 -0.267 9.747 -3.304 352 HA VAL 45 HA VAL 45 1.568 7.717 -3.491 353 HB VAL 45 HB VAL 45 0.452 8.656 -5.436 354 HG11 VAL 45 1HG1 VAL 45 2.288 11.036 -5.128 355 HG12 VAL 45 2HG1 VAL 45 0.546 11.023 -4.835 356 HG13 VAL 45 3HG1 VAL 45 1.169 10.754 -6.463 357 HG21 VAL 45 3HG2 VAL 45 3.460 8.812 -5.704 358 HG22 VAL 45 1HG2 VAL 45 2.313 8.607 -7.029 359 HG23 VAL 45 2HG2 VAL 45 2.482 7.346 -5.807 360 H ASP 46 H ASP 46 2.253 11.090 -2.740 361 HA ASP 46 HA ASP 46 5.034 11.108 -3.049 362 HB2 ASP 46 2HB ASP 46 3.526 13.094 -2.646 363 HB3 ASP 46 3HB ASP 46 3.457 12.622 -0.953 364 H ASP 47 H ASP 47 3.257 10.791 0.059 365 HA ASP 47 HA ASP 47 5.510 9.903 1.525 366 HB2 ASP 47 2HB ASP 47 2.560 9.579 2.143 367 HB3 ASP 47 3HB ASP 47 3.871 9.312 3.288 368 H PHE 48 H PHE 48 3.093 8.207 -0.337 369 HA PHE 48 HA PHE 48 3.420 5.597 0.611 370 HB2 PHE 48 2HB PHE 48 1.579 6.161 -0.842 371 HB3 PHE 48 3HB PHE 48 2.676 6.626 -2.138 372 HD1 PHE 48 HD2 PHE 48 1.640 3.704 -0.077 373 HD2 PHE 48 HD1 PHE 48 3.305 5.067 -3.755 374 HE1 PHE 48 HE2 PHE 48 1.565 1.417 -0.961 375 HE2 PHE 48 HE1 PHE 48 3.229 2.772 -4.638 376 HZ PHE 48 HZ PHE 48 2.360 0.944 -3.238 377 H ASN 49 H ASN 49 5.006 7.110 -2.241 378 HA ASN 49 HA ASN 49 6.673 4.935 -2.844 379 HB2 ASN 49 2HB ASN 49 7.053 7.885 -3.394 380 HB3 ASN 49 3HB ASN 49 8.065 6.617 -4.082 381 HD21 ASN 49 1HD2 ASN 49 6.307 8.535 -5.405 382 HD22 ASN 49 2HD2 ASN 49 5.201 7.589 -6.331 383 H GLU 50 H GLU 50 7.074 7.525 -0.514 384 HA GLU 50 HA GLU 50 9.761 6.954 0.220 385 HB2 GLU 50 2HB GLU 50 7.465 8.294 1.645 386 HB3 GLU 50 3HB GLU 50 9.020 8.060 2.431 387 HG2 GLU 50 2HG GLU 50 8.573 9.583 -0.134 388 HG3 GLU 50 3HG GLU 50 8.771 10.301 1.465 389 H LEU 51 H LEU 51 6.639 5.869 1.544 390 HA LEU 51 HA LEU 51 7.529 4.346 3.683 391 HB2 LEU 51 2HB LEU 51 5.170 4.897 3.211 392 HB3 LEU 51 3HB LEU 51 5.186 3.785 1.855 393 HG LEU 51 HG LEU 51 5.542 1.895 3.408 394 HD11 LEU 51 1HD1 LEU 51 5.326 2.233 5.816 395 HD12 LEU 51 2HD1 LEU 51 5.267 3.980 5.576 396 HD13 LEU 51 3HD1 LEU 51 6.733 3.080 5.176 397 HD21 LEU 51 3HD2 LEU 51 3.305 1.896 4.410 398 HD22 LEU 51 1HD2 LEU 51 3.265 2.512 2.758 399 HD23 LEU 51 2HD2 LEU 51 3.170 3.632 4.118 400 H LEU 52 H LEU 52 7.253 3.414 0.273 401 HA LEU 52 HA LEU 52 7.756 0.675 0.482 402 HB2 LEU 52 2HB LEU 52 8.556 2.563 -1.740 403 HB3 LEU 52 3HB LEU 52 8.525 0.814 -1.869 404 HG LEU 52 HG LEU 52 6.111 2.574 -1.383 405 HD11 LEU 52 1HD1 LEU 52 5.465 1.985 -3.660 406 HD12 LEU 52 2HD1 LEU 52 6.961 1.073 -3.864 407 HD13 LEU 52 3HD1 LEU 52 7.016 2.823 -3.647 408 HD21 LEU 52 3HD2 LEU 52 5.884 0.369 -0.345 409 HD22 LEU 52 1HD2 LEU 52 6.291 -0.402 -1.879 410 HD23 LEU 52 2HD2 LEU 52 4.803 0.539 -1.726 411 H ALA 53 H ALA 53 10.007 3.358 0.640 412 HA ALA 53 HA ALA 53 12.344 1.634 0.349 413 HB1 ALA 53 3HB ALA 53 12.189 4.597 0.908 414 HB2 ALA 53 1HB ALA 53 12.329 3.858 -0.685 415 HB3 ALA 53 2HB ALA 53 13.640 3.692 0.483 416 H ARG 54 H ARG 54 10.312 2.402 2.864 417 HA ARG 54 HA ARG 54 12.442 2.544 4.891 418 HB2 ARG 54 2HB ARG 54 9.499 3.234 5.093 419 HB3 ARG 54 3HB ARG 54 10.687 3.436 6.383 420 HG2 ARG 54 2HG ARG 54 11.920 5.036 5.038 421 HG3 ARG 54 3HG ARG 54 10.817 4.786 3.686 422 HD2 ARG 54 2HD ARG 54 8.970 5.631 5.161 423 HD3 ARG 54 3HD ARG 54 10.201 6.048 6.358 424 HE ARG 54 HE ARG 54 10.752 7.136 3.769 425 HH11 ARG 54 1HH1 ARG 54 9.022 7.681 6.705 426 HH12 ARG 54 2HH1 ARG 54 8.884 9.380 6.422 427 HH21 ARG 54 1HH2 ARG 54 10.588 9.314 3.439 428 HH22 ARG 54 2HH2 ARG 54 9.793 10.299 4.620 429 H TYR 55 H TYR 55 10.681 0.188 3.494 430 HA TYR 55 HA TYR 55 11.053 -1.534 5.836 431 HB2 TYR 55 2HB TYR 55 8.488 -1.265 4.271 432 HB3 TYR 55 3HB TYR 55 8.875 -2.743 5.146 433 HD1 TYR 55 HD1 TYR 55 9.117 -2.681 7.626 434 HD2 TYR 55 HD2 TYR 55 7.716 0.693 5.435 435 HE1 TYR 55 HE1 TYR 55 8.222 -1.713 9.700 436 HE2 TYR 55 HE2 TYR 55 6.822 1.669 7.505 437 HH TYR 55 HH TYR 55 6.081 0.930 9.719 438 HA PRO 56 HA PRO 56 13.092 -4.073 2.787 439 HB2 PRO 56 2HB PRO 56 12.694 -6.331 4.646 440 HB3 PRO 56 3HB PRO 56 14.195 -5.597 4.076 441 HG2 PRO 56 2HG PRO 56 13.342 -5.262 6.601 442 HG3 PRO 56 3HG PRO 56 14.185 -3.972 5.723 443 HD2 PRO 56 2HD PRO 56 11.244 -4.303 6.237 444 HD3 PRO 56 3HD PRO 56 12.247 -2.838 6.339 445 H LEU 57 H LEU 57 11.724 -4.355 1.061 446 HA LEU 57 HA LEU 57 9.932 -6.696 1.148 447 HB2 LEU 57 2HB LEU 57 9.319 -4.020 -0.125 448 HB3 LEU 57 3HB LEU 57 8.362 -5.471 -0.356 449 HG LEU 57 HG LEU 57 8.761 -4.052 2.285 450 HD11 LEU 57 1HD1 LEU 57 6.376 -4.129 0.431 451 HD12 LEU 57 2HD1 LEU 57 7.410 -2.734 0.751 452 HD13 LEU 57 3HD1 LEU 57 6.409 -3.404 2.039 453 HD21 LEU 57 3HD2 LEU 57 6.980 -5.551 3.088 454 HD22 LEU 57 1HD2 LEU 57 8.418 -6.442 2.594 455 HD23 LEU 57 2HD2 LEU 57 7.003 -6.398 1.540 456 H THR 58 H THR 58 9.875 -7.951 -0.697 457 HA THR 58 HA THR 58 11.911 -7.545 -2.715 458 HB THR 58 HB THR 58 11.137 -9.648 -3.685 459 HG1 THR 58 HG1 THR 58 9.283 -10.364 -1.862 460 HG21 THR 58 3HG2 THR 58 11.210 -9.800 -0.661 461 HG22 THR 58 1HG2 THR 58 12.613 -9.804 -1.731 462 HG23 THR 58 2HG2 THR 58 11.473 -11.148 -1.769 463 H GLU 59 H GLU 59 11.414 -7.497 -5.041 464 HA GLU 59 HA GLU 59 9.785 -5.384 -5.767 465 HB2 GLU 59 2HB GLU 59 10.679 -7.704 -7.486 466 HB3 GLU 59 3HB GLU 59 10.047 -6.181 -8.100 467 HG2 GLU 59 2HG GLU 59 11.931 -4.995 -7.061 468 HG3 GLU 59 3HG GLU 59 12.572 -6.534 -6.486 469 H SER 60 H SER 60 8.964 -8.824 -5.703 470 HA SER 60 HA SER 60 6.419 -8.659 -6.926 471 HB2 SER 60 2HB SER 60 7.354 -10.607 -4.792 472 HB3 SER 60 3HB SER 60 5.958 -10.827 -5.849 473 HG SER 60 HG SER 60 8.685 -11.044 -6.399 474 H GLN 61 H GLN 61 7.477 -8.167 -3.597 475 HA GLN 61 HA GLN 61 4.846 -7.940 -2.500 476 HB2 GLN 61 2HB GLN 61 7.506 -7.015 -1.383 477 HB3 GLN 61 3HB GLN 61 5.995 -7.079 -0.482 478 HG2 GLN 61 2HG GLN 61 5.900 -9.495 -0.765 479 HG3 GLN 61 3HG GLN 61 7.381 -9.456 -1.718 480 HE21 GLN 61 1HE2 GLN 61 6.022 -9.278 1.458 481 HE22 GLN 61 2HE2 GLN 61 7.513 -9.366 2.317 482 H LEU 62 H LEU 62 7.284 -5.511 -3.536 483 HA LEU 62 HA LEU 62 5.763 -3.234 -2.890 484 HB2 LEU 62 2HB LEU 62 7.837 -3.656 -5.037 485 HB3 LEU 62 3HB LEU 62 7.044 -2.112 -4.797 486 HG LEU 62 HG LEU 62 7.901 -2.341 -2.332 487 HD11 LEU 62 1HD1 LEU 62 9.860 -4.131 -3.758 488 HD12 LEU 62 2HD1 LEU 62 8.695 -4.642 -2.536 489 HD13 LEU 62 3HD1 LEU 62 9.992 -3.530 -2.104 490 HD21 LEU 62 3HD2 LEU 62 9.766 -1.709 -4.622 491 HD22 LEU 62 1HD2 LEU 62 9.975 -1.200 -2.945 492 HD23 LEU 62 2HD2 LEU 62 8.607 -0.604 -3.882 493 H ALA 63 H ALA 63 5.849 -5.114 -5.923 494 HA ALA 63 HA ALA 63 4.070 -3.625 -7.452 495 HB1 ALA 63 3HB ALA 63 5.334 -5.517 -8.338 496 HB2 ALA 63 1HB ALA 63 3.613 -5.703 -8.677 497 HB3 ALA 63 2HB ALA 63 4.362 -6.633 -7.379 498 H LEU 64 H LEU 64 3.392 -6.038 -4.967 499 HA LEU 64 HA LEU 64 0.569 -6.065 -5.229 500 HB2 LEU 64 2HB LEU 64 1.821 -7.815 -4.064 501 HB3 LEU 64 3HB LEU 64 2.324 -6.662 -2.843 502 HG LEU 64 HG LEU 64 -0.086 -6.375 -2.210 503 HD11 LEU 64 1HD1 LEU 64 -0.485 -8.735 -4.050 504 HD12 LEU 64 2HD1 LEU 64 -1.121 -7.108 -4.286 505 HD13 LEU 64 3HD1 LEU 64 -1.687 -8.085 -2.933 506 HD21 LEU 64 3HD2 LEU 64 -0.205 -8.436 -0.936 507 HD22 LEU 64 1HD2 LEU 64 1.451 -7.835 -0.965 508 HD23 LEU 64 2HD2 LEU 64 0.986 -9.189 -1.995 509 H VAL 65 H VAL 65 2.679 -4.382 -2.887 510 HA VAL 65 HA VAL 65 0.746 -2.983 -1.470 511 HB VAL 65 HB VAL 65 3.574 -2.113 -2.120 512 HG11 VAL 65 1HG1 VAL 65 1.733 -1.186 0.087 513 HG12 VAL 65 2HG1 VAL 65 2.261 -0.233 -1.300 514 HG13 VAL 65 3HG1 VAL 65 3.432 -0.748 -0.086 515 HG21 VAL 65 3HG2 VAL 65 2.476 -3.663 0.236 516 HG22 VAL 65 1HG2 VAL 65 4.140 -3.099 0.064 517 HG23 VAL 65 2HG2 VAL 65 3.497 -4.304 -1.053 518 H ARG 66 H ARG 66 2.382 -2.054 -4.478 519 HA ARG 66 HA ARG 66 1.232 0.521 -4.724 520 HB2 ARG 66 2HB ARG 66 2.286 -1.353 -6.861 521 HB3 ARG 66 3HB ARG 66 1.905 0.348 -7.111 522 HG2 ARG 66 2HG ARG 66 3.642 1.027 -5.598 523 HG3 ARG 66 3HG ARG 66 3.944 -0.645 -5.125 524 HD2 ARG 66 2HD ARG 66 5.647 0.104 -6.679 525 HD3 ARG 66 3HD ARG 66 4.659 -1.153 -7.421 526 HE ARG 66 HE ARG 66 3.518 1.224 -8.199 527 HH11 ARG 66 1HH1 ARG 66 6.643 -0.214 -8.474 528 HH12 ARG 66 2HH1 ARG 66 6.982 0.568 -9.974 529 HH21 ARG 66 1HH2 ARG 66 3.971 2.213 -10.126 530 HH22 ARG 66 2HH2 ARG 66 5.488 1.921 -10.904 531 H ASP 67 H ASP 67 0.122 -2.675 -5.741 532 HA ASP 67 HA ASP 67 -2.132 -1.831 -7.240 533 HB2 ASP 67 2HB ASP 67 -1.154 -4.141 -7.267 534 HB3 ASP 67 3HB ASP 67 -1.818 -4.398 -5.656 535 H ILE 68 H ILE 68 -1.794 -2.859 -3.847 536 HA ILE 68 HA ILE 68 -4.351 -2.534 -2.890 537 HB ILE 68 HB ILE 68 -1.786 -1.759 -1.478 538 HG12 ILE 68 2HG1 ILE 68 -3.305 -4.385 -1.488 539 HG13 ILE 68 3HG1 ILE 68 -1.776 -4.084 -2.305 540 HG21 ILE 68 1HG2 ILE 68 -3.739 -0.832 -0.344 541 HG22 ILE 68 2HG2 ILE 68 -3.014 -2.127 0.609 542 HG23 ILE 68 3HG2 ILE 68 -4.489 -2.430 -0.309 543 HD11 ILE 68 3HD1 ILE 68 -1.414 -5.304 -0.257 544 HD12 ILE 68 1HD1 ILE 68 -2.244 -4.053 0.670 545 HD13 ILE 68 2HD1 ILE 68 -0.710 -3.690 -0.126 546 H ARG 69 H ARG 69 -1.831 -0.001 -3.036 547 HA ARG 69 HA ARG 69 -3.378 2.139 -2.116 548 HB2 ARG 69 2HB ARG 69 -0.952 2.267 -2.310 549 HB3 ARG 69 3HB ARG 69 -1.053 2.139 -4.058 550 HG2 ARG 69 2HG ARG 69 -2.601 4.379 -2.984 551 HG3 ARG 69 3HG ARG 69 -0.882 4.478 -2.609 552 HD2 ARG 69 2HD ARG 69 -2.079 4.118 -5.364 553 HD3 ARG 69 3HD ARG 69 -1.422 5.621 -4.715 554 HE ARG 69 HE ARG 69 0.635 3.840 -4.508 555 HH11 ARG 69 1HH1 ARG 69 -1.345 4.935 -7.105 556 HH12 ARG 69 2HH1 ARG 69 -0.102 4.710 -8.287 557 HH21 ARG 69 1HH2 ARG 69 2.232 3.557 -6.064 558 HH22 ARG 69 2HH2 ARG 69 1.881 3.950 -7.710 559 H ARG 70 H ARG 70 -2.912 0.960 -5.449 560 HA ARG 70 HA ARG 70 -4.370 2.904 -6.819 561 HB2 ARG 70 2HB ARG 70 -3.053 1.327 -8.045 562 HB3 ARG 70 3HB ARG 70 -3.955 -0.035 -7.396 563 HG2 ARG 70 2HG ARG 70 -4.580 0.349 -9.694 564 HG3 ARG 70 3HG ARG 70 -5.947 0.714 -8.642 565 HD2 ARG 70 2HD ARG 70 -5.802 2.416 -10.339 566 HD3 ARG 70 3HD ARG 70 -5.353 3.129 -8.789 567 HE ARG 70 HE ARG 70 -3.087 2.195 -10.270 568 HH11 ARG 70 1HH1 ARG 70 -5.309 4.807 -9.996 569 HH12 ARG 70 2HH1 ARG 70 -4.210 5.957 -10.657 570 HH21 ARG 70 1HH2 ARG 70 -1.693 3.664 -11.136 571 HH22 ARG 70 2HH2 ARG 70 -2.179 5.314 -11.313 572 H ARG 71 H ARG 71 -5.532 0.087 -5.034 573 HA ARG 71 HA ARG 71 -8.235 0.332 -6.053 574 HB2 ARG 71 2HB ARG 71 -7.398 -1.331 -3.679 575 HB3 ARG 71 3HB ARG 71 -8.750 -1.595 -4.771 576 HG2 ARG 71 2HG ARG 71 -5.834 -1.893 -5.464 577 HG3 ARG 71 3HG ARG 71 -6.958 -3.205 -5.126 578 HD2 ARG 71 2HD ARG 71 -8.283 -2.589 -7.087 579 HD3 ARG 71 3HD ARG 71 -7.187 -1.242 -7.413 580 HE ARG 71 HE ARG 71 -5.517 -3.352 -7.383 581 HH11 ARG 71 1HH1 ARG 71 -8.449 -2.724 -9.086 582 HH12 ARG 71 2HH1 ARG 71 -8.042 -3.786 -10.387 583 HH21 ARG 71 1HH2 ARG 71 -4.998 -4.677 -9.057 584 HH22 ARG 71 2HH2 ARG 71 -6.096 -4.878 -10.377 585 H GLY 72 H GLY 72 -6.852 0.489 -2.752 586 HA2 GLY 72 2HA GLY 72 -9.220 1.330 -1.501 587 HA3 GLY 72 3HA GLY 72 -7.611 1.477 -0.826 588 H LYS 73 H LYS 73 -6.618 3.275 -2.910 589 HA LYS 73 HA LYS 73 -7.211 5.702 -1.628 590 HB2 LYS 73 2HB LYS 73 -5.128 5.155 -2.949 591 HB3 LYS 73 3HB LYS 73 -6.064 5.419 -4.413 592 HG2 LYS 73 2HG LYS 73 -4.743 7.382 -3.867 593 HG3 LYS 73 3HG LYS 73 -6.468 7.743 -3.741 594 HD2 LYS 73 2HD LYS 73 -6.360 7.504 -1.313 595 HD3 LYS 73 3HD LYS 73 -4.655 7.060 -1.418 596 HE2 LYS 73 2HE LYS 73 -4.930 9.391 -0.744 597 HE3 LYS 73 3HE LYS 73 -4.124 9.270 -2.308 598 HZ1 LYS 73 3HZ LYS 73 -6.263 9.757 -3.375 599 HZ2 LYS 73 1HZ LYS 73 -5.783 11.003 -2.338 600 HZ3 LYS 73 2HZ LYS 73 -6.988 9.924 -1.856 601 H ASN 74 H ASN 74 -8.903 4.078 -4.141 602 HA ASN 74 HA ASN 74 -10.142 6.155 -5.522 603 HB2 ASN 74 2HB ASN 74 -10.300 3.753 -6.128 604 HB3 ASN 74 3HB ASN 74 -11.359 3.486 -4.748 605 HD21 ASN 74 1HD2 ASN 74 -11.072 4.956 -7.891 606 HD22 ASN 74 2HD2 ASN 74 -12.763 5.179 -8.156 607 H LYS 75 H LYS 75 -11.007 4.710 -2.399 608 HA LYS 75 HA LYS 75 -13.416 6.167 -2.009 609 HB2 LYS 75 2HB LYS 75 -12.923 4.159 -0.711 610 HB3 LYS 75 3HB LYS 75 -11.520 4.936 0.012 611 HG2 LYS 75 2HG LYS 75 -12.959 6.534 1.152 612 HG3 LYS 75 3HG LYS 75 -14.381 5.831 0.379 613 HD2 LYS 75 2HD LYS 75 -12.522 4.346 2.252 614 HD3 LYS 75 3HD LYS 75 -14.058 5.074 2.724 615 HE2 LYS 75 2HE LYS 75 -13.686 2.864 0.692 616 HE3 LYS 75 3HE LYS 75 -14.311 2.672 2.329 617 HZ1 LYS 75 3HZ LYS 75 -16.157 4.168 1.700 618 HZ2 LYS 75 1HZ LYS 75 -16.127 2.743 0.793 619 HZ3 LYS 75 2HZ LYS 75 -15.583 4.187 0.112 620 H VAL 76 H VAL 76 -10.046 6.816 -1.184 621 HA VAL 76 HA VAL 76 -10.720 9.363 0.084 622 HB VAL 76 HB VAL 76 -7.955 8.203 -0.348 623 HG11 VAL 76 1HG1 VAL 76 -7.974 10.555 0.285 624 HG12 VAL 76 2HG1 VAL 76 -7.358 9.569 1.609 625 HG13 VAL 76 3HG1 VAL 76 -9.005 10.195 1.668 626 HG21 VAL 76 3HG2 VAL 76 -9.324 6.543 0.815 627 HG22 VAL 76 1HG2 VAL 76 -9.791 7.752 2.011 628 HG23 VAL 76 2HG2 VAL 76 -8.110 7.231 1.894 629 H ALA 77 H ALA 77 -11.201 9.026 -2.773 630 HA ALA 77 HA ALA 77 -9.307 11.005 -3.883 631 HB1 ALA 77 3HB ALA 77 -9.334 8.860 -5.072 632 HB2 ALA 77 1HB ALA 77 -9.895 10.185 -6.091 633 HB3 ALA 77 2HB ALA 77 -11.057 9.059 -5.391 634 H ALA 78 H ALA 78 -12.587 10.501 -2.970 635 HA ALA 78 HA ALA 78 -14.010 12.011 -4.823 636 HB1 ALA 78 3HB ALA 78 -15.758 12.186 -3.138 637 HB2 ALA 78 1HB ALA 78 -14.613 11.711 -1.882 638 HB3 ALA 78 2HB ALA 78 -15.061 10.565 -3.146 639 H GLN 79 H GLN 79 -12.368 13.133 -1.870 640 HA GLN 79 HA GLN 79 -13.360 15.816 -2.059 641 HB2 GLN 79 2HB GLN 79 -11.061 14.668 -0.461 642 HB3 GLN 79 3HB GLN 79 -11.695 16.296 -0.271 643 HG2 GLN 79 2HG GLN 79 -13.218 13.740 0.221 644 HG3 GLN 79 3HG GLN 79 -12.526 14.789 1.458 645 HE21 GLN 79 1HE2 GLN 79 -15.285 13.991 1.071 646 HE22 GLN 79 2HE2 GLN 79 -16.183 15.450 0.870 647 H ASN 80 H ASN 80 -10.794 14.173 -3.618 648 HA ASN 80 HA ASN 80 -9.586 16.739 -4.447 649 HB2 ASN 80 2HB ASN 80 -7.389 15.480 -4.577 650 HB3 ASN 80 3HB ASN 80 -8.005 15.768 -2.952 651 HD21 ASN 80 1HD2 ASN 80 -8.873 14.024 -1.786 652 HD22 ASN 80 2HD2 ASN 80 -8.481 12.393 -2.190 653 H TYR 81 H TYR 81 -11.614 14.893 -5.680 654 HA TYR 81 HA TYR 81 -10.316 13.809 -8.032 655 HB2 TYR 81 2HB TYR 81 -12.409 12.897 -6.783 656 HB3 TYR 81 3HB TYR 81 -13.297 14.133 -7.665 657 HD1 TYR 81 HD1 TYR 81 -10.495 11.928 -8.792 658 HD2 TYR 81 HD2 TYR 81 -14.608 12.962 -9.219 659 HE1 TYR 81 HE1 TYR 81 -10.687 10.374 -10.683 660 HE2 TYR 81 HE2 TYR 81 -14.802 11.408 -11.117 661 HH TYR 81 HH TYR 81 -12.455 9.075 -11.820 662 H ARG 82 H ARG 82 -11.879 14.389 -10.160 663 HA ARG 82 HA ARG 82 -11.095 16.920 -11.021 664 HB2 ARG 82 2HB ARG 82 -12.624 16.578 -12.922 665 HB3 ARG 82 3HB ARG 82 -11.663 15.146 -12.582 666 HG2 ARG 82 2HG ARG 82 -13.627 14.207 -11.352 667 HG3 ARG 82 3HG ARG 82 -14.570 15.590 -11.913 668 HD2 ARG 82 2HD ARG 82 -14.893 13.598 -13.335 669 HD3 ARG 82 3HD ARG 82 -14.185 14.946 -14.228 670 HE ARG 82 HE ARG 82 -12.085 13.388 -13.290 671 HH11 ARG 82 1HH1 ARG 82 -14.737 13.023 -15.461 672 HH12 ARG 82 2HH1 ARG 82 -13.899 11.884 -16.457 673 HH21 ARG 82 1HH2 ARG 82 -11.016 11.945 -14.581 674 HH22 ARG 82 2HH2 ARG 82 -11.806 11.298 -15.977 675 H LYS 83 H LYS 83 -12.193 18.861 -11.370 676 HA LYS 83 HA LYS 83 -13.548 20.613 -10.898 677 HB2 LYS 83 2HB LYS 83 -15.576 18.485 -10.179 678 HB3 LYS 83 3HB LYS 83 -15.932 20.202 -10.309 679 HG2 LYS 83 2HG LYS 83 -15.288 20.157 -12.672 680 HG3 LYS 83 3HG LYS 83 -14.943 18.432 -12.543 681 HD2 LYS 83 2HD LYS 83 -17.106 18.626 -13.514 682 HD3 LYS 83 3HD LYS 83 -17.344 18.103 -11.848 683 HE2 LYS 83 2HE LYS 83 -17.558 20.972 -12.762 684 HE3 LYS 83 3HE LYS 83 -18.930 19.877 -12.636 685 HZ1 LYS 83 3HZ LYS 83 -17.205 20.857 -10.432 686 HZ2 LYS 83 1HZ LYS 83 -18.334 19.609 -10.247 687 HZ3 LYS 83 2HZ LYS 83 -18.847 21.160 -10.671 688 H ARG 84 H ARG 84 -12.341 18.636 -8.547 689 HA ARG 84 HA ARG 84 -13.345 20.329 -6.346 690 HB2 ARG 84 2HB ARG 84 -11.962 17.631 -6.287 691 HB3 ARG 84 3HB ARG 84 -12.379 18.557 -4.850 692 HG2 ARG 84 2HG ARG 84 -14.416 17.666 -6.882 693 HG3 ARG 84 3HG ARG 84 -13.970 16.704 -5.474 694 HD2 ARG 84 2HD ARG 84 -14.940 19.550 -5.232 695 HD3 ARG 84 3HD ARG 84 -16.047 18.179 -5.277 696 HE ARG 84 HE ARG 84 -14.923 17.354 -3.254 697 HH11 ARG 84 1HH1 ARG 84 -14.570 20.691 -4.044 698 HH12 ARG 84 2HH1 ARG 84 -14.278 21.158 -2.407 699 HH21 ARG 84 1HH2 ARG 84 -14.604 17.979 -1.146 700 HH22 ARG 84 2HH2 ARG 84 -14.339 19.652 -0.784 701 H LYS 85 H LYS 85 -11.800 21.175 -4.795 702 HA LYS 85 HA LYS 85 -9.365 22.097 -6.000 703 HB2 LYS 85 2HB LYS 85 -10.443 22.400 -3.187 704 HB3 LYS 85 3HB LYS 85 -8.969 23.169 -3.761 705 HG2 LYS 85 2HG LYS 85 -11.729 23.621 -4.900 706 HG3 LYS 85 3HG LYS 85 -10.897 24.695 -3.774 707 HD2 LYS 85 2HD LYS 85 -9.928 23.962 -6.547 708 HD3 LYS 85 3HD LYS 85 -10.735 25.471 -6.113 709 HE2 LYS 85 2HE LYS 85 -8.108 24.508 -4.965 710 HE3 LYS 85 3HE LYS 85 -8.279 25.700 -6.252 711 HZ1 LYS 85 3HZ LYS 85 -9.345 25.997 -3.496 712 HZ2 LYS 85 1HZ LYS 85 -9.456 27.147 -4.729 713 HZ3 LYS 85 2HZ LYS 85 -7.950 26.737 -4.086 714 H LEU 86 H LEU 86 -8.371 20.061 -6.443 715 HA LEU 86 HA LEU 86 -7.689 18.172 -4.458 716 HB2 LEU 86 2HB LEU 86 -6.389 17.070 -6.114 717 HB3 LEU 86 3HB LEU 86 -7.825 17.697 -6.900 718 HG LEU 86 HG LEU 86 -5.090 18.997 -7.048 719 HD11 LEU 86 1HD1 LEU 86 -4.986 18.125 -9.329 720 HD12 LEU 86 2HD1 LEU 86 -6.499 17.254 -9.071 721 HD13 LEU 86 3HD1 LEU 86 -5.063 16.826 -8.138 722 HD21 LEU 86 3HD2 LEU 86 -6.869 20.609 -7.384 723 HD22 LEU 86 1HD2 LEU 86 -7.643 19.552 -8.567 724 HD23 LEU 86 2HD2 LEU 86 -6.071 20.271 -8.918 725 H GLU 87 H GLU 87 -5.189 17.474 -4.454 726 HA GLU 87 HA GLU 87 -3.200 17.786 -3.433 727 HB2 GLU 87 2HB GLU 87 -3.342 20.542 -4.677 728 HB3 GLU 87 3HB GLU 87 -1.894 19.795 -4.013 729 HG2 GLU 87 2HG GLU 87 -3.447 18.974 -6.458 730 HG3 GLU 87 3HG GLU 87 -1.789 19.565 -6.372 731 H THR 88 H THR 88 -5.384 18.110 -1.812 732 HA THR 88 HA THR 88 -4.164 19.739 0.296 733 HB THR 88 HB THR 88 -7.127 19.829 -0.357 734 HG1 THR 88 HG1 THR 88 -5.060 21.334 -1.165 735 HG21 THR 88 3HG2 THR 88 -5.603 21.164 1.898 736 HG22 THR 88 1HG2 THR 88 -6.747 19.829 2.072 737 HG23 THR 88 2HG2 THR 88 -7.308 21.403 1.518 738 H ILE 89 H ILE 89 -3.633 18.282 1.795 739 HA ILE 89 HA ILE 89 -4.782 15.698 1.970 740 HB ILE 89 HB ILE 89 -3.081 17.119 4.033 741 HG12 ILE 89 2HG1 ILE 89 -1.958 17.038 1.856 742 HG13 ILE 89 3HG1 ILE 89 -1.181 15.933 2.983 743 HG21 ILE 89 1HG2 ILE 89 -2.484 14.842 4.781 744 HG22 ILE 89 2HG2 ILE 89 -3.657 14.176 3.643 745 HG23 ILE 89 3HG2 ILE 89 -4.203 15.186 4.980 746 HD11 ILE 89 3HD1 ILE 89 -1.375 14.959 0.772 747 HD12 ILE 89 1HD1 ILE 89 -3.124 15.166 0.815 748 HD13 ILE 89 2HD1 ILE 89 -2.340 14.054 1.938 749 H VAL 90 H VAL 90 -6.944 15.657 2.414 750 HA VAL 90 HA VAL 90 -7.814 16.738 5.025 751 HB VAL 90 HB VAL 90 -10.124 16.689 4.144 752 HG11 VAL 90 1HG1 VAL 90 -8.814 18.753 4.025 753 HG12 VAL 90 2HG1 VAL 90 -9.933 18.626 2.670 754 HG13 VAL 90 3HG1 VAL 90 -8.217 18.293 2.431 755 HG21 VAL 90 3HG2 VAL 90 -10.506 16.406 1.721 756 HG22 VAL 90 1HG2 VAL 90 -9.896 14.930 2.471 757 HG23 VAL 90 2HG2 VAL 90 -8.815 15.946 1.517 758 H GLN 91 H GLN 91 -9.139 15.404 6.363 759 HA GLN 91 HA GLN 91 -8.637 12.537 5.932 760 HB2 GLN 91 2HB GLN 91 -9.458 13.925 8.492 761 HB3 GLN 91 3HB GLN 91 -8.889 12.269 8.327 762 HG2 GLN 91 2HG GLN 91 -7.274 14.769 7.832 763 HG3 GLN 91 3HG GLN 91 -7.152 13.705 9.229 764 HE21 GLN 91 1HE2 GLN 91 -5.124 14.475 7.264 765 HE22 GLN 91 2HE2 GLN 91 -4.539 12.996 6.590 Start of MODEL 10 1 H1 MET 1 1H MET 1 22.866 -59.777 -7.546 2 H2 MET 1 2H MET 1 21.255 -59.312 -7.750 3 H3 MET 1 3H MET 1 21.724 -60.122 -6.346 4 HA MET 1 HA MET 1 23.068 -58.285 -5.651 5 HB2 MET 1 2HB MET 1 22.085 -56.953 -8.190 6 HB3 MET 1 3HB MET 1 23.056 -56.180 -6.943 7 HG2 MET 1 2HG MET 1 23.879 -58.452 -8.737 8 HG3 MET 1 3HG MET 1 24.481 -56.793 -8.763 9 HE1 MET 1 3HE MET 1 27.534 -58.950 -7.476 10 HE2 MET 1 1HE MET 1 26.963 -57.856 -8.737 11 HE3 MET 1 2HE MET 1 26.297 -59.484 -8.615 12 H GLY 2 H GLY 2 22.128 -56.910 -4.157 13 HA2 GLY 2 2HA GLY 2 19.177 -56.677 -4.310 14 HA3 GLY 2 3HA GLY 2 20.064 -56.922 -2.817 15 H HIS 3 H HIS 3 19.079 -54.596 -5.228 16 HA HIS 3 HA HIS 3 20.344 -52.379 -3.824 17 HB2 HIS 3 2HB HIS 3 18.499 -52.452 -6.223 18 HB3 HIS 3 3HB HIS 3 19.152 -50.971 -5.530 19 HD1 HIS 3 HD1 HIS 3 19.919 -53.594 -7.935 20 HD2 HIS 3 HD2 HIS 3 22.079 -50.848 -5.685 21 HE1 HIS 3 HE1 HIS 3 22.190 -53.499 -8.992 22 HE2 HIS 3 HE2 HIS 3 23.512 -51.912 -7.559 23 H HIS 4 H HIS 4 19.389 -52.520 -1.793 24 HA HIS 4 HA HIS 4 16.473 -52.076 -1.617 25 HB2 HIS 4 2HB HIS 4 17.404 -54.099 -0.492 26 HB3 HIS 4 3HB HIS 4 18.392 -53.056 0.523 27 HD1 HIS 4 HD1 HIS 4 14.870 -54.195 -0.002 28 HD2 HIS 4 HD2 HIS 4 17.036 -51.833 2.644 29 HE1 HIS 4 HE1 HIS 4 13.335 -53.774 1.935 30 HE2 HIS 4 HE2 HIS 4 14.746 -52.545 3.612 31 H HIS 5 H HIS 5 15.950 -49.979 -1.375 32 HA HIS 5 HA HIS 5 17.556 -48.319 0.470 33 HB2 HIS 5 2HB HIS 5 16.524 -47.447 -2.242 34 HB3 HIS 5 3HB HIS 5 17.314 -46.400 -1.069 35 HD1 HIS 5 HD1 HIS 5 18.063 -48.169 -4.030 36 HD2 HIS 5 HD2 HIS 5 20.059 -47.584 -0.433 37 HE1 HIS 5 HE1 HIS 5 20.473 -48.665 -4.510 38 HE2 HIS 5 HE2 HIS 5 21.675 -48.214 -2.350 39 H HIS 6 H HIS 6 16.443 -46.325 1.175 40 HA HIS 6 HA HIS 6 13.495 -46.476 1.072 41 HB2 HIS 6 2HB HIS 6 15.187 -45.805 3.498 42 HB3 HIS 6 3HB HIS 6 13.432 -45.676 3.422 43 HD1 HIS 6 HD1 HIS 6 16.185 -48.099 3.939 44 HD2 HIS 6 HD2 HIS 6 12.070 -48.195 3.333 45 HE1 HIS 6 HE1 HIS 6 15.462 -50.418 4.566 46 HE2 HIS 6 HE2 HIS 6 12.994 -50.486 4.098 47 H HIS 7 H HIS 7 12.439 -44.354 1.500 48 HA HIS 7 HA HIS 7 14.017 -41.957 1.373 49 HB2 HIS 7 2HB HIS 7 12.902 -41.233 -0.858 50 HB3 HIS 7 3HB HIS 7 14.301 -42.296 -0.915 51 HD1 HIS 7 HD1 HIS 7 10.555 -43.035 -0.585 52 HD2 HIS 7 HD2 HIS 7 13.864 -44.073 -2.880 53 HE1 HIS 7 HE1 HIS 7 9.738 -44.763 -2.210 54 HE2 HIS 7 HE2 HIS 7 11.772 -45.455 -3.504 55 H HIS 8 H HIS 8 12.967 -40.547 2.610 56 HA HIS 8 HA HIS 8 10.092 -40.136 2.232 57 HB2 HIS 8 2HB HIS 8 11.379 -40.966 4.819 58 HB3 HIS 8 3HB HIS 8 9.931 -39.962 4.833 59 HD1 HIS 8 HD1 HIS 8 7.763 -41.022 3.790 60 HD2 HIS 8 HD2 HIS 8 10.940 -43.652 4.306 61 HE1 HIS 8 HE1 HIS 8 6.780 -43.319 3.556 62 HE2 HIS 8 HE2 HIS 8 8.746 -44.878 3.695 63 H SER 9 H SER 9 9.336 -38.104 2.732 64 HA SER 9 HA SER 9 11.052 -36.121 3.975 65 HB2 SER 9 2HB SER 9 10.930 -34.548 2.053 66 HB3 SER 9 3HB SER 9 11.842 -36.003 1.663 67 HG SER 9 HG SER 9 10.521 -35.813 -0.035 68 H HIS 10 H HIS 10 9.914 -33.990 4.181 69 HA HIS 10 HA HIS 10 6.991 -34.114 3.914 70 HB2 HIS 10 2HB HIS 10 8.476 -33.468 6.471 71 HB3 HIS 10 3HB HIS 10 6.789 -33.046 6.205 72 HD1 HIS 10 HD1 HIS 10 8.893 -35.705 7.465 73 HD2 HIS 10 HD2 HIS 10 5.112 -35.431 5.771 74 HE1 HIS 10 HE1 HIS 10 7.724 -37.836 8.081 75 HE2 HIS 10 HE2 HIS 10 5.484 -37.694 6.955 76 H MET 11 H MET 11 5.948 -32.042 3.922 77 HA MET 11 HA MET 11 7.695 -29.684 3.865 78 HB2 MET 11 2HB MET 11 6.625 -28.814 1.837 79 HB3 MET 11 3HB MET 11 7.466 -30.323 1.528 80 HG2 MET 11 2HG MET 11 5.362 -31.529 1.530 81 HG3 MET 11 3HG MET 11 4.492 -30.043 1.917 82 HE1 MET 11 3HE MET 11 2.858 -30.323 -0.102 83 HE2 MET 11 1HE MET 11 3.628 -31.845 -0.540 84 HE3 MET 11 2HE MET 11 3.374 -30.603 -1.767 85 H ALA 12 H ALA 12 6.917 -28.118 5.111 86 HA ALA 12 HA ALA 12 3.999 -27.913 5.532 87 HB1 ALA 12 3HB ALA 12 6.132 -27.588 7.650 88 HB2 ALA 12 1HB ALA 12 5.019 -28.948 7.497 89 HB3 ALA 12 2HB ALA 12 4.399 -27.341 7.882 90 H LYS 13 H LYS 13 3.141 -25.892 5.477 91 HA LYS 13 HA LYS 13 4.971 -23.669 4.828 92 HB2 LYS 13 2HB LYS 13 2.001 -23.968 4.310 93 HB3 LYS 13 3HB LYS 13 2.988 -22.598 3.819 94 HG2 LYS 13 2HG LYS 13 4.287 -24.038 2.340 95 HG3 LYS 13 3HG LYS 13 3.340 -25.438 2.856 96 HD2 LYS 13 2HD LYS 13 1.309 -24.381 1.953 97 HD3 LYS 13 3HD LYS 13 2.266 -22.991 1.434 98 HE2 LYS 13 2HE LYS 13 2.620 -25.831 0.470 99 HE3 LYS 13 3HE LYS 13 1.815 -24.539 -0.418 100 HZ1 LYS 13 3HZ LYS 13 3.912 -23.312 -0.427 101 HZ2 LYS 13 1HZ LYS 13 4.076 -24.820 -1.176 102 HZ3 LYS 13 2HZ LYS 13 4.676 -24.584 0.384 103 HA PRO 14 HA PRO 14 3.712 -21.530 8.579 104 HB2 PRO 14 2HB PRO 14 4.190 -18.959 7.865 105 HB3 PRO 14 3HB PRO 14 5.492 -20.109 8.197 106 HG2 PRO 14 2HG PRO 14 4.373 -19.232 5.554 107 HG3 PRO 14 3HG PRO 14 6.069 -19.434 6.037 108 HD2 PRO 14 2HD PRO 14 4.714 -21.305 4.598 109 HD3 PRO 14 3HD PRO 14 6.012 -21.724 5.737 110 H THR 15 H THR 15 1.541 -21.600 8.986 111 HA THR 15 HA THR 15 -0.340 -20.293 7.157 112 HB THR 15 HB THR 15 -0.967 -22.525 7.898 113 HG1 THR 15 HG1 THR 15 -3.065 -21.923 8.827 114 HG21 THR 15 3HG2 THR 15 -1.027 -21.383 10.702 115 HG22 THR 15 1HG2 THR 15 0.171 -22.526 10.088 116 HG23 THR 15 2HG2 THR 15 -1.518 -23.011 10.230 117 H ALA 16 H ALA 16 -1.886 -18.758 7.831 118 HA ALA 16 HA ALA 16 -0.983 -17.065 10.055 119 HB1 ALA 16 3HB ALA 16 -2.287 -15.287 8.999 120 HB2 ALA 16 1HB ALA 16 -2.852 -16.421 7.768 121 HB3 ALA 16 2HB ALA 16 -1.144 -15.997 7.861 122 H ARG 17 H ARG 17 -1.977 -17.492 11.928 123 HA ARG 17 HA ARG 17 -4.559 -18.730 12.075 124 HB2 ARG 17 2HB ARG 17 -2.756 -19.116 13.737 125 HB3 ARG 17 3HB ARG 17 -2.917 -17.452 14.278 126 HG2 ARG 17 2HG ARG 17 -4.041 -19.010 15.786 127 HG3 ARG 17 3HG ARG 17 -5.187 -17.889 15.046 128 HD2 ARG 17 2HD ARG 17 -5.895 -19.588 13.477 129 HD3 ARG 17 3HD ARG 17 -4.660 -20.698 14.068 130 HE ARG 17 HE ARG 17 -6.082 -20.221 16.287 131 HH11 ARG 17 1HH1 ARG 17 -7.094 -20.988 13.093 132 HH12 ARG 17 2HH1 ARG 17 -8.443 -21.924 13.627 133 HH21 ARG 17 1HH2 ARG 17 -7.832 -21.428 16.964 134 HH22 ARG 17 2HH2 ARG 17 -8.860 -22.167 15.791 135 H GLY 18 H GLY 18 -6.339 -17.596 11.524 136 HA2 GLY 18 2HA GLY 18 -7.930 -16.010 12.640 137 HA3 GLY 18 3HA GLY 18 -6.626 -14.838 12.579 138 H GLU 19 H GLU 19 -6.146 -13.803 10.635 139 HA GLU 19 HA GLU 19 -6.479 -12.920 8.569 140 HB2 GLU 19 2HB GLU 19 -7.808 -15.576 7.969 141 HB3 GLU 19 3HB GLU 19 -7.366 -14.369 6.769 142 HG2 GLU 19 2HG GLU 19 -5.021 -14.646 7.284 143 HG3 GLU 19 3HG GLU 19 -5.407 -15.770 8.588 144 H ALA 20 H ALA 20 -8.724 -13.035 10.744 145 HA ALA 20 HA ALA 20 -11.175 -12.780 9.291 146 HB1 ALA 20 3HB ALA 20 -12.144 -12.086 11.429 147 HB2 ALA 20 1HB ALA 20 -10.529 -11.962 12.127 148 HB3 ALA 20 2HB ALA 20 -11.150 -13.532 11.615 149 H GLY 21 H GLY 21 -10.850 -11.200 7.713 150 HA2 GLY 21 2HA GLY 21 -11.384 -8.502 8.577 151 HA3 GLY 21 3HA GLY 21 -9.778 -8.688 7.893 152 H SER 22 H SER 22 -9.541 -8.733 5.709 153 HA SER 22 HA SER 22 -11.853 -9.128 3.973 154 HB2 SER 22 2HB SER 22 -10.300 -6.523 4.033 155 HB3 SER 22 3HB SER 22 -11.423 -6.980 2.752 156 HG SER 22 HG SER 22 -11.927 -6.203 5.389 157 H ARG 23 H ARG 23 -11.198 -8.899 1.616 158 HA ARG 23 HA ARG 23 -9.305 -10.650 0.771 159 HB2 ARG 23 2HB ARG 23 -10.939 -9.718 -0.728 160 HB3 ARG 23 3HB ARG 23 -10.263 -8.106 -0.542 161 HG2 ARG 23 2HG ARG 23 -8.120 -9.116 -1.568 162 HG3 ARG 23 3HG ARG 23 -9.174 -10.438 -2.082 163 HD2 ARG 23 2HD ARG 23 -8.921 -8.703 -3.821 164 HD3 ARG 23 3HD ARG 23 -10.596 -8.874 -3.283 165 HE ARG 23 HE ARG 23 -9.116 -6.841 -1.878 166 HH11 ARG 23 1HH1 ARG 23 -11.029 -7.469 -4.680 167 HH12 ARG 23 2HH1 ARG 23 -11.551 -5.827 -4.801 168 HH21 ARG 23 1HH2 ARG 23 -9.798 -4.781 -2.038 169 HH22 ARG 23 2HH2 ARG 23 -10.863 -4.317 -3.326 170 H ASP 24 H ASP 24 -8.765 -7.116 0.756 171 HA ASP 24 HA ASP 24 -6.088 -7.124 0.027 172 HB2 ASP 24 2HB ASP 24 -7.543 -5.125 1.782 173 HB3 ASP 24 3HB ASP 24 -6.023 -4.831 0.936 174 H GLU 25 H GLU 25 -7.491 -7.261 3.288 175 HA GLU 25 HA GLU 25 -5.142 -7.167 4.802 176 HB2 GLU 25 2HB GLU 25 -7.793 -8.535 5.312 177 HB3 GLU 25 3HB GLU 25 -6.498 -8.520 6.502 178 HG2 GLU 25 2HG GLU 25 -7.785 -6.051 5.341 179 HG3 GLU 25 3HG GLU 25 -8.228 -6.790 6.879 180 H ARG 26 H ARG 26 -6.827 -10.016 3.441 181 HA ARG 26 HA ARG 26 -4.956 -11.888 4.485 182 HB2 ARG 26 2HB ARG 26 -6.891 -12.221 2.181 183 HB3 ARG 26 3HB ARG 26 -6.028 -13.527 2.988 184 HG2 ARG 26 2HG ARG 26 -7.171 -12.775 5.129 185 HG3 ARG 26 3HG ARG 26 -8.195 -11.761 4.111 186 HD2 ARG 26 2HD ARG 26 -9.364 -13.805 4.527 187 HD3 ARG 26 3HD ARG 26 -8.842 -13.818 2.842 188 HE ARG 26 HE ARG 26 -6.890 -15.107 4.392 189 HH11 ARG 26 1HH1 ARG 26 -10.147 -15.589 3.363 190 HH12 ARG 26 2HH1 ARG 26 -10.027 -17.311 3.441 191 HH21 ARG 26 1HH2 ARG 26 -6.760 -17.301 4.519 192 HH22 ARG 26 2HH2 ARG 26 -8.124 -18.276 4.090 193 H ARG 27 H ARG 27 -5.161 -10.150 1.411 194 HA ARG 27 HA ARG 27 -3.052 -11.402 0.047 195 HB2 ARG 27 2HB ARG 27 -3.990 -8.524 -0.003 196 HB3 ARG 27 3HB ARG 27 -2.754 -9.149 -1.085 197 HG2 ARG 27 2HG ARG 27 -4.392 -10.771 -1.974 198 HG3 ARG 27 3HG ARG 27 -5.628 -10.058 -0.936 199 HD2 ARG 27 2HD ARG 27 -5.457 -7.949 -2.079 200 HD3 ARG 27 3HD ARG 27 -4.062 -8.509 -3.002 201 HE ARG 27 HE ARG 27 -6.400 -10.117 -3.413 202 HH11 ARG 27 1HH1 ARG 27 -4.769 -7.246 -4.434 203 HH12 ARG 27 2HH1 ARG 27 -5.521 -7.248 -5.987 204 HH21 ARG 27 1HH2 ARG 27 -7.354 -10.093 -5.390 205 HH22 ARG 27 2HH2 ARG 27 -6.969 -8.846 -6.527 206 H ALA 28 H ALA 28 -3.021 -8.725 2.374 207 HA ALA 28 HA ALA 28 -0.294 -8.091 2.254 208 HB1 ALA 28 3HB ALA 28 -2.004 -6.669 3.311 209 HB2 ALA 28 1HB ALA 28 -0.628 -6.959 4.378 210 HB3 ALA 28 2HB ALA 28 -2.140 -7.832 4.629 211 H LEU 29 H LEU 29 -1.998 -10.316 4.479 212 HA LEU 29 HA LEU 29 0.439 -11.026 5.827 213 HB2 LEU 29 2HB LEU 29 -0.978 -12.674 7.041 214 HB3 LEU 29 3HB LEU 29 -1.541 -11.018 7.131 215 HG LEU 29 HG LEU 29 -3.121 -11.717 5.164 216 HD11 LEU 29 1HD1 LEU 29 -3.830 -14.053 5.244 217 HD12 LEU 29 2HD1 LEU 29 -2.530 -14.412 6.381 218 HD13 LEU 29 3HD1 LEU 29 -2.149 -13.904 4.737 219 HD21 LEU 29 3HD2 LEU 29 -3.895 -11.032 7.363 220 HD22 LEU 29 1HD2 LEU 29 -3.576 -12.646 8.002 221 HD23 LEU 29 2HD2 LEU 29 -4.829 -12.409 6.782 222 H ALA 30 H ALA 30 -1.227 -12.281 3.056 223 HA ALA 30 HA ALA 30 -0.013 -14.876 3.061 224 HB1 ALA 30 3HB ALA 30 -1.152 -13.343 0.721 225 HB2 ALA 30 1HB ALA 30 -2.081 -14.371 1.813 226 HB3 ALA 30 2HB ALA 30 -0.830 -15.075 0.789 227 H MET 31 H MET 31 0.711 -11.855 1.307 228 HA MET 31 HA MET 31 3.226 -12.868 0.279 229 HB2 MET 31 2HB MET 31 1.991 -10.104 0.270 230 HB3 MET 31 3HB MET 31 3.518 -10.496 -0.509 231 HG2 MET 31 2HG MET 31 0.900 -11.822 -1.182 232 HG3 MET 31 3HG MET 31 1.548 -10.422 -2.036 233 HE1 MET 31 3HE MET 31 3.722 -10.459 -3.529 234 HE2 MET 31 1HE MET 31 4.794 -11.851 -3.668 235 HE3 MET 31 2HE MET 31 4.662 -10.992 -2.133 236 H LYS 32 H LYS 32 2.186 -11.621 3.198 237 HA LYS 32 HA LYS 32 3.137 -10.903 5.103 238 HB2 LYS 32 2HB LYS 32 5.729 -11.822 3.847 239 HB3 LYS 32 3HB LYS 32 5.537 -11.343 5.528 240 HG2 LYS 32 2HG LYS 32 3.726 -13.197 5.608 241 HG3 LYS 32 3HG LYS 32 4.496 -13.780 4.131 242 HD2 LYS 32 2HD LYS 32 5.826 -13.379 6.817 243 HD3 LYS 32 3HD LYS 32 5.429 -14.924 6.065 244 HE2 LYS 32 2HE LYS 32 7.033 -14.563 4.323 245 HE3 LYS 32 3HE LYS 32 7.304 -12.901 4.847 246 HZ1 LYS 32 3HZ LYS 32 8.227 -13.743 6.913 247 HZ2 LYS 32 1HZ LYS 32 9.081 -14.349 5.585 248 HZ3 LYS 32 2HZ LYS 32 7.979 -15.334 6.403 249 H ILE 33 H ILE 33 2.492 -8.779 4.580 250 HA ILE 33 HA ILE 33 4.572 -6.919 3.701 251 HB ILE 33 HB ILE 33 1.687 -6.435 4.495 252 HG12 ILE 33 2HG1 ILE 33 1.908 -7.683 2.394 253 HG13 ILE 33 3HG1 ILE 33 1.326 -6.052 2.084 254 HG21 ILE 33 1HG2 ILE 33 3.705 -4.508 3.337 255 HG22 ILE 33 2HG2 ILE 33 3.022 -4.459 4.964 256 HG23 ILE 33 3HG2 ILE 33 1.987 -4.177 3.565 257 HD11 ILE 33 3HD1 ILE 33 4.154 -7.020 1.699 258 HD12 ILE 33 1HD1 ILE 33 3.570 -5.385 1.381 259 HD13 ILE 33 2HD1 ILE 33 2.962 -6.739 0.431 260 HA PRO 34 HA PRO 34 5.659 -6.605 8.061 261 HB2 PRO 34 2HB PRO 34 7.905 -5.140 7.786 262 HB3 PRO 34 3HB PRO 34 7.826 -6.834 7.285 263 HG2 PRO 34 2HG PRO 34 7.578 -4.353 5.614 264 HG3 PRO 34 3HG PRO 34 8.519 -5.822 5.294 265 HD2 PRO 34 2HD PRO 34 6.074 -5.337 4.179 266 HD3 PRO 34 3HD PRO 34 6.678 -6.975 4.513 267 H PHE 35 H PHE 35 3.793 -4.507 6.741 268 HA PHE 35 HA PHE 35 3.946 -2.635 8.922 269 HB2 PHE 35 2HB PHE 35 3.938 -0.607 7.425 270 HB3 PHE 35 3HB PHE 35 5.467 -1.468 7.502 271 HD1 PHE 35 HD2 PHE 35 2.599 -0.604 5.387 272 HD2 PHE 35 HD1 PHE 35 6.339 -2.631 5.574 273 HE1 PHE 35 HE2 PHE 35 2.656 -0.736 2.929 274 HE2 PHE 35 HE1 PHE 35 6.399 -2.759 3.125 275 HZ PHE 35 HZ PHE 35 4.554 -1.812 1.794 276 HA PRO 36 HA PRO 36 -0.412 -2.699 8.684 277 HB2 PRO 36 2HB PRO 36 -1.105 -0.128 9.355 278 HB3 PRO 36 3HB PRO 36 -0.521 -1.327 10.514 279 HG2 PRO 36 2HG PRO 36 1.001 0.851 9.119 280 HG3 PRO 36 3HG PRO 36 1.048 0.372 10.827 281 HD2 PRO 36 2HD PRO 36 2.957 -0.407 9.118 282 HD3 PRO 36 3HD PRO 36 2.371 -1.494 10.397 283 H THR 37 H THR 37 -2.045 -2.513 7.235 284 HA THR 37 HA THR 37 -1.602 -1.354 4.688 285 HB THR 37 HB THR 37 -3.999 -1.907 4.235 286 HG1 THR 37 HG1 THR 37 -5.042 -3.157 5.959 287 HG21 THR 37 3HG2 THR 37 -2.282 -3.594 3.846 288 HG22 THR 37 1HG2 THR 37 -3.745 -4.355 4.472 289 HG23 THR 37 2HG2 THR 37 -2.362 -4.095 5.536 290 H ASP 38 H ASP 38 -3.013 -0.089 7.604 291 HA ASP 38 HA ASP 38 -4.508 2.051 6.606 292 HB2 ASP 38 2HB ASP 38 -2.787 1.973 9.100 293 HB3 ASP 38 3HB ASP 38 -4.056 3.151 8.771 294 H LYS 39 H LYS 39 -1.097 2.106 7.673 295 HA LYS 39 HA LYS 39 -0.432 4.681 6.945 296 HB2 LYS 39 2HB LYS 39 1.062 3.294 8.255 297 HB3 LYS 39 3HB LYS 39 1.304 2.199 6.899 298 HG2 LYS 39 2HG LYS 39 2.498 3.879 5.670 299 HG3 LYS 39 3HG LYS 39 2.107 5.104 6.876 300 HD2 LYS 39 2HD LYS 39 3.752 2.638 7.456 301 HD3 LYS 39 3HD LYS 39 4.446 4.195 7.002 302 HE2 LYS 39 2HE LYS 39 3.249 5.193 8.974 303 HE3 LYS 39 3HE LYS 39 2.820 3.552 9.460 304 HZ1 LYS 39 3HZ LYS 39 5.159 3.015 9.633 305 HZ2 LYS 39 1HZ LYS 39 4.807 4.365 10.591 306 HZ3 LYS 39 2HZ LYS 39 5.591 4.565 9.106 307 H ILE 40 H ILE 40 -0.570 1.823 4.883 308 HA ILE 40 HA ILE 40 0.632 2.771 2.558 309 HB ILE 40 HB ILE 40 -1.757 0.930 2.824 310 HG12 ILE 40 2HG1 ILE 40 1.208 0.330 2.579 311 HG13 ILE 40 3HG1 ILE 40 0.222 0.121 4.023 312 HG21 ILE 40 1HG2 ILE 40 0.085 1.315 0.464 313 HG22 ILE 40 2HG2 ILE 40 -1.601 1.820 0.557 314 HG23 ILE 40 3HG2 ILE 40 -1.191 0.106 0.591 315 HD11 ILE 40 3HD1 ILE 40 0.623 -2.000 2.927 316 HD12 ILE 40 1HD1 ILE 40 -0.090 -1.386 1.435 317 HD13 ILE 40 2HD1 ILE 40 -1.092 -1.593 2.871 318 H VAL 41 H VAL 41 -2.725 3.161 3.642 319 HA VAL 41 HA VAL 41 -3.378 4.759 1.271 320 HB VAL 41 HB VAL 41 -5.194 3.828 3.511 321 HG11 VAL 41 1HG1 VAL 41 -5.854 4.947 0.778 322 HG12 VAL 41 2HG1 VAL 41 -6.080 5.774 2.319 323 HG13 VAL 41 3HG1 VAL 41 -7.022 4.331 1.947 324 HG21 VAL 41 3HG2 VAL 41 -4.237 1.921 2.329 325 HG22 VAL 41 1HG2 VAL 41 -4.716 2.615 0.781 326 HG23 VAL 41 2HG2 VAL 41 -5.946 2.093 1.931 327 H ASN 42 H ASN 42 -2.541 5.216 4.579 328 HA ASN 42 HA ASN 42 -3.975 7.700 4.931 329 HB2 ASN 42 2HB ASN 42 -1.975 6.218 6.635 330 HB3 ASN 42 3HB ASN 42 -2.592 7.805 7.082 331 HD21 ASN 42 1HD2 ASN 42 -4.509 5.342 5.468 332 HD22 ASN 42 2HD2 ASN 42 -5.561 5.041 6.800 333 H LEU 43 H LEU 43 -0.604 6.803 4.248 334 HA LEU 43 HA LEU 43 0.338 9.513 4.540 335 HB2 LEU 43 2HB LEU 43 1.662 7.012 3.490 336 HB3 LEU 43 3HB LEU 43 2.475 8.565 3.567 337 HG LEU 43 HG LEU 43 1.459 6.935 5.905 338 HD11 LEU 43 1HD1 LEU 43 3.816 6.822 6.525 339 HD12 LEU 43 2HD1 LEU 43 4.251 7.748 5.090 340 HD13 LEU 43 3HD1 LEU 43 3.552 6.138 4.921 341 HD21 LEU 43 3HD2 LEU 43 2.728 9.683 5.902 342 HD22 LEU 43 1HD2 LEU 43 2.412 8.701 7.334 343 HD23 LEU 43 2HD2 LEU 43 1.068 9.297 6.361 344 HA PRO 44 HA PRO 44 -0.156 10.914 0.296 345 HB2 PRO 44 2HB PRO 44 1.841 12.772 0.226 346 HB3 PRO 44 3HB PRO 44 0.300 13.042 1.046 347 HG2 PRO 44 2HG PRO 44 2.942 12.227 2.203 348 HG3 PRO 44 3HG PRO 44 1.767 13.408 2.816 349 HD2 PRO 44 2HD PRO 44 1.966 10.891 3.812 350 HD3 PRO 44 3HD PRO 44 0.429 11.776 3.757 351 H VAL 45 H VAL 45 1.340 11.272 -1.693 352 HA VAL 45 HA VAL 45 2.452 8.817 -2.337 353 HB VAL 45 HB VAL 45 1.673 10.365 -4.044 354 HG11 VAL 45 1HG1 VAL 45 3.004 12.296 -4.744 355 HG12 VAL 45 2HG1 VAL 45 4.134 12.005 -3.422 356 HG13 VAL 45 3HG1 VAL 45 2.467 12.464 -3.072 357 HG21 VAL 45 3HG2 VAL 45 3.454 10.029 -5.692 358 HG22 VAL 45 1HG2 VAL 45 3.222 8.590 -4.698 359 HG23 VAL 45 2HG2 VAL 45 4.592 9.662 -4.396 360 H ASP 46 H ASP 46 4.230 11.756 -1.320 361 HA ASP 46 HA ASP 46 6.791 10.787 -1.962 362 HB2 ASP 46 2HB ASP 46 6.118 13.188 -1.493 363 HB3 ASP 46 3HB ASP 46 6.202 12.789 0.221 364 H ASP 47 H ASP 47 5.247 10.978 1.272 365 HA ASP 47 HA ASP 47 7.193 9.504 2.657 366 HB2 ASP 47 2HB ASP 47 4.224 9.699 3.240 367 HB3 ASP 47 3HB ASP 47 5.467 9.189 4.382 368 H PHE 48 H PHE 48 4.311 8.459 0.900 369 HA PHE 48 HA PHE 48 4.304 5.728 1.469 370 HB2 PHE 48 2HB PHE 48 2.484 6.803 0.271 371 HB3 PHE 48 3HB PHE 48 3.547 7.199 -1.070 372 HD1 PHE 48 HD2 PHE 48 1.982 4.365 0.739 373 HD2 PHE 48 HD1 PHE 48 3.842 5.699 -2.853 374 HE1 PHE 48 HE2 PHE 48 1.361 2.260 -0.364 375 HE2 PHE 48 HE1 PHE 48 3.219 3.594 -3.960 376 HZ PHE 48 HZ PHE 48 1.976 1.870 -2.715 377 H ASN 49 H ASN 49 6.099 7.501 -1.039 378 HA ASN 49 HA ASN 49 7.365 5.348 -2.293 379 HB2 ASN 49 2HB ASN 49 8.473 8.131 -1.824 380 HB3 ASN 49 3HB ASN 49 9.071 6.975 -3.012 381 HD21 ASN 49 1HD2 ASN 49 8.027 9.636 -3.411 382 HD22 ASN 49 2HD2 ASN 49 6.673 9.479 -4.470 383 H GLU 50 H GLU 50 8.453 7.292 0.489 384 HA GLU 50 HA GLU 50 10.887 5.962 0.948 385 HB2 GLU 50 2HB GLU 50 9.072 7.349 2.938 386 HB3 GLU 50 3HB GLU 50 10.738 6.876 3.250 387 HG2 GLU 50 2HG GLU 50 11.415 8.362 1.340 388 HG3 GLU 50 3HG GLU 50 9.751 8.948 1.305 389 H LEU 51 H LEU 51 7.637 5.368 2.247 390 HA LEU 51 HA LEU 51 8.105 3.329 4.040 391 HB2 LEU 51 2HB LEU 51 5.917 4.349 3.674 392 HB3 LEU 51 3HB LEU 51 5.829 3.643 2.073 393 HG LEU 51 HG LEU 51 5.751 1.381 3.103 394 HD11 LEU 51 1HD1 LEU 51 5.290 1.193 5.506 395 HD12 LEU 51 2HD1 LEU 51 5.590 2.921 5.693 396 HD13 LEU 51 3HD1 LEU 51 6.897 1.849 5.187 397 HD21 LEU 51 3HD2 LEU 51 3.442 1.564 3.932 398 HD22 LEU 51 1HD2 LEU 51 3.688 2.504 2.462 399 HD23 LEU 51 2HD2 LEU 51 3.621 3.316 4.027 400 H LEU 52 H LEU 52 7.678 3.038 0.519 401 HA LEU 52 HA LEU 52 7.887 0.228 0.353 402 HB2 LEU 52 2HB LEU 52 8.564 2.320 -1.724 403 HB3 LEU 52 3HB LEU 52 8.328 0.611 -2.047 404 HG LEU 52 HG LEU 52 6.210 2.526 -1.041 405 HD11 LEU 52 1HD1 LEU 52 6.549 1.210 -3.736 406 HD12 LEU 52 2HD1 LEU 52 6.808 2.917 -3.376 407 HD13 LEU 52 3HD1 LEU 52 5.193 2.223 -3.240 408 HD21 LEU 52 3HD2 LEU 52 5.846 0.290 -0.161 409 HD22 LEU 52 1HD2 LEU 52 6.022 -0.399 -1.776 410 HD23 LEU 52 2HD2 LEU 52 4.656 0.655 -1.409 411 H ALA 53 H ALA 53 10.340 2.730 0.501 412 HA ALA 53 HA ALA 53 12.476 0.944 -0.341 413 HB1 ALA 53 3HB ALA 53 12.636 3.785 0.670 414 HB2 ALA 53 1HB ALA 53 12.476 3.308 -1.021 415 HB3 ALA 53 2HB ALA 53 13.927 2.876 -0.116 416 H ARG 54 H ARG 54 11.256 2.305 2.655 417 HA ARG 54 HA ARG 54 13.513 1.710 4.277 418 HB2 ARG 54 2HB ARG 54 10.620 2.233 4.997 419 HB3 ARG 54 3HB ARG 54 11.920 2.105 6.174 420 HG2 ARG 54 2HG ARG 54 13.035 4.037 5.181 421 HG3 ARG 54 3HG ARG 54 11.765 4.157 3.964 422 HD2 ARG 54 2HD ARG 54 10.118 4.508 5.805 423 HD3 ARG 54 3HD ARG 54 11.465 4.530 6.945 424 HE ARG 54 HE ARG 54 12.014 6.407 4.972 425 HH11 ARG 54 1HH1 ARG 54 9.729 5.909 7.506 426 HH12 ARG 54 2HH1 ARG 54 9.391 7.597 7.673 427 HH21 ARG 54 1HH2 ARG 54 11.590 8.571 5.218 428 HH22 ARG 54 2HH2 ARG 54 10.436 9.085 6.403 429 H TYR 55 H TYR 55 10.580 -0.081 3.476 430 HA TYR 55 HA TYR 55 11.407 -2.275 5.239 431 HB2 TYR 55 2HB TYR 55 8.837 -1.758 3.732 432 HB3 TYR 55 3HB TYR 55 9.153 -3.235 4.642 433 HD1 TYR 55 HD2 TYR 55 8.730 0.434 4.951 434 HD2 TYR 55 HD1 TYR 55 8.953 -3.288 7.009 435 HE1 TYR 55 HE2 TYR 55 7.958 1.529 7.010 436 HE2 TYR 55 HE1 TYR 55 8.185 -2.198 9.072 437 HH TYR 55 HH TYR 55 8.161 0.084 10.048 438 HA PRO 56 HA PRO 56 13.073 -4.648 1.875 439 HB2 PRO 56 2HB PRO 56 12.810 -7.161 2.918 440 HB3 PRO 56 3HB PRO 56 14.048 -6.019 3.453 441 HG2 PRO 56 2HG PRO 56 11.397 -6.658 4.704 442 HG3 PRO 56 3HG PRO 56 12.981 -6.462 5.480 443 HD2 PRO 56 2HD PRO 56 11.137 -4.494 5.491 444 HD3 PRO 56 3HD PRO 56 12.875 -4.147 5.403 445 H LEU 57 H LEU 57 11.367 -4.154 0.364 446 HA LEU 57 HA LEU 57 9.255 -6.213 0.184 447 HB2 LEU 57 2HB LEU 57 9.290 -3.421 -0.976 448 HB3 LEU 57 3HB LEU 57 7.988 -4.582 -1.152 449 HG LEU 57 HG LEU 57 8.885 -3.354 1.463 450 HD11 LEU 57 1HD1 LEU 57 6.781 -2.124 1.380 451 HD12 LEU 57 2HD1 LEU 57 6.415 -2.826 -0.196 452 HD13 LEU 57 3HD1 LEU 57 7.790 -1.734 -0.013 453 HD21 LEU 57 3HD2 LEU 57 6.869 -4.403 2.392 454 HD22 LEU 57 1HD2 LEU 57 7.998 -5.605 1.767 455 HD23 LEU 57 2HD2 LEU 57 6.560 -5.181 0.839 456 H THR 58 H THR 58 8.903 -7.312 -1.711 457 HA THR 58 HA THR 58 10.950 -7.191 -3.795 458 HB THR 58 HB THR 58 9.882 -9.178 -4.730 459 HG1 THR 58 HG1 THR 58 8.011 -10.045 -3.628 460 HG21 THR 58 3HG2 THR 58 10.104 -9.397 -1.716 461 HG22 THR 58 1HG2 THR 58 11.445 -9.516 -2.858 462 HG23 THR 58 2HG2 THR 58 10.174 -10.737 -2.862 463 H GLU 59 H GLU 59 10.235 -7.181 -6.121 464 HA GLU 59 HA GLU 59 8.870 -4.888 -6.811 465 HB2 GLU 59 2HB GLU 59 9.085 -7.403 -8.477 466 HB3 GLU 59 3HB GLU 59 8.724 -5.793 -9.087 467 HG2 GLU 59 2HG GLU 59 10.937 -5.030 -8.321 468 HG3 GLU 59 3HG GLU 59 11.299 -6.669 -7.782 469 H SER 60 H SER 60 7.544 -8.183 -6.591 470 HA SER 60 HA SER 60 4.899 -7.531 -7.377 471 HB2 SER 60 2HB SER 60 5.908 -9.821 -5.661 472 HB3 SER 60 3HB SER 60 4.267 -9.698 -6.301 473 HG SER 60 HG SER 60 5.827 -10.967 -7.575 474 H GLN 61 H GLN 61 6.509 -7.465 -4.233 475 HA GLN 61 HA GLN 61 4.135 -7.008 -2.721 476 HB2 GLN 61 2HB GLN 61 7.059 -6.621 -2.100 477 HB3 GLN 61 3HB GLN 61 5.803 -6.166 -0.956 478 HG2 GLN 61 2HG GLN 61 4.987 -8.458 -0.899 479 HG3 GLN 61 3HG GLN 61 6.193 -8.935 -2.093 480 HE21 GLN 61 1HE2 GLN 61 5.746 -9.852 0.689 481 HE22 GLN 61 2HE2 GLN 61 7.248 -9.602 1.496 482 H LEU 62 H LEU 62 6.650 -4.739 -3.951 483 HA LEU 62 HA LEU 62 5.448 -2.367 -3.096 484 HB2 LEU 62 2HB LEU 62 7.058 -2.939 -5.586 485 HB3 LEU 62 3HB LEU 62 6.437 -1.339 -5.240 486 HG LEU 62 HG LEU 62 7.722 -1.605 -2.975 487 HD11 LEU 62 1HD1 LEU 62 9.191 -3.586 -4.703 488 HD12 LEU 62 2HD1 LEU 62 8.283 -3.953 -3.236 489 HD13 LEU 62 3HD1 LEU 62 9.737 -2.961 -3.145 490 HD21 LEU 62 3HD2 LEU 62 9.730 -0.651 -4.006 491 HD22 LEU 62 1HD2 LEU 62 8.266 0.047 -4.694 492 HD23 LEU 62 2HD2 LEU 62 9.170 -1.170 -5.596 493 H ALA 63 H ALA 63 4.806 -4.286 -6.005 494 HA ALA 63 HA ALA 63 2.839 -2.677 -7.176 495 HB1 ALA 63 3HB ALA 63 3.882 -4.601 -8.298 496 HB2 ALA 63 1HB ALA 63 2.120 -4.682 -8.357 497 HB3 ALA 63 2HB ALA 63 3.013 -5.692 -7.219 498 H LEU 64 H LEU 64 2.460 -5.371 -4.858 499 HA LEU 64 HA LEU 64 -0.327 -5.271 -4.612 500 HB2 LEU 64 2HB LEU 64 1.038 -7.136 -3.793 501 HB3 LEU 64 3HB LEU 64 1.726 -6.101 -2.557 502 HG LEU 64 HG LEU 64 -0.521 -5.863 -1.530 503 HD11 LEU 64 1HD1 LEU 64 -1.886 -6.243 -3.520 504 HD12 LEU 64 2HD1 LEU 64 -2.336 -7.346 -2.219 505 HD13 LEU 64 3HD1 LEU 64 -1.360 -7.925 -3.571 506 HD21 LEU 64 3HD2 LEU 64 1.004 -7.534 -0.661 507 HD22 LEU 64 1HD2 LEU 64 0.458 -8.700 -1.868 508 HD23 LEU 64 2HD2 LEU 64 -0.648 -8.146 -0.612 509 H VAL 65 H VAL 65 2.182 -3.530 -2.790 510 HA VAL 65 HA VAL 65 0.471 -2.309 -0.909 511 HB VAL 65 HB VAL 65 3.120 -1.303 -1.984 512 HG11 VAL 65 1HG1 VAL 65 1.641 -0.550 0.543 513 HG12 VAL 65 2HG1 VAL 65 1.864 0.478 -0.872 514 HG13 VAL 65 3HG1 VAL 65 3.257 -0.005 0.094 515 HG21 VAL 65 3HG2 VAL 65 2.505 -2.945 0.482 516 HG22 VAL 65 1HG2 VAL 65 4.096 -2.355 -0.006 517 HG23 VAL 65 2HG2 VAL 65 3.257 -3.550 -0.994 518 H ARG 66 H ARG 66 1.651 -1.140 -4.080 519 HA ARG 66 HA ARG 66 0.176 1.303 -4.018 520 HB2 ARG 66 2HB ARG 66 1.147 -0.229 -6.447 521 HB3 ARG 66 3HB ARG 66 0.635 1.453 -6.422 522 HG2 ARG 66 2HG ARG 66 2.528 1.930 -4.861 523 HG3 ARG 66 3HG ARG 66 3.075 0.270 -5.100 524 HD2 ARG 66 2HD ARG 66 3.130 0.765 -7.576 525 HD3 ARG 66 3HD ARG 66 2.867 2.459 -7.166 526 HE ARG 66 HE ARG 66 5.265 0.877 -6.573 527 HH11 ARG 66 1HH1 ARG 66 3.670 3.934 -6.635 528 HH12 ARG 66 2HH1 ARG 66 5.140 4.817 -6.402 529 HH21 ARG 66 1HH2 ARG 66 7.131 2.027 -6.303 530 HH22 ARG 66 2HH2 ARG 66 7.072 3.753 -6.221 531 H ASP 67 H ASP 67 -0.557 -1.954 -5.052 532 HA ASP 67 HA ASP 67 -2.934 -1.555 -6.466 533 HB2 ASP 67 2HB ASP 67 -1.701 -3.672 -6.423 534 HB3 ASP 67 3HB ASP 67 -2.060 -3.868 -4.714 535 H ILE 68 H ILE 68 -2.509 -2.344 -3.002 536 HA ILE 68 HA ILE 68 -5.210 -1.963 -2.247 537 HB ILE 68 HB ILE 68 -2.707 -1.684 -0.559 538 HG12 ILE 68 2HG1 ILE 68 -4.541 -4.068 -0.991 539 HG13 ILE 68 3HG1 ILE 68 -2.920 -3.892 -1.657 540 HG21 ILE 68 1HG2 ILE 68 -4.154 -2.068 1.370 541 HG22 ILE 68 2HG2 ILE 68 -5.568 -2.134 0.315 542 HG23 ILE 68 3HG2 ILE 68 -4.664 -0.629 0.487 543 HD11 ILE 68 3HD1 ILE 68 -2.011 -3.862 0.628 544 HD12 ILE 68 1HD1 ILE 68 -2.884 -5.351 0.259 545 HD13 ILE 68 2HD1 ILE 68 -3.641 -4.111 1.259 546 H ARG 69 H ARG 69 -2.406 0.229 -2.179 547 HA ARG 69 HA ARG 69 -3.530 2.477 -1.002 548 HB2 ARG 69 2HB ARG 69 -1.113 2.104 -1.700 549 HB3 ARG 69 3HB ARG 69 -1.588 2.546 -3.329 550 HG2 ARG 69 2HG ARG 69 -1.994 4.390 -0.984 551 HG3 ARG 69 3HG ARG 69 -0.490 4.340 -1.897 552 HD2 ARG 69 2HD ARG 69 -3.232 5.044 -2.949 553 HD3 ARG 69 3HD ARG 69 -1.871 6.140 -2.722 554 HE ARG 69 HE ARG 69 -2.200 4.166 -4.845 555 HH11 ARG 69 1HH1 ARG 69 -0.233 6.584 -3.367 556 HH12 ARG 69 2HH1 ARG 69 0.760 6.781 -4.770 557 HH21 ARG 69 1HH2 ARG 69 -0.904 4.418 -6.628 558 HH22 ARG 69 2HH2 ARG 69 0.413 5.534 -6.576 559 H ARG 70 H ARG 70 -3.636 1.472 -4.403 560 HA ARG 70 HA ARG 70 -4.933 3.686 -5.496 561 HB2 ARG 70 2HB ARG 70 -3.999 2.035 -6.954 562 HB3 ARG 70 3HB ARG 70 -4.998 0.762 -6.266 563 HG2 ARG 70 2HG ARG 70 -6.994 1.786 -7.224 564 HG3 ARG 70 3HG ARG 70 -6.017 3.099 -7.879 565 HD2 ARG 70 2HD ARG 70 -4.886 1.628 -9.376 566 HD3 ARG 70 3HD ARG 70 -5.563 0.204 -8.586 567 HE ARG 70 HE ARG 70 -7.783 1.122 -9.416 568 HH11 ARG 70 1HH1 ARG 70 -4.828 1.663 -11.104 569 HH12 ARG 70 2HH1 ARG 70 -5.597 1.740 -12.646 570 HH21 ARG 70 1HH2 ARG 70 -8.749 1.185 -11.400 571 HH22 ARG 70 2HH2 ARG 70 -7.796 1.472 -12.813 572 H ARG 71 H ARG 71 -6.482 0.612 -4.464 573 HA ARG 71 HA ARG 71 -9.121 1.497 -4.796 574 HB2 ARG 71 2HB ARG 71 -7.973 -0.642 -3.001 575 HB3 ARG 71 3HB ARG 71 -9.703 -0.375 -3.187 576 HG2 ARG 71 2HG ARG 71 -9.507 -0.812 -5.588 577 HG3 ARG 71 3HG ARG 71 -7.779 -1.099 -5.390 578 HD2 ARG 71 2HD ARG 71 -9.947 -2.682 -4.009 579 HD3 ARG 71 3HD ARG 71 -9.142 -3.180 -5.496 580 HE ARG 71 HE ARG 71 -8.038 -3.220 -2.812 581 HH11 ARG 71 1HH1 ARG 71 -7.410 -3.417 -6.201 582 HH12 ARG 71 2HH1 ARG 71 -5.894 -4.220 -5.974 583 HH21 ARG 71 1HH2 ARG 71 -6.117 -4.259 -2.547 584 HH22 ARG 71 2HH2 ARG 71 -5.173 -4.690 -3.937 585 H GLY 72 H GLY 72 -6.968 1.795 -2.021 586 HA2 GLY 72 2HA GLY 72 -8.867 2.689 -0.135 587 HA3 GLY 72 3HA GLY 72 -7.144 3.016 -0.087 588 H LYS 73 H LYS 73 -6.804 4.559 -2.373 589 HA LYS 73 HA LYS 73 -8.075 7.034 -1.478 590 HB2 LYS 73 2HB LYS 73 -5.716 6.510 -3.293 591 HB3 LYS 73 3HB LYS 73 -6.362 8.119 -2.986 592 HG2 LYS 73 2HG LYS 73 -5.995 7.662 -0.520 593 HG3 LYS 73 3HG LYS 73 -5.099 6.224 -1.012 594 HD2 LYS 73 2HD LYS 73 -3.521 7.615 -2.252 595 HD3 LYS 73 3HD LYS 73 -4.440 9.062 -1.825 596 HE2 LYS 73 2HE LYS 73 -3.999 8.571 0.575 597 HE3 LYS 73 3HE LYS 73 -2.991 7.213 0.081 598 HZ1 LYS 73 3HZ LYS 73 -1.662 9.146 0.564 599 HZ2 LYS 73 1HZ LYS 73 -2.511 10.071 -0.569 600 HZ3 LYS 73 2HZ LYS 73 -1.551 8.775 -1.081 601 H ASN 74 H ASN 74 -8.486 4.784 -4.002 602 HA ASN 74 HA ASN 74 -9.447 6.436 -6.080 603 HB2 ASN 74 2HB ASN 74 -8.924 3.990 -6.298 604 HB3 ASN 74 3HB ASN 74 -10.394 3.635 -5.396 605 HD21 ASN 74 1HD2 ASN 74 -11.397 2.552 -7.035 606 HD22 ASN 74 2HD2 ASN 74 -11.945 3.315 -8.483 607 H LYS 75 H LYS 75 -10.896 5.223 -3.145 608 HA LYS 75 HA LYS 75 -13.576 5.865 -3.466 609 HB2 LYS 75 2HB LYS 75 -12.510 4.706 -1.508 610 HB3 LYS 75 3HB LYS 75 -11.930 6.271 -0.954 611 HG2 LYS 75 2HG LYS 75 -14.247 7.042 -0.726 612 HG3 LYS 75 3HG LYS 75 -14.821 5.462 -1.268 613 HD2 LYS 75 2HD LYS 75 -13.602 4.439 0.664 614 HD3 LYS 75 3HD LYS 75 -13.234 6.067 1.233 615 HE2 LYS 75 2HE LYS 75 -15.165 5.144 2.403 616 HE3 LYS 75 3HE LYS 75 -15.629 6.542 1.432 617 HZ1 LYS 75 3HZ LYS 75 -17.162 4.598 1.306 618 HZ2 LYS 75 1HZ LYS 75 -15.946 3.738 0.506 619 HZ3 LYS 75 2HZ LYS 75 -16.599 5.136 -0.189 620 H VAL 76 H VAL 76 -10.845 7.951 -2.598 621 HA VAL 76 HA VAL 76 -12.410 10.358 -2.398 622 HB VAL 76 HB VAL 76 -9.419 10.119 -2.847 623 HG11 VAL 76 1HG1 VAL 76 -9.319 12.333 -1.787 624 HG12 VAL 76 2HG1 VAL 76 -11.078 12.358 -1.667 625 HG13 VAL 76 3HG1 VAL 76 -10.306 12.358 -3.252 626 HG21 VAL 76 3HG2 VAL 76 -10.082 8.818 -0.879 627 HG22 VAL 76 1HG2 VAL 76 -10.908 10.228 -0.217 628 HG23 VAL 76 2HG2 VAL 76 -9.155 10.248 -0.424 629 H ALA 77 H ALA 77 -10.269 8.921 -4.847 630 HA ALA 77 HA ALA 77 -10.290 10.944 -6.752 631 HB1 ALA 77 3HB ALA 77 -9.636 9.251 -8.360 632 HB2 ALA 77 1HB ALA 77 -10.200 7.974 -7.278 633 HB3 ALA 77 2HB ALA 77 -8.819 8.971 -6.821 634 H ALA 78 H ALA 78 -12.700 8.417 -6.168 635 HA ALA 78 HA ALA 78 -14.278 8.705 -8.445 636 HB1 ALA 78 3HB ALA 78 -14.575 6.923 -6.789 637 HB2 ALA 78 1HB ALA 78 -16.094 7.756 -7.125 638 HB3 ALA 78 2HB ALA 78 -15.211 8.097 -5.636 639 H GLN 79 H GLN 79 -14.137 10.693 -5.542 640 HA GLN 79 HA GLN 79 -16.408 12.323 -6.397 641 HB2 GLN 79 2HB GLN 79 -14.643 12.668 -3.961 642 HB3 GLN 79 3HB GLN 79 -16.196 13.439 -4.256 643 HG2 GLN 79 2HG GLN 79 -15.698 10.503 -3.774 644 HG3 GLN 79 3HG GLN 79 -16.467 11.643 -2.672 645 HE21 GLN 79 1HE2 GLN 79 -17.486 9.150 -3.800 646 HE22 GLN 79 2HE2 GLN 79 -18.938 9.561 -4.640 647 H ASN 80 H ASN 80 -13.191 12.223 -7.115 648 HA ASN 80 HA ASN 80 -13.129 15.095 -7.817 649 HB2 ASN 80 2HB ASN 80 -10.835 13.427 -6.740 650 HB3 ASN 80 3HB ASN 80 -10.670 15.061 -7.377 651 HD21 ASN 80 1HD2 ASN 80 -11.881 13.121 -4.752 652 HD22 ASN 80 2HD2 ASN 80 -12.139 14.425 -3.650 653 H TYR 81 H TYR 81 -13.821 12.587 -9.278 654 HA TYR 81 HA TYR 81 -11.646 11.953 -11.041 655 HB2 TYR 81 2HB TYR 81 -13.259 10.244 -10.425 656 HB3 TYR 81 3HB TYR 81 -14.578 11.200 -11.087 657 HD1 TYR 81 HD1 TYR 81 -11.348 9.633 -12.160 658 HD2 TYR 81 HD2 TYR 81 -15.330 10.709 -13.222 659 HE1 TYR 81 HE1 TYR 81 -11.077 8.495 -14.326 660 HE2 TYR 81 HE2 TYR 81 -15.070 9.580 -15.384 661 HH TYR 81 HH TYR 81 -13.292 8.900 -16.902 662 H ARG 82 H ARG 82 -14.653 13.832 -11.341 663 HA ARG 82 HA ARG 82 -14.012 14.438 -14.112 664 HB2 ARG 82 2HB ARG 82 -16.386 15.118 -12.394 665 HB3 ARG 82 3HB ARG 82 -16.172 15.775 -14.010 666 HG2 ARG 82 2HG ARG 82 -16.316 12.832 -13.349 667 HG3 ARG 82 3HG ARG 82 -17.654 13.807 -13.958 668 HD2 ARG 82 2HD ARG 82 -16.715 12.627 -15.817 669 HD3 ARG 82 3HD ARG 82 -16.264 14.321 -15.981 670 HE ARG 82 HE ARG 82 -14.385 12.358 -14.849 671 HH11 ARG 82 1HH1 ARG 82 -15.136 14.764 -17.207 672 HH12 ARG 82 2HH1 ARG 82 -13.533 14.773 -17.859 673 HH21 ARG 82 1HH2 ARG 82 -12.332 12.389 -15.696 674 HH22 ARG 82 2HH2 ARG 82 -11.967 13.443 -17.016 675 H LYS 83 H LYS 83 -12.036 15.520 -13.589 676 HA LYS 83 HA LYS 83 -12.164 18.221 -12.580 677 HB2 LYS 83 2HB LYS 83 -9.806 18.333 -13.514 678 HB3 LYS 83 3HB LYS 83 -10.083 17.108 -12.285 679 HG2 LYS 83 2HG LYS 83 -10.313 15.414 -14.075 680 HG3 LYS 83 3HG LYS 83 -9.916 16.654 -15.264 681 HD2 LYS 83 2HD LYS 83 -7.719 16.950 -14.289 682 HD3 LYS 83 3HD LYS 83 -8.116 15.845 -12.970 683 HE2 LYS 83 2HE LYS 83 -8.310 13.999 -14.550 684 HE3 LYS 83 3HE LYS 83 -7.994 15.096 -15.895 685 HZ1 LYS 83 3HZ LYS 83 -6.025 13.842 -15.251 686 HZ2 LYS 83 1HZ LYS 83 -6.091 14.492 -13.692 687 HZ3 LYS 83 2HZ LYS 83 -5.792 15.497 -15.018 688 H ARG 84 H ARG 84 -12.570 20.050 -13.727 689 HA ARG 84 HA ARG 84 -13.710 19.650 -16.355 690 HB2 ARG 84 2HB ARG 84 -13.522 22.210 -14.758 691 HB3 ARG 84 3HB ARG 84 -14.596 21.884 -16.115 692 HG2 ARG 84 2HG ARG 84 -15.700 20.117 -14.777 693 HG3 ARG 84 3HG ARG 84 -14.667 20.542 -13.412 694 HD2 ARG 84 2HD ARG 84 -16.739 21.631 -13.054 695 HD3 ARG 84 3HD ARG 84 -15.606 22.877 -13.573 696 HE ARG 84 HE ARG 84 -16.992 21.875 -15.815 697 HH11 ARG 84 1HH1 ARG 84 -17.466 23.847 -13.032 698 HH12 ARG 84 2HH1 ARG 84 -18.812 24.684 -13.716 699 HH21 ARG 84 1HH2 ARG 84 -18.696 22.988 -16.703 700 HH22 ARG 84 2HH2 ARG 84 -19.490 24.218 -15.780 701 H LYS 85 H LYS 85 -13.171 20.824 -18.256 702 HA LYS 85 HA LYS 85 -10.480 21.987 -18.370 703 HB2 LYS 85 2HB LYS 85 -10.122 19.604 -18.704 704 HB3 LYS 85 3HB LYS 85 -11.375 19.554 -19.934 705 HG2 LYS 85 2HG LYS 85 -10.004 20.991 -21.383 706 HG3 LYS 85 3HG LYS 85 -8.740 21.013 -20.149 707 HD2 LYS 85 2HD LYS 85 -8.388 18.643 -20.378 708 HD3 LYS 85 3HD LYS 85 -9.790 18.485 -21.437 709 HE2 LYS 85 2HE LYS 85 -7.728 18.418 -22.725 710 HE3 LYS 85 3HE LYS 85 -8.660 19.858 -23.127 711 HZ1 LYS 85 3HZ LYS 85 -7.210 21.165 -21.733 712 HZ2 LYS 85 1HZ LYS 85 -6.295 20.322 -22.876 713 HZ3 LYS 85 2HZ LYS 85 -6.344 19.789 -21.273 714 H LEU 86 H LEU 86 -10.991 23.937 -19.208 715 HA LEU 86 HA LEU 86 -13.009 24.225 -21.284 716 HB2 LEU 86 2HB LEU 86 -11.290 26.236 -19.826 717 HB3 LEU 86 3HB LEU 86 -12.398 26.678 -21.109 718 HG LEU 86 HG LEU 86 -13.433 27.151 -18.995 719 HD11 LEU 86 1HD1 LEU 86 -15.481 25.827 -19.153 720 HD12 LEU 86 2HD1 LEU 86 -14.662 24.677 -20.212 721 HD13 LEU 86 3HD1 LEU 86 -14.916 26.341 -20.743 722 HD21 LEU 86 3HD2 LEU 86 -13.870 25.455 -17.303 723 HD22 LEU 86 1HD2 LEU 86 -12.137 25.621 -17.582 724 HD23 LEU 86 2HD2 LEU 86 -13.012 24.248 -18.262 725 H GLU 87 H GLU 87 -12.625 25.167 -23.358 726 HA GLU 87 HA GLU 87 -10.308 24.224 -24.686 727 HB2 GLU 87 2HB GLU 87 -12.365 26.250 -25.605 728 HB3 GLU 87 3HB GLU 87 -11.156 25.507 -26.642 729 HG2 GLU 87 2HG GLU 87 -12.147 23.303 -26.193 730 HG3 GLU 87 3HG GLU 87 -13.380 24.079 -25.197 731 H THR 88 H THR 88 -8.316 25.055 -24.278 732 HA THR 88 HA THR 88 -7.985 27.987 -24.337 733 HB THR 88 HB THR 88 -6.062 25.826 -23.423 734 HG1 THR 88 HG1 THR 88 -7.539 27.866 -22.076 735 HG21 THR 88 3HG2 THR 88 -5.661 28.823 -23.554 736 HG22 THR 88 1HG2 THR 88 -4.795 27.610 -24.496 737 HG23 THR 88 2HG2 THR 88 -4.578 27.688 -22.747 738 H ILE 89 H ILE 89 -7.790 28.662 -26.397 739 HA ILE 89 HA ILE 89 -6.958 26.919 -28.498 740 HB ILE 89 HB ILE 89 -7.390 29.910 -28.639 741 HG12 ILE 89 2HG1 ILE 89 -9.357 27.648 -29.110 742 HG13 ILE 89 3HG1 ILE 89 -9.360 28.722 -27.716 743 HG21 ILE 89 1HG2 ILE 89 -7.457 27.794 -30.802 744 HG22 ILE 89 2HG2 ILE 89 -6.188 28.998 -30.572 745 HG23 ILE 89 3HG2 ILE 89 -7.816 29.507 -31.021 746 HD11 ILE 89 3HD1 ILE 89 -9.843 30.615 -29.172 747 HD12 ILE 89 1HD1 ILE 89 -11.056 29.347 -29.340 748 HD13 ILE 89 2HD1 ILE 89 -9.817 29.551 -30.579 749 H VAL 90 H VAL 90 -4.829 26.324 -27.912 750 HA VAL 90 HA VAL 90 -2.665 28.175 -27.791 751 HB VAL 90 HB VAL 90 -2.477 25.951 -26.807 752 HG11 VAL 90 1HG1 VAL 90 -2.622 24.892 -29.634 753 HG12 VAL 90 2HG1 VAL 90 -3.840 24.683 -28.376 754 HG13 VAL 90 3HG1 VAL 90 -2.253 23.937 -28.199 755 HG21 VAL 90 3HG2 VAL 90 -0.409 27.040 -27.454 756 HG22 VAL 90 1HG2 VAL 90 -0.528 26.361 -29.078 757 HG23 VAL 90 2HG2 VAL 90 -0.272 25.298 -27.693 758 H GLN 91 H GLN 91 -1.124 28.711 -29.389 759 HA GLN 91 HA GLN 91 -2.184 28.581 -32.116 760 HB2 GLN 91 2HB GLN 91 -0.072 30.284 -32.338 761 HB3 GLN 91 3HB GLN 91 -1.711 30.772 -31.950 762 HG2 GLN 91 2HG GLN 91 -0.209 31.877 -30.461 763 HG3 GLN 91 3HG GLN 91 -1.130 30.687 -29.546 764 HE21 GLN 91 1HE2 GLN 91 1.996 31.505 -30.839 765 HE22 GLN 91 2HE2 GLN 91 2.896 30.372 -29.897 Start of MODEL 11 1 H1 MET 1 1H MET 1 -19.115 15.409 16.660 2 H2 MET 1 2H MET 1 -19.295 14.667 15.154 3 H3 MET 1 3H MET 1 -19.222 16.353 15.263 4 HA MET 1 HA MET 1 -17.030 14.489 15.960 5 HB2 MET 1 2HB MET 1 -15.915 15.330 13.932 6 HB3 MET 1 3HB MET 1 -17.434 14.537 13.549 7 HG2 MET 1 2HG MET 1 -18.516 16.748 13.365 8 HG3 MET 1 3HG MET 1 -16.956 17.510 13.667 9 HE1 MET 1 3HE MET 1 -18.755 18.202 11.121 10 HE2 MET 1 1HE MET 1 -17.524 18.240 9.860 11 HE3 MET 1 2HE MET 1 -17.184 18.938 11.443 12 H GLY 2 H GLY 2 -15.153 15.435 16.768 13 HA2 GLY 2 2HA GLY 2 -15.471 18.094 17.919 14 HA3 GLY 2 3HA GLY 2 -14.172 16.956 18.245 15 H HIS 3 H HIS 3 -14.310 19.907 17.386 16 HA HIS 3 HA HIS 3 -12.996 19.896 14.798 17 HB2 HIS 3 2HB HIS 3 -13.559 22.173 16.714 18 HB3 HIS 3 3HB HIS 3 -12.927 22.355 15.078 19 HD1 HIS 3 HD1 HIS 3 -15.899 23.006 16.618 20 HD2 HIS 3 HD2 HIS 3 -14.982 20.587 13.366 21 HE1 HIS 3 HE1 HIS 3 -18.041 22.745 15.349 22 HE2 HIS 3 HE2 HIS 3 -17.511 21.098 13.526 23 H HIS 4 H HIS 4 -11.821 18.887 17.551 24 HA HIS 4 HA HIS 4 -9.097 19.705 16.838 25 HB2 HIS 4 2HB HIS 4 -10.256 19.825 19.634 26 HB3 HIS 4 3HB HIS 4 -8.525 19.794 19.322 27 HD1 HIS 4 HD1 HIS 4 -7.472 21.924 18.260 28 HD2 HIS 4 HD2 HIS 4 -11.522 22.265 19.135 29 HE1 HIS 4 HE1 HIS 4 -7.994 24.374 18.092 30 HE2 HIS 4 HE2 HIS 4 -10.396 24.570 18.806 31 H HIS 5 H HIS 5 -7.541 18.103 17.147 32 HA HIS 5 HA HIS 5 -8.588 15.410 17.306 33 HB2 HIS 5 2HB HIS 5 -6.905 16.038 15.609 34 HB3 HIS 5 3HB HIS 5 -5.746 16.371 16.889 35 HD1 HIS 5 HD1 HIS 5 -7.443 13.551 15.105 36 HD2 HIS 5 HD2 HIS 5 -4.542 14.117 18.022 37 HE1 HIS 5 HE1 HIS 5 -6.354 11.312 15.409 38 HE2 HIS 5 HE2 HIS 5 -4.530 11.708 17.091 39 H HIS 6 H HIS 6 -9.040 14.701 19.328 40 HA HIS 6 HA HIS 6 -7.361 15.378 21.586 41 HB2 HIS 6 2HB HIS 6 -9.771 13.555 21.361 42 HB3 HIS 6 3HB HIS 6 -8.945 13.929 22.873 43 HD1 HIS 6 HD1 HIS 6 -9.677 16.012 24.067 44 HD2 HIS 6 HD2 HIS 6 -10.989 15.910 20.123 45 HE1 HIS 6 HE1 HIS 6 -11.180 17.999 23.807 46 HE2 HIS 6 HE2 HIS 6 -12.061 17.849 21.456 47 H HIS 7 H HIS 7 -6.888 13.368 23.134 48 HA HIS 7 HA HIS 7 -5.279 11.816 23.546 49 HB2 HIS 7 2HB HIS 7 -6.943 10.275 22.608 50 HB3 HIS 7 3HB HIS 7 -6.350 10.593 20.984 51 HD1 HIS 7 HD1 HIS 7 -4.501 9.598 24.169 52 HD2 HIS 7 HD2 HIS 7 -4.994 8.383 20.229 53 HE1 HIS 7 HE1 HIS 7 -2.942 7.662 23.865 54 HE2 HIS 7 HE2 HIS 7 -3.091 7.099 21.421 55 H HIS 8 H HIS 8 -4.520 14.182 22.127 56 HA HIS 8 HA HIS 8 -2.617 13.483 20.089 57 HB2 HIS 8 2HB HIS 8 -1.896 15.940 20.409 58 HB3 HIS 8 3HB HIS 8 -3.510 15.619 19.794 59 HD1 HIS 8 HD1 HIS 8 -5.187 17.113 20.797 60 HD2 HIS 8 HD2 HIS 8 -2.119 16.262 23.475 61 HE1 HIS 8 HE1 HIS 8 -5.730 18.399 22.881 62 HE2 HIS 8 HE2 HIS 8 -3.966 17.726 24.539 63 H SER 9 H SER 9 -1.582 11.825 21.506 64 HA SER 9 HA SER 9 0.970 12.729 22.398 65 HB2 SER 9 2HB SER 9 -0.193 13.401 24.418 66 HB3 SER 9 3HB SER 9 -0.988 11.833 24.534 67 HG SER 9 HG SER 9 1.431 12.586 25.455 68 H HIS 10 H HIS 10 2.284 10.889 23.330 69 HA HIS 10 HA HIS 10 1.221 8.253 22.526 70 HB2 HIS 10 2HB HIS 10 3.418 7.567 21.744 71 HB3 HIS 10 3HB HIS 10 2.901 9.007 20.879 72 HD1 HIS 10 HD1 HIS 10 5.186 8.034 23.747 73 HD2 HIS 10 HD2 HIS 10 4.744 11.027 20.895 74 HE1 HIS 10 HE1 HIS 10 7.243 9.456 23.940 75 HE2 HIS 10 HE2 HIS 10 7.049 11.119 22.067 76 H MET 11 H MET 11 1.471 9.747 25.153 77 HA MET 11 HA MET 11 3.301 8.296 26.774 78 HB2 MET 11 2HB MET 11 0.765 9.796 27.467 79 HB3 MET 11 3HB MET 11 1.830 9.087 28.675 80 HG2 MET 11 2HG MET 11 2.580 11.229 26.688 81 HG3 MET 11 3HG MET 11 2.267 11.463 28.408 82 HE1 MET 11 3HE MET 11 3.616 8.873 29.663 83 HE2 MET 11 1HE MET 11 3.831 10.485 30.345 84 HE3 MET 11 2HE MET 11 5.235 9.464 30.031 85 H ALA 12 H ALA 12 0.003 7.654 25.727 86 HA ALA 12 HA ALA 12 -0.286 5.298 27.376 87 HB1 ALA 12 3HB ALA 12 -2.250 6.618 26.748 88 HB2 ALA 12 1HB ALA 12 -2.387 4.958 26.167 89 HB3 ALA 12 2HB ALA 12 -1.958 6.255 25.048 90 H LYS 13 H LYS 13 0.407 3.295 26.887 91 HA LYS 13 HA LYS 13 2.097 2.993 24.579 92 HB2 LYS 13 2HB LYS 13 1.405 1.034 26.774 93 HB3 LYS 13 3HB LYS 13 2.652 0.786 25.558 94 HG2 LYS 13 2HG LYS 13 2.612 2.983 27.630 95 HG3 LYS 13 3HG LYS 13 3.599 1.523 27.686 96 HD2 LYS 13 2HD LYS 13 3.758 3.685 25.576 97 HD3 LYS 13 3HD LYS 13 4.891 3.462 26.910 98 HE2 LYS 13 2HE LYS 13 5.441 1.217 26.017 99 HE3 LYS 13 3HE LYS 13 4.369 1.523 24.651 100 HZ1 LYS 13 3HZ LYS 13 5.764 3.403 24.032 101 HZ2 LYS 13 1HZ LYS 13 6.665 1.971 24.085 102 HZ3 LYS 13 2HZ LYS 13 6.793 3.096 25.339 103 HA PRO 14 HA PRO 14 -1.027 0.678 22.252 104 HB2 PRO 14 2HB PRO 14 -0.192 1.388 19.808 105 HB3 PRO 14 3HB PRO 14 -1.063 2.523 20.844 106 HG2 PRO 14 2HG PRO 14 1.826 2.424 20.164 107 HG3 PRO 14 3HG PRO 14 0.811 3.822 20.554 108 HD2 PRO 14 2HD PRO 14 2.577 2.417 22.304 109 HD3 PRO 14 3HD PRO 14 1.456 3.725 22.728 110 H THR 15 H THR 15 -0.625 -1.491 22.337 111 HA THR 15 HA THR 15 1.648 -2.553 20.780 112 HB THR 15 HB THR 15 1.996 -4.333 22.496 113 HG1 THR 15 HG1 THR 15 0.894 -4.325 24.347 114 HG21 THR 15 3HG2 THR 15 3.262 -2.951 24.077 115 HG22 THR 15 1HG2 THR 15 2.409 -1.515 23.515 116 HG23 THR 15 2HG2 THR 15 3.489 -2.383 22.424 117 H ALA 16 H ALA 16 -0.938 -4.010 22.782 118 HA ALA 16 HA ALA 16 -1.333 -6.232 21.136 119 HB1 ALA 16 3HB ALA 16 -2.070 -6.076 23.480 120 HB2 ALA 16 1HB ALA 16 -3.358 -6.630 22.406 121 HB3 ALA 16 2HB ALA 16 -3.351 -4.965 22.990 122 H ARG 17 H ARG 17 -1.745 -5.973 18.995 123 HA ARG 17 HA ARG 17 -3.792 -4.097 18.088 124 HB2 ARG 17 2HB ARG 17 -2.056 -5.999 16.491 125 HB3 ARG 17 3HB ARG 17 -3.098 -4.751 15.824 126 HG2 ARG 17 2HG ARG 17 -0.641 -4.317 17.524 127 HG3 ARG 17 3HG ARG 17 -0.783 -4.039 15.789 128 HD2 ARG 17 2HD ARG 17 -0.987 -1.904 16.723 129 HD3 ARG 17 3HD ARG 17 -2.653 -2.381 16.394 130 HE ARG 17 HE ARG 17 -1.697 -2.941 19.072 131 HH11 ARG 17 1HH1 ARG 17 -3.368 -0.731 17.023 132 HH12 ARG 17 2HH1 ARG 17 -4.155 0.063 18.343 133 HH21 ARG 17 1HH2 ARG 17 -2.709 -1.910 20.755 134 HH22 ARG 17 2HH2 ARG 17 -3.762 -0.577 20.432 135 H GLY 18 H GLY 18 -5.533 -4.797 16.649 136 HA2 GLY 18 2HA GLY 18 -6.467 -7.548 17.271 137 HA3 GLY 18 3HA GLY 18 -7.542 -6.160 17.226 138 H GLU 19 H GLU 19 -7.101 -8.819 15.628 139 HA GLU 19 HA GLU 19 -6.565 -8.057 12.945 140 HB2 GLU 19 2HB GLU 19 -8.057 -10.469 14.007 141 HB3 GLU 19 3HB GLU 19 -7.519 -10.273 12.347 142 HG2 GLU 19 2HG GLU 19 -5.169 -10.152 13.193 143 HG3 GLU 19 3HG GLU 19 -5.785 -10.535 14.799 144 H ALA 20 H ALA 20 -7.890 -7.481 11.277 145 HA ALA 20 HA ALA 20 -10.753 -7.051 11.888 146 HB1 ALA 20 3HB ALA 20 -10.726 -5.286 10.199 147 HB2 ALA 20 1HB ALA 20 -9.026 -5.617 9.862 148 HB3 ALA 20 2HB ALA 20 -9.508 -4.987 11.438 149 H GLY 21 H GLY 21 -8.856 -7.398 8.862 150 HA2 GLY 21 2HA GLY 21 -8.792 -9.376 7.562 151 HA3 GLY 21 3HA GLY 21 -10.268 -9.919 8.330 152 H SER 22 H SER 22 -9.399 -6.979 6.438 153 HA SER 22 HA SER 22 -11.712 -7.404 4.701 154 HB2 SER 22 2HB SER 22 -9.532 -5.294 4.695 155 HB3 SER 22 3HB SER 22 -10.802 -5.375 3.475 156 HG SER 22 HG SER 22 -11.400 -3.946 5.106 157 H ARG 23 H ARG 23 -11.546 -7.807 2.408 158 HA ARG 23 HA ARG 23 -9.796 -9.752 1.531 159 HB2 ARG 23 2HB ARG 23 -10.994 -7.575 -0.201 160 HB3 ARG 23 3HB ARG 23 -10.428 -9.145 -0.754 161 HG2 ARG 23 2HG ARG 23 -12.198 -10.255 0.476 162 HG3 ARG 23 3HG ARG 23 -12.725 -8.712 1.153 163 HD2 ARG 23 2HD ARG 23 -12.781 -9.523 -1.755 164 HD3 ARG 23 3HD ARG 23 -14.170 -9.331 -0.686 165 HE ARG 23 HE ARG 23 -12.417 -7.070 -1.408 166 HH11 ARG 23 1HH1 ARG 23 -15.555 -8.448 -1.055 167 HH12 ARG 23 2HH1 ARG 23 -16.366 -6.981 -1.487 168 HH21 ARG 23 1HH2 ARG 23 -13.477 -5.192 -1.944 169 HH22 ARG 23 2HH2 ARG 23 -15.204 -5.159 -1.982 170 H ASP 24 H ASP 24 -9.480 -6.253 1.152 171 HA ASP 24 HA ASP 24 -7.031 -6.073 -0.140 172 HB2 ASP 24 2HB ASP 24 -8.334 -4.112 0.125 173 HB3 ASP 24 3HB ASP 24 -8.424 -4.308 1.872 174 H GLU 25 H GLU 25 -7.553 -5.919 3.409 175 HA GLU 25 HA GLU 25 -4.891 -5.925 4.208 176 HB2 GLU 25 2HB GLU 25 -7.252 -7.167 5.641 177 HB3 GLU 25 3HB GLU 25 -5.703 -6.790 6.380 178 HG2 GLU 25 2HG GLU 25 -6.080 -4.402 5.908 179 HG3 GLU 25 3HG GLU 25 -7.650 -4.804 5.215 180 H ARG 26 H ARG 26 -6.989 -8.703 3.503 181 HA ARG 26 HA ARG 26 -5.243 -10.689 4.487 182 HB2 ARG 26 2HB ARG 26 -7.398 -10.937 2.375 183 HB3 ARG 26 3HB ARG 26 -6.610 -12.287 3.190 184 HG2 ARG 26 2HG ARG 26 -7.461 -11.288 5.369 185 HG3 ARG 26 3HG ARG 26 -8.455 -10.219 4.377 186 HD2 ARG 26 2HD ARG 26 -9.781 -12.113 5.034 187 HD3 ARG 26 3HD ARG 26 -9.453 -12.233 3.306 188 HE ARG 26 HE ARG 26 -7.673 -13.678 5.103 189 HH11 ARG 26 1HH1 ARG 26 -10.337 -13.793 2.916 190 HH12 ARG 26 2HH1 ARG 26 -10.212 -15.505 2.695 191 HH21 ARG 26 1HH2 ARG 26 -7.523 -15.869 4.797 192 HH22 ARG 26 2HH2 ARG 26 -8.638 -16.660 3.737 193 H ARG 27 H ARG 27 -5.517 -9.197 1.283 194 HA ARG 27 HA ARG 27 -3.619 -10.828 -0.031 195 HB2 ARG 27 2HB ARG 27 -4.381 -7.934 -0.486 196 HB3 ARG 27 3HB ARG 27 -3.306 -8.833 -1.548 197 HG2 ARG 27 2HG ARG 27 -6.192 -9.507 -0.974 198 HG3 ARG 27 3HG ARG 27 -5.568 -8.748 -2.440 199 HD2 ARG 27 2HD ARG 27 -4.186 -10.760 -2.852 200 HD3 ARG 27 3HD ARG 27 -4.915 -11.522 -1.438 201 HE ARG 27 HE ARG 27 -6.923 -10.661 -3.226 202 HH11 ARG 27 1HH1 ARG 27 -4.496 -13.084 -2.903 203 HH12 ARG 27 2HH1 ARG 27 -5.369 -14.231 -3.860 204 HH21 ARG 27 1HH2 ARG 27 -8.015 -12.145 -4.479 205 HH22 ARG 27 2HH2 ARG 27 -7.320 -13.708 -4.746 206 H ALA 28 H ALA 28 -3.266 -7.995 2.041 207 HA ALA 28 HA ALA 28 -0.501 -7.565 1.643 208 HB1 ALA 28 3HB ALA 28 -0.594 -6.228 3.665 209 HB2 ALA 28 1HB ALA 28 -2.153 -6.935 4.090 210 HB3 ALA 28 2HB ALA 28 -2.008 -5.911 2.661 211 H LEU 29 H LEU 29 -2.200 -9.305 4.288 212 HA LEU 29 HA LEU 29 0.226 -10.204 5.483 213 HB2 LEU 29 2HB LEU 29 -1.229 -11.648 6.875 214 HB3 LEU 29 3HB LEU 29 -1.689 -9.957 6.871 215 HG LEU 29 HG LEU 29 -3.407 -10.706 5.035 216 HD11 LEU 29 1HD1 LEU 29 -2.900 -13.326 6.443 217 HD12 LEU 29 2HD1 LEU 29 -2.588 -12.974 4.744 218 HD13 LEU 29 3HD1 LEU 29 -4.243 -12.984 5.349 219 HD21 LEU 29 3HD2 LEU 29 -3.750 -11.356 7.966 220 HD22 LEU 29 1HD2 LEU 29 -5.063 -11.179 6.797 221 HD23 LEU 29 2HD2 LEU 29 -4.038 -9.798 7.187 222 H ALA 30 H ALA 30 -1.772 -11.511 2.946 223 HA ALA 30 HA ALA 30 -0.760 -14.151 2.903 224 HB1 ALA 30 3HB ALA 30 -1.529 -14.223 0.584 225 HB2 ALA 30 1HB ALA 30 -1.720 -12.468 0.579 226 HB3 ALA 30 2HB ALA 30 -2.736 -13.464 1.622 227 H MET 31 H MET 31 0.403 -11.142 1.456 228 HA MET 31 HA MET 31 2.823 -12.466 0.457 229 HB2 MET 31 2HB MET 31 1.767 -9.651 0.123 230 HB3 MET 31 3HB MET 31 3.297 -10.210 -0.544 231 HG2 MET 31 2HG MET 31 0.600 -11.383 -1.207 232 HG3 MET 31 3HG MET 31 1.450 -10.183 -2.183 233 HE1 MET 31 3HE MET 31 3.749 -10.638 -3.423 234 HE2 MET 31 1HE MET 31 4.638 -12.159 -3.313 235 HE3 MET 31 2HE MET 31 4.477 -11.129 -1.893 236 H LYS 32 H LYS 32 1.943 -11.485 3.360 237 HA LYS 32 HA LYS 32 2.952 -10.798 5.264 238 HB2 LYS 32 2HB LYS 32 5.489 -11.539 3.792 239 HB3 LYS 32 3HB LYS 32 5.337 -11.319 5.531 240 HG2 LYS 32 2HG LYS 32 3.753 -13.208 5.612 241 HG3 LYS 32 3HG LYS 32 3.964 -13.440 3.876 242 HD2 LYS 32 2HD LYS 32 5.396 -15.020 4.867 243 HD3 LYS 32 3HD LYS 32 6.456 -13.701 4.376 244 HE2 LYS 32 2HE LYS 32 5.379 -14.129 7.166 245 HE3 LYS 32 3HE LYS 32 6.993 -14.578 6.621 246 HZ1 LYS 32 3HZ LYS 32 7.327 -12.173 6.098 247 HZ2 LYS 32 1HZ LYS 32 7.168 -12.524 7.743 248 HZ3 LYS 32 2HZ LYS 32 5.874 -11.844 6.896 249 H ILE 33 H ILE 33 2.181 -8.600 4.464 250 HA ILE 33 HA ILE 33 4.369 -6.728 3.953 251 HB ILE 33 HB ILE 33 1.382 -6.271 4.170 252 HG12 ILE 33 2HG1 ILE 33 2.039 -7.514 2.161 253 HG13 ILE 33 3HG1 ILE 33 1.505 -5.893 1.731 254 HG21 ILE 33 1HG2 ILE 33 3.569 -4.319 3.447 255 HG22 ILE 33 2HG2 ILE 33 2.557 -4.272 4.891 256 HG23 ILE 33 3HG2 ILE 33 1.840 -4.007 3.301 257 HD11 ILE 33 3HD1 ILE 33 4.358 -6.846 1.908 258 HD12 ILE 33 1HD1 ILE 33 3.854 -5.200 1.517 259 HD13 ILE 33 2HD1 ILE 33 3.441 -6.531 0.434 260 HA PRO 34 HA PRO 34 4.636 -6.176 8.413 261 HB2 PRO 34 2HB PRO 34 6.928 -4.787 8.476 262 HB3 PRO 34 3HB PRO 34 6.898 -6.494 8.020 263 HG2 PRO 34 2HG PRO 34 7.031 -4.069 6.260 264 HG3 PRO 34 3HG PRO 34 7.952 -5.582 6.149 265 HD2 PRO 34 2HD PRO 34 5.725 -5.021 4.637 266 HD3 PRO 34 3HD PRO 34 6.257 -6.665 5.040 267 H PHE 35 H PHE 35 3.069 -4.164 6.674 268 HA PHE 35 HA PHE 35 2.851 -2.189 8.760 269 HB2 PHE 35 2HB PHE 35 3.023 -0.251 7.084 270 HB3 PHE 35 3HB PHE 35 4.522 -0.987 7.630 271 HD1 PHE 35 HD2 PHE 35 2.199 -0.652 4.791 272 HD2 PHE 35 HD1 PHE 35 5.964 -2.138 6.111 273 HE1 PHE 35 HE2 PHE 35 2.877 -1.005 2.451 274 HE2 PHE 35 HE1 PHE 35 6.648 -2.489 3.775 275 HZ PHE 35 HZ PHE 35 5.102 -1.926 1.944 276 HA PRO 36 HA PRO 36 -1.376 -2.574 7.738 277 HB2 PRO 36 2HB PRO 36 -2.396 -0.220 8.679 278 HB3 PRO 36 3HB PRO 36 -1.856 -1.537 9.727 279 HG2 PRO 36 2HG PRO 36 -0.395 0.959 8.923 280 HG3 PRO 36 3HG PRO 36 -0.527 0.205 10.525 281 HD2 PRO 36 2HD PRO 36 1.660 -0.111 8.975 282 HD3 PRO 36 3HD PRO 36 1.070 -1.407 10.039 283 H THR 37 H THR 37 -2.718 -2.277 6.055 284 HA THR 37 HA THR 37 -1.903 -0.785 3.799 285 HB THR 37 HB THR 37 -4.041 -1.428 2.781 286 HG1 THR 37 HG1 THR 37 -5.558 -2.607 4.061 287 HG21 THR 37 3HG2 THR 37 -2.242 -3.099 2.842 288 HG22 THR 37 1HG2 THR 37 -3.824 -3.869 2.972 289 HG23 THR 37 2HG2 THR 37 -2.818 -3.674 4.408 290 H ASP 38 H ASP 38 -4.253 -0.121 6.339 291 HA ASP 38 HA ASP 38 -5.560 2.111 5.427 292 HB2 ASP 38 2HB ASP 38 -4.389 1.806 8.205 293 HB3 ASP 38 3HB ASP 38 -5.759 2.816 7.752 294 H LYS 39 H LYS 39 -2.369 2.052 7.006 295 HA LYS 39 HA LYS 39 -1.833 4.809 6.809 296 HB2 LYS 39 2HB LYS 39 -0.573 3.412 8.331 297 HB3 LYS 39 3HB LYS 39 0.050 2.443 7.002 298 HG2 LYS 39 2HG LYS 39 1.320 4.335 6.171 299 HG3 LYS 39 3HG LYS 39 0.644 5.372 7.425 300 HD2 LYS 39 2HD LYS 39 2.335 2.921 7.959 301 HD3 LYS 39 3HD LYS 39 2.957 4.570 7.908 302 HE2 LYS 39 2HE LYS 39 1.374 5.161 9.742 303 HE3 LYS 39 3HE LYS 39 0.915 3.461 9.839 304 HZ1 LYS 39 3HZ LYS 39 3.189 2.905 10.396 305 HZ2 LYS 39 1HZ LYS 39 2.591 4.053 11.486 306 HZ3 LYS 39 2HZ LYS 39 3.654 4.522 10.259 307 H ILE 40 H ILE 40 -1.055 2.112 4.612 308 HA ILE 40 HA ILE 40 0.497 3.410 2.712 309 HB ILE 40 HB ILE 40 -1.634 1.314 2.209 310 HG12 ILE 40 2HG1 ILE 40 1.342 0.976 2.702 311 HG13 ILE 40 3HG1 ILE 40 0.077 0.636 3.879 312 HG21 ILE 40 1HG2 ILE 40 0.704 2.153 0.491 313 HG22 ILE 40 2HG2 ILE 40 -1.007 2.379 0.131 314 HG23 ILE 40 3HG2 ILE 40 -0.325 0.753 0.187 315 HD11 ILE 40 3HD1 ILE 40 0.889 -1.400 2.835 316 HD12 ILE 40 1HD1 ILE 40 0.459 -0.775 1.245 317 HD13 ILE 40 2HD1 ILE 40 -0.802 -1.119 2.423 318 H VAL 41 H VAL 41 -3.036 3.306 2.980 319 HA VAL 41 HA VAL 41 -3.493 4.825 0.582 320 HB VAL 41 HB VAL 41 -5.411 4.205 2.842 321 HG11 VAL 41 1HG1 VAL 41 -6.215 6.040 1.462 322 HG12 VAL 41 2HG1 VAL 41 -7.170 4.590 1.153 323 HG13 VAL 41 3HG1 VAL 41 -5.936 5.095 -0.000 324 HG21 VAL 41 3HG2 VAL 41 -4.936 2.715 0.255 325 HG22 VAL 41 1HG2 VAL 41 -6.171 2.339 1.455 326 HG23 VAL 41 2HG2 VAL 41 -4.464 2.166 1.863 327 H ASN 42 H ASN 42 -3.207 5.611 4.004 328 HA ASN 42 HA ASN 42 -4.333 8.257 3.731 329 HB2 ASN 42 2HB ASN 42 -2.918 6.860 6.005 330 HB3 ASN 42 3HB ASN 42 -3.463 8.530 6.109 331 HD21 ASN 42 1HD2 ASN 42 -5.190 5.978 4.425 332 HD22 ASN 42 2HD2 ASN 42 -6.534 5.940 5.500 333 H LEU 43 H LEU 43 -1.061 6.920 3.738 334 HA LEU 43 HA LEU 43 0.288 9.395 4.137 335 HB2 LEU 43 2HB LEU 43 1.221 6.788 2.933 336 HB3 LEU 43 3HB LEU 43 2.281 8.159 3.190 337 HG LEU 43 HG LEU 43 0.846 6.585 5.334 338 HD11 LEU 43 1HD1 LEU 43 3.109 5.931 6.007 339 HD12 LEU 43 2HD1 LEU 43 3.772 6.805 4.625 340 HD13 LEU 43 3HD1 LEU 43 2.734 5.401 4.367 341 HD21 LEU 43 3HD2 LEU 43 2.690 8.970 5.592 342 HD22 LEU 43 1HD2 LEU 43 2.105 7.978 6.930 343 HD23 LEU 43 2HD2 LEU 43 0.969 8.932 5.976 344 HA PRO 44 HA PRO 44 0.236 11.010 -0.073 345 HB2 PRO 44 2HB PRO 44 2.281 12.766 0.110 346 HB3 PRO 44 3HB PRO 44 0.729 13.057 0.907 347 HG2 PRO 44 2HG PRO 44 3.284 11.993 2.067 348 HG3 PRO 44 3HG PRO 44 2.175 13.210 2.732 349 HD2 PRO 44 2HD PRO 44 2.178 10.595 3.521 350 HD3 PRO 44 3HD PRO 44 0.725 11.612 3.550 351 H VAL 45 H VAL 45 1.804 11.222 -1.951 352 HA VAL 45 HA VAL 45 3.091 8.810 -2.461 353 HB VAL 45 HB VAL 45 2.372 10.350 -4.240 354 HG11 VAL 45 1HG1 VAL 45 3.075 12.464 -3.247 355 HG12 VAL 45 2HG1 VAL 45 3.739 12.283 -4.871 356 HG13 VAL 45 3HG1 VAL 45 4.769 12.019 -3.463 357 HG21 VAL 45 3HG2 VAL 45 5.307 9.626 -4.367 358 HG22 VAL 45 1HG2 VAL 45 4.294 10.033 -5.753 359 HG23 VAL 45 2HG2 VAL 45 3.950 8.588 -4.804 360 H ASP 46 H ASP 46 4.411 11.769 -1.088 361 HA ASP 46 HA ASP 46 7.146 11.263 -1.275 362 HB2 ASP 46 2HB ASP 46 5.682 12.653 0.986 363 HB3 ASP 46 3HB ASP 46 7.382 12.856 0.561 364 H ASP 47 H ASP 47 5.140 10.705 1.653 365 HA ASP 47 HA ASP 47 6.998 9.085 3.003 366 HB2 ASP 47 2HB ASP 47 3.978 9.202 3.234 367 HB3 ASP 47 3HB ASP 47 5.022 8.334 4.358 368 H PHE 48 H PHE 48 4.483 8.254 0.676 369 HA PHE 48 HA PHE 48 4.400 5.478 0.995 370 HB2 PHE 48 2HB PHE 48 2.767 6.707 -0.347 371 HB3 PHE 48 3HB PHE 48 4.013 7.141 -1.512 372 HD1 PHE 48 HD2 PHE 48 2.256 4.215 -0.032 373 HD2 PHE 48 HD1 PHE 48 4.423 5.764 -3.356 374 HE1 PHE 48 HE2 PHE 48 1.742 2.180 -1.312 375 HE2 PHE 48 HE1 PHE 48 3.911 3.730 -4.639 376 HZ PHE 48 HZ PHE 48 2.573 1.934 -3.619 377 H ASN 49 H ASN 49 6.375 7.383 -1.293 378 HA ASN 49 HA ASN 49 7.833 5.282 -2.409 379 HB2 ASN 49 2HB ASN 49 8.676 8.147 -1.911 380 HB3 ASN 49 3HB ASN 49 9.542 7.021 -2.950 381 HD21 ASN 49 1HD2 ASN 49 8.149 9.580 -3.496 382 HD22 ASN 49 2HD2 ASN 49 7.042 9.219 -4.771 383 H GLU 50 H GLU 50 8.563 7.258 0.465 384 HA GLU 50 HA GLU 50 11.015 6.083 1.162 385 HB2 GLU 50 2HB GLU 50 8.868 7.199 2.989 386 HB3 GLU 50 3HB GLU 50 10.529 6.866 3.462 387 HG2 GLU 50 2HG GLU 50 11.295 8.539 1.802 388 HG3 GLU 50 3HG GLU 50 9.606 8.915 1.452 389 H LEU 51 H LEU 51 7.710 5.208 2.094 390 HA LEU 51 HA LEU 51 8.233 3.186 3.929 391 HB2 LEU 51 2HB LEU 51 6.025 4.228 3.461 392 HB3 LEU 51 3HB LEU 51 5.947 3.344 1.951 393 HG LEU 51 HG LEU 51 5.903 1.214 3.208 394 HD11 LEU 51 1HD1 LEU 51 5.559 1.235 5.633 395 HD12 LEU 51 2HD1 LEU 51 5.789 2.983 5.655 396 HD13 LEU 51 3HD1 LEU 51 7.125 1.923 5.200 397 HD21 LEU 51 3HD2 LEU 51 3.626 1.457 4.091 398 HD22 LEU 51 1HD2 LEU 51 3.808 2.269 2.536 399 HD23 LEU 51 2HD2 LEU 51 3.786 3.212 4.028 400 H LEU 52 H LEU 52 7.836 2.928 0.395 401 HA LEU 52 HA LEU 52 8.194 0.120 0.234 402 HB2 LEU 52 2HB LEU 52 8.612 2.282 -1.832 403 HB3 LEU 52 3HB LEU 52 8.683 0.568 -2.186 404 HG LEU 52 HG LEU 52 6.253 2.072 -1.197 405 HD11 LEU 52 1HD1 LEU 52 6.884 0.843 -3.884 406 HD12 LEU 52 2HD1 LEU 52 6.761 2.564 -3.520 407 HD13 LEU 52 3HD1 LEU 52 5.333 1.538 -3.414 408 HD21 LEU 52 3HD2 LEU 52 6.575 -0.842 -1.928 409 HD22 LEU 52 1HD2 LEU 52 5.053 -0.040 -1.537 410 HD23 LEU 52 2HD2 LEU 52 6.306 -0.201 -0.308 411 H ALA 53 H ALA 53 10.489 2.766 0.336 412 HA ALA 53 HA ALA 53 12.723 1.135 -0.522 413 HB1 ALA 53 3HB ALA 53 12.711 3.923 0.630 414 HB2 ALA 53 1HB ALA 53 12.602 3.520 -1.084 415 HB3 ALA 53 2HB ALA 53 14.063 3.131 -0.179 416 H ARG 54 H ARG 54 11.409 2.294 2.522 417 HA ARG 54 HA ARG 54 13.707 1.769 4.118 418 HB2 ARG 54 2HB ARG 54 10.805 2.184 4.844 419 HB3 ARG 54 3HB ARG 54 12.089 2.040 6.035 420 HG2 ARG 54 2HG ARG 54 13.186 4.025 5.084 421 HG3 ARG 54 3HG ARG 54 11.881 4.170 3.906 422 HD2 ARG 54 2HD ARG 54 10.279 4.417 5.795 423 HD3 ARG 54 3HD ARG 54 11.646 4.403 6.910 424 HE ARG 54 HE ARG 54 11.798 6.407 4.836 425 HH11 ARG 54 1HH1 ARG 54 10.853 5.693 8.071 426 HH12 ARG 54 2HH1 ARG 54 10.734 7.355 8.516 427 HH21 ARG 54 1HH2 ARG 54 11.645 8.549 5.438 428 HH22 ARG 54 2HH2 ARG 54 11.179 8.938 7.056 429 H TYR 55 H TYR 55 10.650 -0.055 3.694 430 HA TYR 55 HA TYR 55 11.672 -2.236 5.323 431 HB2 TYR 55 2HB TYR 55 9.063 -1.809 3.868 432 HB3 TYR 55 3HB TYR 55 9.455 -3.320 4.682 433 HD1 TYR 55 HD2 TYR 55 8.783 0.280 5.194 434 HD2 TYR 55 HD1 TYR 55 9.373 -3.503 7.064 435 HE1 TYR 55 HE2 TYR 55 7.980 1.211 7.327 436 HE2 TYR 55 HE1 TYR 55 8.570 -2.583 9.193 437 HH TYR 55 HH TYR 55 8.399 -0.334 10.282 438 HA PRO 56 HA PRO 56 13.452 -4.362 1.833 439 HB2 PRO 56 2HB PRO 56 14.085 -6.695 3.038 440 HB3 PRO 56 3HB PRO 56 14.956 -5.195 3.382 441 HG2 PRO 56 2HG PRO 56 12.774 -6.520 4.957 442 HG3 PRO 56 3HG PRO 56 14.277 -5.777 5.536 443 HD2 PRO 56 2HD PRO 56 11.854 -4.512 5.609 444 HD3 PRO 56 3HD PRO 56 13.399 -3.648 5.459 445 H LEU 57 H LEU 57 11.472 -4.491 0.615 446 HA LEU 57 HA LEU 57 9.937 -6.994 0.916 447 HB2 LEU 57 2HB LEU 57 9.224 -4.456 -0.573 448 HB3 LEU 57 3HB LEU 57 8.197 -5.866 -0.401 449 HG LEU 57 HG LEU 57 9.101 -4.088 1.873 450 HD11 LEU 57 1HD1 LEU 57 6.417 -4.288 0.499 451 HD12 LEU 57 2HD1 LEU 57 7.545 -2.935 0.394 452 HD13 LEU 57 3HD1 LEU 57 6.776 -3.323 1.934 453 HD21 LEU 57 3HD2 LEU 57 7.102 -6.350 1.853 454 HD22 LEU 57 1HD2 LEU 57 7.503 -5.319 3.225 455 HD23 LEU 57 2HD2 LEU 57 8.716 -6.414 2.561 456 H THR 58 H THR 58 9.325 -8.153 -1.041 457 HA THR 58 HA THR 58 11.353 -8.184 -3.112 458 HB THR 58 HB THR 58 10.131 -10.036 -4.089 459 HG1 THR 58 HG1 THR 58 8.085 -10.658 -3.155 460 HG21 THR 58 3HG2 THR 58 10.104 -10.248 -1.069 461 HG22 THR 58 1HG2 THR 58 11.484 -10.573 -2.121 462 HG23 THR 58 2HG2 THR 58 10.055 -11.603 -2.198 463 H GLU 59 H GLU 59 10.831 -7.953 -5.430 464 HA GLU 59 HA GLU 59 9.644 -5.538 -6.069 465 HB2 GLU 59 2HB GLU 59 10.026 -7.960 -7.843 466 HB3 GLU 59 3HB GLU 59 9.598 -6.361 -8.435 467 HG2 GLU 59 2HG GLU 59 11.707 -5.484 -7.461 468 HG3 GLU 59 3HG GLU 59 12.137 -7.131 -7.002 469 H SER 60 H SER 60 8.145 -8.739 -6.028 470 HA SER 60 HA SER 60 5.624 -8.013 -7.065 471 HB2 SER 60 2HB SER 60 6.375 -10.216 -5.125 472 HB3 SER 60 3HB SER 60 4.784 -10.058 -5.867 473 HG SER 60 HG SER 60 5.863 -10.214 -7.925 474 H GLN 61 H GLN 61 6.876 -7.983 -3.733 475 HA GLN 61 HA GLN 61 4.420 -7.319 -2.491 476 HB2 GLN 61 2HB GLN 61 7.260 -6.824 -1.574 477 HB3 GLN 61 3HB GLN 61 5.838 -6.583 -0.569 478 HG2 GLN 61 2HG GLN 61 5.290 -8.977 -0.806 479 HG3 GLN 61 3HG GLN 61 6.758 -9.202 -1.755 480 HE21 GLN 61 1HE2 GLN 61 5.448 -8.679 1.405 481 HE22 GLN 61 2HE2 GLN 61 6.903 -8.963 2.280 482 H LEU 62 H LEU 62 7.120 -5.217 -3.601 483 HA LEU 62 HA LEU 62 5.968 -2.765 -2.859 484 HB2 LEU 62 2HB LEU 62 7.822 -3.430 -5.148 485 HB3 LEU 62 3HB LEU 62 7.294 -1.794 -4.812 486 HG LEU 62 HG LEU 62 8.289 -2.167 -2.452 487 HD11 LEU 62 1HD1 LEU 62 10.105 -3.765 -2.318 488 HD12 LEU 62 2HD1 LEU 62 9.743 -4.341 -3.948 489 HD13 LEU 62 3HD1 LEU 62 8.578 -4.588 -2.645 490 HD21 LEU 62 3HD2 LEU 62 10.101 -1.981 -4.864 491 HD22 LEU 62 1HD2 LEU 62 10.516 -1.494 -3.218 492 HD23 LEU 62 2HD2 LEU 62 9.247 -0.640 -4.096 493 H ALA 63 H ALA 63 5.566 -4.659 -5.837 494 HA ALA 63 HA ALA 63 3.868 -2.888 -7.213 495 HB1 ALA 63 3HB ALA 63 4.923 -4.800 -8.297 496 HB2 ALA 63 1HB ALA 63 3.174 -4.851 -8.516 497 HB3 ALA 63 2HB ALA 63 3.947 -5.908 -7.332 498 H LEU 64 H LEU 64 3.106 -5.551 -4.978 499 HA LEU 64 HA LEU 64 0.323 -5.397 -5.014 500 HB2 LEU 64 2HB LEU 64 1.507 -7.206 -3.906 501 HB3 LEU 64 3HB LEU 64 2.183 -6.088 -2.735 502 HG LEU 64 HG LEU 64 -0.146 -5.638 -1.911 503 HD11 LEU 64 1HD1 LEU 64 -1.391 -6.288 -3.890 504 HD12 LEU 64 2HD1 LEU 64 -1.911 -7.234 -2.495 505 HD13 LEU 64 3HD1 LEU 64 -0.849 -7.957 -3.705 506 HD21 LEU 64 3HD2 LEU 64 1.338 -7.185 -0.741 507 HD22 LEU 64 1HD2 LEU 64 0.781 -8.508 -1.766 508 HD23 LEU 64 2HD2 LEU 64 -0.340 -7.722 -0.654 509 H VAL 65 H VAL 65 2.605 -3.735 -2.829 510 HA VAL 65 HA VAL 65 0.766 -2.265 -1.339 511 HB VAL 65 HB VAL 65 3.583 -1.461 -2.116 512 HG11 VAL 65 1HG1 VAL 65 1.841 -0.475 0.145 513 HG12 VAL 65 2HG1 VAL 65 2.336 0.448 -1.271 514 HG13 VAL 65 3HG1 VAL 65 3.541 -0.067 -0.092 515 HG21 VAL 65 3HG2 VAL 65 4.230 -2.430 0.044 516 HG22 VAL 65 1HG2 VAL 65 3.501 -3.637 -1.015 517 HG23 VAL 65 2HG2 VAL 65 2.564 -2.950 0.309 518 H ARG 66 H ARG 66 2.219 -1.510 -4.491 519 HA ARG 66 HA ARG 66 1.088 1.092 -4.708 520 HB2 ARG 66 2HB ARG 66 2.019 -0.828 -6.855 521 HB3 ARG 66 3HB ARG 66 1.548 0.842 -7.156 522 HG2 ARG 66 2HG ARG 66 3.343 1.558 -5.566 523 HG3 ARG 66 3HG ARG 66 3.864 -0.125 -5.489 524 HD2 ARG 66 2HD ARG 66 4.271 -0.109 -7.907 525 HD3 ARG 66 3HD ARG 66 3.745 1.573 -7.987 526 HE ARG 66 HE ARG 66 6.192 0.604 -6.656 527 HH11 ARG 66 1HH1 ARG 66 4.403 3.148 -8.149 528 HH12 ARG 66 2HH1 ARG 66 5.701 4.282 -8.010 529 HH21 ARG 66 1HH2 ARG 66 7.853 2.080 -6.520 530 HH22 ARG 66 2HH2 ARG 66 7.620 3.685 -7.120 531 H ASP 67 H ASP 67 -0.088 -2.130 -5.632 532 HA ASP 67 HA ASP 67 -2.461 -1.251 -6.924 533 HB2 ASP 67 2HB ASP 67 -1.551 -3.549 -7.158 534 HB3 ASP 67 3HB ASP 67 -1.969 -3.872 -5.477 535 H ILE 68 H ILE 68 -1.756 -2.170 -3.568 536 HA ILE 68 HA ILE 68 -4.286 -1.856 -2.439 537 HB ILE 68 HB ILE 68 -1.584 -1.258 -1.209 538 HG12 ILE 68 2HG1 ILE 68 -3.329 -3.736 -1.061 539 HG13 ILE 68 3HG1 ILE 68 -1.861 -3.580 -2.020 540 HG21 ILE 68 1HG2 ILE 68 -3.360 -0.157 0.058 541 HG22 ILE 68 2HG2 ILE 68 -2.684 -1.505 0.971 542 HG23 ILE 68 3HG2 ILE 68 -4.244 -1.681 0.165 543 HD11 ILE 68 3HD1 ILE 68 -1.446 -4.821 0.013 544 HD12 ILE 68 1HD1 ILE 68 -2.034 -3.472 0.983 545 HD13 ILE 68 2HD1 ILE 68 -0.559 -3.297 0.029 546 H ARG 69 H ARG 69 -1.709 0.570 -2.858 547 HA ARG 69 HA ARG 69 -3.060 2.799 -1.837 548 HB2 ARG 69 2HB ARG 69 -0.664 2.804 -2.349 549 HB3 ARG 69 3HB ARG 69 -1.014 2.656 -4.066 550 HG2 ARG 69 2HG ARG 69 -2.144 4.873 -3.975 551 HG3 ARG 69 3HG ARG 69 -1.633 5.018 -2.290 552 HD2 ARG 69 2HD ARG 69 0.709 4.862 -2.979 553 HD3 ARG 69 3HD ARG 69 0.210 4.690 -4.663 554 HE ARG 69 HE ARG 69 -0.571 7.110 -3.205 555 HH11 ARG 69 1HH1 ARG 69 1.392 5.624 -5.619 556 HH12 ARG 69 2HH1 ARG 69 1.823 7.126 -6.354 557 HH21 ARG 69 1HH2 ARG 69 0.026 9.043 -4.158 558 HH22 ARG 69 2HH2 ARG 69 1.069 9.024 -5.542 559 H ARG 70 H ARG 70 -2.989 1.498 -5.140 560 HA ARG 70 HA ARG 70 -4.485 3.546 -6.374 561 HB2 ARG 70 2HB ARG 70 -3.074 1.949 -7.602 562 HB3 ARG 70 3HB ARG 70 -4.173 0.646 -7.184 563 HG2 ARG 70 2HG ARG 70 -4.515 1.377 -9.474 564 HG3 ARG 70 3HG ARG 70 -5.944 1.697 -8.492 565 HD2 ARG 70 2HD ARG 70 -5.354 4.038 -8.313 566 HD3 ARG 70 3HD ARG 70 -3.832 3.750 -9.156 567 HE ARG 70 HE ARG 70 -4.979 3.615 -11.168 568 HH11 ARG 70 1HH1 ARG 70 -7.203 3.885 -8.552 569 HH12 ARG 70 2HH1 ARG 70 -8.543 4.230 -9.587 570 HH21 ARG 70 1HH2 ARG 70 -6.698 4.133 -12.479 571 HH22 ARG 70 2HH2 ARG 70 -8.251 4.430 -11.773 572 H ARG 71 H ARG 71 -5.539 0.353 -5.139 573 HA ARG 71 HA ARG 71 -8.298 0.859 -5.774 574 HB2 ARG 71 2HB ARG 71 -8.761 -1.272 -4.709 575 HB3 ARG 71 3HB ARG 71 -7.367 -1.421 -5.767 576 HG2 ARG 71 2HG ARG 71 -5.900 -1.216 -3.759 577 HG3 ARG 71 3HG ARG 71 -7.349 -1.244 -2.755 578 HD2 ARG 71 2HD ARG 71 -7.932 -3.451 -3.712 579 HD3 ARG 71 3HD ARG 71 -6.428 -3.424 -4.632 580 HE ARG 71 HE ARG 71 -6.278 -3.213 -1.715 581 HH11 ARG 71 1HH1 ARG 71 -5.690 -5.013 -4.582 582 HH12 ARG 71 2HH1 ARG 71 -4.803 -6.247 -3.762 583 HH21 ARG 71 1HH2 ARG 71 -5.128 -4.759 -0.672 584 HH22 ARG 71 2HH2 ARG 71 -4.482 -6.098 -1.555 585 H GLY 72 H GLY 72 -6.289 1.248 -2.932 586 HA2 GLY 72 2HA GLY 72 -8.378 1.620 -1.040 587 HA3 GLY 72 3HA GLY 72 -6.711 2.142 -0.857 588 H LYS 73 H LYS 73 -6.373 3.990 -2.826 589 HA LYS 73 HA LYS 73 -7.779 6.261 -1.856 590 HB2 LYS 73 2HB LYS 73 -5.477 6.333 -2.830 591 HB3 LYS 73 3HB LYS 73 -6.168 6.020 -4.415 592 HG2 LYS 73 2HG LYS 73 -5.670 8.386 -4.121 593 HG3 LYS 73 3HG LYS 73 -7.402 8.122 -4.313 594 HD2 LYS 73 2HD LYS 73 -7.019 9.748 -2.560 595 HD3 LYS 73 3HD LYS 73 -7.671 8.270 -1.855 596 HE2 LYS 73 2HE LYS 73 -5.888 9.127 -0.459 597 HE3 LYS 73 3HE LYS 73 -5.382 7.608 -1.195 598 HZ1 LYS 73 3HZ LYS 73 -4.106 8.837 -2.811 599 HZ2 LYS 73 1HZ LYS 73 -3.643 9.299 -1.252 600 HZ3 LYS 73 2HZ LYS 73 -4.637 10.310 -2.174 601 H ASN 74 H ASN 74 -8.360 4.024 -4.469 602 HA ASN 74 HA ASN 74 -10.215 5.377 -6.030 603 HB2 ASN 74 2HB ASN 74 -9.373 3.129 -6.560 604 HB3 ASN 74 3HB ASN 74 -10.252 2.464 -5.190 605 HD21 ASN 74 1HD2 ASN 74 -11.488 1.085 -6.385 606 HD22 ASN 74 2HD2 ASN 74 -12.721 1.615 -7.474 607 H LYS 75 H LYS 75 -10.605 3.940 -2.846 608 HA LYS 75 HA LYS 75 -13.372 4.018 -2.518 609 HB2 LYS 75 2HB LYS 75 -11.797 3.016 -0.904 610 HB3 LYS 75 3HB LYS 75 -11.206 4.614 -0.483 611 HG2 LYS 75 2HG LYS 75 -12.704 3.848 1.228 612 HG3 LYS 75 3HG LYS 75 -13.456 5.192 0.363 613 HD2 LYS 75 2HD LYS 75 -14.828 3.645 -0.912 614 HD3 LYS 75 3HD LYS 75 -14.023 2.267 -0.158 615 HE2 LYS 75 2HE LYS 75 -14.885 2.962 2.028 616 HE3 LYS 75 3HE LYS 75 -15.684 4.344 1.277 617 HZ1 LYS 75 3HZ LYS 75 -16.250 1.501 0.649 618 HZ2 LYS 75 1HZ LYS 75 -17.049 2.843 0.005 619 HZ3 LYS 75 2HZ LYS 75 -17.194 2.481 1.649 620 H VAL 76 H VAL 76 -10.978 6.594 -2.179 621 HA VAL 76 HA VAL 76 -12.993 8.558 -1.387 622 HB VAL 76 HB VAL 76 -10.007 8.894 -1.782 623 HG11 VAL 76 1HG1 VAL 76 -12.023 10.731 -0.479 624 HG12 VAL 76 2HG1 VAL 76 -11.169 11.016 -1.996 625 HG13 VAL 76 3HG1 VAL 76 -10.275 10.967 -0.477 626 HG21 VAL 76 3HG2 VAL 76 -9.859 8.810 0.667 627 HG22 VAL 76 1HG2 VAL 76 -10.504 7.308 0.003 628 HG23 VAL 76 2HG2 VAL 76 -11.589 8.476 0.759 629 H ALA 77 H ALA 77 -11.491 7.456 -4.248 630 HA ALA 77 HA ALA 77 -10.951 9.608 -5.815 631 HB1 ALA 77 3HB ALA 77 -10.598 7.294 -6.503 632 HB2 ALA 77 1HB ALA 77 -11.429 8.218 -7.757 633 HB3 ALA 77 2HB ALA 77 -12.336 7.095 -6.741 634 H ALA 78 H ALA 78 -14.224 8.203 -5.439 635 HA ALA 78 HA ALA 78 -15.564 9.876 -7.241 636 HB1 ALA 78 3HB ALA 78 -17.609 9.243 -6.083 637 HB2 ALA 78 1HB ALA 78 -16.669 8.654 -4.711 638 HB3 ALA 78 2HB ALA 78 -16.550 7.847 -6.275 639 H GLN 79 H GLN 79 -14.774 10.390 -3.831 640 HA GLN 79 HA GLN 79 -16.262 12.863 -3.663 641 HB2 GLN 79 2HB GLN 79 -14.259 11.718 -1.704 642 HB3 GLN 79 3HB GLN 79 -15.422 12.998 -1.383 643 HG2 GLN 79 2HG GLN 79 -16.039 10.106 -1.966 644 HG3 GLN 79 3HG GLN 79 -16.191 10.930 -0.418 645 HE21 GLN 79 1HE2 GLN 79 -17.915 12.380 -0.114 646 HE22 GLN 79 2HE2 GLN 79 -19.287 12.388 -1.163 647 H ASN 80 H ASN 80 -12.921 11.905 -4.141 648 HA ASN 80 HA ASN 80 -11.828 14.552 -3.912 649 HB2 ASN 80 2HB ASN 80 -10.474 12.561 -3.438 650 HB3 ASN 80 3HB ASN 80 -10.663 12.016 -5.101 651 HD21 ASN 80 1HD2 ASN 80 -9.456 12.965 -6.701 652 HD22 ASN 80 2HD2 ASN 80 -8.141 14.032 -6.376 653 H TYR 81 H TYR 81 -13.444 12.814 -6.379 654 HA TYR 81 HA TYR 81 -12.393 13.905 -8.729 655 HB2 TYR 81 2HB TYR 81 -14.088 12.011 -8.444 656 HB3 TYR 81 3HB TYR 81 -15.317 13.259 -8.279 657 HD1 TYR 81 HD1 TYR 81 -12.757 11.892 -10.595 658 HD2 TYR 81 HD2 TYR 81 -16.268 14.269 -10.200 659 HE1 TYR 81 HE1 TYR 81 -12.981 11.956 -13.041 660 HE2 TYR 81 HE2 TYR 81 -16.500 14.341 -12.647 661 HH TYR 81 HH TYR 81 -14.871 12.279 -14.705 662 H ARG 82 H ARG 82 -13.319 15.583 -10.140 663 HA ARG 82 HA ARG 82 -14.066 17.669 -10.632 664 HB2 ARG 82 2HB ARG 82 -15.652 17.305 -8.089 665 HB3 ARG 82 3HB ARG 82 -15.716 18.791 -9.024 666 HG2 ARG 82 2HG ARG 82 -16.423 16.056 -10.078 667 HG3 ARG 82 3HG ARG 82 -17.579 17.271 -9.529 668 HD2 ARG 82 2HD ARG 82 -16.753 18.816 -11.261 669 HD3 ARG 82 3HD ARG 82 -15.640 17.570 -11.826 670 HE ARG 82 HE ARG 82 -18.013 16.326 -11.994 671 HH11 ARG 82 1HH1 ARG 82 -16.938 19.395 -13.119 672 HH12 ARG 82 2HH1 ARG 82 -18.063 19.429 -14.429 673 HH21 ARG 82 1HH2 ARG 82 -19.428 16.361 -13.693 674 HH22 ARG 82 2HH2 ARG 82 -19.467 17.734 -14.744 675 H LYS 83 H LYS 83 -11.726 17.044 -8.760 676 HA LYS 83 HA LYS 83 -11.325 19.699 -7.586 677 HB2 LYS 83 2HB LYS 83 -10.676 17.678 -6.294 678 HB3 LYS 83 3HB LYS 83 -9.514 17.265 -7.546 679 HG2 LYS 83 2HG LYS 83 -8.199 19.214 -7.065 680 HG3 LYS 83 3HG LYS 83 -9.429 19.825 -5.957 681 HD2 LYS 83 2HD LYS 83 -7.616 18.851 -4.682 682 HD3 LYS 83 3HD LYS 83 -9.058 17.851 -4.504 683 HE2 LYS 83 2HE LYS 83 -8.162 16.316 -6.225 684 HE3 LYS 83 3HE LYS 83 -6.702 17.303 -6.316 685 HZ1 LYS 83 3HZ LYS 83 -7.672 15.773 -3.964 686 HZ2 LYS 83 1HZ LYS 83 -6.362 16.839 -3.923 687 HZ3 LYS 83 2HZ LYS 83 -6.297 15.454 -4.884 688 H ARG 84 H ARG 84 -10.351 21.275 -8.711 689 HA ARG 84 HA ARG 84 -9.093 20.619 -11.280 690 HB2 ARG 84 2HB ARG 84 -10.132 23.210 -10.126 691 HB3 ARG 84 3HB ARG 84 -9.292 23.109 -11.666 692 HG2 ARG 84 2HG ARG 84 -11.040 21.675 -12.559 693 HG3 ARG 84 3HG ARG 84 -11.872 21.691 -11.002 694 HD2 ARG 84 2HD ARG 84 -12.320 24.035 -11.180 695 HD3 ARG 84 3HD ARG 84 -11.274 24.183 -12.592 696 HE ARG 84 HE ARG 84 -12.972 22.676 -13.711 697 HH11 ARG 84 1HH1 ARG 84 -13.826 24.778 -11.122 698 HH12 ARG 84 2HH1 ARG 84 -15.438 25.008 -11.691 699 HH21 ARG 84 1HH2 ARG 84 -15.041 23.004 -14.446 700 HH22 ARG 84 2HH2 ARG 84 -16.115 24.035 -13.565 701 H LYS 85 H LYS 85 -7.248 22.039 -11.983 702 HA LYS 85 HA LYS 85 -5.251 22.364 -9.869 703 HB2 LYS 85 2HB LYS 85 -5.002 22.777 -12.861 704 HB3 LYS 85 3HB LYS 85 -3.680 22.771 -11.704 705 HG2 LYS 85 2HG LYS 85 -4.170 20.401 -11.201 706 HG3 LYS 85 3HG LYS 85 -5.426 20.427 -12.445 707 HD2 LYS 85 2HD LYS 85 -2.470 20.931 -12.866 708 HD3 LYS 85 3HD LYS 85 -3.361 19.481 -13.338 709 HE2 LYS 85 2HE LYS 85 -4.660 20.733 -14.942 710 HE3 LYS 85 3HE LYS 85 -3.966 22.254 -14.383 711 HZ1 LYS 85 3HZ LYS 85 -2.949 21.486 -16.440 712 HZ2 LYS 85 1HZ LYS 85 -2.445 20.060 -15.682 713 HZ3 LYS 85 2HZ LYS 85 -1.816 21.549 -15.188 714 H LEU 86 H LEU 86 -5.356 24.263 -8.773 715 HA LEU 86 HA LEU 86 -6.352 26.658 -10.169 716 HB2 LEU 86 2HB LEU 86 -6.039 26.176 -7.200 717 HB3 LEU 86 3HB LEU 86 -6.802 27.566 -7.949 718 HG LEU 86 HG LEU 86 -7.816 24.717 -8.057 719 HD11 LEU 86 1HD1 LEU 86 -9.665 25.566 -6.690 720 HD12 LEU 86 2HD1 LEU 86 -8.872 27.140 -6.598 721 HD13 LEU 86 3HD1 LEU 86 -8.113 25.727 -5.863 722 HD21 LEU 86 3HD2 LEU 86 -8.350 25.897 -10.117 723 HD22 LEU 86 1HD2 LEU 86 -9.002 27.255 -9.198 724 HD23 LEU 86 2HD2 LEU 86 -9.804 25.685 -9.144 725 H GLU 87 H GLU 87 -4.110 26.730 -11.178 726 HA GLU 87 HA GLU 87 -2.012 27.799 -9.484 727 HB2 GLU 87 2HB GLU 87 -2.193 27.400 -12.475 728 HB3 GLU 87 3HB GLU 87 -0.810 28.151 -11.696 729 HG2 GLU 87 2HG GLU 87 -0.267 25.877 -12.096 730 HG3 GLU 87 3HG GLU 87 -0.506 26.065 -10.362 731 H THR 88 H THR 88 -1.128 29.883 -9.596 732 HA THR 88 HA THR 88 -2.705 31.970 -10.944 733 HB THR 88 HB THR 88 -3.643 31.876 -8.698 734 HG1 THR 88 HG1 THR 88 -3.682 33.967 -9.067 735 HG21 THR 88 3HG2 THR 88 -0.819 32.318 -7.714 736 HG22 THR 88 1HG2 THR 88 -1.758 30.835 -7.527 737 HG23 THR 88 2HG2 THR 88 -2.270 32.315 -6.710 738 H ILE 89 H ILE 89 -1.527 34.214 -10.395 739 HA ILE 89 HA ILE 89 1.089 33.987 -11.558 740 HB ILE 89 HB ILE 89 -0.315 36.439 -10.457 741 HG12 ILE 89 2HG1 ILE 89 -1.595 35.390 -12.260 742 HG13 ILE 89 3HG1 ILE 89 -0.887 36.903 -12.814 743 HG21 ILE 89 1HG2 ILE 89 2.100 36.773 -10.627 744 HG22 ILE 89 2HG2 ILE 89 1.250 37.727 -11.840 745 HG23 ILE 89 3HG2 ILE 89 2.067 36.235 -12.307 746 HD11 ILE 89 3HD1 ILE 89 0.884 35.639 -13.952 747 HD12 ILE 89 1HD1 ILE 89 -0.726 35.201 -14.523 748 HD13 ILE 89 2HD1 ILE 89 0.135 34.134 -13.415 749 H VAL 90 H VAL 90 3.087 34.303 -10.627 750 HA VAL 90 HA VAL 90 3.320 35.188 -7.872 751 HB VAL 90 HB VAL 90 2.895 32.807 -7.560 752 HG11 VAL 90 1HG1 VAL 90 5.293 32.342 -9.333 753 HG12 VAL 90 2HG1 VAL 90 3.615 31.951 -9.712 754 HG13 VAL 90 3HG1 VAL 90 4.448 31.100 -8.411 755 HG21 VAL 90 3HG2 VAL 90 4.854 32.233 -6.229 756 HG22 VAL 90 1HG2 VAL 90 4.442 33.935 -6.021 757 HG23 VAL 90 2HG2 VAL 90 5.802 33.474 -7.051 758 H GLN 91 H GLN 91 5.132 36.326 -7.568 759 HA GLN 91 HA GLN 91 7.053 36.592 -9.712 760 HB2 GLN 91 2HB GLN 91 6.347 38.587 -8.539 761 HB3 GLN 91 3HB GLN 91 6.866 37.922 -6.999 762 HG2 GLN 91 2HG GLN 91 8.420 39.609 -7.830 763 HG3 GLN 91 3HG GLN 91 9.190 38.030 -7.699 764 HE21 GLN 91 1HE2 GLN 91 9.796 36.955 -9.573 765 HE22 GLN 91 2HE2 GLN 91 9.886 37.741 -11.108 Start of MODEL 12 1 H1 MET 1 1H MET 1 33.527 -44.911 27.649 2 H2 MET 1 2H MET 1 32.956 -46.291 28.445 3 H3 MET 1 3H MET 1 34.620 -46.025 28.298 4 HA MET 1 HA MET 1 33.874 -45.538 30.528 5 HB2 MET 1 2HB MET 1 34.819 -43.274 30.719 6 HB3 MET 1 3HB MET 1 35.769 -44.285 29.640 7 HG2 MET 1 2HG MET 1 33.811 -42.145 28.832 8 HG3 MET 1 3HG MET 1 35.571 -42.067 28.726 9 HE1 MET 1 3HE MET 1 33.552 -41.466 26.290 10 HE2 MET 1 1HE MET 1 34.395 -42.277 24.969 11 HE3 MET 1 2HE MET 1 35.306 -41.336 26.151 12 H GLY 2 H GLY 2 31.975 -43.958 28.049 13 HA2 GLY 2 2HA GLY 2 29.593 -43.651 28.575 14 HA3 GLY 2 3HA GLY 2 30.091 -43.056 30.149 15 H HIS 3 H HIS 3 29.061 -42.153 27.122 16 HA HIS 3 HA HIS 3 30.495 -39.624 26.980 17 HB2 HIS 3 2HB HIS 3 30.006 -40.885 24.920 18 HB3 HIS 3 3HB HIS 3 28.282 -40.735 25.234 19 HD1 HIS 3 HD1 HIS 3 27.143 -38.708 24.323 20 HD2 HIS 3 HD2 HIS 3 31.280 -38.328 24.321 21 HE1 HIS 3 HE1 HIS 3 27.622 -36.575 23.090 22 HE2 HIS 3 HE2 HIS 3 30.128 -36.390 23.053 23 H HIS 4 H HIS 4 29.769 -38.614 28.904 24 HA HIS 4 HA HIS 4 27.027 -38.217 29.525 25 HB2 HIS 4 2HB HIS 4 27.966 -36.429 31.110 26 HB3 HIS 4 3HB HIS 4 28.473 -38.092 31.364 27 HD1 HIS 4 HD1 HIS 4 30.942 -38.574 31.288 28 HD2 HIS 4 HD2 HIS 4 30.009 -34.747 29.963 29 HE1 HIS 4 HE1 HIS 4 33.144 -37.399 31.020 30 HE2 HIS 4 HE2 HIS 4 32.559 -35.120 30.142 31 H HIS 5 H HIS 5 25.853 -37.290 27.919 32 HA HIS 5 HA HIS 5 26.601 -34.564 27.075 33 HB2 HIS 5 2HB HIS 5 26.293 -35.950 25.161 34 HB3 HIS 5 3HB HIS 5 24.813 -36.647 25.811 35 HD1 HIS 5 HD1 HIS 5 22.659 -35.503 25.240 36 HD2 HIS 5 HD2 HIS 5 25.978 -33.223 24.228 37 HE1 HIS 5 HE1 HIS 5 21.761 -33.561 23.928 38 HE2 HIS 5 HE2 HIS 5 23.802 -32.280 23.202 39 H HIS 6 H HIS 6 25.755 -33.158 28.517 40 HA HIS 6 HA HIS 6 22.994 -33.519 29.452 41 HB2 HIS 6 2HB HIS 6 25.272 -31.786 30.405 42 HB3 HIS 6 3HB HIS 6 23.617 -31.521 30.950 43 HD1 HIS 6 HD1 HIS 6 22.608 -33.236 32.568 44 HD2 HIS 6 HD2 HIS 6 26.508 -34.111 31.430 45 HE1 HIS 6 HE1 HIS 6 23.380 -35.021 34.140 46 HE2 HIS 6 HE2 HIS 6 25.795 -35.388 33.565 47 H HIS 7 H HIS 7 21.456 -31.830 29.332 48 HA HIS 7 HA HIS 7 21.320 -30.510 26.851 49 HB2 HIS 7 2HB HIS 7 19.288 -29.430 27.757 50 HB3 HIS 7 3HB HIS 7 19.315 -31.164 28.049 51 HD1 HIS 7 HD1 HIS 7 19.126 -31.927 30.446 52 HD2 HIS 7 HD2 HIS 7 19.800 -27.842 30.115 53 HE1 HIS 7 HE1 HIS 7 18.843 -31.010 32.763 54 HE2 HIS 7 HE2 HIS 7 19.079 -28.517 32.501 55 H HIS 8 H HIS 8 21.068 -28.199 26.449 56 HA HIS 8 HA HIS 8 22.933 -26.589 28.073 57 HB2 HIS 8 2HB HIS 8 23.718 -26.867 25.813 58 HB3 HIS 8 3HB HIS 8 22.157 -26.402 25.151 59 HD1 HIS 8 HD1 HIS 8 22.360 -24.189 24.108 60 HD2 HIS 8 HD2 HIS 8 24.608 -24.431 27.591 61 HE1 HIS 8 HE1 HIS 8 23.377 -21.923 24.404 62 HE2 HIS 8 HE2 HIS 8 24.574 -22.037 26.610 63 H SER 9 H SER 9 19.885 -26.297 26.231 64 HA SER 9 HA SER 9 19.060 -24.131 28.041 65 HB2 SER 9 2HB SER 9 18.937 -23.992 25.016 66 HB3 SER 9 3HB SER 9 18.186 -22.832 26.109 67 HG SER 9 HG SER 9 20.260 -22.168 25.336 68 H HIS 10 H HIS 10 16.778 -23.665 28.012 69 HA HIS 10 HA HIS 10 14.918 -25.263 26.546 70 HB2 HIS 10 2HB HIS 10 13.837 -26.341 28.518 71 HB3 HIS 10 3HB HIS 10 15.451 -26.960 28.192 72 HD1 HIS 10 HD1 HIS 10 13.598 -24.732 30.621 73 HD2 HIS 10 HD2 HIS 10 17.248 -26.686 30.271 74 HE1 HIS 10 HE1 HIS 10 14.676 -24.554 32.881 75 HE2 HIS 10 HE2 HIS 10 16.781 -25.917 32.693 76 H MET 11 H MET 11 13.295 -23.885 26.121 77 HA MET 11 HA MET 11 11.861 -22.471 28.099 78 HB2 MET 11 2HB MET 11 12.436 -20.148 27.463 79 HB3 MET 11 3HB MET 11 13.785 -21.001 28.198 80 HG2 MET 11 2HG MET 11 14.771 -21.365 25.998 81 HG3 MET 11 3HG MET 11 13.404 -20.544 25.242 82 HE1 MET 11 3HE MET 11 16.399 -18.022 24.797 83 HE2 MET 11 1HE MET 11 15.162 -18.963 23.963 84 HE3 MET 11 2HE MET 11 16.497 -19.782 24.776 85 H ALA 12 H ALA 12 10.108 -21.168 27.225 86 HA ALA 12 HA ALA 12 9.424 -21.890 24.447 87 HB1 ALA 12 3HB ALA 12 7.898 -22.742 26.174 88 HB2 ALA 12 1HB ALA 12 7.091 -21.611 25.087 89 HB3 ALA 12 2HB ALA 12 7.578 -21.091 26.702 90 H LYS 13 H LYS 13 8.914 -20.348 22.961 91 HA LYS 13 HA LYS 13 9.384 -17.551 23.697 92 HB2 LYS 13 2HB LYS 13 9.124 -18.865 20.982 93 HB3 LYS 13 3HB LYS 13 9.492 -17.165 21.245 94 HG2 LYS 13 2HG LYS 13 11.202 -19.509 22.079 95 HG3 LYS 13 3HG LYS 13 11.503 -18.421 20.725 96 HD2 LYS 13 2HD LYS 13 11.459 -17.640 23.652 97 HD3 LYS 13 3HD LYS 13 12.902 -17.851 22.657 98 HE2 LYS 13 2HE LYS 13 10.722 -15.808 22.193 99 HE3 LYS 13 3HE LYS 13 12.299 -15.480 22.906 100 HZ1 LYS 13 3HZ LYS 13 12.287 -14.880 20.593 101 HZ2 LYS 13 1HZ LYS 13 11.790 -16.432 20.139 102 HZ3 LYS 13 2HZ LYS 13 13.321 -16.198 20.815 103 HA PRO 14 HA PRO 14 5.121 -16.362 23.528 104 HB2 PRO 14 2HB PRO 14 5.306 -13.815 22.550 105 HB3 PRO 14 3HB PRO 14 5.738 -14.256 24.204 106 HG2 PRO 14 2HG PRO 14 7.516 -13.860 21.825 107 HG3 PRO 14 3HG PRO 14 7.742 -13.309 23.497 108 HD2 PRO 14 2HD PRO 14 9.002 -15.492 22.523 109 HD3 PRO 14 3HD PRO 14 8.476 -15.382 24.216 110 H THR 15 H THR 15 3.453 -16.637 22.162 111 HA THR 15 HA THR 15 3.974 -17.070 19.335 112 HB THR 15 HB THR 15 1.363 -17.332 20.857 113 HG1 THR 15 HG1 THR 15 1.916 -19.595 20.824 114 HG21 THR 15 3HG2 THR 15 0.686 -18.761 18.974 115 HG22 THR 15 1HG2 THR 15 2.211 -18.416 18.162 116 HG23 THR 15 2HG2 THR 15 1.045 -17.119 18.437 117 H ALA 16 H ALA 16 4.007 -15.328 18.021 118 HA ALA 16 HA ALA 16 2.504 -12.931 18.670 119 HB1 ALA 16 3HB ALA 16 3.701 -11.902 16.818 120 HB2 ALA 16 1HB ALA 16 4.325 -13.475 16.321 121 HB3 ALA 16 2HB ALA 16 4.826 -12.775 17.860 122 H ARG 17 H ARG 17 0.433 -12.703 18.058 123 HA ARG 17 HA ARG 17 -0.468 -13.976 15.545 124 HB2 ARG 17 2HB ARG 17 -2.168 -13.133 17.906 125 HB3 ARG 17 3HB ARG 17 -2.712 -14.018 16.486 126 HG2 ARG 17 2HG ARG 17 -1.226 -15.894 17.136 127 HG3 ARG 17 3HG ARG 17 -0.807 -15.009 18.606 128 HD2 ARG 17 2HD ARG 17 -3.496 -16.106 17.800 129 HD3 ARG 17 3HD ARG 17 -2.513 -16.563 19.192 130 HE ARG 17 HE ARG 17 -3.668 -13.863 18.951 131 HH11 ARG 17 1HH1 ARG 17 -3.230 -16.787 20.728 132 HH12 ARG 17 2HH1 ARG 17 -4.054 -16.180 22.121 133 HH21 ARG 17 1HH2 ARG 17 -4.709 -13.107 20.722 134 HH22 ARG 17 2HH2 ARG 17 -4.870 -14.107 22.125 135 H GLY 18 H GLY 18 -2.440 -12.783 14.564 136 HA2 GLY 18 2HA GLY 18 -2.533 -9.922 14.941 137 HA3 GLY 18 3HA GLY 18 -1.720 -10.396 13.459 138 H GLU 19 H GLU 19 -4.269 -8.913 13.928 139 HA GLU 19 HA GLU 19 -5.934 -10.532 12.129 140 HB2 GLU 19 2HB GLU 19 -6.840 -10.963 14.348 141 HB3 GLU 19 3HB GLU 19 -6.938 -9.238 14.675 142 HG2 GLU 19 2HG GLU 19 -8.632 -8.974 12.954 143 HG3 GLU 19 3HG GLU 19 -8.495 -10.680 12.528 144 H ALA 20 H ALA 20 -7.073 -9.408 10.636 145 HA ALA 20 HA ALA 20 -7.264 -6.486 10.832 146 HB1 ALA 20 3HB ALA 20 -6.123 -7.918 8.425 147 HB2 ALA 20 1HB ALA 20 -5.202 -6.959 9.586 148 HB3 ALA 20 2HB ALA 20 -6.414 -6.183 8.567 149 H GLY 21 H GLY 21 -8.885 -5.559 9.378 150 HA2 GLY 21 2HA GLY 21 -10.900 -7.564 8.510 151 HA3 GLY 21 3HA GLY 21 -11.342 -6.134 9.421 152 H SER 22 H SER 22 -10.108 -7.286 6.320 153 HA SER 22 HA SER 22 -11.779 -5.693 4.768 154 HB2 SER 22 2HB SER 22 -10.487 -3.748 5.479 155 HB3 SER 22 3HB SER 22 -8.987 -4.531 4.985 156 HG SER 22 HG SER 22 -9.617 -3.159 3.343 157 H ARG 23 H ARG 23 -11.507 -6.002 2.502 158 HA ARG 23 HA ARG 23 -10.421 -8.459 1.696 159 HB2 ARG 23 2HB ARG 23 -12.193 -7.275 0.439 160 HB3 ARG 23 3HB ARG 23 -11.040 -6.028 -0.011 161 HG2 ARG 23 2HG ARG 23 -11.210 -7.408 -1.898 162 HG3 ARG 23 3HG ARG 23 -9.693 -7.877 -1.128 163 HD2 ARG 23 2HD ARG 23 -10.741 -9.901 -1.714 164 HD3 ARG 23 3HD ARG 23 -11.039 -9.726 0.016 165 HE ARG 23 HE ARG 23 -13.138 -8.648 -1.618 166 HH11 ARG 23 1HH1 ARG 23 -11.940 -11.536 -0.161 167 HH12 ARG 23 2HH1 ARG 23 -13.478 -12.316 -0.196 168 HH21 ARG 23 1HH2 ARG 23 -15.100 -9.664 -1.669 169 HH22 ARG 23 2HH2 ARG 23 -15.254 -11.267 -1.033 170 H ASP 24 H ASP 24 -9.110 -5.182 1.521 171 HA ASP 24 HA ASP 24 -6.800 -5.756 -0.004 172 HB2 ASP 24 2HB ASP 24 -7.008 -3.563 2.069 173 HB3 ASP 24 3HB ASP 24 -6.074 -3.564 0.573 174 H GLU 25 H GLU 25 -7.364 -5.661 3.484 175 HA GLU 25 HA GLU 25 -4.789 -6.109 4.444 176 HB2 GLU 25 2HB GLU 25 -7.411 -7.139 5.563 177 HB3 GLU 25 3HB GLU 25 -5.900 -7.028 6.453 178 HG2 GLU 25 2HG GLU 25 -7.150 -4.598 5.219 179 HG3 GLU 25 3HG GLU 25 -7.677 -5.199 6.786 180 H ARG 26 H ARG 26 -7.217 -8.442 3.322 181 HA ARG 26 HA ARG 26 -5.868 -10.815 3.967 182 HB2 ARG 26 2HB ARG 26 -7.761 -10.231 1.678 183 HB3 ARG 26 3HB ARG 26 -7.252 -11.846 2.153 184 HG2 ARG 26 2HG ARG 26 -8.754 -9.913 3.918 185 HG3 ARG 26 3HG ARG 26 -9.475 -11.257 3.030 186 HD2 ARG 26 2HD ARG 26 -8.142 -12.848 4.287 187 HD3 ARG 26 3HD ARG 26 -7.313 -11.535 5.119 188 HE ARG 26 HE ARG 26 -9.878 -11.067 5.761 189 HH11 ARG 26 1HH1 ARG 26 -8.000 -13.957 5.846 190 HH12 ARG 26 2HH1 ARG 26 -8.845 -14.600 7.213 191 HH21 ARG 26 1HH2 ARG 26 -10.953 -11.896 7.515 192 HH22 ARG 26 2HH2 ARG 26 -10.507 -13.449 8.136 193 H ARG 27 H ARG 27 -5.655 -8.781 1.064 194 HA ARG 27 HA ARG 27 -3.793 -10.350 -0.374 195 HB2 ARG 27 2HB ARG 27 -4.263 -7.356 -0.378 196 HB3 ARG 27 3HB ARG 27 -3.240 -8.192 -1.537 197 HG2 ARG 27 2HG ARG 27 -6.121 -8.958 -1.195 198 HG3 ARG 27 3HG ARG 27 -5.655 -7.590 -2.207 199 HD2 ARG 27 2HD ARG 27 -5.884 -9.552 -3.591 200 HD3 ARG 27 3HD ARG 27 -4.184 -9.100 -3.510 201 HE ARG 27 HE ARG 27 -4.905 -11.088 -1.573 202 HH11 ARG 27 1HH1 ARG 27 -4.087 -10.613 -4.880 203 HH12 ARG 27 2HH1 ARG 27 -3.422 -12.197 -5.063 204 HH21 ARG 27 1HH2 ARG 27 -4.073 -13.146 -1.829 205 HH22 ARG 27 2HH2 ARG 27 -3.443 -13.624 -3.365 206 H ALA 28 H ALA 28 -3.354 -7.714 1.961 207 HA ALA 28 HA ALA 28 -0.573 -7.447 1.810 208 HB1 ALA 28 3HB ALA 28 -2.062 -5.838 2.924 209 HB2 ALA 28 1HB ALA 28 -0.717 -6.318 3.957 210 HB3 ALA 28 2HB ALA 28 -2.325 -6.996 4.227 211 H LEU 29 H LEU 29 -2.430 -9.266 4.291 212 HA LEU 29 HA LEU 29 -0.124 -10.401 5.481 213 HB2 LEU 29 2HB LEU 29 -1.693 -11.895 6.665 214 HB3 LEU 29 3HB LEU 29 -2.136 -10.206 6.760 215 HG LEU 29 HG LEU 29 -3.729 -10.807 4.746 216 HD11 LEU 29 1HD1 LEU 29 -2.937 -13.075 4.402 217 HD12 LEU 29 2HD1 LEU 29 -4.628 -13.083 4.909 218 HD13 LEU 29 3HD1 LEU 29 -3.357 -13.496 6.062 219 HD21 LEU 29 3HD2 LEU 29 -5.521 -11.265 6.332 220 HD22 LEU 29 1HD2 LEU 29 -4.453 -10.002 6.943 221 HD23 LEU 29 2HD2 LEU 29 -4.340 -11.641 7.586 222 H ALA 30 H ALA 30 -2.097 -11.440 2.778 223 HA ALA 30 HA ALA 30 -1.169 -14.107 2.577 224 HB1 ALA 30 3HB ALA 30 -2.056 -12.267 0.350 225 HB2 ALA 30 1HB ALA 30 -3.123 -13.252 1.352 226 HB3 ALA 30 2HB ALA 30 -1.960 -14.028 0.277 227 H MET 31 H MET 31 0.133 -11.042 1.369 228 HA MET 31 HA MET 31 2.473 -12.436 0.258 229 HB2 MET 31 2HB MET 31 1.605 -9.543 0.047 230 HB3 MET 31 3HB MET 31 3.038 -10.218 -0.718 231 HG2 MET 31 2HG MET 31 0.192 -11.047 -1.270 232 HG3 MET 31 3HG MET 31 1.175 -9.997 -2.284 233 HE1 MET 31 3HE MET 31 3.276 -10.784 -3.653 234 HE2 MET 31 1HE MET 31 3.935 -12.419 -3.598 235 HE3 MET 31 2HE MET 31 4.032 -11.378 -2.174 236 H LYS 32 H LYS 32 1.669 -11.576 3.199 237 HA LYS 32 HA LYS 32 2.770 -11.157 5.132 238 HB2 LYS 32 2HB LYS 32 5.128 -12.025 3.451 239 HB3 LYS 32 3HB LYS 32 5.154 -11.875 5.206 240 HG2 LYS 32 2HG LYS 32 3.478 -13.595 5.427 241 HG3 LYS 32 3HG LYS 32 3.290 -13.685 3.676 242 HD2 LYS 32 2HD LYS 32 5.614 -14.461 3.476 243 HD3 LYS 32 3HD LYS 32 5.785 -14.383 5.232 244 HE2 LYS 32 2HE LYS 32 4.082 -16.086 5.512 245 HE3 LYS 32 3HE LYS 32 3.774 -16.111 3.775 246 HZ1 LYS 32 3HZ LYS 32 6.017 -16.915 3.424 247 HZ2 LYS 32 1HZ LYS 32 5.173 -17.945 4.467 248 HZ3 LYS 32 2HZ LYS 32 6.319 -16.875 5.089 249 H ILE 33 H ILE 33 2.203 -8.854 3.827 250 HA ILE 33 HA ILE 33 4.452 -7.076 3.720 251 HB ILE 33 HB ILE 33 1.490 -6.469 3.905 252 HG12 ILE 33 2HG1 ILE 33 2.050 -7.715 1.876 253 HG13 ILE 33 3HG1 ILE 33 1.659 -6.049 1.470 254 HG21 ILE 33 1HG2 ILE 33 2.801 -4.565 4.659 255 HG22 ILE 33 2HG2 ILE 33 2.074 -4.226 3.087 256 HG23 ILE 33 3HG2 ILE 33 3.787 -4.639 3.199 257 HD11 ILE 33 3HD1 ILE 33 4.421 -7.240 1.649 258 HD12 ILE 33 1HD1 ILE 33 4.057 -5.552 1.286 259 HD13 ILE 33 2HD1 ILE 33 3.545 -6.822 0.178 260 HA PRO 34 HA PRO 34 4.565 -6.684 8.198 261 HB2 PRO 34 2HB PRO 34 6.899 -5.402 8.416 262 HB3 PRO 34 3HB PRO 34 6.821 -7.075 7.853 263 HG2 PRO 34 2HG PRO 34 7.121 -4.557 6.250 264 HG3 PRO 34 3HG PRO 34 7.978 -6.101 6.083 265 HD2 PRO 34 2HD PRO 34 5.816 -5.352 4.542 266 HD3 PRO 34 3HD PRO 34 6.297 -7.034 4.840 267 H PHE 35 H PHE 35 3.097 -4.550 6.541 268 HA PHE 35 HA PHE 35 2.898 -2.680 8.716 269 HB2 PHE 35 2HB PHE 35 3.206 -0.654 7.184 270 HB3 PHE 35 3HB PHE 35 4.657 -1.500 7.697 271 HD1 PHE 35 HD2 PHE 35 2.416 -0.824 4.856 272 HD2 PHE 35 HD1 PHE 35 6.062 -2.630 6.117 273 HE1 PHE 35 HE2 PHE 35 3.127 -1.038 2.509 274 HE2 PHE 35 HE1 PHE 35 6.773 -2.838 3.776 275 HZ PHE 35 HZ PHE 35 5.305 -2.044 1.966 276 HA PRO 36 HA PRO 36 -1.320 -2.832 7.621 277 HB2 PRO 36 2HB PRO 36 -2.248 -0.483 8.650 278 HB3 PRO 36 3HB PRO 36 -1.756 -1.855 9.650 279 HG2 PRO 36 2HG PRO 36 -0.200 0.606 8.921 280 HG3 PRO 36 3HG PRO 36 -0.371 -0.177 10.505 281 HD2 PRO 36 2HD PRO 36 1.812 -0.553 8.982 282 HD3 PRO 36 3HD PRO 36 1.146 -1.857 9.986 283 H THR 37 H THR 37 -2.867 -2.204 6.146 284 HA THR 37 HA THR 37 -1.911 -0.812 3.843 285 HB THR 37 HB THR 37 -4.108 -1.277 2.845 286 HG1 THR 37 HG1 THR 37 -4.854 -2.554 5.275 287 HG21 THR 37 3HG2 THR 37 -2.410 -3.051 2.818 288 HG22 THR 37 1HG2 THR 37 -4.033 -3.732 2.958 289 HG23 THR 37 2HG2 THR 37 -2.992 -3.636 4.378 290 H ASP 38 H ASP 38 -4.175 0.048 6.442 291 HA ASP 38 HA ASP 38 -5.310 2.318 5.275 292 HB2 ASP 38 2HB ASP 38 -5.817 3.092 7.542 293 HB3 ASP 38 3HB ASP 38 -6.145 1.372 7.380 294 H LYS 39 H LYS 39 -2.290 2.027 7.126 295 HA LYS 39 HA LYS 39 -1.538 4.729 7.057 296 HB2 LYS 39 2HB LYS 39 -0.422 3.070 8.481 297 HB3 LYS 39 3HB LYS 39 0.221 2.257 7.060 298 HG2 LYS 39 2HG LYS 39 1.616 4.142 6.536 299 HG3 LYS 39 3HG LYS 39 0.874 5.105 7.815 300 HD2 LYS 39 2HD LYS 39 2.467 2.567 8.261 301 HD3 LYS 39 3HD LYS 39 3.104 4.203 8.448 302 HE2 LYS 39 2HE LYS 39 1.416 4.639 10.197 303 HE3 LYS 39 3HE LYS 39 0.822 2.988 10.022 304 HZ1 LYS 39 3HZ LYS 39 2.322 3.205 11.898 305 HZ2 LYS 39 1HZ LYS 39 3.559 3.756 10.889 306 HZ3 LYS 39 2HZ LYS 39 2.984 2.175 10.733 307 H ILE 40 H ILE 40 -0.737 2.077 4.823 308 HA ILE 40 HA ILE 40 0.831 3.345 2.957 309 HB ILE 40 HB ILE 40 -1.359 1.320 2.411 310 HG12 ILE 40 2HG1 ILE 40 1.604 0.887 2.890 311 HG13 ILE 40 3HG1 ILE 40 0.339 0.599 4.084 312 HG21 ILE 40 1HG2 ILE 40 -0.092 0.744 0.384 313 HG22 ILE 40 2HG2 ILE 40 1.024 2.069 0.712 314 HG23 ILE 40 3HG2 ILE 40 -0.667 2.410 0.346 315 HD11 ILE 40 3HD1 ILE 40 1.060 -1.471 3.041 316 HD12 ILE 40 1HD1 ILE 40 0.645 -0.836 1.450 317 HD13 ILE 40 2HD1 ILE 40 -0.621 -1.126 2.641 318 H VAL 41 H VAL 41 -2.722 3.299 3.074 319 HA VAL 41 HA VAL 41 -3.092 4.761 0.656 320 HB VAL 41 HB VAL 41 -5.045 4.331 2.930 321 HG11 VAL 41 1HG1 VAL 41 -5.537 5.143 0.058 322 HG12 VAL 41 2HG1 VAL 41 -5.753 6.159 1.483 323 HG13 VAL 41 3HG1 VAL 41 -6.786 4.751 1.239 324 HG21 VAL 41 3HG2 VAL 41 -4.180 2.228 2.010 325 HG22 VAL 41 1HG2 VAL 41 -4.650 2.741 0.391 326 HG23 VAL 41 2HG2 VAL 41 -5.885 2.451 1.616 327 H ASN 42 H ASN 42 -3.009 5.740 4.074 328 HA ASN 42 HA ASN 42 -3.796 8.460 3.364 329 HB2 ASN 42 2HB ASN 42 -3.316 7.157 6.045 330 HB3 ASN 42 3HB ASN 42 -3.732 8.857 5.845 331 HD21 ASN 42 1HD2 ASN 42 -4.897 5.614 5.761 332 HD22 ASN 42 2HD2 ASN 42 -6.565 6.007 5.559 333 H LEU 43 H LEU 43 -0.861 6.851 3.501 334 HA LEU 43 HA LEU 43 0.754 9.017 4.480 335 HB2 LEU 43 2HB LEU 43 1.357 6.516 2.913 336 HB3 LEU 43 3HB LEU 43 2.593 7.735 3.155 337 HG LEU 43 HG LEU 43 1.174 6.195 5.337 338 HD11 LEU 43 1HD1 LEU 43 3.380 5.189 5.725 339 HD12 LEU 43 2HD1 LEU 43 4.010 6.042 4.315 340 HD13 LEU 43 3HD1 LEU 43 2.757 4.817 4.118 341 HD21 LEU 43 3HD2 LEU 43 3.360 8.273 5.513 342 HD22 LEU 43 1HD2 LEU 43 2.780 7.284 6.854 343 HD23 LEU 43 2HD2 LEU 43 1.700 8.447 6.085 344 HA PRO 44 HA PRO 44 0.969 11.651 0.824 345 HB2 PRO 44 2HB PRO 44 3.813 12.002 1.607 346 HB3 PRO 44 3HB PRO 44 2.563 13.222 1.346 347 HG2 PRO 44 2HG PRO 44 3.424 12.579 3.807 348 HG3 PRO 44 3HG PRO 44 1.744 13.026 3.488 349 HD2 PRO 44 2HD PRO 44 2.918 10.337 4.000 350 HD3 PRO 44 3HD PRO 44 1.329 10.977 4.451 351 H VAL 45 H VAL 45 2.082 11.683 -1.247 352 HA VAL 45 HA VAL 45 2.884 9.220 -2.275 353 HB VAL 45 HB VAL 45 2.154 11.032 -3.728 354 HG11 VAL 45 1HG1 VAL 45 4.749 12.413 -3.043 355 HG12 VAL 45 2HG1 VAL 45 3.134 12.928 -2.558 356 HG13 VAL 45 3HG1 VAL 45 3.587 12.942 -4.262 357 HG21 VAL 45 3HG2 VAL 45 3.810 10.813 -5.521 358 HG22 VAL 45 1HG2 VAL 45 3.527 9.268 -4.718 359 HG23 VAL 45 2HG2 VAL 45 4.988 10.191 -4.365 360 H ASP 46 H ASP 46 4.842 11.847 -0.943 361 HA ASP 46 HA ASP 46 7.381 10.758 -1.560 362 HB2 ASP 46 2HB ASP 46 6.699 12.638 0.714 363 HB3 ASP 46 3HB ASP 46 8.267 12.434 -0.065 364 H ASP 47 H ASP 47 5.577 10.800 1.549 365 HA ASP 47 HA ASP 47 7.410 9.189 2.963 366 HB2 ASP 47 2HB ASP 47 4.451 9.626 3.406 367 HB3 ASP 47 3HB ASP 47 5.525 8.842 4.562 368 H PHE 48 H PHE 48 4.676 8.325 0.919 369 HA PHE 48 HA PHE 48 4.564 5.573 1.464 370 HB2 PHE 48 2HB PHE 48 2.811 6.616 0.183 371 HB3 PHE 48 3HB PHE 48 3.949 7.134 -1.058 372 HD1 PHE 48 HD2 PHE 48 2.558 4.069 0.542 373 HD2 PHE 48 HD1 PHE 48 4.291 5.815 -2.941 374 HE1 PHE 48 HE2 PHE 48 2.145 1.994 -0.707 375 HE2 PHE 48 HE1 PHE 48 3.880 3.736 -4.184 376 HZ PHE 48 HZ PHE 48 2.808 1.828 -3.067 377 H ASN 49 H ASN 49 6.386 7.322 -1.071 378 HA ASN 49 HA ASN 49 7.775 5.101 -2.098 379 HB2 ASN 49 2HB ASN 49 8.565 8.024 -2.030 380 HB3 ASN 49 3HB ASN 49 9.366 6.795 -3.008 381 HD21 ASN 49 1HD2 ASN 49 7.846 9.230 -3.755 382 HD22 ASN 49 2HD2 ASN 49 6.624 8.675 -4.840 383 H GLU 50 H GLU 50 8.651 7.380 0.496 384 HA GLU 50 HA GLU 50 11.134 6.350 1.237 385 HB2 GLU 50 2HB GLU 50 8.917 7.531 2.928 386 HB3 GLU 50 3HB GLU 50 10.487 7.108 3.591 387 HG2 GLU 50 2HG GLU 50 10.073 9.066 1.339 388 HG3 GLU 50 3HG GLU 50 10.198 9.515 3.039 389 H LEU 51 H LEU 51 7.900 5.341 2.299 390 HA LEU 51 HA LEU 51 8.524 3.374 4.135 391 HB2 LEU 51 2HB LEU 51 6.257 4.224 3.636 392 HB3 LEU 51 3HB LEU 51 6.275 3.365 2.109 393 HG LEU 51 HG LEU 51 6.407 1.214 3.374 394 HD11 LEU 51 1HD1 LEU 51 7.398 2.031 5.436 395 HD12 LEU 51 2HD1 LEU 51 5.866 1.222 5.767 396 HD13 LEU 51 3HD1 LEU 51 5.952 2.984 5.775 397 HD21 LEU 51 3HD2 LEU 51 4.061 1.218 4.067 398 HD22 LEU 51 1HD2 LEU 51 4.274 2.062 2.535 399 HD23 LEU 51 2HD2 LEU 51 4.042 2.980 4.024 400 H LEU 52 H LEU 52 7.987 2.879 0.626 401 HA LEU 52 HA LEU 52 8.704 0.127 0.670 402 HB2 LEU 52 2HB LEU 52 8.521 2.106 -1.603 403 HB3 LEU 52 3HB LEU 52 8.820 0.392 -1.831 404 HG LEU 52 HG LEU 52 6.339 1.600 -0.594 405 HD11 LEU 52 1HD1 LEU 52 6.735 0.217 -3.247 406 HD12 LEU 52 2HD1 LEU 52 6.476 1.946 -3.010 407 HD13 LEU 52 3HD1 LEU 52 5.203 0.800 -2.594 408 HD21 LEU 52 3HD2 LEU 52 6.877 -0.546 0.421 409 HD22 LEU 52 1HD2 LEU 52 7.035 -1.281 -1.176 410 HD23 LEU 52 2HD2 LEU 52 5.467 -0.694 -0.626 411 H ALA 53 H ALA 53 10.617 3.015 0.475 412 HA ALA 53 HA ALA 53 12.992 1.659 -0.490 413 HB1 ALA 53 3HB ALA 53 14.105 3.807 -0.145 414 HB2 ALA 53 1HB ALA 53 12.674 4.431 0.677 415 HB3 ALA 53 2HB ALA 53 12.597 4.015 -1.036 416 H ARG 54 H ARG 54 11.470 2.175 2.545 417 HA ARG 54 HA ARG 54 13.923 1.772 4.089 418 HB2 ARG 54 2HB ARG 54 11.080 2.354 4.953 419 HB3 ARG 54 3HB ARG 54 12.441 2.178 6.059 420 HG2 ARG 54 2HG ARG 54 13.527 4.104 5.148 421 HG3 ARG 54 3HG ARG 54 12.348 4.221 3.843 422 HD2 ARG 54 2HD ARG 54 10.588 4.632 5.571 423 HD3 ARG 54 3HD ARG 54 11.867 4.689 6.788 424 HE ARG 54 HE ARG 54 12.254 6.482 4.563 425 HH11 ARG 54 1HH1 ARG 54 10.879 6.127 7.702 426 HH12 ARG 54 2HH1 ARG 54 10.869 7.829 8.000 427 HH21 ARG 54 1HH2 ARG 54 12.218 8.663 4.968 428 HH22 ARG 54 2HH2 ARG 54 11.625 9.235 6.490 429 H TYR 55 H TYR 55 11.029 0.022 3.171 430 HA TYR 55 HA TYR 55 11.811 -2.250 4.868 431 HB2 TYR 55 2HB TYR 55 9.268 -1.629 3.363 432 HB3 TYR 55 3HB TYR 55 9.577 -3.202 4.093 433 HD1 TYR 55 HD2 TYR 55 9.374 0.428 4.918 434 HD2 TYR 55 HD1 TYR 55 9.070 -3.569 6.354 435 HE1 TYR 55 HE2 TYR 55 8.554 1.271 7.073 436 HE2 TYR 55 HE1 TYR 55 8.249 -2.732 8.516 437 HH TYR 55 HH TYR 55 7.219 0.466 8.991 438 HA PRO 56 HA PRO 56 13.679 -3.991 1.152 439 HB2 PRO 56 2HB PRO 56 14.752 -6.189 2.324 440 HB3 PRO 56 3HB PRO 56 15.455 -4.576 2.500 441 HG2 PRO 56 2HG PRO 56 13.665 -6.077 4.387 442 HG3 PRO 56 3HG PRO 56 15.137 -5.152 4.742 443 HD2 PRO 56 2HD PRO 56 12.649 -4.133 5.123 444 HD3 PRO 56 3HD PRO 56 14.034 -3.121 4.664 445 H LEU 57 H LEU 57 11.347 -4.305 0.491 446 HA LEU 57 HA LEU 57 10.327 -7.026 0.843 447 HB2 LEU 57 2HB LEU 57 9.134 -4.658 -0.611 448 HB3 LEU 57 3HB LEU 57 8.328 -6.188 -0.324 449 HG LEU 57 HG LEU 57 9.188 -4.245 1.833 450 HD11 LEU 57 1HD1 LEU 57 6.463 -4.835 0.672 451 HD12 LEU 57 2HD1 LEU 57 7.367 -3.328 0.518 452 HD13 LEU 57 3HD1 LEU 57 6.768 -3.839 2.095 453 HD21 LEU 57 3HD2 LEU 57 7.859 -5.660 3.322 454 HD22 LEU 57 1HD2 LEU 57 9.188 -6.569 2.600 455 HD23 LEU 57 2HD2 LEU 57 7.544 -6.774 1.992 456 H THR 58 H THR 58 9.697 -8.321 -1.007 457 HA THR 58 HA THR 58 11.561 -8.195 -3.216 458 HB THR 58 HB THR 58 10.518 -10.252 -4.019 459 HG1 THR 58 HG1 THR 58 8.733 -10.229 -1.817 460 HG21 THR 58 3HG2 THR 58 10.967 -11.699 -2.105 461 HG22 THR 58 1HG2 THR 58 10.876 -10.314 -1.018 462 HG23 THR 58 2HG2 THR 58 12.176 -10.419 -2.207 463 H GLU 59 H GLU 59 10.852 -8.248 -5.497 464 HA GLU 59 HA GLU 59 9.622 -5.958 -6.289 465 HB2 GLU 59 2HB GLU 59 9.686 -8.589 -7.773 466 HB3 GLU 59 3HB GLU 59 9.265 -7.051 -8.513 467 HG2 GLU 59 2HG GLU 59 11.912 -7.746 -7.248 468 HG3 GLU 59 3HG GLU 59 11.575 -7.659 -8.975 469 H SER 60 H SER 60 7.944 -9.121 -6.309 470 HA SER 60 HA SER 60 5.441 -8.246 -7.121 471 HB2 SER 60 2HB SER 60 6.132 -10.556 -5.292 472 HB3 SER 60 3HB SER 60 4.544 -10.307 -6.022 473 HG SER 60 HG SER 60 6.065 -11.736 -7.177 474 H GLN 61 H GLN 61 6.846 -8.097 -3.904 475 HA GLN 61 HA GLN 61 4.392 -7.572 -2.537 476 HB2 GLN 61 2HB GLN 61 7.245 -7.027 -1.682 477 HB3 GLN 61 3HB GLN 61 5.836 -6.926 -0.631 478 HG2 GLN 61 2HG GLN 61 5.395 -9.316 -1.001 479 HG3 GLN 61 3HG GLN 61 6.828 -9.408 -2.022 480 HE21 GLN 61 1HE2 GLN 61 5.643 -9.180 1.222 481 HE22 GLN 61 2HE2 GLN 61 7.156 -9.456 2.005 482 H LEU 62 H LEU 62 7.034 -5.417 -3.692 483 HA LEU 62 HA LEU 62 5.785 -3.007 -2.856 484 HB2 LEU 62 2HB LEU 62 7.756 -3.465 -5.104 485 HB3 LEU 62 3HB LEU 62 7.226 -1.881 -4.572 486 HG LEU 62 HG LEU 62 8.126 -2.664 -2.232 487 HD11 LEU 62 1HD1 LEU 62 9.670 -4.458 -4.100 488 HD12 LEU 62 2HD1 LEU 62 8.564 -4.973 -2.826 489 HD13 LEU 62 3HD1 LEU 62 10.068 -4.152 -2.410 490 HD21 LEU 62 3HD2 LEU 62 9.033 -0.793 -3.504 491 HD22 LEU 62 1HD2 LEU 62 9.977 -1.908 -4.496 492 HD23 LEU 62 2HD2 LEU 62 10.329 -1.741 -2.774 493 H ALA 63 H ALA 63 5.623 -4.849 -5.873 494 HA ALA 63 HA ALA 63 4.010 -3.146 -7.390 495 HB1 ALA 63 3HB ALA 63 3.969 -6.170 -7.366 496 HB2 ALA 63 1HB ALA 63 5.092 -5.165 -8.285 497 HB3 ALA 63 2HB ALA 63 3.369 -5.129 -8.659 498 H LEU 64 H LEU 64 3.109 -5.520 -4.914 499 HA LEU 64 HA LEU 64 0.294 -5.162 -5.197 500 HB2 LEU 64 2HB LEU 64 1.248 -7.159 -4.146 501 HB3 LEU 64 3HB LEU 64 1.888 -6.178 -2.840 502 HG LEU 64 HG LEU 64 -0.464 -5.553 -2.237 503 HD11 LEU 64 1HD1 LEU 64 -1.192 -7.696 -4.235 504 HD12 LEU 64 2HD1 LEU 64 -1.530 -5.971 -4.385 505 HD13 LEU 64 3HD1 LEU 64 -2.303 -6.912 -3.110 506 HD21 LEU 64 3HD2 LEU 64 0.729 -7.303 -1.024 507 HD22 LEU 64 1HD2 LEU 64 0.157 -8.504 -2.180 508 HD23 LEU 64 2HD2 LEU 64 -0.992 -7.664 -1.141 509 H VAL 65 H VAL 65 2.642 -3.898 -2.809 510 HA VAL 65 HA VAL 65 0.917 -2.436 -1.212 511 HB VAL 65 HB VAL 65 3.773 -1.742 -1.942 512 HG11 VAL 65 1HG1 VAL 65 2.619 0.194 -0.981 513 HG12 VAL 65 2HG1 VAL 65 3.819 -0.451 0.137 514 HG13 VAL 65 3HG1 VAL 65 2.109 -0.788 0.392 515 HG21 VAL 65 3HG2 VAL 65 2.659 -3.263 0.419 516 HG22 VAL 65 1HG2 VAL 65 4.357 -2.882 0.138 517 HG23 VAL 65 2HG2 VAL 65 3.506 -3.978 -0.953 518 H ARG 66 H ARG 66 2.573 -1.304 -4.177 519 HA ARG 66 HA ARG 66 1.491 1.310 -4.133 520 HB2 ARG 66 2HB ARG 66 2.509 -0.348 -6.451 521 HB3 ARG 66 3HB ARG 66 2.059 1.347 -6.584 522 HG2 ARG 66 2HG ARG 66 3.776 1.831 -4.796 523 HG3 ARG 66 3HG ARG 66 4.310 0.160 -4.970 524 HD2 ARG 66 2HD ARG 66 4.940 0.526 -7.254 525 HD3 ARG 66 3HD ARG 66 4.197 2.126 -7.259 526 HE ARG 66 HE ARG 66 6.575 1.446 -5.641 527 HH11 ARG 66 1HH1 ARG 66 4.796 3.648 -7.599 528 HH12 ARG 66 2HH1 ARG 66 6.006 4.879 -7.506 529 HH21 ARG 66 1HH2 ARG 66 8.110 3.040 -5.512 530 HH22 ARG 66 2HH2 ARG 66 7.867 4.539 -6.342 531 H ASP 67 H ASP 67 0.257 -1.718 -5.445 532 HA ASP 67 HA ASP 67 -1.987 -0.567 -6.777 533 HB2 ASP 67 2HB ASP 67 -1.053 -2.799 -7.335 534 HB3 ASP 67 3HB ASP 67 -1.603 -3.403 -5.775 535 H ILE 68 H ILE 68 -1.449 -1.852 -3.526 536 HA ILE 68 HA ILE 68 -4.095 -1.894 -2.611 537 HB ILE 68 HB ILE 68 -1.543 -1.384 -1.060 538 HG12 ILE 68 2HG1 ILE 68 -3.215 -3.895 -1.401 539 HG13 ILE 68 3HG1 ILE 68 -1.672 -3.583 -2.188 540 HG21 ILE 68 1HG2 ILE 68 -4.313 -2.000 -0.020 541 HG22 ILE 68 2HG2 ILE 68 -3.412 -0.504 0.208 542 HG23 ILE 68 3HG2 ILE 68 -2.842 -1.996 0.952 543 HD11 ILE 68 3HD1 ILE 68 -0.568 -3.559 -0.013 544 HD12 ILE 68 1HD1 ILE 68 -1.418 -5.078 -0.294 545 HD13 ILE 68 2HD1 ILE 68 -2.114 -3.865 0.781 546 H ARG 69 H ARG 69 -1.693 0.747 -2.506 547 HA ARG 69 HA ARG 69 -3.281 2.638 -1.167 548 HB2 ARG 69 2HB ARG 69 -0.796 2.803 -1.754 549 HB3 ARG 69 3HB ARG 69 -1.305 3.326 -3.354 550 HG2 ARG 69 2HG ARG 69 -2.447 5.251 -2.381 551 HG3 ARG 69 3HG ARG 69 -1.993 4.719 -0.763 552 HD2 ARG 69 2HD ARG 69 0.403 4.920 -1.450 553 HD3 ARG 69 3HD ARG 69 -0.141 5.620 -2.975 554 HE ARG 69 HE ARG 69 -0.498 6.836 -0.315 555 HH11 ARG 69 1HH1 ARG 69 -0.291 7.114 -3.748 556 HH12 ARG 69 2HH1 ARG 69 -0.339 8.841 -3.721 557 HH21 ARG 69 1HH2 ARG 69 -0.536 9.045 -0.288 558 HH22 ARG 69 2HH2 ARG 69 -0.508 9.928 -1.775 559 H ARG 70 H ARG 70 -3.037 1.837 -4.598 560 HA ARG 70 HA ARG 70 -4.900 3.712 -5.601 561 HB2 ARG 70 2HB ARG 70 -3.360 2.525 -7.056 562 HB3 ARG 70 3HB ARG 70 -4.058 0.981 -6.603 563 HG2 ARG 70 2HG ARG 70 -4.815 1.543 -8.790 564 HG3 ARG 70 3HG ARG 70 -6.183 1.681 -7.690 565 HD2 ARG 70 2HD ARG 70 -4.516 4.060 -8.484 566 HD3 ARG 70 3HD ARG 70 -5.886 3.513 -9.445 567 HE ARG 70 HE ARG 70 -6.852 3.787 -6.893 568 HH11 ARG 70 1HH1 ARG 70 -5.312 5.851 -9.178 569 HH12 ARG 70 2HH1 ARG 70 -6.173 7.256 -8.649 570 HH21 ARG 70 1HH2 ARG 70 -7.942 5.589 -6.219 571 HH22 ARG 70 2HH2 ARG 70 -7.646 7.112 -6.982 572 H ARG 71 H ARG 71 -5.274 0.424 -4.355 573 HA ARG 71 HA ARG 71 -8.040 0.126 -4.900 574 HB2 ARG 71 2HB ARG 71 -6.226 -1.236 -2.903 575 HB3 ARG 71 3HB ARG 71 -7.888 -1.727 -3.207 576 HG2 ARG 71 2HG ARG 71 -7.353 -2.296 -5.490 577 HG3 ARG 71 3HG ARG 71 -5.710 -1.677 -5.295 578 HD2 ARG 71 2HD ARG 71 -5.943 -4.183 -5.138 579 HD3 ARG 71 3HD ARG 71 -5.145 -3.412 -3.767 580 HE ARG 71 HE ARG 71 -7.308 -3.596 -2.588 581 HH11 ARG 71 1HH1 ARG 71 -6.640 -5.735 -5.211 582 HH12 ARG 71 2HH1 ARG 71 -7.812 -6.893 -4.688 583 HH21 ARG 71 1HH2 ARG 71 -8.771 -5.083 -1.931 584 HH22 ARG 71 2HH2 ARG 71 -8.989 -6.544 -2.841 585 H GLY 72 H GLY 72 -6.294 1.592 -2.236 586 HA2 GLY 72 2HA GLY 72 -8.608 1.766 -0.515 587 HA3 GLY 72 3HA GLY 72 -7.051 2.535 -0.250 588 H LYS 73 H LYS 73 -6.884 3.980 -2.681 589 HA LYS 73 HA LYS 73 -8.457 6.248 -1.908 590 HB2 LYS 73 2HB LYS 73 -6.169 6.563 -2.674 591 HB3 LYS 73 3HB LYS 73 -6.574 5.893 -4.250 592 HG2 LYS 73 2HG LYS 73 -8.038 7.765 -4.721 593 HG3 LYS 73 3HG LYS 73 -7.783 8.411 -3.101 594 HD2 LYS 73 2HD LYS 73 -5.613 8.069 -5.180 595 HD3 LYS 73 3HD LYS 73 -6.460 9.580 -4.852 596 HE2 LYS 73 2HE LYS 73 -5.657 9.417 -2.481 597 HE3 LYS 73 3HE LYS 73 -4.672 8.040 -2.973 598 HZ1 LYS 73 3HZ LYS 73 -3.373 10.046 -2.993 599 HZ2 LYS 73 1HZ LYS 73 -4.471 10.805 -4.030 600 HZ3 LYS 73 2HZ LYS 73 -3.559 9.493 -4.580 601 H ASN 74 H ASN 74 -8.916 3.748 -4.303 602 HA ASN 74 HA ASN 74 -10.297 5.196 -6.269 603 HB2 ASN 74 2HB ASN 74 -11.104 3.108 -7.114 604 HB3 ASN 74 3HB ASN 74 -9.488 2.817 -6.480 605 HD21 ASN 74 1HD2 ASN 74 -11.686 0.952 -6.920 606 HD22 ASN 74 2HD2 ASN 74 -12.011 0.229 -5.387 607 H LYS 75 H LYS 75 -11.461 3.877 -3.219 608 HA LYS 75 HA LYS 75 -14.230 4.250 -3.689 609 HB2 LYS 75 2HB LYS 75 -13.262 2.811 -1.897 610 HB3 LYS 75 3HB LYS 75 -12.762 4.262 -1.040 611 HG2 LYS 75 2HG LYS 75 -15.088 4.934 -0.776 612 HG3 LYS 75 3HG LYS 75 -15.614 3.525 -1.699 613 HD2 LYS 75 2HD LYS 75 -14.621 2.050 0.018 614 HD3 LYS 75 3HD LYS 75 -14.157 3.473 0.951 615 HE2 LYS 75 2HE LYS 75 -16.992 2.728 0.219 616 HE3 LYS 75 3HE LYS 75 -16.229 2.413 1.778 617 HZ1 LYS 75 3HZ LYS 75 -15.950 4.789 2.077 618 HZ2 LYS 75 1HZ LYS 75 -17.579 4.407 1.838 619 HZ3 LYS 75 2HZ LYS 75 -16.679 5.096 0.584 620 H VAL 76 H VAL 76 -11.987 6.235 -1.706 621 HA VAL 76 HA VAL 76 -13.771 8.415 -1.412 622 HB VAL 76 HB VAL 76 -11.869 8.039 0.104 623 HG11 VAL 76 1HG1 VAL 76 -10.147 8.932 -2.208 624 HG12 VAL 76 2HG1 VAL 76 -10.197 7.316 -1.503 625 HG13 VAL 76 3HG1 VAL 76 -9.595 8.674 -0.554 626 HG21 VAL 76 3HG2 VAL 76 -11.165 10.368 0.349 627 HG22 VAL 76 1HG2 VAL 76 -12.888 10.261 -0.001 628 HG23 VAL 76 2HG2 VAL 76 -11.758 10.728 -1.273 629 H ALA 77 H ALA 77 -11.679 7.491 -3.997 630 HA ALA 77 HA ALA 77 -11.280 9.946 -5.294 631 HB1 ALA 77 3HB ALA 77 -11.564 7.201 -6.520 632 HB2 ALA 77 1HB ALA 77 -10.071 7.928 -5.928 633 HB3 ALA 77 2HB ALA 77 -10.895 8.622 -7.324 634 H ALA 78 H ALA 78 -14.063 7.809 -5.211 635 HA ALA 78 HA ALA 78 -15.542 8.797 -7.358 636 HB1 ALA 78 3HB ALA 78 -16.180 6.813 -6.051 637 HB2 ALA 78 1HB ALA 78 -17.515 7.955 -6.213 638 HB3 ALA 78 2HB ALA 78 -16.617 7.857 -4.698 639 H GLN 79 H GLN 79 -14.984 10.188 -4.184 640 HA GLN 79 HA GLN 79 -16.939 12.277 -4.389 641 HB2 GLN 79 2HB GLN 79 -14.424 12.166 -2.697 642 HB3 GLN 79 3HB GLN 79 -15.766 13.285 -2.479 643 HG2 GLN 79 2HG GLN 79 -17.241 11.410 -1.933 644 HG3 GLN 79 3HG GLN 79 -15.900 10.287 -2.165 645 HE21 GLN 79 1HE2 GLN 79 -17.494 10.772 0.218 646 HE22 GLN 79 2HE2 GLN 79 -16.392 11.263 1.451 647 H ASN 80 H ASN 80 -13.554 11.931 -5.268 648 HA ASN 80 HA ASN 80 -13.309 14.760 -5.983 649 HB2 ASN 80 2HB ASN 80 -11.252 12.536 -5.970 650 HB3 ASN 80 3HB ASN 80 -10.915 14.236 -6.293 651 HD21 ASN 80 1HD2 ASN 80 -11.751 11.896 -3.868 652 HD22 ASN 80 2HD2 ASN 80 -11.451 12.913 -2.507 653 H TYR 81 H TYR 81 -14.353 12.013 -7.501 654 HA TYR 81 HA TYR 81 -13.062 12.228 -10.025 655 HB2 TYR 81 2HB TYR 81 -14.109 10.143 -9.254 656 HB3 TYR 81 3HB TYR 81 -15.693 10.911 -9.320 657 HD1 TYR 81 HD1 TYR 81 -12.744 10.247 -11.528 658 HD2 TYR 81 HD2 TYR 81 -16.982 10.591 -11.243 659 HE1 TYR 81 HE1 TYR 81 -12.953 9.562 -13.880 660 HE2 TYR 81 HE2 TYR 81 -17.196 9.905 -13.595 661 HH TYR 81 HH TYR 81 -14.546 8.618 -15.383 662 H ARG 82 H ARG 82 -13.320 13.786 -11.469 663 HA ARG 82 HA ARG 82 -15.568 15.562 -11.510 664 HB2 ARG 82 2HB ARG 82 -14.510 16.454 -13.584 665 HB3 ARG 82 3HB ARG 82 -13.419 16.402 -12.205 666 HG2 ARG 82 2HG ARG 82 -12.339 14.418 -13.077 667 HG3 ARG 82 3HG ARG 82 -13.490 14.344 -14.414 668 HD2 ARG 82 2HD ARG 82 -11.552 16.607 -13.904 669 HD3 ARG 82 3HD ARG 82 -11.316 15.313 -15.080 670 HE ARG 82 HE ARG 82 -13.749 16.445 -15.699 671 HH11 ARG 82 1HH1 ARG 82 -10.497 17.570 -15.472 672 HH12 ARG 82 2HH1 ARG 82 -10.724 18.778 -16.688 673 HH21 ARG 82 1HH2 ARG 82 -14.027 17.990 -17.229 674 HH22 ARG 82 2HH2 ARG 82 -12.703 19.008 -17.689 675 H LYS 83 H LYS 83 -17.437 15.377 -12.631 676 HA LYS 83 HA LYS 83 -17.919 12.954 -14.155 677 HB2 LYS 83 2HB LYS 83 -19.670 15.168 -13.129 678 HB3 LYS 83 3HB LYS 83 -20.278 14.076 -14.364 679 HG2 LYS 83 2HG LYS 83 -20.984 13.312 -12.191 680 HG3 LYS 83 3HG LYS 83 -19.841 12.163 -12.879 681 HD2 LYS 83 2HD LYS 83 -19.360 12.473 -10.527 682 HD3 LYS 83 3HD LYS 83 -18.047 13.157 -11.487 683 HE2 LYS 83 2HE LYS 83 -18.959 15.394 -11.166 684 HE3 LYS 83 3HE LYS 83 -20.320 14.728 -10.264 685 HZ1 LYS 83 3HZ LYS 83 -17.478 14.477 -9.438 686 HZ2 LYS 83 1HZ LYS 83 -18.834 13.999 -8.549 687 HZ3 LYS 83 2HZ LYS 83 -18.552 15.637 -8.839 688 H ARG 84 H ARG 84 -19.033 13.021 -16.265 689 HA ARG 84 HA ARG 84 -17.523 14.589 -18.115 690 HB2 ARG 84 2HB ARG 84 -18.827 13.399 -19.846 691 HB3 ARG 84 3HB ARG 84 -18.143 12.301 -18.654 692 HG2 ARG 84 2HG ARG 84 -20.266 12.021 -17.582 693 HG3 ARG 84 3HG ARG 84 -20.991 13.291 -18.568 694 HD2 ARG 84 2HD ARG 84 -20.754 11.943 -20.561 695 HD3 ARG 84 3HD ARG 84 -19.877 10.706 -19.662 696 HE ARG 84 HE ARG 84 -22.031 10.472 -18.357 697 HH11 ARG 84 1HH1 ARG 84 -21.977 11.465 -21.658 698 HH12 ARG 84 2HH1 ARG 84 -23.555 10.839 -21.984 699 HH21 ARG 84 1HH2 ARG 84 -24.023 9.653 -18.788 700 HH22 ARG 84 2HH2 ARG 84 -24.704 9.823 -20.370 701 H LYS 85 H LYS 85 -18.230 16.124 -19.600 702 HA LYS 85 HA LYS 85 -20.508 17.739 -18.823 703 HB2 LYS 85 2HB LYS 85 -18.521 18.923 -19.503 704 HB3 LYS 85 3HB LYS 85 -18.424 18.019 -21.007 705 HG2 LYS 85 2HG LYS 85 -19.216 20.287 -21.393 706 HG3 LYS 85 3HG LYS 85 -20.458 19.108 -21.810 707 HD2 LYS 85 2HD LYS 85 -21.539 19.530 -19.612 708 HD3 LYS 85 3HD LYS 85 -20.330 20.774 -19.289 709 HE2 LYS 85 2HE LYS 85 -21.086 22.004 -21.286 710 HE3 LYS 85 3HE LYS 85 -22.309 20.768 -21.573 711 HZ1 LYS 85 3HZ LYS 85 -23.254 22.679 -20.456 712 HZ2 LYS 85 1HZ LYS 85 -22.146 22.528 -19.185 713 HZ3 LYS 85 2HZ LYS 85 -23.314 21.330 -19.438 714 H LEU 86 H LEU 86 -22.445 17.873 -19.882 715 HA LEU 86 HA LEU 86 -23.290 15.752 -21.543 716 HB2 LEU 86 2HB LEU 86 -24.572 18.430 -20.974 717 HB3 LEU 86 3HB LEU 86 -25.365 17.125 -21.838 718 HG LEU 86 HG LEU 86 -24.452 17.048 -18.950 719 HD11 LEU 86 1HD1 LEU 86 -26.433 18.424 -19.270 720 HD12 LEU 86 2HD1 LEU 86 -26.859 16.919 -18.454 721 HD13 LEU 86 3HD1 LEU 86 -27.217 17.124 -20.169 722 HD21 LEU 86 3HD2 LEU 86 -25.842 14.946 -20.621 723 HD22 LEU 86 1HD2 LEU 86 -25.580 14.857 -18.879 724 HD23 LEU 86 2HD2 LEU 86 -24.202 14.858 -19.976 725 H GLU 87 H GLU 87 -24.236 15.940 -23.693 726 HA GLU 87 HA GLU 87 -22.412 17.146 -25.563 727 HB2 GLU 87 2HB GLU 87 -23.768 16.012 -27.248 728 HB3 GLU 87 3HB GLU 87 -23.444 14.922 -25.905 729 HG2 GLU 87 2HG GLU 87 -25.697 15.517 -24.986 730 HG3 GLU 87 3HG GLU 87 -26.004 16.395 -26.484 731 H THR 88 H THR 88 -24.017 17.874 -27.685 732 HA THR 88 HA THR 88 -24.705 20.516 -27.329 733 HB THR 88 HB THR 88 -26.140 20.300 -29.363 734 HG1 THR 88 HG1 THR 88 -26.795 18.048 -28.788 735 HG21 THR 88 3HG2 THR 88 -23.468 18.894 -29.518 736 HG22 THR 88 1HG2 THR 88 -23.738 20.636 -29.611 737 HG23 THR 88 2HG2 THR 88 -24.350 19.580 -30.883 738 H ILE 89 H ILE 89 -26.205 21.474 -26.099 739 HA ILE 89 HA ILE 89 -28.255 19.963 -24.791 740 HB ILE 89 HB ILE 89 -27.804 22.954 -24.822 741 HG12 ILE 89 2HG1 ILE 89 -25.872 21.717 -23.940 742 HG13 ILE 89 3HG1 ILE 89 -26.686 22.605 -22.658 743 HG21 ILE 89 1HG2 ILE 89 -29.138 22.974 -22.747 744 HG22 ILE 89 2HG2 ILE 89 -29.485 21.258 -22.965 745 HG23 ILE 89 3HG2 ILE 89 -30.079 22.436 -24.138 746 HD11 ILE 89 3HD1 ILE 89 -26.001 20.408 -21.905 747 HD12 ILE 89 1HD1 ILE 89 -26.925 19.652 -23.203 748 HD13 ILE 89 2HD1 ILE 89 -27.761 20.530 -21.920 749 H VAL 90 H VAL 90 -30.214 19.504 -25.532 750 HA VAL 90 HA VAL 90 -31.308 20.610 -27.922 751 HB VAL 90 HB VAL 90 -33.300 19.272 -27.425 752 HG11 VAL 90 1HG1 VAL 90 -30.730 17.786 -26.856 753 HG12 VAL 90 2HG1 VAL 90 -31.383 18.162 -28.450 754 HG13 VAL 90 3HG1 VAL 90 -32.246 17.053 -27.385 755 HG21 VAL 90 3HG2 VAL 90 -33.449 19.632 -25.016 756 HG22 VAL 90 1HG2 VAL 90 -31.969 18.701 -24.766 757 HG23 VAL 90 2HG2 VAL 90 -33.422 17.905 -25.374 758 H GLN 91 H GLN 91 -33.750 21.345 -27.839 759 HA GLN 91 HA GLN 91 -33.853 23.720 -26.191 760 HB2 GLN 91 2HB GLN 91 -36.075 24.078 -27.394 761 HB3 GLN 91 3HB GLN 91 -34.617 24.091 -28.373 762 HG2 GLN 91 2HG GLN 91 -35.073 21.829 -29.140 763 HG3 GLN 91 3HG GLN 91 -36.491 21.741 -28.096 764 HE21 GLN 91 1HE2 GLN 91 -38.335 22.888 -28.656 765 HE22 GLN 91 2HE2 GLN 91 -38.571 23.543 -30.236 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.320 -62.562 15.861 2 H2 MET 1 2H MET 1 -0.583 -61.716 17.125 3 H3 MET 1 3H MET 1 -0.459 -63.402 17.052 4 HA MET 1 HA MET 1 1.592 -62.342 16.350 5 HB2 MET 1 2HB MET 1 0.930 -64.526 15.404 6 HB3 MET 1 3HB MET 1 0.091 -63.703 14.096 7 HG2 MET 1 2HG MET 1 2.229 -62.752 13.342 8 HG3 MET 1 3HG MET 1 3.056 -63.621 14.635 9 HE1 MET 1 3HE MET 1 4.180 -65.582 11.438 10 HE2 MET 1 1HE MET 1 4.717 -64.744 12.893 11 HE3 MET 1 2HE MET 1 3.930 -63.845 11.597 12 H GLY 2 H GLY 2 2.545 -60.628 15.449 13 HA2 GLY 2 2HA GLY 2 1.967 -59.375 13.044 14 HA3 GLY 2 3HA GLY 2 0.998 -58.546 14.255 15 H HIS 3 H HIS 3 2.420 -56.712 13.473 16 HA HIS 3 HA HIS 3 4.853 -56.624 15.148 17 HB2 HIS 3 2HB HIS 3 4.584 -55.458 12.363 18 HB3 HIS 3 3HB HIS 3 5.988 -55.307 13.411 19 HD1 HIS 3 HD1 HIS 3 4.726 -57.313 10.720 20 HD2 HIS 3 HD2 HIS 3 7.106 -58.014 14.056 21 HE1 HIS 3 HE1 HIS 3 5.926 -59.469 10.252 22 HE2 HIS 3 HE2 HIS 3 7.485 -59.777 12.202 23 H HIS 4 H HIS 4 4.886 -54.982 16.546 24 HA HIS 4 HA HIS 4 2.873 -52.888 16.382 25 HB2 HIS 4 2HB HIS 4 4.981 -53.427 18.490 26 HB3 HIS 4 3HB HIS 4 3.704 -52.222 18.614 27 HD1 HIS 4 HD1 HIS 4 4.392 -55.242 20.057 28 HD2 HIS 4 HD2 HIS 4 1.068 -53.881 17.964 29 HE1 HIS 4 HE1 HIS 4 2.505 -56.743 20.744 30 HE2 HIS 4 HE2 HIS 4 0.502 -55.904 19.471 31 H HIS 5 H HIS 5 3.254 -51.122 15.208 32 HA HIS 5 HA HIS 5 6.031 -50.153 14.939 33 HB2 HIS 5 2HB HIS 5 5.249 -48.982 12.908 34 HB3 HIS 5 3HB HIS 5 4.982 -50.719 12.816 35 HD1 HIS 5 HD1 HIS 5 2.617 -51.500 12.413 36 HD2 HIS 5 HD2 HIS 5 2.829 -47.450 13.320 37 HE1 HIS 5 HE1 HIS 5 0.321 -50.592 11.979 38 HE2 HIS 5 HE2 HIS 5 0.534 -48.113 12.343 39 H HIS 6 H HIS 6 6.388 -47.792 14.911 40 HA HIS 6 HA HIS 6 4.315 -46.053 15.890 41 HB2 HIS 6 2HB HIS 6 5.344 -45.444 18.014 42 HB3 HIS 6 3HB HIS 6 4.988 -47.165 17.989 43 HD1 HIS 6 HD1 HIS 6 7.318 -48.571 17.042 44 HD2 HIS 6 HD2 HIS 6 7.765 -44.999 19.115 45 HE1 HIS 6 HE1 HIS 6 9.653 -48.607 17.942 46 HE2 HIS 6 HE2 HIS 6 9.856 -46.511 19.310 47 H HIS 7 H HIS 7 4.607 -44.170 14.900 48 HA HIS 7 HA HIS 7 7.359 -43.217 14.359 49 HB2 HIS 7 2HB HIS 7 6.464 -42.127 12.315 50 HB3 HIS 7 3HB HIS 7 6.332 -43.878 12.265 51 HD1 HIS 7 HD1 HIS 7 3.979 -44.883 12.143 52 HD2 HIS 7 HD2 HIS 7 3.987 -40.744 12.508 53 HE1 HIS 7 HE1 HIS 7 1.624 -44.161 11.671 54 HE2 HIS 7 HE2 HIS 7 1.678 -41.653 11.775 55 H HIS 8 H HIS 8 7.824 -41.077 14.852 56 HA HIS 8 HA HIS 8 5.673 -39.424 15.966 57 HB2 HIS 8 2HB HIS 8 7.077 -39.056 18.056 58 HB3 HIS 8 3HB HIS 8 6.300 -40.630 17.908 59 HD1 HIS 8 HD1 HIS 8 9.658 -39.008 18.034 60 HD2 HIS 8 HD2 HIS 8 8.050 -42.798 17.455 61 HE1 HIS 8 HE1 HIS 8 11.589 -40.595 18.215 62 HE2 HIS 8 HE2 HIS 8 10.557 -42.883 18.066 63 H SER 9 H SER 9 5.989 -37.262 15.836 64 HA SER 9 HA SER 9 8.646 -36.253 15.010 65 HB2 SER 9 2HB SER 9 7.533 -34.618 13.548 66 HB3 SER 9 3HB SER 9 7.103 -36.261 13.075 67 HG SER 9 HG SER 9 5.091 -35.958 13.735 68 H HIS 10 H HIS 10 9.179 -34.115 15.735 69 HA HIS 10 HA HIS 10 7.762 -33.354 18.185 70 HB2 HIS 10 2HB HIS 10 10.430 -32.481 17.060 71 HB3 HIS 10 3HB HIS 10 9.737 -31.843 18.549 72 HD1 HIS 10 HD1 HIS 10 9.436 -33.601 20.528 73 HD2 HIS 10 HD2 HIS 10 11.745 -34.883 17.321 74 HE1 HIS 10 HE1 HIS 10 10.682 -35.613 21.361 75 HE2 HIS 10 HE2 HIS 10 11.918 -36.475 19.350 76 H MET 11 H MET 11 9.291 -31.374 15.605 77 HA MET 11 HA MET 11 7.261 -29.320 16.030 78 HB2 MET 11 2HB MET 11 9.621 -28.647 15.787 79 HB3 MET 11 3HB MET 11 9.654 -29.334 14.168 80 HG2 MET 11 2HG MET 11 7.975 -27.718 13.437 81 HG3 MET 11 3HG MET 11 7.917 -27.040 15.064 82 HE1 MET 11 3HE MET 11 8.433 -25.313 12.413 83 HE2 MET 11 1HE MET 11 9.720 -24.243 12.970 84 HE3 MET 11 2HE MET 11 8.359 -24.612 14.032 85 H ALA 12 H ALA 12 5.390 -29.412 14.963 86 HA ALA 12 HA ALA 12 5.348 -30.646 12.274 87 HB1 ALA 12 3HB ALA 12 3.097 -31.414 12.722 88 HB2 ALA 12 1HB ALA 12 3.109 -30.622 14.299 89 HB3 ALA 12 2HB ALA 12 4.189 -31.983 13.986 90 H LYS 13 H LYS 13 5.705 -28.627 11.242 91 HA LYS 13 HA LYS 13 5.043 -26.851 10.004 92 HB2 LYS 13 2HB LYS 13 2.252 -27.610 10.893 93 HB3 LYS 13 3HB LYS 13 2.634 -26.485 9.596 94 HG2 LYS 13 2HG LYS 13 3.652 -28.263 8.304 95 HG3 LYS 13 3HG LYS 13 3.401 -29.404 9.628 96 HD2 LYS 13 2HD LYS 13 0.967 -29.107 9.417 97 HD3 LYS 13 3HD LYS 13 1.224 -27.975 8.084 98 HE2 LYS 13 2HE LYS 13 2.283 -29.759 6.776 99 HE3 LYS 13 3HE LYS 13 2.043 -30.885 8.114 100 HZ1 LYS 13 3HZ LYS 13 -0.344 -30.597 7.881 101 HZ2 LYS 13 1HZ LYS 13 0.335 -31.133 6.426 102 HZ3 LYS 13 2HZ LYS 13 -0.112 -29.513 6.603 103 HA PRO 14 HA PRO 14 4.837 -23.511 13.000 104 HB2 PRO 14 2HB PRO 14 5.012 -21.418 11.303 105 HB3 PRO 14 3HB PRO 14 6.396 -22.464 11.642 106 HG2 PRO 14 2HG PRO 14 4.519 -22.510 9.298 107 HG3 PRO 14 3HG PRO 14 6.289 -22.639 9.314 108 HD2 PRO 14 2HD PRO 14 4.642 -24.805 9.108 109 HD3 PRO 14 3HD PRO 14 6.243 -24.878 9.873 110 H THR 15 H THR 15 3.535 -21.371 13.229 111 HA THR 15 HA THR 15 0.938 -21.388 11.891 112 HB THR 15 HB THR 15 1.138 -21.696 14.903 113 HG1 THR 15 HG1 THR 15 0.729 -23.470 12.819 114 HG21 THR 15 3HG2 THR 15 -0.688 -20.180 14.283 115 HG22 THR 15 1HG2 THR 15 -1.326 -21.717 14.863 116 HG23 THR 15 2HG2 THR 15 -1.301 -21.370 13.135 117 H ALA 16 H ALA 16 0.438 -19.348 11.404 118 HA ALA 16 HA ALA 16 1.837 -17.172 12.797 119 HB1 ALA 16 3HB ALA 16 1.265 -15.810 10.846 120 HB2 ALA 16 1HB ALA 16 0.350 -17.157 10.169 121 HB3 ALA 16 2HB ALA 16 2.098 -17.293 10.376 122 H ARG 17 H ARG 17 0.721 -15.184 13.278 123 HA ARG 17 HA ARG 17 -2.135 -15.539 13.942 124 HB2 ARG 17 2HB ARG 17 -1.726 -13.902 15.785 125 HB3 ARG 17 3HB ARG 17 -0.828 -15.403 15.964 126 HG2 ARG 17 2HG ARG 17 1.169 -14.261 15.014 127 HG3 ARG 17 3HG ARG 17 0.252 -12.757 15.008 128 HD2 ARG 17 2HD ARG 17 0.048 -12.797 17.403 129 HD3 ARG 17 3HD ARG 17 0.762 -14.409 17.481 130 HE ARG 17 HE ARG 17 2.153 -11.902 17.186 131 HH11 ARG 17 1HH1 ARG 17 2.322 -15.313 16.749 132 HH12 ARG 17 2HH1 ARG 17 4.048 -15.343 16.754 133 HH21 ARG 17 1HH2 ARG 17 4.380 -11.950 17.171 134 HH22 ARG 17 2HH2 ARG 17 5.196 -13.463 17.000 135 H GLY 18 H GLY 18 -3.569 -14.058 13.193 136 HA2 GLY 18 2HA GLY 18 -3.590 -11.465 12.765 137 HA3 GLY 18 3HA GLY 18 -2.515 -11.928 11.454 138 H GLU 19 H GLU 19 -5.784 -11.787 12.552 139 HA GLU 19 HA GLU 19 -6.743 -12.978 10.032 140 HB2 GLU 19 2HB GLU 19 -8.967 -13.054 11.137 141 HB3 GLU 19 3HB GLU 19 -7.743 -13.983 11.990 142 HG2 GLU 19 2HG GLU 19 -7.479 -12.119 13.591 143 HG3 GLU 19 3HG GLU 19 -8.766 -11.251 12.757 144 H ALA 20 H ALA 20 -8.382 -11.864 8.795 145 HA ALA 20 HA ALA 20 -8.740 -9.010 9.303 146 HB1 ALA 20 3HB ALA 20 -6.607 -9.108 8.108 147 HB2 ALA 20 1HB ALA 20 -7.851 -8.331 7.129 148 HB3 ALA 20 2HB ALA 20 -7.379 -9.996 6.795 149 H GLY 21 H GLY 21 -9.976 -8.030 7.260 150 HA2 GLY 21 2HA GLY 21 -12.182 -9.933 6.693 151 HA3 GLY 21 3HA GLY 21 -12.427 -8.232 7.035 152 H SER 22 H SER 22 -10.684 -6.952 5.388 153 HA SER 22 HA SER 22 -12.180 -7.092 2.948 154 HB2 SER 22 2HB SER 22 -9.723 -5.417 3.534 155 HB3 SER 22 3HB SER 22 -10.900 -5.146 2.249 156 HG SER 22 HG SER 22 -11.056 -4.597 4.968 157 H ARG 23 H ARG 23 -11.314 -7.256 0.782 158 HA ARG 23 HA ARG 23 -9.753 -9.505 0.252 159 HB2 ARG 23 2HB ARG 23 -10.514 -7.123 -1.421 160 HB3 ARG 23 3HB ARG 23 -9.437 -8.346 -2.070 161 HG2 ARG 23 2HG ARG 23 -11.652 -8.806 -2.824 162 HG3 ARG 23 3HG ARG 23 -11.189 -10.052 -1.669 163 HD2 ARG 23 2HD ARG 23 -12.723 -7.661 -0.725 164 HD3 ARG 23 3HD ARG 23 -13.566 -8.952 -1.578 165 HE ARG 23 HE ARG 23 -12.156 -10.237 0.374 166 HH11 ARG 23 1HH1 ARG 23 -14.427 -7.643 0.349 167 HH12 ARG 23 2HH1 ARG 23 -15.116 -8.085 1.871 168 HH21 ARG 23 1HH2 ARG 23 -13.087 -10.815 2.318 169 HH22 ARG 23 2HH2 ARG 23 -14.370 -9.857 2.966 170 H ASP 24 H ASP 24 -8.738 -6.088 -0.106 171 HA ASP 24 HA ASP 24 -6.054 -6.530 -0.683 172 HB2 ASP 24 2HB ASP 24 -5.881 -4.182 0.657 173 HB3 ASP 24 3HB ASP 24 -6.484 -4.323 -0.989 174 H GLU 25 H GLU 25 -7.510 -5.994 2.531 175 HA GLU 25 HA GLU 25 -5.299 -6.302 4.149 176 HB2 GLU 25 2HB GLU 25 -8.127 -7.292 4.591 177 HB3 GLU 25 3HB GLU 25 -6.903 -7.240 5.850 178 HG2 GLU 25 2HG GLU 25 -6.804 -4.865 5.777 179 HG3 GLU 25 3HG GLU 25 -7.785 -4.808 4.313 180 H ARG 26 H ARG 26 -7.342 -8.915 2.823 181 HA ARG 26 HA ARG 26 -5.941 -11.074 3.993 182 HB2 ARG 26 2HB ARG 26 -7.635 -10.931 1.494 183 HB3 ARG 26 3HB ARG 26 -7.039 -12.436 2.183 184 HG2 ARG 26 2HG ARG 26 -8.846 -10.479 3.599 185 HG3 ARG 26 3HG ARG 26 -9.376 -11.956 2.790 186 HD2 ARG 26 2HD ARG 26 -7.962 -13.277 4.325 187 HD3 ARG 26 3HD ARG 26 -7.486 -11.790 5.145 188 HE ARG 26 HE ARG 26 -9.646 -11.619 6.042 189 HH11 ARG 26 1HH1 ARG 26 -9.274 -14.459 4.122 190 HH12 ARG 26 2HH1 ARG 26 -10.703 -15.200 4.758 191 HH21 ARG 26 1HH2 ARG 26 -11.437 -12.594 6.872 192 HH22 ARG 26 2HH2 ARG 26 -11.915 -14.155 6.301 193 H ARG 27 H ARG 27 -5.449 -9.326 0.965 194 HA ARG 27 HA ARG 27 -3.468 -11.106 -0.085 195 HB2 ARG 27 2HB ARG 27 -4.056 -8.210 -0.756 196 HB3 ARG 27 3HB ARG 27 -2.994 -9.263 -1.685 197 HG2 ARG 27 2HG ARG 27 -5.934 -9.754 -1.221 198 HG3 ARG 27 3HG ARG 27 -5.248 -9.020 -2.671 199 HD2 ARG 27 2HD ARG 27 -4.565 -11.788 -1.660 200 HD3 ARG 27 3HD ARG 27 -5.757 -11.448 -2.914 201 HE ARG 27 HE ARG 27 -3.433 -10.238 -3.763 202 HH11 ARG 27 1HH1 ARG 27 -4.370 -13.449 -2.946 203 HH12 ARG 27 2HH1 ARG 27 -3.283 -14.167 -4.080 204 HH21 ARG 27 1HH2 ARG 27 -2.047 -11.170 -5.212 205 HH22 ARG 27 2HH2 ARG 27 -1.990 -12.896 -5.351 206 H ALA 28 H ALA 28 -3.363 -8.185 1.879 207 HA ALA 28 HA ALA 28 -0.619 -7.633 1.765 208 HB1 ALA 28 3HB ALA 28 -2.283 -6.076 2.667 209 HB2 ALA 28 1HB ALA 28 -0.961 -6.340 3.805 210 HB3 ALA 28 2HB ALA 28 -2.518 -7.132 4.061 211 H LEU 29 H LEU 29 -2.372 -9.391 4.344 212 HA LEU 29 HA LEU 29 -0.028 -10.187 5.703 213 HB2 LEU 29 2HB LEU 29 -1.536 -11.794 6.894 214 HB3 LEU 29 3HB LEU 29 -2.042 -10.119 6.934 215 HG LEU 29 HG LEU 29 -3.568 -10.799 4.917 216 HD11 LEU 29 1HD1 LEU 29 -2.687 -13.024 4.549 217 HD12 LEU 29 2HD1 LEU 29 -4.377 -13.112 5.047 218 HD13 LEU 29 3HD1 LEU 29 -3.097 -13.488 6.201 219 HD21 LEU 29 3HD2 LEU 29 -4.380 -10.051 7.095 220 HD22 LEU 29 1HD2 LEU 29 -4.195 -11.683 7.736 221 HD23 LEU 29 2HD2 LEU 29 -5.370 -11.363 6.460 222 H ALA 30 H ALA 30 -1.705 -11.594 2.988 223 HA ALA 30 HA ALA 30 -0.504 -14.174 3.092 224 HB1 ALA 30 3HB ALA 30 -1.611 -12.694 0.704 225 HB2 ALA 30 1HB ALA 30 -2.546 -13.705 1.808 226 HB3 ALA 30 2HB ALA 30 -1.291 -14.427 0.798 227 H MET 31 H MET 31 0.352 -11.167 1.393 228 HA MET 31 HA MET 31 2.783 -12.341 0.303 229 HB2 MET 31 2HB MET 31 1.613 -9.562 0.118 230 HB3 MET 31 3HB MET 31 3.120 -10.041 -0.652 231 HG2 MET 31 2HG MET 31 0.416 -11.253 -1.194 232 HG3 MET 31 3HG MET 31 1.230 -10.062 -2.206 233 HE1 MET 31 3HE MET 31 3.541 -10.568 -3.508 234 HE2 MET 31 1HE MET 31 4.374 -12.119 -3.416 235 HE3 MET 31 2HE MET 31 4.274 -11.085 -1.992 236 H LYS 32 H LYS 32 2.174 -11.598 3.298 237 HA LYS 32 HA LYS 32 3.439 -11.147 5.128 238 HB2 LYS 32 2HB LYS 32 5.774 -11.271 3.206 239 HB3 LYS 32 3HB LYS 32 5.865 -11.422 4.955 240 HG2 LYS 32 2HG LYS 32 4.593 -13.498 4.868 241 HG3 LYS 32 3HG LYS 32 4.415 -13.330 3.122 242 HD2 LYS 32 2HD LYS 32 6.180 -14.911 3.589 243 HD3 LYS 32 3HD LYS 32 6.882 -13.448 2.893 244 HE2 LYS 32 2HE LYS 32 8.221 -14.268 4.765 245 HE3 LYS 32 3HE LYS 32 7.529 -12.687 5.127 246 HZ1 LYS 32 3HZ LYS 32 7.380 -14.301 6.974 247 HZ2 LYS 32 1HZ LYS 32 6.359 -15.263 6.029 248 HZ3 LYS 32 2HZ LYS 32 5.871 -13.711 6.488 249 H ILE 33 H ILE 33 2.255 -8.913 4.249 250 HA ILE 33 HA ILE 33 4.247 -6.772 4.201 251 HB ILE 33 HB ILE 33 1.225 -6.575 4.200 252 HG12 ILE 33 2HG1 ILE 33 2.046 -7.735 2.195 253 HG13 ILE 33 3HG1 ILE 33 1.442 -6.136 1.778 254 HG21 ILE 33 1HG2 ILE 33 3.337 -4.496 3.618 255 HG22 ILE 33 2HG2 ILE 33 2.276 -4.547 5.026 256 HG23 ILE 33 3HG2 ILE 33 1.598 -4.271 3.421 257 HD11 ILE 33 3HD1 ILE 33 3.711 -5.298 1.616 258 HD12 ILE 33 1HD1 ILE 33 3.494 -6.709 0.579 259 HD13 ILE 33 2HD1 ILE 33 4.345 -6.867 2.117 260 HA PRO 34 HA PRO 34 3.964 -6.867 8.699 261 HB2 PRO 34 2HB PRO 34 6.072 -5.286 9.235 262 HB3 PRO 34 3HB PRO 34 6.267 -6.923 8.598 263 HG2 PRO 34 2HG PRO 34 6.363 -4.306 7.128 264 HG3 PRO 34 3HG PRO 34 7.459 -5.697 7.003 265 HD2 PRO 34 2HD PRO 34 5.431 -5.226 5.233 266 HD3 PRO 34 3HD PRO 34 6.029 -6.853 5.618 267 H PHE 35 H PHE 35 3.459 -4.093 6.728 268 HA PHE 35 HA PHE 35 2.636 -2.503 9.074 269 HB2 PHE 35 2HB PHE 35 2.922 -0.495 7.543 270 HB3 PHE 35 3HB PHE 35 4.398 -1.319 8.026 271 HD1 PHE 35 HD1 PHE 35 5.720 -2.560 6.420 272 HD2 PHE 35 HD2 PHE 35 2.149 -0.566 5.230 273 HE1 PHE 35 HE1 PHE 35 6.383 -2.782 4.063 274 HE2 PHE 35 HE2 PHE 35 2.809 -0.788 2.871 275 HZ PHE 35 HZ PHE 35 4.926 -1.895 2.287 276 HA PRO 36 HA PRO 36 -1.547 -2.828 7.867 277 HB2 PRO 36 2HB PRO 36 -2.581 -0.496 8.847 278 HB3 PRO 36 3HB PRO 36 -2.097 -1.855 9.871 279 HG2 PRO 36 2HG PRO 36 -0.572 0.643 9.198 280 HG3 PRO 36 3HG PRO 36 -0.784 -0.145 10.775 281 HD2 PRO 36 2HD PRO 36 1.466 -0.463 9.332 282 HD3 PRO 36 3HD PRO 36 0.792 -1.787 10.307 283 H THR 37 H THR 37 -3.037 -2.283 6.321 284 HA THR 37 HA THR 37 -2.148 -0.909 4.019 285 HB THR 37 HB THR 37 -4.417 -1.260 3.125 286 HG1 THR 37 HG1 THR 37 -6.025 -2.126 4.457 287 HG21 THR 37 3HG2 THR 37 -3.392 -3.655 4.670 288 HG22 THR 37 1HG2 THR 37 -2.824 -3.137 3.081 289 HG23 THR 37 2HG2 THR 37 -4.481 -3.705 3.285 290 H ASP 38 H ASP 38 -4.216 0.104 6.695 291 HA ASP 38 HA ASP 38 -5.255 2.469 5.650 292 HB2 ASP 38 2HB ASP 38 -4.404 1.878 8.498 293 HB3 ASP 38 3HB ASP 38 -5.440 3.218 8.010 294 H LYS 39 H LYS 39 -2.069 1.846 7.042 295 HA LYS 39 HA LYS 39 -1.178 4.551 6.996 296 HB2 LYS 39 2HB LYS 39 -0.071 2.871 8.388 297 HB3 LYS 39 3HB LYS 39 0.399 1.963 6.959 298 HG2 LYS 39 2HG LYS 39 1.875 3.744 6.251 299 HG3 LYS 39 3HG LYS 39 1.332 4.764 7.584 300 HD2 LYS 39 2HD LYS 39 2.759 2.114 7.902 301 HD3 LYS 39 3HD LYS 39 3.536 3.694 8.001 302 HE2 LYS 39 2HE LYS 39 2.003 4.257 9.892 303 HE3 LYS 39 3HE LYS 39 1.400 2.601 9.842 304 HZ1 LYS 39 3HZ LYS 39 3.116 2.896 11.526 305 HZ2 LYS 39 1HZ LYS 39 4.218 3.391 10.343 306 HZ3 LYS 39 2HZ LYS 39 3.626 1.808 10.335 307 H ILE 40 H ILE 40 -0.926 1.853 4.732 308 HA ILE 40 HA ILE 40 0.686 2.956 2.753 309 HB ILE 40 HB ILE 40 -1.682 1.100 2.409 310 HG12 ILE 40 2HG1 ILE 40 1.261 0.482 2.783 311 HG13 ILE 40 3HG1 ILE 40 0.002 0.246 3.991 312 HG21 ILE 40 1HG2 ILE 40 -1.001 2.112 0.284 313 HG22 ILE 40 2HG2 ILE 40 -0.645 0.386 0.326 314 HG23 ILE 40 3HG2 ILE 40 0.652 1.555 0.555 315 HD11 ILE 40 3HD1 ILE 40 0.224 -1.184 1.350 316 HD12 ILE 40 1HD1 ILE 40 -1.070 -1.405 2.530 317 HD13 ILE 40 2HD1 ILE 40 0.585 -1.851 2.941 318 H VAL 41 H VAL 41 -2.860 3.154 3.076 319 HA VAL 41 HA VAL 41 -3.293 4.563 0.642 320 HB VAL 41 HB VAL 41 -5.114 4.405 3.058 321 HG11 VAL 41 1HG1 VAL 41 -5.767 6.136 1.446 322 HG12 VAL 41 2HG1 VAL 41 -6.925 4.807 1.470 323 HG13 VAL 41 3HG1 VAL 41 -5.759 4.936 0.151 324 HG21 VAL 41 3HG2 VAL 41 -4.457 2.175 2.323 325 HG22 VAL 41 1HG2 VAL 41 -4.926 2.566 0.667 326 HG23 VAL 41 2HG2 VAL 41 -6.147 2.484 1.936 327 H ASN 42 H ASN 42 -2.725 5.630 3.949 328 HA ASN 42 HA ASN 42 -3.656 8.329 3.376 329 HB2 ASN 42 2HB ASN 42 -2.780 6.924 5.889 330 HB3 ASN 42 3HB ASN 42 -3.092 8.658 5.854 331 HD21 ASN 42 1HD2 ASN 42 -4.481 6.087 6.934 332 HD22 ASN 42 2HD2 ASN 42 -6.137 6.369 6.540 333 H LEU 43 H LEU 43 -0.704 6.807 2.978 334 HA LEU 43 HA LEU 43 0.889 9.181 3.567 335 HB2 LEU 43 2HB LEU 43 1.628 6.518 2.344 336 HB3 LEU 43 3HB LEU 43 2.771 7.830 2.583 337 HG LEU 43 HG LEU 43 1.282 6.351 4.765 338 HD11 LEU 43 1HD1 LEU 43 4.213 6.354 4.040 339 HD12 LEU 43 2HD1 LEU 43 3.074 5.050 3.710 340 HD13 LEU 43 3HD1 LEU 43 3.464 5.477 5.375 341 HD21 LEU 43 3HD2 LEU 43 3.322 8.572 4.968 342 HD22 LEU 43 1HD2 LEU 43 2.667 7.647 6.320 343 HD23 LEU 43 2HD2 LEU 43 1.608 8.690 5.373 344 HA PRO 44 HA PRO 44 0.451 10.830 -0.606 345 HB2 PRO 44 2HB PRO 44 2.388 12.722 -0.486 346 HB3 PRO 44 3HB PRO 44 0.845 12.898 0.355 347 HG2 PRO 44 2HG PRO 44 3.495 12.010 1.437 348 HG3 PRO 44 3HG PRO 44 2.326 13.146 2.137 349 HD2 PRO 44 2HD PRO 44 2.520 10.555 2.937 350 HD3 PRO 44 3HD PRO 44 0.989 11.456 2.968 351 H VAL 45 H VAL 45 1.964 11.276 -2.529 352 HA VAL 45 HA VAL 45 3.179 8.929 -3.299 353 HB VAL 45 HB VAL 45 2.510 10.642 -4.901 354 HG11 VAL 45 1HG1 VAL 45 3.861 12.631 -5.313 355 HG12 VAL 45 2HG1 VAL 45 4.907 12.215 -3.954 356 HG13 VAL 45 3HG1 VAL 45 3.213 12.628 -3.674 357 HG21 VAL 45 3HG2 VAL 45 4.415 10.489 -6.448 358 HG22 VAL 45 1HG2 VAL 45 4.101 8.950 -5.643 359 HG23 VAL 45 2HG2 VAL 45 5.448 9.962 -5.117 360 H ASP 46 H ASP 46 4.851 11.794 -1.959 361 HA ASP 46 HA ASP 46 7.473 10.828 -2.257 362 HB2 ASP 46 2HB ASP 46 6.384 12.789 -0.226 363 HB3 ASP 46 3HB ASP 46 8.089 12.564 -0.615 364 H ASP 47 H ASP 47 5.637 11.047 0.822 365 HA ASP 47 HA ASP 47 7.371 9.502 2.363 366 HB2 ASP 47 2HB ASP 47 4.386 9.917 2.626 367 HB3 ASP 47 3HB ASP 47 5.383 9.162 3.866 368 H PHE 48 H PHE 48 4.753 8.482 0.245 369 HA PHE 48 HA PHE 48 4.575 5.782 1.014 370 HB2 PHE 48 2HB PHE 48 2.879 6.848 -0.374 371 HB3 PHE 48 3HB PHE 48 4.044 7.091 -1.670 372 HD1 PHE 48 HD2 PHE 48 2.059 4.580 0.156 373 HD2 PHE 48 HD1 PHE 48 4.601 5.322 -3.180 374 HE1 PHE 48 HE2 PHE 48 1.439 2.403 -0.805 375 HE2 PHE 48 HE1 PHE 48 3.981 3.146 -4.140 376 HZ PHE 48 HZ PHE 48 2.402 1.684 -2.950 377 H ASN 49 H ASN 49 6.430 7.264 -1.667 378 HA ASN 49 HA ASN 49 7.708 4.903 -2.520 379 HB2 ASN 49 2HB ASN 49 8.712 7.753 -2.737 380 HB3 ASN 49 3HB ASN 49 9.293 6.382 -3.678 381 HD21 ASN 49 1HD2 ASN 49 8.153 8.826 -4.645 382 HD22 ASN 49 2HD2 ASN 49 6.739 8.400 -5.537 383 H GLU 50 H GLU 50 8.472 7.152 0.047 384 HA GLU 50 HA GLU 50 11.060 6.088 0.650 385 HB2 GLU 50 2HB GLU 50 9.150 7.630 2.428 386 HB3 GLU 50 3HB GLU 50 10.853 7.336 2.763 387 HG2 GLU 50 2HG GLU 50 11.447 8.614 0.739 388 HG3 GLU 50 3HG GLU 50 9.738 8.951 0.475 389 H LEU 51 H LEU 51 7.781 5.483 1.864 390 HA LEU 51 HA LEU 51 8.293 3.730 3.952 391 HB2 LEU 51 2HB LEU 51 6.057 4.583 3.379 392 HB3 LEU 51 3HB LEU 51 6.050 3.613 1.920 393 HG LEU 51 HG LEU 51 6.162 1.560 3.383 394 HD11 LEU 51 1HD1 LEU 51 5.509 1.793 5.730 395 HD12 LEU 51 2HD1 LEU 51 5.583 3.548 5.579 396 HD13 LEU 51 3HD1 LEU 51 7.049 2.585 5.401 397 HD21 LEU 51 3HD2 LEU 51 3.757 3.339 3.802 398 HD22 LEU 51 1HD2 LEU 51 3.797 1.580 3.919 399 HD23 LEU 51 2HD2 LEU 51 4.066 2.368 2.363 400 H LEU 52 H LEU 52 7.880 2.961 0.501 401 HA LEU 52 HA LEU 52 8.252 0.195 0.617 402 HB2 LEU 52 2HB LEU 52 9.073 2.097 -1.585 403 HB3 LEU 52 3HB LEU 52 8.892 0.362 -1.760 404 HG LEU 52 HG LEU 52 6.658 2.301 -1.116 405 HD11 LEU 52 1HD1 LEU 52 7.306 0.808 -3.659 406 HD12 LEU 52 2HD1 LEU 52 7.427 2.549 -3.407 407 HD13 LEU 52 3HD1 LEU 52 5.849 1.763 -3.373 408 HD21 LEU 52 3HD2 LEU 52 6.237 0.140 -0.100 409 HD22 LEU 52 1HD2 LEU 52 6.604 -0.680 -1.617 410 HD23 LEU 52 2HD2 LEU 52 5.183 0.357 -1.495 411 H ALA 53 H ALA 53 10.644 2.787 0.514 412 HA ALA 53 HA ALA 53 12.884 1.030 0.080 413 HB1 ALA 53 3HB ALA 53 12.832 3.942 0.881 414 HB2 ALA 53 1HB ALA 53 12.892 3.320 -0.769 415 HB3 ALA 53 2HB ALA 53 14.246 3.044 0.327 416 H ARG 54 H ARG 54 11.140 2.026 2.867 417 HA ARG 54 HA ARG 54 13.398 1.701 4.691 418 HB2 ARG 54 2HB ARG 54 10.488 2.345 5.242 419 HB3 ARG 54 3HB ARG 54 11.758 2.294 6.461 420 HG2 ARG 54 2HG ARG 54 12.929 4.120 5.314 421 HG3 ARG 54 3HG ARG 54 11.644 4.183 4.106 422 HD2 ARG 54 2HD ARG 54 11.286 5.923 5.737 423 HD3 ARG 54 3HD ARG 54 10.031 4.699 5.920 424 HE ARG 54 HE ARG 54 11.857 3.909 7.723 425 HH11 ARG 54 1HH1 ARG 54 10.462 7.009 7.120 426 HH12 ARG 54 2HH1 ARG 54 10.588 7.501 8.770 427 HH21 ARG 54 1HH2 ARG 54 12.014 4.555 9.823 428 HH22 ARG 54 2HH2 ARG 54 11.477 6.135 10.284 429 H TYR 55 H TYR 55 11.307 -0.401 3.202 430 HA TYR 55 HA TYR 55 11.641 -2.380 5.365 431 HB2 TYR 55 2HB TYR 55 9.180 -1.914 3.667 432 HB3 TYR 55 3HB TYR 55 9.428 -3.379 4.613 433 HD1 TYR 55 HD2 TYR 55 8.740 0.235 4.772 434 HD2 TYR 55 HD1 TYR 55 9.247 -3.339 7.042 435 HE1 TYR 55 HE2 TYR 55 7.801 1.359 6.747 436 HE2 TYR 55 HE1 TYR 55 8.307 -2.223 9.017 437 HH TYR 55 HH TYR 55 8.012 0.032 9.883 438 HA PRO 56 HA PRO 56 13.542 -4.804 2.139 439 HB2 PRO 56 2HB PRO 56 13.129 -7.161 3.844 440 HB3 PRO 56 3HB PRO 56 14.637 -6.383 3.361 441 HG2 PRO 56 2HG PRO 56 13.702 -6.273 5.892 442 HG3 PRO 56 3HG PRO 56 14.629 -4.946 5.161 443 HD2 PRO 56 2HD PRO 56 11.658 -5.200 5.542 444 HD3 PRO 56 3HD PRO 56 12.709 -3.791 5.804 445 H LEU 57 H LEU 57 11.444 -4.405 0.927 446 HA LEU 57 HA LEU 57 9.705 -6.776 0.825 447 HB2 LEU 57 2HB LEU 57 9.281 -4.047 -0.416 448 HB3 LEU 57 3HB LEU 57 8.129 -5.367 -0.393 449 HG LEU 57 HG LEU 57 9.115 -3.861 2.037 450 HD11 LEU 57 1HD1 LEU 57 6.442 -3.797 0.637 451 HD12 LEU 57 2HD1 LEU 57 7.651 -2.512 0.627 452 HD13 LEU 57 3HD1 LEU 57 6.850 -2.954 2.132 453 HD21 LEU 57 3HD2 LEU 57 7.407 -5.100 3.271 454 HD22 LEU 57 1HD2 LEU 57 8.593 -6.197 2.561 455 HD23 LEU 57 2HD2 LEU 57 7.006 -6.013 1.815 456 H THR 58 H THR 58 9.260 -7.841 -1.125 457 HA THR 58 HA THR 58 11.287 -7.646 -3.208 458 HB THR 58 HB THR 58 10.266 -9.617 -4.186 459 HG1 THR 58 HG1 THR 58 8.354 -10.479 -2.903 460 HG21 THR 58 3HG2 THR 58 11.714 -10.019 -2.262 461 HG22 THR 58 1HG2 THR 58 10.399 -11.194 -2.300 462 HG23 THR 58 2HG2 THR 58 10.337 -9.841 -1.171 463 H GLU 59 H GLU 59 10.695 -7.429 -5.505 464 HA GLU 59 HA GLU 59 9.267 -5.153 -6.120 465 HB2 GLU 59 2HB GLU 59 9.761 -7.551 -7.907 466 HB3 GLU 59 3HB GLU 59 9.262 -5.961 -8.474 467 HG2 GLU 59 2HG GLU 59 11.332 -4.984 -7.674 468 HG3 GLU 59 3HG GLU 59 11.824 -6.531 -6.985 469 H SER 60 H SER 60 8.076 -8.472 -6.010 470 HA SER 60 HA SER 60 5.459 -8.026 -6.956 471 HB2 SER 60 2HB SER 60 6.351 -10.079 -4.907 472 HB3 SER 60 3HB SER 60 4.887 -10.146 -5.890 473 HG SER 60 HG SER 60 6.025 -10.854 -7.523 474 H GLN 61 H GLN 61 6.816 -7.871 -3.663 475 HA GLN 61 HA GLN 61 4.360 -7.324 -2.349 476 HB2 GLN 61 2HB GLN 61 7.190 -6.662 -1.501 477 HB3 GLN 61 3HB GLN 61 5.776 -6.526 -0.465 478 HG2 GLN 61 2HG GLN 61 5.387 -8.955 -0.732 479 HG3 GLN 61 3HG GLN 61 6.869 -9.058 -1.681 480 HE21 GLN 61 1HE2 GLN 61 5.529 -8.656 1.492 481 HE22 GLN 61 2HE2 GLN 61 7.012 -8.816 2.357 482 H LEU 62 H LEU 62 6.940 -5.125 -3.542 483 HA LEU 62 HA LEU 62 5.708 -2.710 -2.807 484 HB2 LEU 62 2HB LEU 62 7.530 -3.337 -5.127 485 HB3 LEU 62 3HB LEU 62 6.940 -1.719 -4.812 486 HG LEU 62 HG LEU 62 8.006 -2.018 -2.456 487 HD11 LEU 62 1HD1 LEU 62 9.496 -4.149 -3.978 488 HD12 LEU 62 2HD1 LEU 62 8.446 -4.393 -2.582 489 HD13 LEU 62 3HD1 LEU 62 9.951 -3.491 -2.406 490 HD21 LEU 62 3HD2 LEU 62 10.176 -1.226 -3.298 491 HD22 LEU 62 1HD2 LEU 62 8.826 -0.441 -4.119 492 HD23 LEU 62 2HD2 LEU 62 9.723 -1.727 -4.927 493 H ALA 63 H ALA 63 5.185 -4.772 -5.630 494 HA ALA 63 HA ALA 63 3.426 -3.096 -7.056 495 HB1 ALA 63 3HB ALA 63 3.428 -6.117 -6.929 496 HB2 ALA 63 1HB ALA 63 4.415 -5.129 -8.009 497 HB3 ALA 63 2HB ALA 63 2.658 -5.129 -8.173 498 H LEU 64 H LEU 64 2.747 -5.569 -4.573 499 HA LEU 64 HA LEU 64 -0.049 -5.280 -4.527 500 HB2 LEU 64 2HB LEU 64 1.069 -7.163 -3.476 501 HB3 LEU 64 3HB LEU 64 1.837 -6.095 -2.316 502 HG LEU 64 HG LEU 64 -0.419 -5.517 -1.414 503 HD11 LEU 64 1HD1 LEU 64 -1.356 -7.724 -3.249 504 HD12 LEU 64 2HD1 LEU 64 -1.770 -6.016 -3.373 505 HD13 LEU 64 3HD1 LEU 64 -2.323 -6.954 -1.989 506 HD21 LEU 64 3HD2 LEU 64 0.264 -8.456 -1.376 507 HD22 LEU 64 1HD2 LEU 64 -0.735 -7.602 -0.199 508 HD23 LEU 64 2HD2 LEU 64 0.976 -7.215 -0.348 509 H VAL 65 H VAL 65 2.431 -3.703 -2.485 510 HA VAL 65 HA VAL 65 0.736 -2.173 -0.880 511 HB VAL 65 HB VAL 65 3.493 -1.392 -1.875 512 HG11 VAL 65 1HG1 VAL 65 2.305 0.505 -0.901 513 HG12 VAL 65 2HG1 VAL 65 3.620 -0.013 0.153 514 HG13 VAL 65 3HG1 VAL 65 1.953 -0.438 0.547 515 HG21 VAL 65 3HG2 VAL 65 4.312 -2.389 0.220 516 HG22 VAL 65 1HG2 VAL 65 3.520 -3.581 -0.808 517 HG23 VAL 65 2HG2 VAL 65 2.677 -2.934 0.596 518 H ARG 66 H ARG 66 2.130 -1.385 -4.056 519 HA ARG 66 HA ARG 66 0.933 1.175 -4.305 520 HB2 ARG 66 2HB ARG 66 2.038 -0.772 -6.333 521 HB3 ARG 66 3HB ARG 66 1.357 0.779 -6.804 522 HG2 ARG 66 2HG ARG 66 3.022 1.970 -5.554 523 HG3 ARG 66 3HG ARG 66 3.637 0.473 -4.855 524 HD2 ARG 66 2HD ARG 66 3.659 1.085 -7.809 525 HD3 ARG 66 3HD ARG 66 5.015 1.410 -6.728 526 HE ARG 66 HE ARG 66 4.284 -1.269 -6.434 527 HH11 ARG 66 1HH1 ARG 66 5.573 0.774 -8.888 528 HH12 ARG 66 2HH1 ARG 66 6.554 -0.481 -9.567 529 HH21 ARG 66 1HH2 ARG 66 5.520 -2.877 -7.331 530 HH22 ARG 66 2HH2 ARG 66 6.516 -2.526 -8.696 531 H ASP 67 H ASP 67 -0.177 -2.066 -5.208 532 HA ASP 67 HA ASP 67 -2.509 -1.345 -6.607 533 HB2 ASP 67 2HB ASP 67 -1.640 -3.621 -6.644 534 HB3 ASP 67 3HB ASP 67 -1.917 -3.794 -4.914 535 H ILE 68 H ILE 68 -2.066 -2.142 -3.171 536 HA ILE 68 HA ILE 68 -4.701 -1.697 -2.325 537 HB ILE 68 HB ILE 68 -2.141 -1.368 -0.735 538 HG12 ILE 68 2HG1 ILE 68 -3.998 -3.753 -1.017 539 HG13 ILE 68 3HG1 ILE 68 -2.414 -3.604 -1.773 540 HG21 ILE 68 1HG2 ILE 68 -4.987 -1.741 0.221 541 HG22 ILE 68 2HG2 ILE 68 -4.011 -0.281 0.388 542 HG23 ILE 68 3HG2 ILE 68 -3.554 -1.751 1.249 543 HD11 ILE 68 3HD1 ILE 68 -2.956 -3.707 1.189 544 HD12 ILE 68 1HD1 ILE 68 -1.369 -3.560 0.431 545 HD13 ILE 68 2HD1 ILE 68 -2.327 -5.021 0.193 546 H ARG 69 H ARG 69 -1.930 0.521 -2.468 547 HA ARG 69 HA ARG 69 -3.254 2.795 -1.425 548 HB2 ARG 69 2HB ARG 69 -0.779 2.510 -1.641 549 HB3 ARG 69 3HB ARG 69 -0.935 2.706 -3.378 550 HG2 ARG 69 2HG ARG 69 -1.919 4.850 -1.526 551 HG3 ARG 69 3HG ARG 69 -0.202 4.716 -1.897 552 HD2 ARG 69 2HD ARG 69 -0.823 4.834 -4.338 553 HD3 ARG 69 3HD ARG 69 -2.471 5.201 -3.835 554 HE ARG 69 HE ARG 69 -1.763 7.296 -3.085 555 HH11 ARG 69 1HH1 ARG 69 0.836 5.471 -4.414 556 HH12 ARG 69 2HH1 ARG 69 1.907 6.824 -4.465 557 HH21 ARG 69 1HH2 ARG 69 -0.412 9.027 -3.196 558 HH22 ARG 69 2HH2 ARG 69 1.195 8.830 -3.796 559 H ARG 70 H ARG 70 -2.902 1.541 -4.715 560 HA ARG 70 HA ARG 70 -4.018 3.665 -6.152 561 HB2 ARG 70 2HB ARG 70 -2.855 1.822 -7.253 562 HB3 ARG 70 3HB ARG 70 -4.094 0.690 -6.732 563 HG2 ARG 70 2HG ARG 70 -4.442 1.196 -9.045 564 HG3 ARG 70 3HG ARG 70 -5.747 1.926 -8.108 565 HD2 ARG 70 2HD ARG 70 -4.454 4.086 -8.172 566 HD3 ARG 70 3HD ARG 70 -3.346 3.308 -9.304 567 HE ARG 70 HE ARG 70 -6.160 3.271 -10.022 568 HH11 ARG 70 1HH1 ARG 70 -3.057 4.707 -10.478 569 HH12 ARG 70 2HH1 ARG 70 -3.556 5.579 -11.885 570 HH21 ARG 70 1HH2 ARG 70 -6.776 4.367 -11.825 571 HH22 ARG 70 2HH2 ARG 70 -5.645 5.395 -12.639 572 H ARG 71 H ARG 71 -5.686 0.632 -5.202 573 HA ARG 71 HA ARG 71 -8.277 1.603 -5.834 574 HB2 ARG 71 2HB ARG 71 -7.382 -0.706 -4.102 575 HB3 ARG 71 3HB ARG 71 -9.065 -0.385 -4.500 576 HG2 ARG 71 2HG ARG 71 -8.607 -0.714 -6.861 577 HG3 ARG 71 3HG ARG 71 -6.889 -0.938 -6.521 578 HD2 ARG 71 2HD ARG 71 -9.100 -2.702 -5.453 579 HD3 ARG 71 3HD ARG 71 -8.121 -3.070 -6.874 580 HE ARG 71 HE ARG 71 -6.223 -3.323 -5.461 581 HH11 ARG 71 1HH1 ARG 71 -9.177 -2.914 -3.721 582 HH12 ARG 71 2HH1 ARG 71 -8.537 -3.580 -2.259 583 HH21 ARG 71 1HH2 ARG 71 -5.418 -4.174 -3.623 584 HH22 ARG 71 2HH2 ARG 71 -6.417 -4.301 -2.217 585 H GLY 72 H GLY 72 -6.418 1.562 -2.825 586 HA2 GLY 72 2HA GLY 72 -8.476 2.303 -1.046 587 HA3 GLY 72 3HA GLY 72 -6.759 2.583 -0.795 588 H LYS 73 H LYS 73 -6.090 4.379 -2.731 589 HA LYS 73 HA LYS 73 -7.206 6.812 -1.765 590 HB2 LYS 73 2HB LYS 73 -4.871 6.541 -2.661 591 HB3 LYS 73 3HB LYS 73 -5.555 6.425 -4.277 592 HG2 LYS 73 2HG LYS 73 -4.735 8.663 -3.888 593 HG3 LYS 73 3HG LYS 73 -6.493 8.688 -4.029 594 HD2 LYS 73 2HD LYS 73 -5.754 10.132 -2.202 595 HD3 LYS 73 3HD LYS 73 -6.681 8.769 -1.572 596 HE2 LYS 73 2HE LYS 73 -4.583 7.620 -0.996 597 HE3 LYS 73 3HE LYS 73 -3.667 8.988 -1.627 598 HZ1 LYS 73 3HZ LYS 73 -3.859 9.083 0.770 599 HZ2 LYS 73 1HZ LYS 73 -5.548 9.084 0.671 600 HZ3 LYS 73 2HZ LYS 73 -4.662 10.392 0.063 601 H ASN 74 H ASN 74 -7.760 4.852 -4.642 602 HA ASN 74 HA ASN 74 -9.482 6.585 -6.041 603 HB2 ASN 74 2HB ASN 74 -8.516 4.516 -6.995 604 HB3 ASN 74 3HB ASN 74 -9.534 3.556 -5.931 605 HD21 ASN 74 1HD2 ASN 74 -9.457 5.596 -8.745 606 HD22 ASN 74 2HD2 ASN 74 -11.028 5.178 -9.320 607 H LYS 75 H LYS 75 -10.077 4.337 -3.384 608 HA LYS 75 HA LYS 75 -12.872 4.443 -3.264 609 HB2 LYS 75 2HB LYS 75 -11.466 2.888 -1.946 610 HB3 LYS 75 3HB LYS 75 -10.906 4.235 -0.966 611 HG2 LYS 75 2HG LYS 75 -13.246 4.608 -0.221 612 HG3 LYS 75 3HG LYS 75 -13.727 3.168 -1.121 613 HD2 LYS 75 2HD LYS 75 -11.772 3.274 1.186 614 HD3 LYS 75 3HD LYS 75 -13.417 2.640 1.241 615 HE2 LYS 75 2HE LYS 75 -12.767 0.919 -0.424 616 HE3 LYS 75 3HE LYS 75 -11.112 1.527 -0.374 617 HZ1 LYS 75 3HZ LYS 75 -11.071 0.987 2.010 618 HZ2 LYS 75 1HZ LYS 75 -11.333 -0.381 1.049 619 HZ3 LYS 75 2HZ LYS 75 -12.622 0.325 1.887 620 H VAL 76 H VAL 76 -10.432 6.628 -1.940 621 HA VAL 76 HA VAL 76 -12.305 8.379 -0.645 622 HB VAL 76 HB VAL 76 -9.426 8.924 -1.424 623 HG11 VAL 76 1HG1 VAL 76 -9.494 10.602 0.382 624 HG12 VAL 76 2HG1 VAL 76 -11.214 10.277 0.600 625 HG13 VAL 76 3HG1 VAL 76 -10.634 10.967 -0.915 626 HG21 VAL 76 3HG2 VAL 76 -9.557 6.933 -0.029 627 HG22 VAL 76 1HG2 VAL 76 -10.550 7.796 1.147 628 HG23 VAL 76 2HG2 VAL 76 -8.869 8.272 0.891 629 H ALA 77 H ALA 77 -10.443 8.500 -3.665 630 HA ALA 77 HA ALA 77 -11.214 11.048 -4.538 631 HB1 ALA 77 3HB ALA 77 -10.424 8.652 -6.194 632 HB2 ALA 77 1HB ALA 77 -9.329 9.844 -5.494 633 HB3 ALA 77 2HB ALA 77 -10.463 10.326 -6.754 634 H ALA 78 H ALA 78 -12.858 7.973 -4.760 635 HA ALA 78 HA ALA 78 -14.679 8.418 -6.799 636 HB1 ALA 78 3HB ALA 78 -16.092 6.745 -5.721 637 HB2 ALA 78 1HB ALA 78 -15.168 6.914 -4.226 638 HB3 ALA 78 2HB ALA 78 -14.396 6.263 -5.673 639 H GLN 79 H GLN 79 -14.738 9.695 -3.518 640 HA GLN 79 HA GLN 79 -17.478 10.570 -3.648 641 HB2 GLN 79 2HB GLN 79 -15.304 11.389 -1.708 642 HB3 GLN 79 3HB GLN 79 -17.031 11.659 -1.503 643 HG2 GLN 79 2HG GLN 79 -15.572 9.025 -1.510 644 HG3 GLN 79 3HG GLN 79 -16.405 9.791 -0.157 645 HE21 GLN 79 1HE2 GLN 79 -18.678 9.783 -0.131 646 HE22 GLN 79 2HE2 GLN 79 -19.587 8.678 -1.092 647 H ASN 80 H ASN 80 -14.425 11.921 -4.578 648 HA ASN 80 HA ASN 80 -15.775 14.458 -5.286 649 HB2 ASN 80 2HB ASN 80 -13.488 15.473 -5.328 650 HB3 ASN 80 3HB ASN 80 -13.969 14.900 -3.735 651 HD21 ASN 80 1HD2 ASN 80 -12.961 13.088 -2.871 652 HD22 ASN 80 2HD2 ASN 80 -11.469 12.490 -3.502 653 H TYR 81 H TYR 81 -15.701 11.875 -6.707 654 HA TYR 81 HA TYR 81 -13.865 11.765 -8.796 655 HB2 TYR 81 2HB TYR 81 -15.196 9.853 -8.201 656 HB3 TYR 81 3HB TYR 81 -16.688 10.701 -8.581 657 HD1 TYR 81 HD1 TYR 81 -13.654 9.176 -10.060 658 HD2 TYR 81 HD2 TYR 81 -17.540 10.745 -10.808 659 HE1 TYR 81 HE1 TYR 81 -13.577 8.272 -12.345 660 HE2 TYR 81 HE2 TYR 81 -17.472 9.846 -13.091 661 HH TYR 81 HH TYR 81 -15.130 7.606 -14.127 662 H ARG 82 H ARG 82 -16.995 13.439 -8.659 663 HA ARG 82 HA ARG 82 -17.288 13.923 -11.400 664 HB2 ARG 82 2HB ARG 82 -19.035 14.272 -9.601 665 HB3 ARG 82 3HB ARG 82 -18.241 15.797 -9.227 666 HG2 ARG 82 2HG ARG 82 -18.662 16.596 -11.492 667 HG3 ARG 82 3HG ARG 82 -19.398 15.052 -11.912 668 HD2 ARG 82 2HD ARG 82 -21.078 15.500 -10.060 669 HD3 ARG 82 3HD ARG 82 -20.432 17.143 -10.004 670 HE ARG 82 HE ARG 82 -21.445 16.055 -12.536 671 HH11 ARG 82 1HH1 ARG 82 -21.652 18.398 -10.005 672 HH12 ARG 82 2HH1 ARG 82 -22.823 19.351 -10.847 673 HH21 ARG 82 1HH2 ARG 82 -22.953 17.281 -13.589 674 HH22 ARG 82 2HH2 ARG 82 -23.555 18.724 -12.857 675 H LYS 83 H LYS 83 -15.527 14.650 -12.472 676 HA LYS 83 HA LYS 83 -14.304 17.202 -11.635 677 HB2 LYS 83 2HB LYS 83 -12.761 15.284 -11.766 678 HB3 LYS 83 3HB LYS 83 -13.227 15.017 -13.439 679 HG2 LYS 83 2HG LYS 83 -12.331 17.282 -13.977 680 HG3 LYS 83 3HG LYS 83 -11.726 17.373 -12.320 681 HD2 LYS 83 2HD LYS 83 -10.402 15.318 -12.723 682 HD3 LYS 83 3HD LYS 83 -10.966 15.304 -14.395 683 HE2 LYS 83 2HE LYS 83 -8.771 16.280 -14.329 684 HE3 LYS 83 3HE LYS 83 -9.939 17.548 -14.703 685 HZ1 LYS 83 3HZ LYS 83 -8.365 18.323 -13.083 686 HZ2 LYS 83 1HZ LYS 83 -8.697 17.023 -12.055 687 HZ3 LYS 83 2HZ LYS 83 -9.882 18.195 -12.353 688 H ARG 84 H ARG 84 -15.254 18.876 -12.725 689 HA ARG 84 HA ARG 84 -16.496 18.555 -15.275 690 HB2 ARG 84 2HB ARG 84 -16.836 20.967 -15.247 691 HB3 ARG 84 3HB ARG 84 -17.231 20.283 -13.677 692 HG2 ARG 84 2HG ARG 84 -15.580 21.406 -12.612 693 HG3 ARG 84 3HG ARG 84 -14.459 21.262 -13.966 694 HD2 ARG 84 2HD ARG 84 -16.796 23.169 -13.802 695 HD3 ARG 84 3HD ARG 84 -15.098 23.594 -13.575 696 HE ARG 84 HE ARG 84 -15.369 22.351 -16.068 697 HH11 ARG 84 1HH1 ARG 84 -16.331 25.279 -14.516 698 HH12 ARG 84 2HH1 ARG 84 -16.346 26.171 -15.998 699 HH21 ARG 84 1HH2 ARG 84 -15.414 23.509 -17.943 700 HH22 ARG 84 2HH2 ARG 84 -15.815 25.195 -17.900 701 H LYS 85 H LYS 85 -15.726 18.878 -17.303 702 HA LYS 85 HA LYS 85 -12.878 19.259 -17.681 703 HB2 LYS 85 2HB LYS 85 -13.290 18.748 -20.005 704 HB3 LYS 85 3HB LYS 85 -14.198 17.614 -19.015 705 HG2 LYS 85 2HG LYS 85 -16.216 19.062 -19.365 706 HG3 LYS 85 3HG LYS 85 -15.267 19.987 -20.530 707 HD2 LYS 85 2HD LYS 85 -14.873 17.842 -21.781 708 HD3 LYS 85 3HD LYS 85 -16.012 17.063 -20.681 709 HE2 LYS 85 2HE LYS 85 -16.566 19.288 -22.637 710 HE3 LYS 85 3HE LYS 85 -17.190 17.642 -22.678 711 HZ1 LYS 85 3HZ LYS 85 -18.866 19.141 -21.876 712 HZ2 LYS 85 1HZ LYS 85 -17.840 19.715 -20.656 713 HZ3 LYS 85 2HZ LYS 85 -18.393 18.117 -20.613 714 H LEU 86 H LEU 86 -12.293 20.739 -19.688 715 HA LEU 86 HA LEU 86 -12.866 23.423 -18.929 716 HB2 LEU 86 2HB LEU 86 -11.394 24.107 -20.638 717 HB3 LEU 86 3HB LEU 86 -10.732 22.613 -20.005 718 HG LEU 86 HG LEU 86 -12.313 22.846 -22.581 719 HD11 LEU 86 1HD1 LEU 86 -10.170 23.990 -22.756 720 HD12 LEU 86 2HD1 LEU 86 -10.181 22.512 -23.718 721 HD13 LEU 86 3HD1 LEU 86 -9.339 22.549 -22.169 722 HD21 LEU 86 3HD2 LEU 86 -12.514 20.633 -21.576 723 HD22 LEU 86 1HD2 LEU 86 -10.760 20.520 -21.436 724 HD23 LEU 86 2HD2 LEU 86 -11.517 20.570 -23.028 725 H GLU 87 H GLU 87 -13.859 25.094 -20.210 726 HA GLU 87 HA GLU 87 -16.264 24.299 -21.551 727 HB2 GLU 87 2HB GLU 87 -16.082 26.371 -20.191 728 HB3 GLU 87 3HB GLU 87 -14.966 27.035 -21.374 729 HG2 GLU 87 2HG GLU 87 -17.240 27.919 -21.625 730 HG3 GLU 87 3HG GLU 87 -16.695 27.052 -23.061 731 H THR 88 H THR 88 -16.737 24.343 -23.765 732 HA THR 88 HA THR 88 -14.861 25.248 -25.728 733 HB THR 88 HB THR 88 -13.649 23.239 -24.997 734 HG1 THR 88 HG1 THR 88 -14.293 22.184 -27.365 735 HG21 THR 88 3HG2 THR 88 -15.523 21.881 -24.208 736 HG22 THR 88 1HG2 THR 88 -14.590 20.995 -25.416 737 HG23 THR 88 2HG2 THR 88 -16.130 21.732 -25.857 738 H ILE 89 H ILE 89 -15.488 24.570 -27.965 739 HA ILE 89 HA ILE 89 -18.356 23.901 -28.216 740 HB ILE 89 HB ILE 89 -18.602 25.598 -29.987 741 HG12 ILE 89 2HG1 ILE 89 -15.808 26.475 -29.189 742 HG13 ILE 89 3HG1 ILE 89 -16.238 25.694 -30.707 743 HG21 ILE 89 1HG2 ILE 89 -17.618 26.765 -27.378 744 HG22 ILE 89 2HG2 ILE 89 -19.250 26.181 -27.704 745 HG23 ILE 89 3HG2 ILE 89 -18.633 27.590 -28.563 746 HD11 ILE 89 3HD1 ILE 89 -17.166 28.401 -29.775 747 HD12 ILE 89 1HD1 ILE 89 -17.629 27.621 -31.287 748 HD13 ILE 89 2HD1 ILE 89 -15.948 28.074 -31.009 749 H VAL 90 H VAL 90 -18.833 23.618 -30.724 750 HA VAL 90 HA VAL 90 -16.557 22.219 -31.991 751 HB VAL 90 HB VAL 90 -18.325 20.635 -31.286 752 HG11 VAL 90 1HG1 VAL 90 -20.499 20.615 -32.414 753 HG12 VAL 90 2HG1 VAL 90 -20.093 22.120 -33.238 754 HG13 VAL 90 3HG1 VAL 90 -20.269 22.095 -31.484 755 HG21 VAL 90 3HG2 VAL 90 -18.550 19.458 -33.434 756 HG22 VAL 90 1HG2 VAL 90 -16.919 20.094 -33.202 757 HG23 VAL 90 2HG2 VAL 90 -18.042 20.919 -34.283 758 H GLN 91 H GLN 91 -16.260 22.512 -34.217 759 HA GLN 91 HA GLN 91 -16.157 23.670 -36.167 760 HB2 GLN 91 2HB GLN 91 -18.988 24.517 -35.479 761 HB3 GLN 91 3HB GLN 91 -18.196 24.844 -37.014 762 HG2 GLN 91 2HG GLN 91 -18.764 22.106 -35.890 763 HG3 GLN 91 3HG GLN 91 -19.711 22.923 -37.131 764 HE21 GLN 91 1HE2 GLN 91 -18.287 20.395 -37.240 765 HE22 GLN 91 2HE2 GLN 91 -17.164 20.526 -38.542 Start of MODEL 14 1 H1 MET 1 1H MET 1 16.810 24.460 -5.466 2 H2 MET 1 2H MET 1 18.219 23.862 -6.182 3 H3 MET 1 3H MET 1 18.313 25.111 -5.047 4 HA MET 1 HA MET 1 18.992 22.997 -4.096 5 HB2 MET 1 2HB MET 1 17.985 24.705 -2.652 6 HB3 MET 1 3HB MET 1 16.379 24.094 -3.018 7 HG2 MET 1 2HG MET 1 16.906 21.992 -1.913 8 HG3 MET 1 3HG MET 1 18.540 22.566 -1.578 9 HE1 MET 1 3HE MET 1 18.093 21.896 1.002 10 HE2 MET 1 1HE MET 1 16.430 21.432 0.638 11 HE3 MET 1 2HE MET 1 16.763 22.557 1.957 12 H GLY 2 H GLY 2 18.674 20.808 -3.829 13 HA2 GLY 2 2HA GLY 2 16.918 18.993 -3.711 14 HA3 GLY 2 3HA GLY 2 16.313 19.670 -5.216 15 H HIS 3 H HIS 3 16.682 17.981 -6.607 16 HA HIS 3 HA HIS 3 17.823 16.600 -8.016 17 HB2 HIS 3 2HB HIS 3 18.998 18.770 -8.491 18 HB3 HIS 3 3HB HIS 3 20.224 18.319 -7.314 19 HD1 HIS 3 HD1 HIS 3 22.124 16.913 -8.147 20 HD2 HIS 3 HD2 HIS 3 18.957 17.043 -10.831 21 HE1 HIS 3 HE1 HIS 3 22.975 15.835 -10.245 22 HE2 HIS 3 HE2 HIS 3 21.083 16.027 -11.887 23 H HIS 4 H HIS 4 17.733 16.037 -5.088 24 HA HIS 4 HA HIS 4 20.091 14.275 -4.816 25 HB2 HIS 4 2HB HIS 4 20.215 16.334 -3.395 26 HB3 HIS 4 3HB HIS 4 18.738 15.824 -2.588 27 HD1 HIS 4 HD1 HIS 4 19.019 14.331 -0.608 28 HD2 HIS 4 HD2 HIS 4 22.448 14.516 -2.945 29 HE1 HIS 4 HE1 HIS 4 20.778 13.100 0.683 30 HE2 HIS 4 HE2 HIS 4 22.885 13.412 -0.648 31 H HIS 5 H HIS 5 19.665 12.175 -4.209 32 HA HIS 5 HA HIS 5 16.915 11.519 -3.358 33 HB2 HIS 5 2HB HIS 5 17.108 11.143 -5.782 34 HB3 HIS 5 3HB HIS 5 18.482 10.079 -5.512 35 HD1 HIS 5 HD1 HIS 5 14.796 10.258 -4.560 36 HD2 HIS 5 HD2 HIS 5 17.784 7.457 -5.299 37 HE1 HIS 5 HE1 HIS 5 13.666 8.021 -4.470 38 HE2 HIS 5 HE2 HIS 5 15.451 6.364 -5.082 39 H HIS 6 H HIS 6 16.804 10.182 -1.661 40 HA HIS 6 HA HIS 6 19.219 8.946 -0.601 41 HB2 HIS 6 2HB HIS 6 16.391 9.051 0.480 42 HB3 HIS 6 3HB HIS 6 17.765 8.366 1.337 43 HD1 HIS 6 HD1 HIS 6 19.610 10.078 2.146 44 HD2 HIS 6 HD2 HIS 6 16.136 11.799 0.650 45 HE1 HIS 6 HE1 HIS 6 19.647 12.462 2.928 46 HE2 HIS 6 HE2 HIS 6 17.473 13.445 2.130 47 H HIS 7 H HIS 7 19.257 6.669 0.067 48 HA HIS 7 HA HIS 7 17.272 4.854 -1.041 49 HB2 HIS 7 2HB HIS 7 18.903 5.355 -2.913 50 HB3 HIS 7 3HB HIS 7 20.159 4.604 -1.936 51 HD1 HIS 7 HD1 HIS 7 16.850 3.702 -3.581 52 HD2 HIS 7 HD2 HIS 7 20.350 1.894 -2.254 53 HE1 HIS 7 HE1 HIS 7 16.703 1.320 -4.337 54 HE2 HIS 7 HE2 HIS 7 18.734 0.208 -3.371 55 H HIS 8 H HIS 8 18.142 5.499 1.617 56 HA HIS 8 HA HIS 8 19.912 3.421 2.541 57 HB2 HIS 8 2HB HIS 8 19.479 4.290 4.796 58 HB3 HIS 8 3HB HIS 8 19.909 5.580 3.682 59 HD1 HIS 8 HD1 HIS 8 17.347 4.549 6.072 60 HD2 HIS 8 HD2 HIS 8 17.609 7.194 2.882 61 HE1 HIS 8 HE1 HIS 8 15.411 6.122 6.343 62 HE2 HIS 8 HE2 HIS 8 15.712 7.823 4.517 63 H SER 9 H SER 9 18.907 1.517 1.880 64 HA SER 9 HA SER 9 16.336 0.800 3.101 65 HB2 SER 9 2HB SER 9 16.521 -1.245 1.663 66 HB3 SER 9 3HB SER 9 16.550 0.259 0.743 67 HG SER 9 HG SER 9 18.310 -0.554 -0.077 68 H HIS 10 H HIS 10 16.107 -1.271 4.221 69 HA HIS 10 HA HIS 10 18.492 -2.593 5.192 70 HB2 HIS 10 2HB HIS 10 18.073 -2.187 7.571 71 HB3 HIS 10 3HB HIS 10 18.350 -0.671 6.725 72 HD1 HIS 10 HD1 HIS 10 16.027 -2.318 8.968 73 HD2 HIS 10 HD2 HIS 10 15.839 0.800 6.228 74 HE1 HIS 10 HE1 HIS 10 13.931 -1.058 9.528 75 HE2 HIS 10 HE2 HIS 10 13.892 0.881 7.930 76 H MET 11 H MET 11 18.098 -4.704 5.569 77 HA MET 11 HA MET 11 15.460 -5.739 5.122 78 HB2 MET 11 2HB MET 11 18.041 -7.118 5.888 79 HB3 MET 11 3HB MET 11 16.541 -7.965 5.529 80 HG2 MET 11 2HG MET 11 16.553 -7.037 3.264 81 HG3 MET 11 3HG MET 11 18.050 -6.178 3.628 82 HE1 MET 11 3HE MET 11 20.567 -9.125 4.169 83 HE2 MET 11 1HE MET 11 19.587 -8.352 5.415 84 HE3 MET 11 2HE MET 11 20.348 -7.378 4.158 85 H ALA 12 H ALA 12 14.099 -6.790 6.496 86 HA ALA 12 HA ALA 12 14.671 -7.232 9.282 87 HB1 ALA 12 3HB ALA 12 14.233 -4.829 9.341 88 HB2 ALA 12 1HB ALA 12 12.938 -5.712 10.148 89 HB3 ALA 12 2HB ALA 12 12.691 -5.073 8.523 90 H LYS 13 H LYS 13 12.235 -7.624 10.347 91 HA LYS 13 HA LYS 13 10.822 -9.379 8.436 92 HB2 LYS 13 2HB LYS 13 11.410 -9.941 11.354 93 HB3 LYS 13 3HB LYS 13 10.393 -10.942 10.326 94 HG2 LYS 13 2HG LYS 13 13.331 -10.402 9.873 95 HG3 LYS 13 3HG LYS 13 12.657 -11.864 10.599 96 HD2 LYS 13 2HD LYS 13 11.442 -12.333 8.511 97 HD3 LYS 13 3HD LYS 13 12.112 -10.867 7.792 98 HE2 LYS 13 2HE LYS 13 13.342 -12.843 7.053 99 HE3 LYS 13 3HE LYS 13 14.372 -11.786 8.016 100 HZ1 LYS 13 3HZ LYS 13 14.606 -14.167 8.562 101 HZ2 LYS 13 1HZ LYS 13 12.996 -14.192 9.075 102 HZ3 LYS 13 2HZ LYS 13 14.132 -13.235 9.887 103 HA PRO 14 HA PRO 14 7.094 -7.181 9.370 104 HB2 PRO 14 2HB PRO 14 5.769 -9.854 9.295 105 HB3 PRO 14 3HB PRO 14 5.388 -8.382 8.392 106 HG2 PRO 14 2HG PRO 14 6.611 -10.408 7.187 107 HG3 PRO 14 3HG PRO 14 7.100 -8.736 6.846 108 HD2 PRO 14 2HD PRO 14 8.435 -10.785 8.589 109 HD3 PRO 14 3HD PRO 14 9.162 -9.615 7.466 110 H THR 15 H THR 15 6.936 -6.429 11.407 111 HA THR 15 HA THR 15 6.806 -8.069 13.749 112 HB THR 15 HB THR 15 6.324 -5.983 14.965 113 HG1 THR 15 HG1 THR 15 6.560 -4.092 13.203 114 HG21 THR 15 3HG2 THR 15 8.488 -5.643 12.874 115 HG22 THR 15 1HG2 THR 15 8.660 -6.494 14.410 116 HG23 THR 15 2HG2 THR 15 8.374 -4.753 14.392 117 H ALA 16 H ALA 16 4.429 -6.524 11.674 118 HA ALA 16 HA ALA 16 2.197 -7.486 13.307 119 HB1 ALA 16 3HB ALA 16 0.774 -6.291 11.725 120 HB2 ALA 16 1HB ALA 16 2.169 -5.941 10.705 121 HB3 ALA 16 2HB ALA 16 2.056 -5.237 12.318 122 H ARG 17 H ARG 17 0.587 -8.934 12.441 123 HA ARG 17 HA ARG 17 1.715 -10.832 10.472 124 HB2 ARG 17 2HB ARG 17 -0.501 -11.361 12.457 125 HB3 ARG 17 3HB ARG 17 0.415 -12.546 11.534 126 HG2 ARG 17 2HG ARG 17 2.419 -12.029 12.815 127 HG3 ARG 17 3HG ARG 17 1.543 -10.780 13.707 128 HD2 ARG 17 2HD ARG 17 1.049 -13.759 13.751 129 HD3 ARG 17 3HD ARG 17 1.631 -12.750 15.074 130 HE ARG 17 HE ARG 17 -1.000 -12.095 14.017 131 HH11 ARG 17 1HH1 ARG 17 0.821 -13.717 16.462 132 HH12 ARG 17 2HH1 ARG 17 -0.531 -13.820 17.533 133 HH21 ARG 17 1HH2 ARG 17 -2.713 -12.270 15.390 134 HH22 ARG 17 2HH2 ARG 17 -2.504 -13.016 16.937 135 H GLY 18 H GLY 18 -1.194 -9.038 11.330 136 HA2 GLY 18 2HA GLY 18 -2.695 -8.268 9.562 137 HA3 GLY 18 3HA GLY 18 -2.431 -9.805 8.750 138 H GLU 19 H GLU 19 -4.849 -8.297 10.018 139 HA GLU 19 HA GLU 19 -5.763 -10.155 12.042 140 HB2 GLU 19 2HB GLU 19 -6.273 -7.717 12.095 141 HB3 GLU 19 3HB GLU 19 -7.263 -7.921 10.659 142 HG2 GLU 19 2HG GLU 19 -8.618 -7.815 12.675 143 HG3 GLU 19 3HG GLU 19 -8.774 -9.380 11.877 144 H ALA 20 H ALA 20 -6.001 -9.850 8.620 145 HA ALA 20 HA ALA 20 -6.807 -11.248 7.013 146 HB1 ALA 20 3HB ALA 20 -7.300 -13.570 7.581 147 HB2 ALA 20 1HB ALA 20 -7.327 -13.157 9.296 148 HB3 ALA 20 2HB ALA 20 -5.825 -13.027 8.383 149 H GLY 21 H GLY 21 -8.628 -9.401 8.580 150 HA2 GLY 21 2HA GLY 21 -11.230 -10.714 8.315 151 HA3 GLY 21 3HA GLY 21 -10.936 -9.098 8.934 152 H SER 22 H SER 22 -9.632 -7.829 6.974 153 HA SER 22 HA SER 22 -11.722 -7.445 5.020 154 HB2 SER 22 2HB SER 22 -9.072 -6.038 5.422 155 HB3 SER 22 3HB SER 22 -10.275 -5.564 4.222 156 HG SER 22 HG SER 22 -10.184 -5.023 6.876 157 H ARG 23 H ARG 23 -11.577 -7.633 2.801 158 HA ARG 23 HA ARG 23 -10.386 -9.856 1.699 159 HB2 ARG 23 2HB ARG 23 -10.874 -8.817 -0.512 160 HB3 ARG 23 3HB ARG 23 -12.224 -8.741 0.615 161 HG2 ARG 23 2HG ARG 23 -11.616 -6.395 1.135 162 HG3 ARG 23 3HG ARG 23 -10.332 -6.488 -0.071 163 HD2 ARG 23 2HD ARG 23 -13.288 -6.833 -0.603 164 HD3 ARG 23 3HD ARG 23 -12.339 -5.389 -0.956 165 HE ARG 23 HE ARG 23 -11.639 -7.951 -2.210 166 HH11 ARG 23 1HH1 ARG 23 -12.689 -4.678 -2.500 167 HH12 ARG 23 2HH1 ARG 23 -12.523 -4.671 -4.216 168 HH21 ARG 23 1HH2 ARG 23 -11.438 -7.925 -4.397 169 HH22 ARG 23 2HH2 ARG 23 -11.812 -6.487 -5.281 170 H ASP 24 H ASP 24 -9.082 -6.573 1.810 171 HA ASP 24 HA ASP 24 -6.878 -6.947 0.094 172 HB2 ASP 24 2HB ASP 24 -5.938 -4.946 1.429 173 HB3 ASP 24 3HB ASP 24 -7.450 -4.715 0.554 174 H GLU 25 H GLU 25 -7.141 -7.299 3.630 175 HA GLU 25 HA GLU 25 -4.496 -7.711 4.286 176 HB2 GLU 25 2HB GLU 25 -6.932 -9.050 5.475 177 HB3 GLU 25 3HB GLU 25 -5.332 -9.081 6.202 178 HG2 GLU 25 2HG GLU 25 -5.400 -6.589 6.295 179 HG3 GLU 25 3HG GLU 25 -7.072 -6.669 5.746 180 H ARG 26 H ARG 26 -6.807 -10.139 3.092 181 HA ARG 26 HA ARG 26 -5.289 -12.435 3.447 182 HB2 ARG 26 2HB ARG 26 -7.183 -11.807 1.168 183 HB3 ARG 26 3HB ARG 26 -6.596 -13.415 1.578 184 HG2 ARG 26 2HG ARG 26 -7.647 -13.125 3.842 185 HG3 ARG 26 3HG ARG 26 -8.376 -11.636 3.237 186 HD2 ARG 26 2HD ARG 26 -9.965 -13.459 3.074 187 HD3 ARG 26 3HD ARG 26 -9.495 -12.930 1.460 188 HE ARG 26 HE ARG 26 -7.840 -14.938 1.726 189 HH11 ARG 26 1HH1 ARG 26 -11.139 -14.806 2.722 190 HH12 ARG 26 2HH1 ARG 26 -11.371 -16.508 2.540 191 HH21 ARG 26 1HH2 ARG 26 -8.144 -17.121 1.527 192 HH22 ARG 26 2HH2 ARG 26 -9.694 -17.804 1.872 193 H ARG 27 H ARG 27 -4.920 -9.947 1.003 194 HA ARG 27 HA ARG 27 -2.908 -11.461 -0.461 195 HB2 ARG 27 2HB ARG 27 -3.983 -8.650 -0.735 196 HB3 ARG 27 3HB ARG 27 -2.596 -9.213 -1.660 197 HG2 ARG 27 2HG ARG 27 -4.516 -9.412 -3.046 198 HG3 ARG 27 3HG ARG 27 -4.034 -11.039 -2.574 199 HD2 ARG 27 2HD ARG 27 -5.787 -11.003 -0.817 200 HD3 ARG 27 3HD ARG 27 -6.294 -9.417 -1.398 201 HE ARG 27 HE ARG 27 -6.287 -11.280 -3.517 202 HH11 ARG 27 1HH1 ARG 27 -8.092 -10.372 -0.729 203 HH12 ARG 27 2HH1 ARG 27 -9.564 -11.044 -1.334 204 HH21 ARG 27 1HH2 ARG 27 -8.159 -12.113 -4.292 205 HH22 ARG 27 2HH2 ARG 27 -9.608 -12.010 -3.354 206 H ALA 28 H ALA 28 -3.043 -8.703 1.763 207 HA ALA 28 HA ALA 28 -0.361 -7.937 1.716 208 HB1 ALA 28 3HB ALA 28 -2.143 -6.621 2.765 209 HB2 ALA 28 1HB ALA 28 -0.783 -6.866 3.860 210 HB3 ALA 28 2HB ALA 28 -2.259 -7.810 4.062 211 H LEU 29 H LEU 29 -1.936 -10.166 4.042 212 HA LEU 29 HA LEU 29 0.497 -10.880 5.323 213 HB2 LEU 29 2HB LEU 29 -0.848 -12.709 6.359 214 HB3 LEU 29 3HB LEU 29 -1.506 -11.099 6.565 215 HG LEU 29 HG LEU 29 -2.975 -11.746 4.475 216 HD11 LEU 29 1HD1 LEU 29 -2.307 -14.470 5.586 217 HD12 LEU 29 2HD1 LEU 29 -1.902 -13.863 3.981 218 HD13 LEU 29 3HD1 LEU 29 -3.589 -14.112 4.425 219 HD21 LEU 29 3HD2 LEU 29 -4.723 -12.548 5.977 220 HD22 LEU 29 1HD2 LEU 29 -3.835 -11.202 6.692 221 HD23 LEU 29 2HD2 LEU 29 -3.520 -12.852 7.233 222 H ALA 30 H ALA 30 -1.197 -12.197 2.543 223 HA ALA 30 HA ALA 30 0.159 -14.661 2.328 224 HB1 ALA 30 3HB ALA 30 -0.974 -12.940 0.114 225 HB2 ALA 30 1HB ALA 30 -1.870 -14.136 1.053 226 HB3 ALA 30 2HB ALA 30 -0.561 -14.651 -0.011 227 H MET 31 H MET 31 1.032 -11.403 1.334 228 HA MET 31 HA MET 31 3.566 -12.358 0.191 229 HB2 MET 31 2HB MET 31 2.354 -9.577 0.207 230 HB3 MET 31 3HB MET 31 3.847 -10.034 -0.604 231 HG2 MET 31 2HG MET 31 1.104 -11.106 -1.235 232 HG3 MET 31 3HG MET 31 1.975 -9.888 -2.162 233 HE1 MET 31 3HE MET 31 4.159 -10.384 -3.589 234 HE2 MET 31 1HE MET 31 4.980 -11.946 -3.602 235 HE3 MET 31 2HE MET 31 4.955 -10.977 -2.130 236 H LYS 32 H LYS 32 2.311 -11.127 3.086 237 HA LYS 32 HA LYS 32 3.209 -10.617 5.095 238 HB2 LYS 32 2HB LYS 32 5.874 -11.272 3.829 239 HB3 LYS 32 3HB LYS 32 5.602 -10.997 5.544 240 HG2 LYS 32 2HG LYS 32 4.041 -12.941 5.552 241 HG3 LYS 32 3HG LYS 32 4.482 -13.246 3.871 242 HD2 LYS 32 2HD LYS 32 5.764 -14.692 5.345 243 HD3 LYS 32 3HD LYS 32 6.836 -13.528 4.560 244 HE2 LYS 32 2HE LYS 32 6.882 -12.164 6.561 245 HE3 LYS 32 3HE LYS 32 5.707 -13.219 7.347 246 HZ1 LYS 32 3HZ LYS 32 8.471 -13.934 6.546 247 HZ2 LYS 32 1HZ LYS 32 7.342 -15.029 7.166 248 HZ3 LYS 32 2HZ LYS 32 7.884 -13.751 8.122 249 H ILE 33 H ILE 33 2.535 -8.509 4.976 250 HA ILE 33 HA ILE 33 4.504 -6.483 4.136 251 HB ILE 33 HB ILE 33 1.526 -6.198 4.625 252 HG12 ILE 33 2HG1 ILE 33 2.034 -7.480 2.585 253 HG13 ILE 33 3HG1 ILE 33 1.362 -5.905 2.181 254 HG21 ILE 33 1HG2 ILE 33 1.773 -3.945 3.669 255 HG22 ILE 33 2HG2 ILE 33 3.520 -4.173 3.597 256 HG23 ILE 33 3HG2 ILE 33 2.699 -4.134 5.157 257 HD11 ILE 33 3HD1 ILE 33 3.181 -6.483 0.692 258 HD12 ILE 33 1HD1 ILE 33 4.270 -6.679 2.064 259 HD13 ILE 33 2HD1 ILE 33 3.618 -5.088 1.677 260 HA PRO 34 HA PRO 34 5.068 -5.970 8.573 261 HB2 PRO 34 2HB PRO 34 7.182 -4.316 8.499 262 HB3 PRO 34 3HB PRO 34 7.314 -6.013 8.019 263 HG2 PRO 34 2HG PRO 34 7.019 -3.575 6.295 264 HG3 PRO 34 3HG PRO 34 8.118 -4.953 6.094 265 HD2 PRO 34 2HD PRO 34 5.757 -4.694 4.736 266 HD3 PRO 34 3HD PRO 34 6.491 -6.262 5.125 267 H PHE 35 H PHE 35 3.299 -3.973 6.854 268 HA PHE 35 HA PHE 35 3.013 -2.071 9.031 269 HB2 PHE 35 2HB PHE 35 2.966 -0.112 7.410 270 HB3 PHE 35 3HB PHE 35 4.548 -0.797 7.755 271 HD1 PHE 35 HD2 PHE 35 1.925 -0.417 5.199 272 HD2 PHE 35 HD1 PHE 35 5.828 -1.912 6.049 273 HE1 PHE 35 HE2 PHE 35 2.360 -0.672 2.790 274 HE2 PHE 35 HE1 PHE 35 6.259 -2.164 3.643 275 HZ PHE 35 HZ PHE 35 4.524 -1.545 2.011 276 HA PRO 36 HA PRO 36 -1.273 -2.649 8.322 277 HB2 PRO 36 2HB PRO 36 -2.275 -0.201 9.076 278 HB3 PRO 36 3HB PRO 36 -1.746 -1.449 10.207 279 HG2 PRO 36 2HG PRO 36 -0.256 0.955 9.211 280 HG3 PRO 36 3HG PRO 36 -0.371 0.316 10.863 281 HD2 PRO 36 2HD PRO 36 1.791 -0.143 9.350 282 HD3 PRO 36 3HD PRO 36 1.157 -1.391 10.442 283 H THR 37 H THR 37 -2.977 -2.237 6.931 284 HA THR 37 HA THR 37 -2.299 -1.358 4.342 285 HB THR 37 HB THR 37 -4.692 -1.695 3.789 286 HG1 THR 37 HG1 THR 37 -6.116 -2.307 5.465 287 HG21 THR 37 3HG2 THR 37 -3.194 -3.638 3.843 288 HG22 THR 37 1HG2 THR 37 -4.815 -4.080 4.378 289 HG23 THR 37 2HG2 THR 37 -3.526 -3.857 5.561 290 H ASP 38 H ASP 38 -4.072 0.280 6.941 291 HA ASP 38 HA ASP 38 -5.091 2.428 5.452 292 HB2 ASP 38 2HB ASP 38 -5.164 3.643 7.645 293 HB3 ASP 38 3HB ASP 38 -5.905 2.046 7.680 294 H LYS 39 H LYS 39 -1.986 2.090 7.128 295 HA LYS 39 HA LYS 39 -0.899 4.608 6.805 296 HB2 LYS 39 2HB LYS 39 0.141 2.762 8.078 297 HB3 LYS 39 3HB LYS 39 0.532 1.945 6.571 298 HG2 LYS 39 2HG LYS 39 1.954 3.885 5.949 299 HG3 LYS 39 3HG LYS 39 1.635 4.581 7.539 300 HD2 LYS 39 2HD LYS 39 2.943 1.901 7.029 301 HD3 LYS 39 3HD LYS 39 3.796 3.388 7.445 302 HE2 LYS 39 2HE LYS 39 1.731 2.015 9.176 303 HE3 LYS 39 3HE LYS 39 3.476 1.890 9.383 304 HZ1 LYS 39 3HZ LYS 39 1.850 4.366 9.631 305 HZ2 LYS 39 1HZ LYS 39 3.539 4.302 9.741 306 HZ3 LYS 39 2HZ LYS 39 2.585 3.511 10.890 307 H ILE 40 H ILE 40 -0.999 1.949 4.492 308 HA ILE 40 HA ILE 40 0.699 2.817 2.495 309 HB ILE 40 HB ILE 40 -1.915 1.319 2.213 310 HG12 ILE 40 2HG1 ILE 40 0.942 0.341 2.458 311 HG13 ILE 40 3HG1 ILE 40 -0.297 0.234 3.705 312 HG21 ILE 40 1HG2 ILE 40 -1.049 0.491 0.074 313 HG22 ILE 40 2HG2 ILE 40 0.359 1.538 0.238 314 HG23 ILE 40 3HG2 ILE 40 -1.248 2.243 0.055 315 HD11 ILE 40 3HD1 ILE 40 0.007 -1.896 2.610 316 HD12 ILE 40 1HD1 ILE 40 -0.328 -1.166 1.041 317 HD13 ILE 40 2HD1 ILE 40 -1.599 -1.256 2.261 318 H VAL 41 H VAL 41 -2.720 3.715 2.961 319 HA VAL 41 HA VAL 41 -2.726 5.283 0.502 320 HB VAL 41 HB VAL 41 -4.943 4.942 2.538 321 HG11 VAL 41 1HG1 VAL 41 -5.023 5.939 -0.317 322 HG12 VAL 41 2HG1 VAL 41 -5.256 6.908 1.138 323 HG13 VAL 41 3HG1 VAL 41 -6.428 5.661 0.715 324 HG21 VAL 41 3HG2 VAL 41 -5.869 3.255 1.020 325 HG22 VAL 41 1HG2 VAL 41 -4.277 2.782 1.611 326 HG23 VAL 41 2HG2 VAL 41 -4.457 3.411 -0.026 327 H ASN 42 H ASN 42 -2.670 5.862 3.985 328 HA ASN 42 HA ASN 42 -3.413 8.636 3.723 329 HB2 ASN 42 2HB ASN 42 -2.606 6.943 6.078 330 HB3 ASN 42 3HB ASN 42 -2.901 8.675 6.224 331 HD21 ASN 42 1HD2 ASN 42 -4.347 5.575 5.620 332 HD22 ASN 42 2HD2 ASN 42 -5.985 6.088 5.777 333 H LEU 43 H LEU 43 -0.350 6.946 3.830 334 HA LEU 43 HA LEU 43 1.258 9.130 4.672 335 HB2 LEU 43 2HB LEU 43 1.902 6.695 3.014 336 HB3 LEU 43 3HB LEU 43 3.113 7.897 3.417 337 HG LEU 43 HG LEU 43 1.606 6.126 5.344 338 HD11 LEU 43 1HD1 LEU 43 3.841 5.243 5.843 339 HD12 LEU 43 2HD1 LEU 43 4.526 6.290 4.597 340 HD13 LEU 43 3HD1 LEU 43 3.402 5.005 4.152 341 HD21 LEU 43 3HD2 LEU 43 3.590 8.333 5.926 342 HD22 LEU 43 1HD2 LEU 43 2.983 7.167 7.105 343 HD23 LEU 43 2HD2 LEU 43 1.880 8.319 6.355 344 HA PRO 44 HA PRO 44 1.305 11.778 1.045 345 HB2 PRO 44 2HB PRO 44 3.832 12.838 1.398 346 HB3 PRO 44 3HB PRO 44 2.383 13.419 2.223 347 HG2 PRO 44 2HG PRO 44 4.507 11.551 3.204 348 HG3 PRO 44 3HG PRO 44 3.687 12.866 4.067 349 HD2 PRO 44 2HD PRO 44 3.018 10.291 4.453 350 HD3 PRO 44 3HD PRO 44 1.794 11.581 4.478 351 H VAL 45 H VAL 45 2.528 12.022 -0.995 352 HA VAL 45 HA VAL 45 3.058 9.503 -2.063 353 HB VAL 45 HB VAL 45 2.280 11.287 -3.479 354 HG11 VAL 45 1HG1 VAL 45 4.971 12.586 -3.054 355 HG12 VAL 45 2HG1 VAL 45 3.415 13.178 -2.471 356 HG13 VAL 45 3HG1 VAL 45 3.744 13.122 -4.202 357 HG21 VAL 45 3HG2 VAL 45 3.757 10.968 -5.414 358 HG22 VAL 45 1HG2 VAL 45 3.486 9.454 -4.551 359 HG23 VAL 45 2HG2 VAL 45 5.009 10.322 -4.354 360 H ASP 46 H ASP 46 5.459 12.009 -1.146 361 HA ASP 46 HA ASP 46 7.752 10.630 -1.986 362 HB2 ASP 46 2HB ASP 46 7.323 12.653 0.209 363 HB3 ASP 46 3HB ASP 46 8.914 11.981 -0.136 364 H ASP 47 H ASP 47 6.342 10.722 1.306 365 HA ASP 47 HA ASP 47 8.055 8.777 2.401 366 HB2 ASP 47 2HB ASP 47 5.311 9.723 3.245 367 HB3 ASP 47 3HB ASP 47 6.268 8.585 4.190 368 H PHE 48 H PHE 48 5.147 8.438 0.487 369 HA PHE 48 HA PHE 48 4.634 5.701 1.047 370 HB2 PHE 48 2HB PHE 48 2.931 7.055 -0.028 371 HB3 PHE 48 3HB PHE 48 3.991 7.367 -1.399 372 HD1 PHE 48 HD2 PHE 48 2.397 4.536 0.437 373 HD2 PHE 48 HD1 PHE 48 3.808 6.040 -3.291 374 HE1 PHE 48 HE2 PHE 48 1.504 2.549 -0.705 375 HE2 PHE 48 HE1 PHE 48 2.917 4.054 -4.431 376 HZ PHE 48 HZ PHE 48 1.761 2.307 -3.141 377 H ASN 49 H ASN 49 6.396 7.255 -1.656 378 HA ASN 49 HA ASN 49 7.385 4.882 -2.808 379 HB2 ASN 49 2HB ASN 49 8.436 7.720 -2.844 380 HB3 ASN 49 3HB ASN 49 9.212 6.413 -3.733 381 HD21 ASN 49 1HD2 ASN 49 6.481 8.531 -3.577 382 HD22 ASN 49 2HD2 ASN 49 5.816 8.109 -5.113 383 H GLU 50 H GLU 50 8.667 6.950 -0.243 384 HA GLU 50 HA GLU 50 11.074 5.445 0.122 385 HB2 GLU 50 2HB GLU 50 9.664 7.467 1.868 386 HB3 GLU 50 3HB GLU 50 11.197 6.722 2.306 387 HG2 GLU 50 2HG GLU 50 12.209 7.642 0.257 388 HG3 GLU 50 3HG GLU 50 10.676 8.422 -0.129 389 H LEU 51 H LEU 51 7.816 5.153 1.360 390 HA LEU 51 HA LEU 51 8.150 3.575 3.612 391 HB2 LEU 51 2HB LEU 51 5.984 4.426 2.792 392 HB3 LEU 51 3HB LEU 51 6.051 3.303 1.450 393 HG LEU 51 HG LEU 51 5.949 1.414 3.081 394 HD11 LEU 51 1HD1 LEU 51 6.853 2.564 5.036 395 HD12 LEU 51 2HD1 LEU 51 5.268 1.869 5.380 396 HD13 LEU 51 3HD1 LEU 51 5.425 3.603 5.092 397 HD21 LEU 51 3HD2 LEU 51 3.561 1.699 3.606 398 HD22 LEU 51 1HD2 LEU 51 3.936 2.175 1.950 399 HD23 LEU 51 2HD2 LEU 51 3.681 3.407 3.185 400 H LEU 52 H LEU 52 8.148 2.620 0.213 401 HA LEU 52 HA LEU 52 8.446 -0.179 0.668 402 HB2 LEU 52 2HB LEU 52 9.102 1.414 -1.815 403 HB3 LEU 52 3HB LEU 52 8.825 -0.317 -1.729 404 HG LEU 52 HG LEU 52 6.749 1.817 -1.171 405 HD11 LEU 52 1HD1 LEU 52 7.363 1.690 -3.542 406 HD12 LEU 52 2HD1 LEU 52 5.720 1.118 -3.257 407 HD13 LEU 52 3HD1 LEU 52 7.019 -0.041 -3.536 408 HD21 LEU 52 3HD2 LEU 52 6.363 -0.207 0.144 409 HD22 LEU 52 1HD2 LEU 52 6.471 -1.188 -1.319 410 HD23 LEU 52 2HD2 LEU 52 5.151 -0.035 -1.124 411 H ALA 53 H ALA 53 10.685 2.448 0.641 412 HA ALA 53 HA ALA 53 13.027 0.737 0.310 413 HB1 ALA 53 3HB ALA 53 14.326 2.785 0.466 414 HB2 ALA 53 1HB ALA 53 12.878 3.692 0.908 415 HB3 ALA 53 2HB ALA 53 13.015 2.980 -0.699 416 H ARG 54 H ARG 54 11.292 2.424 2.850 417 HA ARG 54 HA ARG 54 13.259 2.047 4.901 418 HB2 ARG 54 2HB ARG 54 10.311 2.725 5.128 419 HB3 ARG 54 3HB ARG 54 11.492 2.856 6.424 420 HG2 ARG 54 2HG ARG 54 12.645 4.631 5.291 421 HG3 ARG 54 3HG ARG 54 11.665 4.407 3.842 422 HD2 ARG 54 2HD ARG 54 9.651 5.025 5.190 423 HD3 ARG 54 3HD ARG 54 10.721 5.393 6.540 424 HE ARG 54 HE ARG 54 11.674 6.891 4.449 425 HH11 ARG 54 1HH1 ARG 54 8.647 6.642 6.085 426 HH12 ARG 54 2HH1 ARG 54 8.233 8.294 5.783 427 HH21 ARG 54 1HH2 ARG 54 11.101 9.000 4.062 428 HH22 ARG 54 2HH2 ARG 54 9.591 9.599 4.666 429 H TYR 55 H TYR 55 10.404 0.311 3.803 430 HA TYR 55 HA TYR 55 10.922 -1.813 5.786 431 HB2 TYR 55 2HB TYR 55 8.415 -1.204 4.193 432 HB3 TYR 55 3HB TYR 55 8.603 -2.580 5.274 433 HD1 TYR 55 HD2 TYR 55 8.769 1.155 5.262 434 HD2 TYR 55 HD1 TYR 55 7.969 -2.363 7.521 435 HE1 TYR 55 HE2 TYR 55 7.983 2.542 7.132 436 HE2 TYR 55 HE1 TYR 55 7.179 -0.983 9.395 437 HH TYR 55 HH TYR 55 7.301 1.215 10.263 438 HA PRO 56 HA PRO 56 12.628 -4.097 2.355 439 HB2 PRO 56 2HB PRO 56 12.820 -6.538 3.543 440 HB3 PRO 56 3HB PRO 56 13.901 -5.192 3.930 441 HG2 PRO 56 2HG PRO 56 11.446 -6.121 5.393 442 HG3 PRO 56 3HG PRO 56 13.038 -5.691 6.049 443 HD2 PRO 56 2HD PRO 56 10.974 -3.968 6.114 444 HD3 PRO 56 3HD PRO 56 12.643 -3.414 5.869 445 H LEU 57 H LEU 57 11.200 -4.330 0.695 446 HA LEU 57 HA LEU 57 9.293 -6.582 0.843 447 HB2 LEU 57 2HB LEU 57 8.828 -3.911 -0.505 448 HB3 LEU 57 3HB LEU 57 7.750 -5.291 -0.599 449 HG LEU 57 HG LEU 57 8.408 -3.751 1.920 450 HD11 LEU 57 1HD1 LEU 57 7.026 -2.462 0.394 451 HD12 LEU 57 2HD1 LEU 57 6.080 -2.992 1.784 452 HD13 LEU 57 3HD1 LEU 57 5.906 -3.816 0.233 453 HD21 LEU 57 3HD2 LEU 57 6.459 -6.017 1.470 454 HD22 LEU 57 1HD2 LEU 57 6.639 -5.088 2.958 455 HD23 LEU 57 2HD2 LEU 57 7.961 -6.107 2.390 456 H THR 58 H THR 58 9.017 -7.805 -1.035 457 HA THR 58 HA THR 58 11.075 -7.584 -3.075 458 HB THR 58 HB THR 58 10.215 -9.667 -3.978 459 HG1 THR 58 HG1 THR 58 8.287 -10.232 -2.144 460 HG21 THR 58 3HG2 THR 58 10.471 -11.142 -2.034 461 HG22 THR 58 1HG2 THR 58 10.247 -9.767 -0.954 462 HG23 THR 58 2HG2 THR 58 11.663 -9.842 -2.004 463 H GLU 59 H GLU 59 10.458 -7.672 -5.423 464 HA GLU 59 HA GLU 59 9.244 -5.368 -6.216 465 HB2 GLU 59 2HB GLU 59 9.379 -7.950 -7.778 466 HB3 GLU 59 3HB GLU 59 9.014 -6.377 -8.479 467 HG2 GLU 59 2HG GLU 59 11.231 -5.571 -7.695 468 HG3 GLU 59 3HG GLU 59 11.585 -7.205 -7.138 469 H SER 60 H SER 60 7.566 -8.539 -6.179 470 HA SER 60 HA SER 60 5.086 -7.555 -7.112 471 HB2 SER 60 2HB SER 60 5.670 -10.000 -5.422 472 HB3 SER 60 3HB SER 60 4.122 -9.666 -6.198 473 HG SER 60 HG SER 60 6.505 -10.554 -7.286 474 H GLN 61 H GLN 61 6.460 -7.693 -3.870 475 HA GLN 61 HA GLN 61 4.060 -7.071 -2.468 476 HB2 GLN 61 2HB GLN 61 6.963 -6.657 -1.714 477 HB3 GLN 61 3HB GLN 61 5.616 -6.371 -0.620 478 HG2 GLN 61 2HG GLN 61 4.967 -8.734 -0.823 479 HG3 GLN 61 3HG GLN 61 6.346 -9.009 -1.887 480 HE21 GLN 61 1HE2 GLN 61 5.350 -8.307 1.376 481 HE22 GLN 61 2HE2 GLN 61 6.839 -8.729 2.128 482 H LEU 62 H LEU 62 6.677 -5.047 -3.808 483 HA LEU 62 HA LEU 62 5.645 -2.552 -3.001 484 HB2 LEU 62 2HB LEU 62 7.312 -3.323 -5.398 485 HB3 LEU 62 3HB LEU 62 6.848 -1.665 -5.076 486 HG LEU 62 HG LEU 62 8.020 -1.918 -2.814 487 HD11 LEU 62 1HD1 LEU 62 9.204 -4.332 -4.167 488 HD12 LEU 62 2HD1 LEU 62 8.125 -4.352 -2.773 489 HD13 LEU 62 3HD1 LEU 62 9.725 -3.626 -2.637 490 HD21 LEU 62 3HD2 LEU 62 8.962 -0.635 -4.662 491 HD22 LEU 62 1HD2 LEU 62 9.678 -2.101 -5.332 492 HD23 LEU 62 2HD2 LEU 62 10.227 -1.483 -3.772 493 H ALA 63 H ALA 63 5.058 -4.467 -5.928 494 HA ALA 63 HA ALA 63 3.230 -2.742 -7.188 495 HB1 ALA 63 3HB ALA 63 4.283 -4.667 -8.299 496 HB2 ALA 63 1HB ALA 63 2.527 -4.691 -8.467 497 HB3 ALA 63 2HB ALA 63 3.318 -5.758 -7.308 498 H LEU 64 H LEU 64 2.727 -5.317 -4.792 499 HA LEU 64 HA LEU 64 -0.087 -5.248 -4.704 500 HB2 LEU 64 2HB LEU 64 1.220 -7.059 -3.713 501 HB3 LEU 64 3HB LEU 64 1.902 -5.950 -2.537 502 HG LEU 64 HG LEU 64 -0.377 -5.610 -1.587 503 HD11 LEU 64 1HD1 LEU 64 -1.162 -7.824 -3.478 504 HD12 LEU 64 2HD1 LEU 64 -1.694 -6.144 -3.560 505 HD13 LEU 64 3HD1 LEU 64 -2.170 -7.152 -2.195 506 HD21 LEU 64 3HD2 LEU 64 1.173 -7.218 -0.596 507 HD22 LEU 64 1HD2 LEU 64 0.557 -8.482 -1.662 508 HD23 LEU 64 2HD2 LEU 64 -0.498 -7.760 -0.444 509 H VAL 65 H VAL 65 2.300 -3.580 -2.620 510 HA VAL 65 HA VAL 65 0.505 -2.139 -1.035 511 HB VAL 65 HB VAL 65 3.286 -1.323 -1.926 512 HG11 VAL 65 1HG1 VAL 65 2.057 0.612 -1.081 513 HG12 VAL 65 2HG1 VAL 65 3.314 0.126 0.057 514 HG13 VAL 65 3HG1 VAL 65 1.628 -0.281 0.377 515 HG21 VAL 65 3HG2 VAL 65 3.985 -2.226 0.257 516 HG22 VAL 65 1HG2 VAL 65 3.264 -3.464 -0.771 517 HG23 VAL 65 2HG2 VAL 65 2.333 -2.767 0.555 518 H ARG 66 H ARG 66 2.012 -1.207 -4.132 519 HA ARG 66 HA ARG 66 0.725 1.305 -4.367 520 HB2 ARG 66 2HB ARG 66 1.842 -0.554 -6.478 521 HB3 ARG 66 3HB ARG 66 1.270 1.074 -6.813 522 HG2 ARG 66 2HG ARG 66 2.977 1.992 -5.314 523 HG3 ARG 66 3HG ARG 66 3.548 0.359 -4.964 524 HD2 ARG 66 2HD ARG 66 4.145 0.051 -7.314 525 HD3 ARG 66 3HD ARG 66 3.530 1.659 -7.694 526 HE ARG 66 HE ARG 66 5.486 1.919 -5.711 527 HH11 ARG 66 1HH1 ARG 66 5.211 1.098 -9.052 528 HH12 ARG 66 2HH1 ARG 66 6.844 1.550 -9.403 529 HH21 ARG 66 1HH2 ARG 66 7.579 2.495 -6.195 530 HH22 ARG 66 2HH2 ARG 66 8.162 2.316 -7.815 531 H ASP 67 H ASP 67 -0.349 -1.955 -5.070 532 HA ASP 67 HA ASP 67 -2.634 -1.185 -6.618 533 HB2 ASP 67 2HB ASP 67 -1.432 -3.473 -6.570 534 HB3 ASP 67 3HB ASP 67 -2.359 -3.787 -5.107 535 H ILE 68 H ILE 68 -2.143 -2.144 -3.221 536 HA ILE 68 HA ILE 68 -4.784 -1.935 -2.337 537 HB ILE 68 HB ILE 68 -2.238 -1.334 -0.801 538 HG12 ILE 68 2HG1 ILE 68 -3.895 -3.872 -1.000 539 HG13 ILE 68 3HG1 ILE 68 -2.324 -3.614 -1.751 540 HG21 ILE 68 1HG2 ILE 68 -4.179 -0.371 0.326 541 HG22 ILE 68 2HG2 ILE 68 -3.573 -1.761 1.223 542 HG23 ILE 68 3HG2 ILE 68 -5.023 -1.917 0.231 543 HD11 ILE 68 3HD1 ILE 68 -2.861 -3.643 1.213 544 HD12 ILE 68 1HD1 ILE 68 -1.289 -3.439 0.440 545 HD13 ILE 68 2HD1 ILE 68 -2.162 -4.962 0.272 546 H ARG 69 H ARG 69 -2.237 0.574 -2.486 547 HA ARG 69 HA ARG 69 -3.819 2.720 -1.590 548 HB2 ARG 69 2HB ARG 69 -1.486 3.115 -1.728 549 HB3 ARG 69 3HB ARG 69 -1.419 2.621 -3.417 550 HG2 ARG 69 2HG ARG 69 -2.535 4.612 -4.126 551 HG3 ARG 69 3HG ARG 69 -2.913 5.064 -2.465 552 HD2 ARG 69 2HD ARG 69 -0.091 4.815 -3.505 553 HD3 ARG 69 3HD ARG 69 -1.010 6.320 -3.558 554 HE ARG 69 HE ARG 69 -0.574 4.938 -0.998 555 HH11 ARG 69 1HH1 ARG 69 -0.096 7.699 -3.017 556 HH12 ARG 69 2HH1 ARG 69 0.413 8.693 -1.701 557 HH21 ARG 69 1HH2 ARG 69 0.097 6.218 0.657 558 HH22 ARG 69 2HH2 ARG 69 0.512 7.869 0.361 559 H ARG 70 H ARG 70 -3.476 1.293 -4.810 560 HA ARG 70 HA ARG 70 -4.954 3.183 -6.274 561 HB2 ARG 70 2HB ARG 70 -3.611 1.381 -7.302 562 HB3 ARG 70 3HB ARG 70 -4.763 0.190 -6.717 563 HG2 ARG 70 2HG ARG 70 -6.518 1.267 -8.110 564 HG3 ARG 70 3HG ARG 70 -5.282 2.350 -8.759 565 HD2 ARG 70 2HD ARG 70 -5.373 -0.660 -9.011 566 HD3 ARG 70 3HD ARG 70 -5.637 0.519 -10.298 567 HE ARG 70 HE ARG 70 -3.083 0.867 -9.111 568 HH11 ARG 70 1HH1 ARG 70 -4.793 -1.179 -11.293 569 HH12 ARG 70 2HH1 ARG 70 -3.362 -1.641 -12.143 570 HH21 ARG 70 1HH2 ARG 70 -1.266 0.246 -10.180 571 HH22 ARG 70 2HH2 ARG 70 -1.381 -0.845 -11.519 572 H ARG 71 H ARG 71 -6.042 0.176 -4.684 573 HA ARG 71 HA ARG 71 -8.778 0.487 -5.381 574 HB2 ARG 71 2HB ARG 71 -7.760 -1.089 -3.014 575 HB3 ARG 71 3HB ARG 71 -9.212 -1.378 -3.963 576 HG2 ARG 71 2HG ARG 71 -6.358 -1.792 -4.836 577 HG3 ARG 71 3HG ARG 71 -7.570 -3.033 -4.527 578 HD2 ARG 71 2HD ARG 71 -7.777 -0.939 -6.694 579 HD3 ARG 71 3HD ARG 71 -7.176 -2.575 -6.944 580 HE ARG 71 HE ARG 71 -9.674 -2.825 -5.784 581 HH11 ARG 71 1HH1 ARG 71 -8.363 -1.532 -8.689 582 HH12 ARG 71 2HH1 ARG 71 -9.784 -1.856 -9.612 583 HH21 ARG 71 1HH2 ARG 71 -11.484 -3.251 -6.969 584 HH22 ARG 71 2HH2 ARG 71 -11.539 -2.841 -8.647 585 H GLY 72 H GLY 72 -6.928 1.361 -2.482 586 HA2 GLY 72 2HA GLY 72 -9.145 2.323 -0.979 587 HA3 GLY 72 3HA GLY 72 -7.458 2.712 -0.690 588 H LYS 73 H LYS 73 -6.904 3.920 -3.196 589 HA LYS 73 HA LYS 73 -7.766 6.569 -2.783 590 HB2 LYS 73 2HB LYS 73 -5.683 6.071 -3.948 591 HB3 LYS 73 3HB LYS 73 -6.564 5.268 -5.240 592 HG2 LYS 73 2HG LYS 73 -7.608 7.412 -5.844 593 HG3 LYS 73 3HG LYS 73 -6.690 8.208 -4.566 594 HD2 LYS 73 2HD LYS 73 -5.427 6.702 -6.864 595 HD3 LYS 73 3HD LYS 73 -5.711 8.442 -6.870 596 HE2 LYS 73 2HE LYS 73 -4.080 7.025 -4.761 597 HE3 LYS 73 3HE LYS 73 -3.386 7.745 -6.211 598 HZ1 LYS 73 3HZ LYS 73 -3.287 9.215 -4.261 599 HZ2 LYS 73 1HZ LYS 73 -4.973 9.236 -4.190 600 HZ3 LYS 73 2HZ LYS 73 -4.178 9.891 -5.529 601 H ASN 74 H ASN 74 -9.063 3.959 -4.739 602 HA ASN 74 HA ASN 74 -10.807 5.387 -6.398 603 HB2 ASN 74 2HB ASN 74 -10.200 2.852 -6.329 604 HB3 ASN 74 3HB ASN 74 -11.549 2.716 -5.210 605 HD21 ASN 74 1HD2 ASN 74 -13.211 4.706 -6.534 606 HD22 ASN 74 2HD2 ASN 74 -13.728 3.991 -8.011 607 H LYS 75 H LYS 75 -11.131 4.384 -3.042 608 HA LYS 75 HA LYS 75 -13.827 5.089 -2.610 609 HB2 LYS 75 2HB LYS 75 -12.728 3.768 -0.960 610 HB3 LYS 75 3HB LYS 75 -11.428 4.938 -0.779 611 HG2 LYS 75 2HG LYS 75 -13.072 6.530 0.206 612 HG3 LYS 75 3HG LYS 75 -14.289 5.252 0.134 613 HD2 LYS 75 2HD LYS 75 -13.006 3.869 1.640 614 HD3 LYS 75 3HD LYS 75 -11.660 5.007 1.606 615 HE2 LYS 75 2HE LYS 75 -13.098 6.710 2.662 616 HE3 LYS 75 3HE LYS 75 -14.411 5.534 2.733 617 HZ1 LYS 75 3HZ LYS 75 -13.130 4.180 4.209 618 HZ2 LYS 75 1HZ LYS 75 -13.167 5.752 4.829 619 HZ3 LYS 75 2HZ LYS 75 -11.772 5.182 4.057 620 H VAL 76 H VAL 76 -10.842 6.988 -2.260 621 HA VAL 76 HA VAL 76 -12.157 9.348 -1.309 622 HB VAL 76 HB VAL 76 -9.380 9.072 -2.482 623 HG11 VAL 76 1HG1 VAL 76 -10.547 11.212 -0.694 624 HG12 VAL 76 2HG1 VAL 76 -10.144 11.391 -2.400 625 HG13 VAL 76 3HG1 VAL 76 -8.866 11.111 -1.219 626 HG21 VAL 76 3HG2 VAL 76 -8.600 8.842 -0.176 627 HG22 VAL 76 1HG2 VAL 76 -9.718 7.546 -0.596 628 HG23 VAL 76 2HG2 VAL 76 -10.266 8.894 0.402 629 H ALA 77 H ALA 77 -10.916 8.306 -4.456 630 HA ALA 77 HA ALA 77 -11.205 10.738 -5.832 631 HB1 ALA 77 3HB ALA 77 -11.293 7.932 -6.949 632 HB2 ALA 77 1HB ALA 77 -9.837 8.887 -6.660 633 HB3 ALA 77 2HB ALA 77 -11.008 9.410 -7.870 634 H ALA 78 H ALA 78 -13.551 8.359 -4.919 635 HA ALA 78 HA ALA 78 -15.521 8.609 -6.848 636 HB1 ALA 78 3HB ALA 78 -15.559 6.960 -5.034 637 HB2 ALA 78 1HB ALA 78 -17.089 7.826 -5.166 638 HB3 ALA 78 2HB ALA 78 -15.949 8.239 -3.884 639 H GLN 79 H GLN 79 -14.560 10.995 -4.531 640 HA GLN 79 HA GLN 79 -16.996 12.563 -5.066 641 HB2 GLN 79 2HB GLN 79 -16.368 13.932 -3.116 642 HB3 GLN 79 3HB GLN 79 -16.562 12.236 -2.701 643 HG2 GLN 79 2HG GLN 79 -14.149 11.941 -2.674 644 HG3 GLN 79 3HG GLN 79 -13.920 13.616 -3.166 645 HE21 GLN 79 1HE2 GLN 79 -16.343 12.593 -0.862 646 HE22 GLN 79 2HE2 GLN 79 -15.615 13.340 0.513 647 H ASN 80 H ASN 80 -13.431 12.862 -5.078 648 HA ASN 80 HA ASN 80 -13.692 15.564 -6.199 649 HB2 ASN 80 2HB ASN 80 -11.216 15.699 -5.687 650 HB3 ASN 80 3HB ASN 80 -12.282 15.528 -4.296 651 HD21 ASN 80 1HD2 ASN 80 -10.671 14.672 -3.008 652 HD22 ASN 80 2HD2 ASN 80 -10.041 13.082 -3.243 653 H TYR 81 H TYR 81 -13.730 12.716 -7.599 654 HA TYR 81 HA TYR 81 -11.656 12.715 -9.497 655 HB2 TYR 81 2HB TYR 81 -13.218 10.814 -9.051 656 HB3 TYR 81 3HB TYR 81 -14.484 11.699 -9.891 657 HD1 TYR 81 HD1 TYR 81 -11.038 10.346 -10.405 658 HD2 TYR 81 HD2 TYR 81 -14.773 11.362 -12.200 659 HE1 TYR 81 HE1 TYR 81 -10.292 9.348 -12.523 660 HE2 TYR 81 HE2 TYR 81 -14.026 10.365 -14.319 661 HH TYR 81 HH TYR 81 -11.197 8.439 -14.548 662 H ARG 82 H ARG 82 -14.395 14.777 -9.226 663 HA ARG 82 HA ARG 82 -14.588 15.522 -11.995 664 HB2 ARG 82 2HB ARG 82 -15.591 17.007 -9.552 665 HB3 ARG 82 3HB ARG 82 -16.088 17.285 -11.214 666 HG2 ARG 82 2HG ARG 82 -16.563 14.737 -9.665 667 HG3 ARG 82 3HG ARG 82 -17.753 16.013 -9.922 668 HD2 ARG 82 2HD ARG 82 -16.423 14.390 -12.099 669 HD3 ARG 82 3HD ARG 82 -18.046 14.119 -11.472 670 HE ARG 82 HE ARG 82 -17.512 16.762 -12.562 671 HH11 ARG 82 1HH1 ARG 82 -18.885 13.636 -13.021 672 HH12 ARG 82 2HH1 ARG 82 -19.773 14.109 -14.427 673 HH21 ARG 82 1HH2 ARG 82 -18.719 17.371 -14.346 674 HH22 ARG 82 2HH2 ARG 82 -19.686 16.192 -15.161 675 H LYS 83 H LYS 83 -12.141 15.793 -12.077 676 HA LYS 83 HA LYS 83 -11.168 18.341 -11.013 677 HB2 LYS 83 2HB LYS 83 -9.791 16.306 -10.738 678 HB3 LYS 83 3HB LYS 83 -9.697 16.137 -12.483 679 HG2 LYS 83 2HG LYS 83 -8.809 18.763 -11.838 680 HG3 LYS 83 3HG LYS 83 -8.011 17.641 -10.737 681 HD2 LYS 83 2HD LYS 83 -7.251 16.302 -12.658 682 HD3 LYS 83 3HD LYS 83 -8.038 17.440 -13.755 683 HE2 LYS 83 2HE LYS 83 -5.795 18.090 -11.840 684 HE3 LYS 83 3HE LYS 83 -5.630 17.871 -13.580 685 HZ1 LYS 83 3HZ LYS 83 -7.081 19.773 -13.912 686 HZ2 LYS 83 1HZ LYS 83 -5.732 20.204 -12.990 687 HZ3 LYS 83 2HZ LYS 83 -7.227 19.981 -12.243 688 H ARG 84 H ARG 84 -10.625 20.086 -12.254 689 HA ARG 84 HA ARG 84 -11.641 20.205 -14.956 690 HB2 ARG 84 2HB ARG 84 -10.284 22.239 -13.179 691 HB3 ARG 84 3HB ARG 84 -10.787 22.598 -14.826 692 HG2 ARG 84 2HG ARG 84 -13.087 22.279 -14.281 693 HG3 ARG 84 3HG ARG 84 -12.680 21.618 -12.697 694 HD2 ARG 84 2HD ARG 84 -13.486 23.996 -12.670 695 HD3 ARG 84 3HD ARG 84 -11.913 23.737 -11.915 696 HE ARG 84 HE ARG 84 -11.296 24.449 -14.462 697 HH11 ARG 84 1HH1 ARG 84 -13.304 25.870 -12.060 698 HH12 ARG 84 2HH1 ARG 84 -12.927 27.484 -12.550 699 HH21 ARG 84 1HH2 ARG 84 -10.814 26.521 -15.070 700 HH22 ARG 84 2HH2 ARG 84 -11.527 27.847 -14.224 701 H LYS 85 H LYS 85 -10.239 21.495 -16.589 702 HA LYS 85 HA LYS 85 -8.495 21.588 -18.025 703 HB2 LYS 85 2HB LYS 85 -7.275 22.458 -16.063 704 HB3 LYS 85 3HB LYS 85 -6.818 20.819 -15.625 705 HG2 LYS 85 2HG LYS 85 -5.544 20.618 -17.716 706 HG3 LYS 85 3HG LYS 85 -6.000 22.271 -18.141 707 HD2 LYS 85 2HD LYS 85 -4.831 23.128 -16.188 708 HD3 LYS 85 3HD LYS 85 -4.440 21.486 -15.671 709 HE2 LYS 85 2HE LYS 85 -3.495 22.825 -18.214 710 HE3 LYS 85 3HE LYS 85 -2.529 22.555 -16.761 711 HZ1 LYS 85 3HZ LYS 85 -2.774 20.182 -17.067 712 HZ2 LYS 85 1HZ LYS 85 -2.111 20.877 -18.456 713 HZ3 LYS 85 2HZ LYS 85 -3.738 20.419 -18.433 714 H LEU 86 H LEU 86 -9.615 19.676 -18.937 715 HA LEU 86 HA LEU 86 -7.977 17.220 -18.779 716 HB2 LEU 86 2HB LEU 86 -10.784 17.549 -19.873 717 HB3 LEU 86 3HB LEU 86 -9.895 16.045 -19.762 718 HG LEU 86 HG LEU 86 -9.897 16.421 -17.220 719 HD11 LEU 86 1HD1 LEU 86 -12.050 18.387 -18.002 720 HD12 LEU 86 2HD1 LEU 86 -10.540 18.753 -17.170 721 HD13 LEU 86 3HD1 LEU 86 -11.772 17.779 -16.371 722 HD21 LEU 86 3HD2 LEU 86 -12.520 15.908 -18.629 723 HD22 LEU 86 1HD2 LEU 86 -12.105 15.422 -16.984 724 HD23 LEU 86 2HD2 LEU 86 -11.245 14.719 -18.352 725 H GLU 87 H GLU 87 -8.182 15.966 -21.027 726 HA GLU 87 HA GLU 87 -7.096 17.659 -23.076 727 HB2 GLU 87 2HB GLU 87 -7.078 15.573 -24.448 728 HB3 GLU 87 3HB GLU 87 -6.242 15.420 -22.911 729 HG2 GLU 87 2HG GLU 87 -8.079 14.190 -21.963 730 HG3 GLU 87 3HG GLU 87 -9.063 14.472 -23.398 731 H THR 88 H THR 88 -8.313 18.938 -24.308 732 HA THR 88 HA THR 88 -11.119 18.898 -24.325 733 HB THR 88 HB THR 88 -11.000 20.573 -26.128 734 HG1 THR 88 HG1 THR 88 -8.171 20.314 -26.076 735 HG21 THR 88 3HG2 THR 88 -9.645 22.249 -24.933 736 HG22 THR 88 1HG2 THR 88 -8.925 20.966 -23.962 737 HG23 THR 88 2HG2 THR 88 -10.650 21.314 -23.826 738 H ILE 89 H ILE 89 -12.324 17.295 -25.154 739 HA ILE 89 HA ILE 89 -11.675 15.616 -27.296 740 HB ILE 89 HB ILE 89 -14.106 15.087 -27.410 741 HG12 ILE 89 2HG1 ILE 89 -14.352 17.261 -25.305 742 HG13 ILE 89 3HG1 ILE 89 -15.001 17.335 -26.939 743 HG21 ILE 89 1HG2 ILE 89 -12.678 13.925 -25.822 744 HG22 ILE 89 2HG2 ILE 89 -14.281 14.175 -25.134 745 HG23 ILE 89 3HG2 ILE 89 -12.937 15.197 -24.628 746 HD11 ILE 89 3HD1 ILE 89 -16.754 16.829 -25.372 747 HD12 ILE 89 1HD1 ILE 89 -15.854 15.441 -24.760 748 HD13 ILE 89 2HD1 ILE 89 -16.471 15.433 -26.412 749 H VAL 90 H VAL 90 -11.886 15.758 -29.480 750 HA VAL 90 HA VAL 90 -12.605 18.411 -30.542 751 HB VAL 90 HB VAL 90 -10.276 17.563 -30.880 752 HG11 VAL 90 1HG1 VAL 90 -9.868 15.826 -32.565 753 HG12 VAL 90 2HG1 VAL 90 -11.604 15.540 -32.685 754 HG13 VAL 90 3HG1 VAL 90 -10.759 15.203 -31.176 755 HG21 VAL 90 3HG2 VAL 90 -11.172 19.277 -32.346 756 HG22 VAL 90 1HG2 VAL 90 -11.873 18.047 -33.397 757 HG23 VAL 90 2HG2 VAL 90 -10.121 18.190 -33.253 758 H GLN 91 H GLN 91 -13.787 18.581 -32.550 759 HA GLN 91 HA GLN 91 -15.619 18.209 -33.841 760 HB2 GLN 91 2HB GLN 91 -14.630 15.381 -33.578 761 HB3 GLN 91 3HB GLN 91 -16.173 15.698 -34.348 762 HG2 GLN 91 2HG GLN 91 -14.403 15.466 -35.990 763 HG3 GLN 91 3HG GLN 91 -15.086 17.088 -36.022 764 HE21 GLN 91 1HE2 GLN 91 -12.321 15.162 -35.139 765 HE22 GLN 91 2HE2 GLN 91 -11.211 16.478 -35.013 Start of MODEL 15 1 H1 MET 1 1H MET 1 25.206 -38.689 32.138 2 H2 MET 1 2H MET 1 25.733 -38.964 30.554 3 H3 MET 1 3H MET 1 26.673 -39.487 31.857 4 HA MET 1 HA MET 1 25.489 -41.311 30.784 5 HB2 MET 1 2HB MET 1 24.598 -42.316 32.827 6 HB3 MET 1 3HB MET 1 26.093 -41.458 33.164 7 HG2 MET 1 2HG MET 1 24.852 -39.603 34.109 8 HG3 MET 1 3HG MET 1 23.326 -40.394 33.709 9 HE1 MET 1 3HE MET 1 22.501 -40.111 36.220 10 HE2 MET 1 1HE MET 1 24.016 -39.322 36.646 11 HE3 MET 1 2HE MET 1 23.420 -40.664 37.622 12 H GLY 2 H GLY 2 23.384 -42.464 30.642 13 HA2 GLY 2 2HA GLY 2 21.141 -42.569 30.106 14 HA3 GLY 2 3HA GLY 2 20.927 -41.017 30.899 15 H HIS 3 H HIS 3 21.941 -39.135 29.569 16 HA HIS 3 HA HIS 3 20.555 -39.060 27.058 17 HB2 HIS 3 2HB HIS 3 22.467 -37.018 28.226 18 HB3 HIS 3 3HB HIS 3 21.306 -36.740 26.931 19 HD1 HIS 3 HD1 HIS 3 19.175 -35.710 27.687 20 HD2 HIS 3 HD2 HIS 3 21.053 -37.788 30.749 21 HE1 HIS 3 HE1 HIS 3 17.779 -35.302 29.728 22 HE2 HIS 3 HE2 HIS 3 18.818 -36.743 31.506 23 H HIS 4 H HIS 4 21.597 -40.659 25.789 24 HA HIS 4 HA HIS 4 24.444 -40.563 25.330 25 HB2 HIS 4 2HB HIS 4 23.231 -42.705 25.389 26 HB3 HIS 4 3HB HIS 4 22.302 -42.223 23.973 27 HD1 HIS 4 HD1 HIS 4 23.210 -43.067 21.826 28 HD2 HIS 4 HD2 HIS 4 26.161 -42.785 24.733 29 HE1 HIS 4 HE1 HIS 4 25.281 -43.993 20.767 30 HE2 HIS 4 HE2 HIS 4 26.991 -43.999 22.605 31 H HIS 5 H HIS 5 21.566 -39.494 23.598 32 HA HIS 5 HA HIS 5 23.284 -37.911 21.845 33 HB2 HIS 5 2HB HIS 5 22.720 -40.183 20.738 34 HB3 HIS 5 3HB HIS 5 21.084 -39.549 20.580 35 HD1 HIS 5 HD1 HIS 5 24.394 -39.492 19.005 36 HD2 HIS 5 HD2 HIS 5 20.931 -37.193 18.872 37 HE1 HIS 5 HE1 HIS 5 24.603 -38.076 16.944 38 HE2 HIS 5 HE2 HIS 5 22.448 -36.794 16.815 39 H HIS 6 H HIS 6 22.385 -35.942 21.295 40 HA HIS 6 HA HIS 6 19.528 -35.488 21.806 41 HB2 HIS 6 2HB HIS 6 20.791 -35.039 23.921 42 HB3 HIS 6 3HB HIS 6 21.692 -33.788 23.075 43 HD1 HIS 6 HD1 HIS 6 18.208 -34.590 24.280 44 HD2 HIS 6 HD2 HIS 6 20.416 -31.338 22.927 45 HE1 HIS 6 HE1 HIS 6 16.765 -32.580 24.686 46 HE2 HIS 6 HE2 HIS 6 18.201 -30.620 24.050 47 H HIS 7 H HIS 7 18.611 -33.892 20.542 48 HA HIS 7 HA HIS 7 20.070 -33.007 18.251 49 HB2 HIS 7 2HB HIS 7 17.313 -32.244 19.249 50 HB3 HIS 7 3HB HIS 7 17.971 -31.776 17.685 51 HD1 HIS 7 HD1 HIS 7 16.043 -34.374 19.298 52 HD2 HIS 7 HD2 HIS 7 18.560 -34.131 16.002 53 HE1 HIS 7 HE1 HIS 7 15.533 -36.401 17.912 54 HE2 HIS 7 HE2 HIS 7 16.923 -36.125 15.836 55 H HIS 8 H HIS 8 20.510 -30.847 17.595 56 HA HIS 8 HA HIS 8 21.555 -29.223 19.739 57 HB2 HIS 8 2HB HIS 8 21.530 -28.679 16.756 58 HB3 HIS 8 3HB HIS 8 22.531 -27.866 17.957 59 HD1 HIS 8 HD1 HIS 8 24.432 -29.367 19.084 60 HD2 HIS 8 HD2 HIS 8 22.542 -31.033 15.781 61 HE1 HIS 8 HE1 HIS 8 25.897 -31.268 18.360 62 HE2 HIS 8 HE2 HIS 8 24.644 -32.364 16.480 63 H SER 9 H SER 9 21.291 -26.669 19.281 64 HA SER 9 HA SER 9 18.479 -26.020 18.762 65 HB2 SER 9 2HB SER 9 18.221 -24.829 20.893 66 HB3 SER 9 3HB SER 9 18.568 -26.534 21.167 67 HG SER 9 HG SER 9 20.061 -24.293 21.783 68 H HIS 10 H HIS 10 18.239 -24.135 17.715 69 HA HIS 10 HA HIS 10 20.181 -21.974 18.098 70 HB2 HIS 10 2HB HIS 10 19.497 -23.218 15.427 71 HB3 HIS 10 3HB HIS 10 20.145 -21.587 15.562 72 HD1 HIS 10 HD1 HIS 10 21.127 -25.187 15.895 73 HD2 HIS 10 HD2 HIS 10 22.868 -21.430 16.223 74 HE1 HIS 10 HE1 HIS 10 23.597 -25.601 16.006 75 HE2 HIS 10 HE2 HIS 10 24.624 -23.330 16.321 76 H MET 11 H MET 11 19.397 -19.884 17.335 77 HA MET 11 HA MET 11 16.793 -19.388 18.247 78 HB2 MET 11 2HB MET 11 17.140 -17.084 17.554 79 HB3 MET 11 3HB MET 11 18.591 -17.716 18.319 80 HG2 MET 11 2HG MET 11 19.659 -17.991 16.174 81 HG3 MET 11 3HG MET 11 18.181 -17.509 15.341 82 HE1 MET 11 3HE MET 11 19.408 -15.671 13.927 83 HE2 MET 11 1HE MET 11 20.948 -16.132 14.661 84 HE3 MET 11 2HE MET 11 20.464 -14.439 14.615 85 H ALA 12 H ALA 12 14.918 -18.650 17.218 86 HA ALA 12 HA ALA 12 14.730 -18.665 14.306 87 HB1 ALA 12 3HB ALA 12 12.867 -20.231 14.237 88 HB2 ALA 12 1HB ALA 12 12.970 -20.463 15.983 89 HB3 ALA 12 2HB ALA 12 14.286 -21.005 14.942 90 H LYS 13 H LYS 13 13.948 -16.652 14.031 91 HA LYS 13 HA LYS 13 12.232 -15.380 15.946 92 HB2 LYS 13 2HB LYS 13 12.235 -13.488 14.290 93 HB3 LYS 13 3HB LYS 13 13.824 -13.994 14.845 94 HG2 LYS 13 2HG LYS 13 14.142 -15.257 12.757 95 HG3 LYS 13 3HG LYS 13 12.561 -14.712 12.195 96 HD2 LYS 13 2HD LYS 13 13.326 -12.387 12.278 97 HD3 LYS 13 3HD LYS 13 14.896 -12.920 12.882 98 HE2 LYS 13 2HE LYS 13 15.283 -14.159 10.802 99 HE3 LYS 13 3HE LYS 13 13.712 -13.638 10.192 100 HZ1 LYS 13 3HZ LYS 13 15.977 -11.847 10.880 101 HZ2 LYS 13 1HZ LYS 13 14.481 -11.354 10.268 102 HZ3 LYS 13 2HZ LYS 13 15.517 -12.289 9.315 103 HA PRO 14 HA PRO 14 8.509 -16.790 13.792 104 HB2 PRO 14 2HB PRO 14 6.901 -16.869 15.917 105 HB3 PRO 14 3HB PRO 14 8.212 -18.041 15.732 106 HG2 PRO 14 2HG PRO 14 8.040 -15.654 17.509 107 HG3 PRO 14 3HG PRO 14 8.835 -17.210 17.795 108 HD2 PRO 14 2HD PRO 14 10.063 -14.804 16.915 109 HD3 PRO 14 3HD PRO 14 10.808 -16.413 16.988 110 H THR 15 H THR 15 6.872 -15.671 12.819 111 HA THR 15 HA THR 15 6.242 -12.955 13.816 112 HB THR 15 HB THR 15 5.743 -14.091 11.044 113 HG1 THR 15 HG1 THR 15 8.013 -13.606 11.723 114 HG21 THR 15 3HG2 THR 15 5.235 -11.768 10.420 115 HG22 THR 15 1HG2 THR 15 5.448 -11.269 12.097 116 HG23 THR 15 2HG2 THR 15 4.125 -12.351 11.662 117 H ALA 16 H ALA 16 4.596 -13.261 15.252 118 HA ALA 16 HA ALA 16 2.434 -15.144 14.620 119 HB1 ALA 16 3HB ALA 16 1.863 -14.996 16.981 120 HB2 ALA 16 1HB ALA 16 3.066 -13.725 17.212 121 HB3 ALA 16 2HB ALA 16 3.578 -15.357 16.782 122 H ARG 17 H ARG 17 2.532 -12.522 13.277 123 HA ARG 17 HA ARG 17 -0.152 -11.615 14.063 124 HB2 ARG 17 2HB ARG 17 2.222 -9.815 13.527 125 HB3 ARG 17 3HB ARG 17 0.558 -9.238 13.511 126 HG2 ARG 17 2HG ARG 17 1.927 -10.530 15.875 127 HG3 ARG 17 3HG ARG 17 1.697 -8.796 15.649 128 HD2 ARG 17 2HD ARG 17 -0.608 -10.742 15.689 129 HD3 ARG 17 3HD ARG 17 0.027 -10.002 17.156 130 HE ARG 17 HE ARG 17 -0.457 -7.830 15.767 131 HH11 ARG 17 1HH1 ARG 17 -2.422 -10.663 15.892 132 HH12 ARG 17 2HH1 ARG 17 -3.896 -9.766 15.798 133 HH21 ARG 17 1HH2 ARG 17 -2.366 -6.705 15.648 134 HH22 ARG 17 2HH2 ARG 17 -3.868 -7.563 15.680 135 H GLY 18 H GLY 18 -0.804 -9.842 12.218 136 HA2 GLY 18 2HA GLY 18 -1.024 -9.546 9.844 137 HA3 GLY 18 3HA GLY 18 -0.355 -11.156 9.608 138 H GLU 19 H GLU 19 -3.055 -9.708 11.426 139 HA GLU 19 HA GLU 19 -4.790 -11.925 10.514 140 HB2 GLU 19 2HB GLU 19 -4.791 -10.521 13.203 141 HB3 GLU 19 3HB GLU 19 -5.900 -11.798 12.719 142 HG2 GLU 19 2HG GLU 19 -4.115 -13.402 12.619 143 HG3 GLU 19 3HG GLU 19 -2.909 -12.143 12.877 144 H ALA 20 H ALA 20 -6.711 -11.367 9.591 145 HA ALA 20 HA ALA 20 -8.150 -8.986 10.138 146 HB1 ALA 20 3HB ALA 20 -6.307 -7.900 8.988 147 HB2 ALA 20 1HB ALA 20 -7.782 -7.780 8.026 148 HB3 ALA 20 2HB ALA 20 -6.534 -8.948 7.588 149 H GLY 21 H GLY 21 -9.608 -8.507 7.913 150 HA2 GLY 21 2HA GLY 21 -10.757 -11.163 7.254 151 HA3 GLY 21 3HA GLY 21 -11.751 -9.802 7.726 152 H SER 22 H SER 22 -10.770 -7.743 6.159 153 HA SER 22 HA SER 22 -12.217 -8.183 3.798 154 HB2 SER 22 2HB SER 22 -10.159 -6.021 4.313 155 HB3 SER 22 3HB SER 22 -11.401 -5.990 3.063 156 HG SER 22 HG SER 22 -11.662 -4.998 5.393 157 H ARG 23 H ARG 23 -11.586 -8.190 1.596 158 HA ARG 23 HA ARG 23 -9.780 -10.062 0.771 159 HB2 ARG 23 2HB ARG 23 -11.509 -9.079 -0.671 160 HB3 ARG 23 3HB ARG 23 -10.601 -7.574 -0.752 161 HG2 ARG 23 2HG ARG 23 -8.746 -8.820 -1.862 162 HG3 ARG 23 3HG ARG 23 -9.774 -10.254 -1.876 163 HD2 ARG 23 2HD ARG 23 -10.276 -7.626 -3.275 164 HD3 ARG 23 3HD ARG 23 -9.925 -9.185 -4.023 165 HE ARG 23 HE ARG 23 -12.192 -9.605 -2.545 166 HH11 ARG 23 1HH1 ARG 23 -11.293 -7.543 -5.157 167 HH12 ARG 23 2HH1 ARG 23 -12.922 -7.383 -5.717 168 HH21 ARG 23 1HH2 ARG 23 -14.241 -9.398 -3.266 169 HH22 ARG 23 2HH2 ARG 23 -14.572 -8.445 -4.673 170 H ASP 24 H ASP 24 -9.124 -6.538 0.507 171 HA ASP 24 HA ASP 24 -6.462 -6.856 -0.322 172 HB2 ASP 24 2HB ASP 24 -7.850 -4.489 0.940 173 HB3 ASP 24 3HB ASP 24 -6.251 -4.425 0.196 174 H GLU 25 H GLU 25 -7.821 -6.518 2.927 175 HA GLU 25 HA GLU 25 -5.452 -6.363 4.400 176 HB2 GLU 25 2HB GLU 25 -7.953 -7.926 5.085 177 HB3 GLU 25 3HB GLU 25 -6.686 -7.487 6.218 178 HG2 GLU 25 2HG GLU 25 -8.452 -5.554 4.735 179 HG3 GLU 25 3HG GLU 25 -8.667 -6.064 6.407 180 H ARG 26 H ARG 26 -7.203 -9.236 3.232 181 HA ARG 26 HA ARG 26 -5.371 -11.154 4.219 182 HB2 ARG 26 2HB ARG 26 -7.353 -11.394 1.943 183 HB3 ARG 26 3HB ARG 26 -6.521 -12.742 2.713 184 HG2 ARG 26 2HG ARG 26 -7.600 -12.153 4.854 185 HG3 ARG 26 3HG ARG 26 -8.474 -10.859 4.032 186 HD2 ARG 26 2HD ARG 26 -8.687 -13.821 3.485 187 HD3 ARG 26 3HD ARG 26 -9.898 -12.799 4.256 188 HE ARG 26 HE ARG 26 -9.070 -12.289 1.482 189 HH11 ARG 26 1HH1 ARG 26 -11.528 -13.064 3.775 190 HH12 ARG 26 2HH1 ARG 26 -12.796 -12.925 2.606 191 HH21 ARG 26 1HH2 ARG 26 -10.717 -12.145 0.000 192 HH22 ARG 26 2HH2 ARG 26 -12.349 -12.424 0.510 193 H ARG 27 H ARG 27 -5.540 -9.391 1.175 194 HA ARG 27 HA ARG 27 -3.538 -10.765 -0.249 195 HB2 ARG 27 2HB ARG 27 -4.169 -7.796 -0.312 196 HB3 ARG 27 3HB ARG 27 -3.256 -8.676 -1.531 197 HG2 ARG 27 2HG ARG 27 -5.217 -9.968 -2.121 198 HG3 ARG 27 3HG ARG 27 -6.143 -9.195 -0.833 199 HD2 ARG 27 2HD ARG 27 -6.720 -8.141 -2.912 200 HD3 ARG 27 3HD ARG 27 -5.767 -7.004 -1.961 201 HE ARG 27 HE ARG 27 -4.238 -8.562 -3.844 202 HH11 ARG 27 1HH1 ARG 27 -5.985 -5.610 -3.337 203 HH12 ARG 27 2HH1 ARG 27 -5.245 -4.843 -4.704 204 HH21 ARG 27 1HH2 ARG 27 -3.334 -7.539 -5.576 205 HH22 ARG 27 2HH2 ARG 27 -3.791 -5.910 -5.943 206 H ALA 28 H ALA 28 -3.333 -8.044 2.011 207 HA ALA 28 HA ALA 28 -0.558 -7.632 1.913 208 HB1 ALA 28 3HB ALA 28 -0.840 -6.417 4.007 209 HB2 ALA 28 1HB ALA 28 -2.443 -7.124 4.216 210 HB3 ALA 28 2HB ALA 28 -2.133 -6.020 2.874 211 H LEU 29 H LEU 29 -2.441 -9.443 4.385 212 HA LEU 29 HA LEU 29 -0.143 -10.285 5.804 213 HB2 LEU 29 2HB LEU 29 -1.663 -11.828 6.995 214 HB3 LEU 29 3HB LEU 29 -2.234 -10.176 6.939 215 HG LEU 29 HG LEU 29 -3.644 -11.037 4.889 216 HD11 LEU 29 1HD1 LEU 29 -2.700 -13.257 4.730 217 HD12 LEU 29 2HD1 LEU 29 -4.399 -13.363 5.188 218 HD13 LEU 29 3HD1 LEU 29 -3.142 -13.598 6.403 219 HD21 LEU 29 3HD2 LEU 29 -5.491 -11.563 6.420 220 HD22 LEU 29 1HD2 LEU 29 -4.595 -10.134 6.933 221 HD23 LEU 29 2HD2 LEU 29 -4.345 -11.674 7.757 222 H ALA 30 H ALA 30 -1.892 -11.791 3.128 223 HA ALA 30 HA ALA 30 -0.627 -14.317 3.224 224 HB1 ALA 30 3HB ALA 30 -1.673 -12.846 0.798 225 HB2 ALA 30 1HB ALA 30 -2.612 -13.902 1.851 226 HB3 ALA 30 2HB ALA 30 -1.296 -14.566 0.884 227 H MET 31 H MET 31 0.220 -11.350 1.450 228 HA MET 31 HA MET 31 2.771 -12.417 0.607 229 HB2 MET 31 2HB MET 31 1.583 -9.642 0.431 230 HB3 MET 31 3HB MET 31 3.157 -10.079 -0.220 231 HG2 MET 31 2HG MET 31 0.536 -11.319 -1.052 232 HG3 MET 31 3HG MET 31 1.398 -10.055 -1.930 233 HE1 MET 31 3HE MET 31 3.720 -10.379 -3.116 234 HE2 MET 31 1HE MET 31 4.646 -11.878 -3.089 235 HE3 MET 31 2HE MET 31 4.454 -10.934 -1.611 236 H LYS 32 H LYS 32 1.682 -11.396 3.526 237 HA LYS 32 HA LYS 32 2.713 -11.072 5.512 238 HB2 LYS 32 2HB LYS 32 5.120 -11.876 3.878 239 HB3 LYS 32 3HB LYS 32 5.197 -11.592 5.613 240 HG2 LYS 32 2HG LYS 32 3.762 -13.416 6.081 241 HG3 LYS 32 3HG LYS 32 3.284 -13.572 4.390 242 HD2 LYS 32 2HD LYS 32 6.115 -13.998 5.354 243 HD3 LYS 32 3HD LYS 32 4.929 -15.299 5.236 244 HE2 LYS 32 2HE LYS 32 5.796 -13.540 2.935 245 HE3 LYS 32 3HE LYS 32 6.411 -15.161 3.256 246 HZ1 LYS 32 3HZ LYS 32 3.563 -14.503 2.712 247 HZ2 LYS 32 1HZ LYS 32 4.207 -16.049 2.949 248 HZ3 LYS 32 2HZ LYS 32 4.645 -15.151 1.585 249 H ILE 33 H ILE 33 2.192 -8.780 3.949 250 HA ILE 33 HA ILE 33 4.324 -6.907 4.019 251 HB ILE 33 HB ILE 33 1.335 -6.424 4.063 252 HG12 ILE 33 2HG1 ILE 33 2.061 -7.664 2.077 253 HG13 ILE 33 3HG1 ILE 33 1.582 -6.028 1.639 254 HG21 ILE 33 1HG2 ILE 33 3.581 -4.496 3.463 255 HG22 ILE 33 2HG2 ILE 33 2.506 -4.452 4.862 256 HG23 ILE 33 3HG2 ILE 33 1.862 -4.162 3.246 257 HD11 ILE 33 3HD1 ILE 33 3.938 -5.375 1.538 258 HD12 ILE 33 1HD1 ILE 33 3.564 -6.700 0.435 259 HD13 ILE 33 2HD1 ILE 33 4.404 -7.026 1.953 260 HA PRO 34 HA PRO 34 4.204 -6.480 8.484 261 HB2 PRO 34 2HB PRO 34 6.557 -5.269 8.811 262 HB3 PRO 34 3HB PRO 34 6.462 -6.933 8.215 263 HG2 PRO 34 2HG PRO 34 6.915 -4.395 6.686 264 HG3 PRO 34 3HG PRO 34 7.705 -5.972 6.496 265 HD2 PRO 34 2HD PRO 34 5.593 -5.044 4.941 266 HD3 PRO 34 3HD PRO 34 6.056 -6.747 5.116 267 H PHE 35 H PHE 35 2.966 -4.235 6.684 268 HA PHE 35 HA PHE 35 2.766 -2.337 8.876 269 HB2 PHE 35 2HB PHE 35 3.100 -0.372 7.284 270 HB3 PHE 35 3HB PHE 35 4.543 -1.253 7.761 271 HD1 PHE 35 HD1 PHE 35 5.778 -2.593 6.158 272 HD2 PHE 35 HD2 PHE 35 2.286 -0.446 4.992 273 HE1 PHE 35 HE1 PHE 35 6.396 -2.881 3.797 274 HE2 PHE 35 HE2 PHE 35 2.906 -0.731 2.627 275 HZ PHE 35 HZ PHE 35 4.958 -1.950 2.028 276 HA PRO 36 HA PRO 36 -1.468 -2.328 7.898 277 HB2 PRO 36 2HB PRO 36 -2.298 0.159 8.631 278 HB3 PRO 36 3HB PRO 36 -1.791 -1.072 9.794 279 HG2 PRO 36 2HG PRO 36 -0.214 1.221 8.663 280 HG3 PRO 36 3HG PRO 36 -0.340 0.679 10.349 281 HD2 PRO 36 2HD PRO 36 1.772 0.032 8.798 282 HD3 PRO 36 3HD PRO 36 1.135 -1.085 10.021 283 H THR 37 H THR 37 -2.997 -1.920 6.355 284 HA THR 37 HA THR 37 -2.113 -0.849 3.861 285 HB THR 37 HB THR 37 -4.360 -1.397 3.030 286 HG1 THR 37 HG1 THR 37 -5.849 -2.337 4.594 287 HG21 THR 37 3HG2 THR 37 -3.209 -3.523 4.854 288 HG22 THR 37 1HG2 THR 37 -2.738 -3.221 3.181 289 HG23 THR 37 2HG2 THR 37 -4.357 -3.816 3.549 290 H ASP 38 H ASP 38 -4.518 0.279 6.241 291 HA ASP 38 HA ASP 38 -5.589 2.422 4.885 292 HB2 ASP 38 2HB ASP 38 -6.427 1.707 7.060 293 HB3 ASP 38 3HB ASP 38 -4.944 2.250 7.838 294 H LYS 39 H LYS 39 -2.609 2.435 6.855 295 HA LYS 39 HA LYS 39 -1.884 5.105 6.479 296 HB2 LYS 39 2HB LYS 39 -0.682 3.742 8.067 297 HB3 LYS 39 3HB LYS 39 -0.143 2.647 6.798 298 HG2 LYS 39 2HG LYS 39 1.233 4.401 5.826 299 HG3 LYS 39 3HG LYS 39 0.651 5.553 7.025 300 HD2 LYS 39 2HD LYS 39 2.194 3.035 7.671 301 HD3 LYS 39 3HD LYS 39 2.915 4.636 7.514 302 HE2 LYS 39 2HE LYS 39 1.405 5.422 9.336 303 HE3 LYS 39 3HE LYS 39 0.861 3.756 9.541 304 HZ1 LYS 39 3HZ LYS 39 2.574 4.293 11.123 305 HZ2 LYS 39 1HZ LYS 39 3.638 4.743 9.887 306 HZ3 LYS 39 2HZ LYS 39 3.152 3.129 10.040 307 H ILE 40 H ILE 40 -1.019 2.265 4.506 308 HA ILE 40 HA ILE 40 0.558 3.373 2.551 309 HB ILE 40 HB ILE 40 -1.616 1.299 2.171 310 HG12 ILE 40 2HG1 ILE 40 1.343 0.944 2.735 311 HG13 ILE 40 3HG1 ILE 40 0.054 0.733 3.917 312 HG21 ILE 40 1HG2 ILE 40 -0.320 0.548 0.222 313 HG22 ILE 40 2HG2 ILE 40 0.769 1.919 0.429 314 HG23 ILE 40 3HG2 ILE 40 -0.924 2.193 0.026 315 HD11 ILE 40 3HD1 ILE 40 0.798 -1.404 3.093 316 HD12 ILE 40 1HD1 ILE 40 0.486 -0.912 1.429 317 HD13 ILE 40 2HD1 ILE 40 -0.855 -1.104 2.561 318 H VAL 41 H VAL 41 -2.999 3.260 2.566 319 HA VAL 41 HA VAL 41 -3.368 4.639 0.105 320 HB VAL 41 HB VAL 41 -5.307 4.390 2.420 321 HG11 VAL 41 1HG1 VAL 41 -5.808 4.923 -0.517 322 HG12 VAL 41 2HG1 VAL 41 -5.983 6.089 0.795 323 HG13 VAL 41 3HG1 VAL 41 -7.049 4.687 0.716 324 HG21 VAL 41 3HG2 VAL 41 -4.887 2.555 0.052 325 HG22 VAL 41 1HG2 VAL 41 -6.192 2.421 1.232 326 HG23 VAL 41 2HG2 VAL 41 -4.518 2.191 1.738 327 H ASN 42 H ASN 42 -3.127 5.717 3.448 328 HA ASN 42 HA ASN 42 -3.993 8.420 2.750 329 HB2 ASN 42 2HB ASN 42 -3.463 7.076 5.403 330 HB3 ASN 42 3HB ASN 42 -3.967 8.756 5.234 331 HD21 ASN 42 1HD2 ASN 42 -5.226 6.137 6.269 332 HD22 ASN 42 2HD2 ASN 42 -6.798 6.151 5.557 333 H LEU 43 H LEU 43 -1.065 6.900 2.692 334 HA LEU 43 HA LEU 43 0.546 9.036 3.773 335 HB2 LEU 43 2HB LEU 43 1.178 6.584 2.148 336 HB3 LEU 43 3HB LEU 43 2.399 7.804 2.450 337 HG LEU 43 HG LEU 43 0.958 6.187 4.560 338 HD11 LEU 43 1HD1 LEU 43 3.126 5.137 4.925 339 HD12 LEU 43 2HD1 LEU 43 3.821 6.079 3.606 340 HD13 LEU 43 3HD1 LEU 43 2.572 4.878 3.270 341 HD21 LEU 43 3HD2 LEU 43 3.155 8.246 4.837 342 HD22 LEU 43 1HD2 LEU 43 2.538 7.222 6.134 343 HD23 LEU 43 2HD2 LEU 43 1.487 8.423 5.385 344 HA PRO 44 HA PRO 44 0.755 11.589 0.044 345 HB2 PRO 44 2HB PRO 44 2.990 12.989 0.697 346 HB3 PRO 44 3HB PRO 44 1.425 13.317 1.451 347 HG2 PRO 44 2HG PRO 44 3.697 11.634 2.482 348 HG3 PRO 44 3HG PRO 44 2.772 12.889 3.334 349 HD2 PRO 44 2HD PRO 44 2.217 10.286 3.666 350 HD3 PRO 44 3HD PRO 44 0.922 11.500 3.621 351 H VAL 45 H VAL 45 2.234 11.813 -1.801 352 HA VAL 45 HA VAL 45 3.430 9.408 -2.556 353 HB VAL 45 HB VAL 45 2.670 11.117 -4.162 354 HG11 VAL 45 1HG1 VAL 45 5.151 12.639 -3.353 355 HG12 VAL 45 2HG1 VAL 45 3.482 13.124 -3.051 356 HG13 VAL 45 3HG1 VAL 45 4.092 13.042 -4.705 357 HG21 VAL 45 3HG2 VAL 45 4.490 10.860 -5.790 358 HG22 VAL 45 1HG2 VAL 45 4.162 9.355 -4.930 359 HG23 VAL 45 2HG2 VAL 45 5.567 10.331 -4.497 360 H ASP 46 H ASP 46 4.826 12.186 -0.934 361 HA ASP 46 HA ASP 46 7.556 11.674 -1.414 362 HB2 ASP 46 2HB ASP 46 6.429 13.014 1.048 363 HB3 ASP 46 3HB ASP 46 7.985 13.308 0.274 364 H ASP 47 H ASP 47 5.781 11.153 1.655 365 HA ASP 47 HA ASP 47 7.825 9.586 2.833 366 HB2 ASP 47 2HB ASP 47 4.899 9.888 3.539 367 HB3 ASP 47 3HB ASP 47 6.071 9.035 4.542 368 H PHE 48 H PHE 48 5.037 8.732 0.874 369 HA PHE 48 HA PHE 48 4.892 5.993 1.482 370 HB2 PHE 48 2HB PHE 48 3.098 7.093 0.279 371 HB3 PHE 48 3HB PHE 48 4.174 7.467 -1.066 372 HD1 PHE 48 HD2 PHE 48 2.972 4.507 0.872 373 HD2 PHE 48 HD1 PHE 48 4.092 6.093 -2.922 374 HE1 PHE 48 HE2 PHE 48 2.380 2.374 -0.193 375 HE2 PHE 48 HE1 PHE 48 3.498 3.958 -3.988 376 HZ PHE 48 HZ PHE 48 2.640 2.095 -2.622 377 H ASN 49 H ASN 49 6.553 7.581 -1.270 378 HA ASN 49 HA ASN 49 7.703 5.283 -2.367 379 HB2 ASN 49 2HB ASN 49 8.746 8.126 -2.385 380 HB3 ASN 49 3HB ASN 49 9.349 6.834 -3.419 381 HD21 ASN 49 1HD2 ASN 49 8.097 9.350 -4.141 382 HD22 ASN 49 2HD2 ASN 49 6.710 8.944 -5.082 383 H GLU 50 H GLU 50 8.791 7.294 0.304 384 HA GLU 50 HA GLU 50 11.374 6.079 0.546 385 HB2 GLU 50 2HB GLU 50 9.786 7.652 2.589 386 HB3 GLU 50 3HB GLU 50 11.502 7.274 2.691 387 HG2 GLU 50 2HG GLU 50 10.193 8.983 0.578 388 HG3 GLU 50 3HG GLU 50 11.115 9.573 1.958 389 H LEU 51 H LEU 51 8.231 5.560 2.101 390 HA LEU 51 HA LEU 51 8.904 3.751 4.090 391 HB2 LEU 51 2HB LEU 51 6.645 4.693 3.737 392 HB3 LEU 51 3HB LEU 51 6.456 3.690 2.310 393 HG LEU 51 HG LEU 51 6.711 1.670 3.822 394 HD11 LEU 51 1HD1 LEU 51 6.267 2.014 6.215 395 HD12 LEU 51 2HD1 LEU 51 6.383 3.757 5.973 396 HD13 LEU 51 3HD1 LEU 51 7.794 2.735 5.706 397 HD21 LEU 51 3HD2 LEU 51 4.535 2.384 2.990 398 HD22 LEU 51 1HD2 LEU 51 4.375 3.513 4.336 399 HD23 LEU 51 2HD2 LEU 51 4.403 1.775 4.639 400 H LEU 52 H LEU 52 8.157 3.072 0.680 401 HA LEU 52 HA LEU 52 8.333 0.299 0.704 402 HB2 LEU 52 2HB LEU 52 9.171 2.176 -1.513 403 HB3 LEU 52 3HB LEU 52 8.829 0.467 -1.704 404 HG LEU 52 HG LEU 52 6.822 2.576 -0.888 405 HD11 LEU 52 1HD1 LEU 52 7.494 2.765 -3.231 406 HD12 LEU 52 2HD1 LEU 52 5.830 2.202 -3.083 407 HD13 LEU 52 3HD1 LEU 52 7.116 1.061 -3.482 408 HD21 LEU 52 3HD2 LEU 52 6.332 0.411 0.126 409 HD22 LEU 52 1HD2 LEU 52 6.449 -0.367 -1.453 410 HD23 LEU 52 2HD2 LEU 52 5.159 0.794 -1.133 411 H ALA 53 H ALA 53 10.950 2.661 0.169 412 HA ALA 53 HA ALA 53 12.965 0.680 -0.269 413 HB1 ALA 53 3HB ALA 53 14.526 2.543 -0.257 414 HB2 ALA 53 1HB ALA 53 13.282 3.606 0.402 415 HB3 ALA 53 2HB ALA 53 13.102 2.935 -1.220 416 H ARG 54 H ARG 54 11.537 1.917 2.579 417 HA ARG 54 HA ARG 54 13.852 1.505 4.280 418 HB2 ARG 54 2HB ARG 54 10.980 2.218 4.871 419 HB3 ARG 54 3HB ARG 54 12.188 1.989 6.129 420 HG2 ARG 54 2HG ARG 54 13.492 3.832 5.298 421 HG3 ARG 54 3HG ARG 54 12.434 4.001 3.896 422 HD2 ARG 54 2HD ARG 54 11.980 5.693 5.637 423 HD3 ARG 54 3HD ARG 54 10.588 4.659 5.318 424 HE ARG 54 HE ARG 54 11.693 3.421 7.411 425 HH11 ARG 54 1HH1 ARG 54 11.085 6.773 6.882 426 HH12 ARG 54 2HH1 ARG 54 10.775 7.090 8.553 427 HH21 ARG 54 1HH2 ARG 54 11.309 3.832 9.538 428 HH22 ARG 54 2HH2 ARG 54 10.903 5.433 10.047 429 H TYR 55 H TYR 55 11.503 -0.533 2.964 430 HA TYR 55 HA TYR 55 11.928 -2.528 5.109 431 HB2 TYR 55 2HB TYR 55 9.510 -2.031 3.367 432 HB3 TYR 55 3HB TYR 55 9.732 -3.533 4.259 433 HD1 TYR 55 HD2 TYR 55 9.440 0.159 4.701 434 HD2 TYR 55 HD1 TYR 55 9.132 -3.673 6.539 435 HE1 TYR 55 HE2 TYR 55 8.469 1.201 6.702 436 HE2 TYR 55 HE1 TYR 55 8.161 -2.633 8.544 437 HH TYR 55 HH TYR 55 8.131 -0.436 9.650 438 HA PRO 56 HA PRO 56 13.760 -5.190 2.050 439 HB2 PRO 56 2HB PRO 56 13.426 -7.609 3.187 440 HB3 PRO 56 3HB PRO 56 14.479 -6.385 3.908 441 HG2 PRO 56 2HG PRO 56 11.654 -7.109 4.634 442 HG3 PRO 56 3HG PRO 56 13.046 -6.839 5.701 443 HD2 PRO 56 2HD PRO 56 11.152 -4.936 5.219 444 HD3 PRO 56 3HD PRO 56 12.843 -4.543 5.595 445 H LEU 57 H LEU 57 11.229 -4.387 1.159 446 HA LEU 57 HA LEU 57 9.501 -6.627 0.653 447 HB2 LEU 57 2HB LEU 57 9.497 -3.865 -0.580 448 HB3 LEU 57 3HB LEU 57 8.201 -5.040 -0.695 449 HG LEU 57 HG LEU 57 9.139 -3.721 1.860 450 HD11 LEU 57 1HD1 LEU 57 6.668 -3.235 0.192 451 HD12 LEU 57 2HD1 LEU 57 8.031 -2.135 0.394 452 HD13 LEU 57 3HD1 LEU 57 7.001 -2.521 1.771 453 HD21 LEU 57 3HD2 LEU 57 7.109 -4.724 2.846 454 HD22 LEU 57 1HD2 LEU 57 8.263 -5.941 2.299 455 HD23 LEU 57 2HD2 LEU 57 6.824 -5.596 1.338 456 H THR 58 H THR 58 9.052 -7.619 -1.329 457 HA THR 58 HA THR 58 11.261 -7.697 -3.245 458 HB THR 58 HB THR 58 10.191 -9.642 -4.200 459 HG1 THR 58 HG1 THR 58 8.118 -10.316 -3.120 460 HG21 THR 58 3HG2 THR 58 10.068 -11.143 -2.264 461 HG22 THR 58 1HG2 THR 58 9.962 -9.753 -1.184 462 HG23 THR 58 2HG2 THR 58 11.432 -10.035 -2.118 463 H GLU 59 H GLU 59 10.806 -7.642 -5.597 464 HA GLU 59 HA GLU 59 9.482 -5.367 -6.459 465 HB2 GLU 59 2HB GLU 59 10.189 -7.884 -7.976 466 HB3 GLU 59 3HB GLU 59 9.549 -6.444 -8.758 467 HG2 GLU 59 2HG GLU 59 11.477 -5.159 -7.930 468 HG3 GLU 59 3HG GLU 59 12.119 -6.624 -7.189 469 H SER 60 H SER 60 8.124 -8.497 -5.789 470 HA SER 60 HA SER 60 5.589 -7.974 -7.074 471 HB2 SER 60 2HB SER 60 6.285 -10.058 -4.979 472 HB3 SER 60 3HB SER 60 4.831 -10.032 -5.979 473 HG SER 60 HG SER 60 6.032 -11.252 -7.221 474 H GLN 61 H GLN 61 6.926 -7.714 -3.814 475 HA GLN 61 HA GLN 61 4.452 -7.135 -2.531 476 HB2 GLN 61 2HB GLN 61 7.331 -6.842 -1.693 477 HB3 GLN 61 3HB GLN 61 6.010 -6.297 -0.662 478 HG2 GLN 61 2HG GLN 61 5.101 -8.527 -0.551 479 HG3 GLN 61 3HG GLN 61 6.289 -9.111 -1.714 480 HE21 GLN 61 1HE2 GLN 61 5.713 -9.927 1.072 481 HE22 GLN 61 2HE2 GLN 61 7.221 -9.796 1.906 482 H LEU 62 H LEU 62 7.090 -4.983 -3.712 483 HA LEU 62 HA LEU 62 5.919 -2.554 -2.917 484 HB2 LEU 62 2HB LEU 62 7.681 -3.185 -5.286 485 HB3 LEU 62 3HB LEU 62 7.110 -1.562 -4.960 486 HG LEU 62 HG LEU 62 8.216 -1.877 -2.624 487 HD11 LEU 62 1HD1 LEU 62 10.129 -3.367 -2.591 488 HD12 LEU 62 2HD1 LEU 62 9.705 -3.974 -4.192 489 HD13 LEU 62 3HD1 LEU 62 8.632 -4.270 -2.825 490 HD21 LEU 62 3HD2 LEU 62 9.001 -0.301 -4.317 491 HD22 LEU 62 1HD2 LEU 62 9.904 -1.590 -5.113 492 HD23 LEU 62 2HD2 LEU 62 10.357 -1.069 -3.489 493 H ALA 63 H ALA 63 5.268 -4.585 -5.716 494 HA ALA 63 HA ALA 63 3.501 -2.850 -7.074 495 HB1 ALA 63 3HB ALA 63 4.490 -4.842 -8.117 496 HB2 ALA 63 1HB ALA 63 2.732 -4.840 -8.254 497 HB3 ALA 63 2HB ALA 63 3.523 -5.872 -7.062 498 H LEU 64 H LEU 64 2.858 -5.499 -4.760 499 HA LEU 64 HA LEU 64 0.082 -5.249 -4.641 500 HB2 LEU 64 2HB LEU 64 1.289 -7.139 -3.669 501 HB3 LEU 64 3HB LEU 64 1.989 -6.084 -2.454 502 HG LEU 64 HG LEU 64 -0.340 -5.629 -1.615 503 HD11 LEU 64 1HD1 LEU 64 -1.068 -7.922 -3.437 504 HD12 LEU 64 2HD1 LEU 64 -1.569 -6.243 -3.631 505 HD13 LEU 64 3HD1 LEU 64 -2.122 -7.170 -2.238 506 HD21 LEU 64 3HD2 LEU 64 -0.550 -7.741 -0.409 507 HD22 LEU 64 1HD2 LEU 64 1.131 -7.209 -0.482 508 HD23 LEU 64 2HD2 LEU 64 0.569 -8.502 -1.541 509 H VAL 65 H VAL 65 2.549 -3.652 -2.609 510 HA VAL 65 HA VAL 65 0.838 -2.268 -0.895 511 HB VAL 65 HB VAL 65 3.536 -1.380 -1.943 512 HG11 VAL 65 1HG1 VAL 65 2.013 -0.454 0.501 513 HG12 VAL 65 2HG1 VAL 65 2.324 0.498 -0.952 514 HG13 VAL 65 3HG1 VAL 65 3.663 0.005 0.083 515 HG21 VAL 65 3HG2 VAL 65 4.421 -2.348 0.127 516 HG22 VAL 65 1HG2 VAL 65 3.600 -3.570 -0.845 517 HG23 VAL 65 2HG2 VAL 65 2.803 -2.887 0.571 518 H ARG 66 H ARG 66 2.191 -1.195 -4.017 519 HA ARG 66 HA ARG 66 0.761 1.276 -4.042 520 HB2 ARG 66 2HB ARG 66 2.195 -0.260 -6.217 521 HB3 ARG 66 3HB ARG 66 1.429 1.304 -6.490 522 HG2 ARG 66 2HG ARG 66 2.881 2.337 -4.841 523 HG3 ARG 66 3HG ARG 66 3.616 0.776 -4.476 524 HD2 ARG 66 2HD ARG 66 3.688 2.075 -7.202 525 HD3 ARG 66 3HD ARG 66 4.954 2.267 -5.991 526 HE ARG 66 HE ARG 66 4.428 -0.475 -6.480 527 HH11 ARG 66 1HH1 ARG 66 5.991 2.281 -7.853 528 HH12 ARG 66 2HH1 ARG 66 7.139 1.326 -8.724 529 HH21 ARG 66 1HH2 ARG 66 5.929 -1.681 -7.609 530 HH22 ARG 66 2HH2 ARG 66 7.115 -0.878 -8.575 531 H ASP 67 H ASP 67 -0.025 -1.961 -5.033 532 HA ASP 67 HA ASP 67 -2.249 -1.356 -6.698 533 HB2 ASP 67 2HB ASP 67 -0.999 -3.555 -6.569 534 HB3 ASP 67 3HB ASP 67 -1.824 -3.857 -5.046 535 H ILE 68 H ILE 68 -2.127 -2.545 -3.326 536 HA ILE 68 HA ILE 68 -4.825 -2.221 -2.699 537 HB ILE 68 HB ILE 68 -2.425 -2.029 -0.857 538 HG12 ILE 68 2HG1 ILE 68 -4.245 -4.361 -1.532 539 HG13 ILE 68 3HG1 ILE 68 -2.582 -4.167 -2.072 540 HG21 ILE 68 1HG2 ILE 68 -4.351 -1.022 0.217 541 HG22 ILE 68 2HG2 ILE 68 -4.005 -2.583 0.960 542 HG23 ILE 68 3HG2 ILE 68 -5.344 -2.426 -0.178 543 HD11 ILE 68 3HD1 ILE 68 -1.835 -4.296 0.268 544 HD12 ILE 68 1HD1 ILE 68 -2.697 -5.743 -0.255 545 HD13 ILE 68 2HD1 ILE 68 -3.506 -4.556 0.767 546 H ARG 69 H ARG 69 -2.152 0.108 -2.523 547 HA ARG 69 HA ARG 69 -3.508 2.233 -1.299 548 HB2 ARG 69 2HB ARG 69 -1.041 2.110 -1.842 549 HB3 ARG 69 3HB ARG 69 -1.454 2.502 -3.506 550 HG2 ARG 69 2HG ARG 69 -2.402 4.634 -2.780 551 HG3 ARG 69 3HG ARG 69 -2.021 4.238 -1.101 552 HD2 ARG 69 2HD ARG 69 0.386 4.083 -1.769 553 HD3 ARG 69 3HD ARG 69 -0.072 4.667 -3.367 554 HE ARG 69 HE ARG 69 -0.381 6.224 -0.879 555 HH11 ARG 69 1HH1 ARG 69 0.159 6.039 -4.276 556 HH12 ARG 69 2HH1 ARG 69 0.495 7.728 -4.429 557 HH21 ARG 69 1HH2 ARG 69 0.039 8.406 -1.095 558 HH22 ARG 69 2HH2 ARG 69 0.403 9.050 -2.660 559 H ARG 70 H ARG 70 -3.319 1.299 -4.727 560 HA ARG 70 HA ARG 70 -4.974 3.360 -5.756 561 HB2 ARG 70 2HB ARG 70 -3.484 1.885 -7.122 562 HB3 ARG 70 3HB ARG 70 -4.585 0.548 -6.828 563 HG2 ARG 70 2HG ARG 70 -5.004 1.429 -9.012 564 HG3 ARG 70 3HG ARG 70 -6.375 1.827 -7.975 565 HD2 ARG 70 2HD ARG 70 -5.698 3.707 -9.428 566 HD3 ARG 70 3HD ARG 70 -5.574 4.096 -7.712 567 HE ARG 70 HE ARG 70 -3.079 3.333 -8.227 568 HH11 ARG 70 1HH1 ARG 70 -5.136 5.322 -10.128 569 HH12 ARG 70 2HH1 ARG 70 -3.846 6.327 -10.689 570 HH21 ARG 70 1HH2 ARG 70 -1.413 4.596 -8.977 571 HH22 ARG 70 2HH2 ARG 70 -1.754 5.923 -10.031 572 H ARG 71 H ARG 71 -5.674 0.026 -4.774 573 HA ARG 71 HA ARG 71 -8.379 -0.178 -5.191 574 HB2 ARG 71 2HB ARG 71 -6.675 -1.235 -2.933 575 HB3 ARG 71 3HB ARG 71 -8.349 -1.716 -3.166 576 HG2 ARG 71 2HG ARG 71 -6.414 -2.010 -5.430 577 HG3 ARG 71 3HG ARG 71 -6.393 -3.179 -4.106 578 HD2 ARG 71 2HD ARG 71 -8.794 -2.471 -5.803 579 HD3 ARG 71 3HD ARG 71 -7.824 -3.940 -5.944 580 HE ARG 71 HE ARG 71 -8.557 -4.070 -3.393 581 HH11 ARG 71 1HH1 ARG 71 -10.424 -3.412 -6.213 582 HH12 ARG 71 2HH1 ARG 71 -11.882 -4.013 -5.510 583 HH21 ARG 71 1HH2 ARG 71 -10.406 -4.828 -2.507 584 HH22 ARG 71 2HH2 ARG 71 -11.881 -4.810 -3.420 585 H GLY 72 H GLY 72 -6.741 1.506 -2.555 586 HA2 GLY 72 2HA GLY 72 -9.234 2.145 -1.195 587 HA3 GLY 72 3HA GLY 72 -7.623 2.643 -0.712 588 H LYS 73 H LYS 73 -6.707 4.015 -2.922 589 HA LYS 73 HA LYS 73 -7.989 6.513 -2.538 590 HB2 LYS 73 2HB LYS 73 -5.939 5.699 -4.609 591 HB3 LYS 73 3HB LYS 73 -6.453 7.356 -4.313 592 HG2 LYS 73 2HG LYS 73 -5.704 7.016 -1.910 593 HG3 LYS 73 3HG LYS 73 -4.947 5.523 -2.461 594 HD2 LYS 73 2HD LYS 73 -3.299 7.294 -2.415 595 HD3 LYS 73 3HD LYS 73 -3.619 6.841 -4.089 596 HE2 LYS 73 2HE LYS 73 -5.032 8.778 -4.396 597 HE3 LYS 73 3HE LYS 73 -4.908 9.187 -2.687 598 HZ1 LYS 73 3HZ LYS 73 -2.622 9.144 -4.573 599 HZ2 LYS 73 1HZ LYS 73 -2.590 9.657 -2.961 600 HZ3 LYS 73 2HZ LYS 73 -3.462 10.535 -4.114 601 H ASN 74 H ASN 74 -8.515 4.013 -4.902 602 HA ASN 74 HA ASN 74 -10.019 5.434 -6.800 603 HB2 ASN 74 2HB ASN 74 -10.161 2.593 -5.793 604 HB3 ASN 74 3HB ASN 74 -11.267 3.182 -7.030 605 HD21 ASN 74 1HD2 ASN 74 -10.284 1.518 -8.346 606 HD22 ASN 74 2HD2 ASN 74 -8.796 1.848 -9.158 607 H LYS 75 H LYS 75 -10.939 4.112 -3.651 608 HA LYS 75 HA LYS 75 -13.701 4.820 -3.794 609 HB2 LYS 75 2HB LYS 75 -12.896 3.102 -2.247 610 HB3 LYS 75 3HB LYS 75 -11.908 4.288 -1.407 611 HG2 LYS 75 2HG LYS 75 -13.898 3.805 -0.130 612 HG3 LYS 75 3HG LYS 75 -13.940 5.473 -0.704 613 HD2 LYS 75 2HD LYS 75 -15.458 4.831 -2.508 614 HD3 LYS 75 3HD LYS 75 -15.383 3.146 -1.991 615 HE2 LYS 75 2HE LYS 75 -16.410 3.742 0.142 616 HE3 LYS 75 3HE LYS 75 -16.441 5.439 -0.332 617 HZ1 LYS 75 3HZ LYS 75 -18.586 4.354 -0.648 618 HZ2 LYS 75 1HZ LYS 75 -17.887 3.249 -1.721 619 HZ3 LYS 75 2HZ LYS 75 -17.948 4.892 -2.120 620 H VAL 76 H VAL 76 -10.835 6.384 -2.394 621 HA VAL 76 HA VAL 76 -12.107 8.628 -1.268 622 HB VAL 76 HB VAL 76 -9.297 8.489 -2.390 623 HG11 VAL 76 1HG1 VAL 76 -10.503 10.328 -0.315 624 HG12 VAL 76 2HG1 VAL 76 -10.007 10.778 -1.946 625 HG13 VAL 76 3HG1 VAL 76 -8.799 10.273 -0.765 626 HG21 VAL 76 3HG2 VAL 76 -8.599 7.886 -0.111 627 HG22 VAL 76 1HG2 VAL 76 -9.690 6.679 -0.795 628 HG23 VAL 76 2HG2 VAL 76 -10.289 7.838 0.393 629 H ALA 77 H ALA 77 -10.707 8.134 -4.492 630 HA ALA 77 HA ALA 77 -10.988 10.775 -5.433 631 HB1 ALA 77 3HB ALA 77 -9.503 9.107 -6.461 632 HB2 ALA 77 1HB ALA 77 -10.580 9.851 -7.644 633 HB3 ALA 77 2HB ALA 77 -10.912 8.225 -7.049 634 H ALA 78 H ALA 78 -13.296 8.160 -5.231 635 HA ALA 78 HA ALA 78 -15.234 9.246 -7.016 636 HB1 ALA 78 3HB ALA 78 -15.259 6.891 -6.322 637 HB2 ALA 78 1HB ALA 78 -16.794 7.684 -5.959 638 HB3 ALA 78 2HB ALA 78 -15.629 7.382 -4.669 639 H GLN 79 H GLN 79 -14.556 9.654 -3.589 640 HA GLN 79 HA GLN 79 -16.847 11.312 -3.054 641 HB2 GLN 79 2HB GLN 79 -14.297 10.873 -1.475 642 HB3 GLN 79 3HB GLN 79 -15.718 11.723 -0.881 643 HG2 GLN 79 2HG GLN 79 -17.033 9.709 -0.994 644 HG3 GLN 79 3HG GLN 79 -15.699 8.839 -1.748 645 HE21 GLN 79 1HE2 GLN 79 -15.713 7.305 -0.103 646 HE22 GLN 79 2HE2 GLN 79 -15.102 7.640 1.476 647 H ASN 80 H ASN 80 -13.338 11.972 -3.261 648 HA ASN 80 HA ASN 80 -13.947 14.825 -3.674 649 HB2 ASN 80 2HB ASN 80 -12.483 14.252 -1.742 650 HB3 ASN 80 3HB ASN 80 -11.315 13.560 -2.861 651 HD21 ASN 80 1HD2 ASN 80 -10.061 14.913 -4.107 652 HD22 ASN 80 2HD2 ASN 80 -9.949 16.613 -3.810 653 H TYR 81 H TYR 81 -14.420 14.622 -5.905 654 HA TYR 81 HA TYR 81 -12.039 14.235 -7.611 655 HB2 TYR 81 2HB TYR 81 -13.699 12.457 -7.990 656 HB3 TYR 81 3HB TYR 81 -14.931 13.668 -8.325 657 HD1 TYR 81 HD1 TYR 81 -11.456 12.860 -9.490 658 HD2 TYR 81 HD2 TYR 81 -15.419 14.002 -10.569 659 HE1 TYR 81 HE1 TYR 81 -10.822 12.811 -11.863 660 HE2 TYR 81 HE2 TYR 81 -14.787 13.959 -12.945 661 HH TYR 81 HH TYR 81 -12.002 12.488 -14.065 662 H ARG 82 H ARG 82 -11.522 15.847 -8.993 663 HA ARG 82 HA ARG 82 -13.405 17.804 -9.901 664 HB2 ARG 82 2HB ARG 82 -12.414 19.779 -8.869 665 HB3 ARG 82 3HB ARG 82 -13.004 18.679 -7.635 666 HG2 ARG 82 2HG ARG 82 -10.109 18.843 -8.465 667 HG3 ARG 82 3HG ARG 82 -10.804 19.782 -7.144 668 HD2 ARG 82 2HD ARG 82 -11.504 17.614 -6.092 669 HD3 ARG 82 3HD ARG 82 -10.587 16.775 -7.346 670 HE ARG 82 HE ARG 82 -9.368 18.644 -5.405 671 HH11 ARG 82 1HH1 ARG 82 -9.259 15.734 -7.261 672 HH12 ARG 82 2HH1 ARG 82 -7.728 15.263 -6.620 673 HH21 ARG 82 1HH2 ARG 82 -7.412 17.994 -4.574 674 HH22 ARG 82 2HH2 ARG 82 -6.694 16.520 -5.128 675 H LYS 83 H LYS 83 -12.750 18.662 -11.806 676 HA LYS 83 HA LYS 83 -10.082 17.958 -12.778 677 HB2 LYS 83 2HB LYS 83 -12.502 19.101 -14.194 678 HB3 LYS 83 3HB LYS 83 -10.966 18.768 -14.984 679 HG2 LYS 83 2HG LYS 83 -11.199 16.386 -14.402 680 HG3 LYS 83 3HG LYS 83 -12.759 16.735 -13.654 681 HD2 LYS 83 2HD LYS 83 -13.043 15.850 -15.921 682 HD3 LYS 83 3HD LYS 83 -13.631 17.512 -15.805 683 HE2 LYS 83 2HE LYS 83 -11.469 18.289 -16.753 684 HE3 LYS 83 3HE LYS 83 -10.988 16.605 -16.959 685 HZ1 LYS 83 3HZ LYS 83 -12.792 16.275 -18.478 686 HZ2 LYS 83 1HZ LYS 83 -11.903 17.620 -18.988 687 HZ3 LYS 83 2HZ LYS 83 -13.385 17.831 -18.203 688 H ARG 84 H ARG 84 -8.490 19.408 -13.269 689 HA ARG 84 HA ARG 84 -9.012 22.228 -13.534 690 HB2 ARG 84 2HB ARG 84 -7.628 22.974 -11.672 691 HB3 ARG 84 3HB ARG 84 -8.967 22.000 -11.081 692 HG2 ARG 84 2HG ARG 84 -7.465 20.076 -10.832 693 HG3 ARG 84 3HG ARG 84 -6.122 21.050 -11.432 694 HD2 ARG 84 2HD ARG 84 -6.506 22.620 -9.523 695 HD3 ARG 84 3HD ARG 84 -7.697 21.482 -8.894 696 HE ARG 84 HE ARG 84 -5.747 19.847 -8.888 697 HH11 ARG 84 1HH1 ARG 84 -5.405 23.229 -8.392 698 HH12 ARG 84 2HH1 ARG 84 -3.944 23.064 -7.483 699 HH21 ARG 84 1HH2 ARG 84 -3.888 19.637 -7.692 700 HH22 ARG 84 2HH2 ARG 84 -3.096 21.049 -7.085 701 H LYS 85 H LYS 85 -7.412 23.277 -14.647 702 HA LYS 85 HA LYS 85 -5.348 21.734 -15.899 703 HB2 LYS 85 2HB LYS 85 -5.893 24.715 -15.901 704 HB3 LYS 85 3HB LYS 85 -4.695 23.923 -16.918 705 HG2 LYS 85 2HG LYS 85 -6.392 22.720 -18.105 706 HG3 LYS 85 3HG LYS 85 -7.640 23.265 -16.981 707 HD2 LYS 85 2HD LYS 85 -6.032 25.049 -18.822 708 HD3 LYS 85 3HD LYS 85 -7.688 24.510 -19.110 709 HE2 LYS 85 2HE LYS 85 -8.379 25.629 -17.006 710 HE3 LYS 85 3HE LYS 85 -6.733 26.232 -16.816 711 HZ1 LYS 85 3HZ LYS 85 -6.981 27.418 -18.917 712 HZ2 LYS 85 1HZ LYS 85 -8.151 27.899 -17.795 713 HZ3 LYS 85 2HZ LYS 85 -8.572 26.861 -19.060 714 H LEU 86 H LEU 86 -3.365 21.323 -15.117 715 HA LEU 86 HA LEU 86 -2.508 22.267 -12.593 716 HB2 LEU 86 2HB LEU 86 -1.001 20.806 -14.767 717 HB3 LEU 86 3HB LEU 86 -0.317 21.165 -13.195 718 HG LEU 86 HG LEU 86 -1.034 18.890 -13.170 719 HD11 LEU 86 1HD1 LEU 86 -2.668 18.879 -11.349 720 HD12 LEU 86 2HD1 LEU 86 -3.034 20.576 -11.666 721 HD13 LEU 86 3HD1 LEU 86 -1.428 20.108 -11.109 722 HD21 LEU 86 3HD2 LEU 86 -3.758 19.848 -14.058 723 HD22 LEU 86 1HD2 LEU 86 -3.332 18.192 -13.622 724 HD23 LEU 86 2HD2 LEU 86 -2.600 18.947 -15.037 725 H GLU 87 H GLU 87 -1.978 24.323 -12.239 726 HA GLU 87 HA GLU 87 -1.140 26.173 -14.158 727 HB2 GLU 87 2HB GLU 87 -0.564 27.648 -12.239 728 HB3 GLU 87 3HB GLU 87 -2.167 26.943 -12.120 729 HG2 GLU 87 2HG GLU 87 0.072 25.541 -10.747 730 HG3 GLU 87 3HG GLU 87 -0.514 27.048 -10.052 731 H THR 88 H THR 88 0.721 26.353 -15.205 732 HA THR 88 HA THR 88 3.161 25.162 -14.146 733 HB THR 88 HB THR 88 2.749 26.682 -16.739 734 HG1 THR 88 HG1 THR 88 3.044 24.330 -17.476 735 HG21 THR 88 3HG2 THR 88 5.040 24.925 -15.833 736 HG22 THR 88 1HG2 THR 88 5.092 26.680 -16.022 737 HG23 THR 88 2HG2 THR 88 4.866 25.645 -17.433 738 H ILE 89 H ILE 89 3.717 26.437 -12.377 739 HA ILE 89 HA ILE 89 3.753 29.286 -12.436 740 HB ILE 89 HB ILE 89 5.171 27.413 -10.523 741 HG12 ILE 89 2HG1 ILE 89 2.437 28.726 -10.318 742 HG13 ILE 89 3HG1 ILE 89 2.731 27.017 -10.621 743 HG21 ILE 89 1HG2 ILE 89 6.067 29.686 -10.447 744 HG22 ILE 89 2HG2 ILE 89 5.167 29.317 -8.977 745 HG23 ILE 89 3HG2 ILE 89 4.440 30.333 -10.221 746 HD11 ILE 89 3HD1 ILE 89 3.761 26.801 -8.423 747 HD12 ILE 89 1HD1 ILE 89 2.112 27.417 -8.311 748 HD13 ILE 89 2HD1 ILE 89 3.478 28.516 -8.119 749 H VAL 90 H VAL 90 6.502 26.994 -12.180 750 HA VAL 90 HA VAL 90 8.329 29.030 -13.186 751 HB VAL 90 HB VAL 90 10.112 27.372 -12.774 752 HG11 VAL 90 1HG1 VAL 90 9.935 27.309 -10.339 753 HG12 VAL 90 2HG1 VAL 90 8.212 27.669 -10.444 754 HG13 VAL 90 3HG1 VAL 90 9.396 28.867 -10.968 755 HG21 VAL 90 3HG2 VAL 90 8.866 25.327 -13.290 756 HG22 VAL 90 1HG2 VAL 90 7.873 25.558 -11.851 757 HG23 VAL 90 2HG2 VAL 90 9.599 25.229 -11.689 758 H GLN 91 H GLN 91 9.497 28.903 -15.107 759 HA GLN 91 HA GLN 91 8.137 27.599 -17.279 760 HB2 GLN 91 2HB GLN 91 10.629 29.312 -17.190 761 HB3 GLN 91 3HB GLN 91 9.948 28.674 -18.679 762 HG2 GLN 91 2HG GLN 91 9.245 30.943 -18.424 763 HG3 GLN 91 3HG GLN 91 7.847 29.897 -18.202 764 HE21 GLN 91 1HE2 GLN 91 10.076 32.058 -16.650 765 HE22 GLN 91 2HE2 GLN 91 9.173 32.256 -15.191 Start of MODEL 16 1 H1 MET 1 1H MET 1 47.801 -7.028 10.197 2 H2 MET 1 2H MET 1 46.752 -6.201 9.163 3 H3 MET 1 3H MET 1 46.194 -7.524 10.055 4 HA MET 1 HA MET 1 46.505 -6.345 12.111 5 HB2 MET 1 2HB MET 1 48.445 -5.019 11.369 6 HB3 MET 1 3HB MET 1 47.407 -4.073 10.315 7 HG2 MET 1 2HG MET 1 47.061 -4.174 13.301 8 HG3 MET 1 3HG MET 1 48.078 -2.991 12.485 9 HE1 MET 1 3HE MET 1 45.674 -2.216 14.463 10 HE2 MET 1 1HE MET 1 44.967 -0.868 13.569 11 HE3 MET 1 2HE MET 1 46.722 -1.041 13.662 12 H GLY 2 H GLY 2 44.696 -5.316 12.991 13 HA2 GLY 2 2HA GLY 2 42.781 -3.952 12.966 14 HA3 GLY 2 3HA GLY 2 42.854 -3.900 11.214 15 H HIS 3 H HIS 3 40.699 -4.580 13.264 16 HA HIS 3 HA HIS 3 39.973 -7.314 12.605 17 HB2 HIS 3 2HB HIS 3 38.397 -5.145 14.027 18 HB3 HIS 3 3HB HIS 3 37.917 -6.832 13.897 19 HD1 HIS 3 HD1 HIS 3 38.436 -8.140 15.925 20 HD2 HIS 3 HD2 HIS 3 41.094 -4.985 15.421 21 HE1 HIS 3 HE1 HIS 3 39.958 -8.217 17.919 22 HE2 HIS 3 HE2 HIS 3 41.467 -6.223 17.659 23 H HIS 4 H HIS 4 38.919 -7.880 10.766 24 HA HIS 4 HA HIS 4 38.061 -6.047 8.820 25 HB2 HIS 4 2HB HIS 4 37.294 -8.949 9.209 26 HB3 HIS 4 3HB HIS 4 36.889 -8.005 7.779 27 HD1 HIS 4 HD1 HIS 4 39.453 -10.170 9.121 28 HD2 HIS 4 HD2 HIS 4 39.320 -7.039 6.393 29 HE1 HIS 4 HE1 HIS 4 41.565 -10.355 7.781 30 HE2 HIS 4 HE2 HIS 4 41.554 -8.332 6.292 31 H HIS 5 H HIS 5 35.849 -8.247 10.578 32 HA HIS 5 HA HIS 5 33.775 -7.951 11.467 33 HB2 HIS 5 2HB HIS 5 35.194 -6.333 12.826 34 HB3 HIS 5 3HB HIS 5 34.567 -5.049 11.802 35 HD1 HIS 5 HD1 HIS 5 33.477 -7.525 14.419 36 HD2 HIS 5 HD2 HIS 5 32.021 -4.159 12.465 37 HE1 HIS 5 HE1 HIS 5 31.396 -6.879 15.656 38 HE2 HIS 5 HE2 HIS 5 30.659 -4.730 14.589 39 H HIS 6 H HIS 6 33.925 -7.738 8.627 40 HA HIS 6 HA HIS 6 32.432 -5.449 7.721 41 HB2 HIS 6 2HB HIS 6 33.166 -8.023 6.305 42 HB3 HIS 6 3HB HIS 6 32.387 -6.646 5.530 43 HD1 HIS 6 HD1 HIS 6 35.465 -8.036 5.375 44 HD2 HIS 6 HD2 HIS 6 34.271 -4.216 6.497 45 HE1 HIS 6 HE1 HIS 6 37.479 -6.576 5.044 46 HE2 HIS 6 HE2 HIS 6 36.771 -4.301 5.842 47 H HIS 7 H HIS 7 30.317 -5.185 7.985 48 HA HIS 7 HA HIS 7 28.507 -7.301 8.631 49 HB2 HIS 7 2HB HIS 7 27.989 -5.140 9.503 50 HB3 HIS 7 3HB HIS 7 28.116 -4.390 7.916 51 HD1 HIS 7 HD1 HIS 7 26.094 -4.594 6.333 52 HD2 HIS 7 HD2 HIS 7 25.506 -6.378 10.041 53 HE1 HIS 7 HE1 HIS 7 23.639 -5.066 6.467 54 HE2 HIS 7 HE2 HIS 7 23.278 -5.973 8.779 55 H HIS 8 H HIS 8 27.868 -8.784 7.177 56 HA HIS 8 HA HIS 8 27.543 -8.002 4.362 57 HB2 HIS 8 2HB HIS 8 27.698 -10.737 5.656 58 HB3 HIS 8 3HB HIS 8 27.424 -10.467 3.936 59 HD1 HIS 8 HD1 HIS 8 30.060 -11.219 6.180 60 HD2 HIS 8 HD2 HIS 8 29.701 -8.761 2.849 61 HE1 HIS 8 HE1 HIS 8 32.406 -10.807 5.391 62 HE2 HIS 8 HE2 HIS 8 32.144 -9.502 3.259 63 H SER 9 H SER 9 25.738 -9.567 7.018 64 HA SER 9 HA SER 9 23.233 -8.662 5.863 65 HB2 SER 9 2HB SER 9 23.578 -10.756 4.633 66 HB3 SER 9 3HB SER 9 23.779 -11.634 6.147 67 HG SER 9 HG SER 9 21.701 -11.910 6.022 68 H HIS 10 H HIS 10 21.330 -9.672 7.185 69 HA HIS 10 HA HIS 10 21.919 -10.201 9.980 70 HB2 HIS 10 2HB HIS 10 21.938 -7.754 9.943 71 HB3 HIS 10 3HB HIS 10 20.382 -7.727 9.123 72 HD1 HIS 10 HD1 HIS 10 18.277 -8.211 10.556 73 HD2 HIS 10 HD2 HIS 10 21.832 -8.184 12.712 74 HE1 HIS 10 HE1 HIS 10 17.600 -8.154 12.971 75 HE2 HIS 10 HE2 HIS 10 19.757 -8.017 14.249 76 H MET 11 H MET 11 20.525 -11.747 10.634 77 HA MET 11 HA MET 11 18.138 -12.260 9.007 78 HB2 MET 11 2HB MET 11 18.097 -14.463 10.116 79 HB3 MET 11 3HB MET 11 19.623 -14.140 9.307 80 HG2 MET 11 2HG MET 11 20.622 -13.544 11.481 81 HG3 MET 11 3HG MET 11 19.099 -13.957 12.267 82 HE1 MET 11 3HE MET 11 18.160 -16.509 10.583 83 HE2 MET 11 1HE MET 11 18.092 -16.439 12.343 84 HE3 MET 11 2HE MET 11 18.849 -17.816 11.543 85 H ALA 12 H ALA 12 16.073 -12.372 9.787 86 HA ALA 12 HA ALA 12 15.392 -12.204 12.568 87 HB1 ALA 12 3HB ALA 12 16.022 -9.861 12.175 88 HB2 ALA 12 1HB ALA 12 14.297 -10.013 12.508 89 HB3 ALA 12 2HB ALA 12 14.858 -9.768 10.854 90 H LYS 13 H LYS 13 12.929 -11.966 12.809 91 HA LYS 13 HA LYS 13 11.601 -13.243 10.498 92 HB2 LYS 13 2HB LYS 13 11.083 -13.579 13.457 93 HB3 LYS 13 3HB LYS 13 10.029 -14.224 12.209 94 HG2 LYS 13 2HG LYS 13 12.947 -14.937 12.297 95 HG3 LYS 13 3HG LYS 13 11.766 -15.783 13.296 96 HD2 LYS 13 2HD LYS 13 12.036 -17.084 11.327 97 HD3 LYS 13 3HD LYS 13 10.481 -16.272 11.172 98 HE2 LYS 13 2HE LYS 13 11.543 -14.582 9.716 99 HE3 LYS 13 3HE LYS 13 13.071 -15.452 9.846 100 HZ1 LYS 13 3HZ LYS 13 11.936 -16.027 7.811 101 HZ2 LYS 13 1HZ LYS 13 10.556 -16.503 8.666 102 HZ3 LYS 13 2HZ LYS 13 11.993 -17.374 8.825 103 HA PRO 14 HA PRO 14 8.926 -9.571 10.895 104 HB2 PRO 14 2HB PRO 14 8.887 -8.879 8.324 105 HB3 PRO 14 3HB PRO 14 10.322 -8.572 9.311 106 HG2 PRO 14 2HG PRO 14 9.844 -10.689 7.264 107 HG3 PRO 14 3HG PRO 14 11.337 -9.817 7.657 108 HD2 PRO 14 2HD PRO 14 10.588 -12.396 8.569 109 HD3 PRO 14 3HD PRO 14 11.951 -11.419 9.149 110 H THR 15 H THR 15 6.695 -9.522 10.653 111 HA THR 15 HA THR 15 5.306 -10.964 8.602 112 HB THR 15 HB THR 15 5.809 -12.859 10.106 113 HG1 THR 15 HG1 THR 15 3.359 -13.235 10.580 114 HG21 THR 15 3HG2 THR 15 4.784 -12.990 12.327 115 HG22 THR 15 1HG2 THR 15 4.172 -11.344 12.153 116 HG23 THR 15 2HG2 THR 15 5.912 -11.636 12.235 117 H ALA 16 H ALA 16 2.960 -10.700 8.736 118 HA ALA 16 HA ALA 16 2.196 -8.264 10.192 119 HB1 ALA 16 3HB ALA 16 0.306 -8.146 8.644 120 HB2 ALA 16 1HB ALA 16 0.786 -9.684 7.926 121 HB3 ALA 16 2HB ALA 16 1.831 -8.272 7.764 122 H ARG 17 H ARG 17 1.438 -8.734 12.189 123 HA ARG 17 HA ARG 17 0.119 -11.152 12.878 124 HB2 ARG 17 2HB ARG 17 1.312 -9.898 14.572 125 HB3 ARG 17 3HB ARG 17 0.284 -8.494 14.317 126 HG2 ARG 17 2HG ARG 17 -1.623 -9.659 15.228 127 HG3 ARG 17 3HG ARG 17 -0.692 -11.151 15.358 128 HD2 ARG 17 2HD ARG 17 0.744 -10.173 17.036 129 HD3 ARG 17 3HD ARG 17 -0.019 -8.598 16.822 130 HE ARG 17 HE ARG 17 -1.914 -9.370 17.961 131 HH11 ARG 17 1HH1 ARG 17 0.513 -11.807 17.761 132 HH12 ARG 17 2HH1 ARG 17 -0.221 -12.788 18.976 133 HH21 ARG 17 1HH2 ARG 17 -2.820 -10.607 19.546 134 HH22 ARG 17 2HH2 ARG 17 -2.099 -12.120 19.973 135 H GLY 18 H GLY 18 -1.715 -11.613 11.774 136 HA2 GLY 18 2HA GLY 18 -4.163 -10.473 12.494 137 HA3 GLY 18 3HA GLY 18 -3.667 -9.707 10.993 138 H GLU 19 H GLU 19 -5.878 -10.829 10.592 139 HA GLU 19 HA GLU 19 -5.455 -13.017 8.822 140 HB2 GLU 19 2HB GLU 19 -5.477 -14.061 11.214 141 HB3 GLU 19 3HB GLU 19 -7.202 -13.752 11.175 142 HG2 GLU 19 2HG GLU 19 -5.748 -15.409 9.118 143 HG3 GLU 19 3HG GLU 19 -6.497 -16.076 10.563 144 H ALA 20 H ALA 20 -7.704 -11.112 10.743 145 HA ALA 20 HA ALA 20 -9.773 -11.323 8.676 146 HB1 ALA 20 3HB ALA 20 -11.254 -10.297 10.306 147 HB2 ALA 20 1HB ALA 20 -9.899 -10.034 11.406 148 HB3 ALA 20 2HB ALA 20 -10.422 -11.675 11.026 149 H GLY 21 H GLY 21 -11.079 -8.950 8.866 150 HA2 GLY 21 2HA GLY 21 -10.680 -6.556 8.832 151 HA3 GLY 21 3HA GLY 21 -9.061 -6.879 8.239 152 H SER 22 H SER 22 -9.716 -5.236 6.648 153 HA SER 22 HA SER 22 -11.732 -5.700 4.711 154 HB2 SER 22 2HB SER 22 -9.233 -3.993 4.510 155 HB3 SER 22 3HB SER 22 -10.626 -3.900 3.433 156 HG SER 22 HG SER 22 -10.778 -2.312 5.026 157 H ARG 23 H ARG 23 -11.468 -6.208 2.441 158 HA ARG 23 HA ARG 23 -9.993 -8.551 1.984 159 HB2 ARG 23 2HB ARG 23 -11.292 -6.640 0.041 160 HB3 ARG 23 3HB ARG 23 -10.568 -8.169 -0.449 161 HG2 ARG 23 2HG ARG 23 -12.116 -9.318 1.149 162 HG3 ARG 23 3HG ARG 23 -12.918 -7.768 1.399 163 HD2 ARG 23 2HD ARG 23 -14.060 -9.222 -0.262 164 HD3 ARG 23 3HD ARG 23 -13.564 -7.665 -0.919 165 HE ARG 23 HE ARG 23 -12.283 -8.792 -2.424 166 HH11 ARG 23 1HH1 ARG 23 -12.821 -10.917 0.254 167 HH12 ARG 23 2HH1 ARG 23 -11.920 -12.208 -0.462 168 HH21 ARG 23 1HH2 ARG 23 -11.165 -10.490 -3.334 169 HH22 ARG 23 2HH2 ARG 23 -11.006 -11.976 -2.456 170 H ASP 24 H ASP 24 -9.079 -5.205 1.525 171 HA ASP 24 HA ASP 24 -6.728 -5.723 -0.001 172 HB2 ASP 24 2HB ASP 24 -6.033 -3.418 0.954 173 HB3 ASP 24 3HB ASP 24 -7.438 -3.501 -0.105 174 H GLU 25 H GLU 25 -7.260 -5.318 3.513 175 HA GLU 25 HA GLU 25 -4.727 -5.744 4.503 176 HB2 GLU 25 2HB GLU 25 -7.409 -6.702 5.508 177 HB3 GLU 25 3HB GLU 25 -5.929 -6.977 6.414 178 HG2 GLU 25 2HG GLU 25 -6.703 -4.208 5.560 179 HG3 GLU 25 3HG GLU 25 -7.420 -4.944 6.991 180 H ARG 26 H ARG 26 -7.028 -8.204 3.359 181 HA ARG 26 HA ARG 26 -5.491 -10.474 3.975 182 HB2 ARG 26 2HB ARG 26 -7.657 -9.988 1.948 183 HB3 ARG 26 3HB ARG 26 -6.826 -11.538 2.033 184 HG2 ARG 26 2HG ARG 26 -7.450 -11.514 4.528 185 HG3 ARG 26 3HG ARG 26 -8.590 -10.241 4.088 186 HD2 ARG 26 2HD ARG 26 -9.805 -11.687 2.659 187 HD3 ARG 26 3HD ARG 26 -8.519 -12.894 2.661 188 HE ARG 26 HE ARG 26 -10.615 -12.617 4.579 189 HH11 ARG 26 1HH1 ARG 26 -7.352 -13.662 4.148 190 HH12 ARG 26 2HH1 ARG 26 -7.394 -14.720 5.515 191 HH21 ARG 26 1HH2 ARG 26 -10.644 -14.012 6.333 192 HH22 ARG 26 2HH2 ARG 26 -9.218 -14.907 6.739 193 H ARG 27 H ARG 27 -5.252 -8.256 1.252 194 HA ARG 27 HA ARG 27 -3.435 -9.844 -0.280 195 HB2 ARG 27 2HB ARG 27 -4.217 -6.954 -0.253 196 HB3 ARG 27 3HB ARG 27 -2.732 -7.396 -1.075 197 HG2 ARG 27 2HG ARG 27 -4.456 -7.321 -2.697 198 HG3 ARG 27 3HG ARG 27 -4.038 -9.013 -2.447 199 HD2 ARG 27 2HD ARG 27 -6.007 -9.331 -1.068 200 HD3 ARG 27 3HD ARG 27 -6.394 -7.611 -1.175 201 HE ARG 27 HE ARG 27 -6.212 -9.040 -3.696 202 HH11 ARG 27 1HH1 ARG 27 -8.286 -7.892 -1.195 203 HH12 ARG 27 2HH1 ARG 27 -9.680 -7.884 -2.220 204 HH21 ARG 27 1HH2 ARG 27 -8.006 -9.032 -4.980 205 HH22 ARG 27 2HH2 ARG 27 -9.531 -8.550 -4.320 206 H ALA 28 H ALA 28 -3.022 -7.331 2.184 207 HA ALA 28 HA ALA 28 -0.240 -7.064 2.094 208 HB1 ALA 28 3HB ALA 28 -1.686 -5.489 3.261 209 HB2 ALA 28 1HB ALA 28 -0.433 -6.099 4.341 210 HB3 ALA 28 2HB ALA 28 -2.081 -6.717 4.465 211 H LEU 29 H LEU 29 -2.105 -8.957 4.497 212 HA LEU 29 HA LEU 29 0.147 -10.157 5.681 213 HB2 LEU 29 2HB LEU 29 -1.479 -11.738 6.703 214 HB3 LEU 29 3HB LEU 29 -1.890 -10.049 6.907 215 HG LEU 29 HG LEU 29 -3.436 -10.441 4.823 216 HD11 LEU 29 1HD1 LEU 29 -4.375 -12.715 4.748 217 HD12 LEU 29 2HD1 LEU 29 -3.116 -13.259 5.855 218 HD13 LEU 29 3HD1 LEU 29 -2.685 -12.668 4.252 219 HD21 LEU 29 3HD2 LEU 29 -4.120 -11.544 7.549 220 HD22 LEU 29 1HD2 LEU 29 -5.274 -11.054 6.310 221 HD23 LEU 29 2HD2 LEU 29 -4.225 -9.851 7.059 222 H ALA 30 H ALA 30 -1.620 -11.038 2.811 223 HA ALA 30 HA ALA 30 -0.741 -13.745 2.647 224 HB1 ALA 30 3HB ALA 30 -1.657 -11.912 0.429 225 HB2 ALA 30 1HB ALA 30 -2.700 -12.933 1.421 226 HB3 ALA 30 2HB ALA 30 -1.517 -13.668 0.337 227 H MET 31 H MET 31 0.569 -10.684 1.443 228 HA MET 31 HA MET 31 2.840 -12.111 0.228 229 HB2 MET 31 2HB MET 31 1.882 -9.261 -0.055 230 HB3 MET 31 3HB MET 31 3.363 -9.870 -0.783 231 HG2 MET 31 2HG MET 31 0.577 -10.875 -1.343 232 HG3 MET 31 3HG MET 31 1.537 -9.826 -2.387 233 HE1 MET 31 3HE MET 31 3.708 -10.593 -3.684 234 HE2 MET 31 1HE MET 31 4.454 -12.182 -3.496 235 HE3 MET 31 2HE MET 31 4.447 -11.045 -2.146 236 H LYS 32 H LYS 32 2.406 -11.518 3.186 237 HA LYS 32 HA LYS 32 3.735 -11.147 4.992 238 HB2 LYS 32 2HB LYS 32 5.955 -11.202 2.933 239 HB3 LYS 32 3HB LYS 32 6.187 -11.313 4.672 240 HG2 LYS 32 2HG LYS 32 4.934 -13.410 4.717 241 HG3 LYS 32 3HG LYS 32 4.669 -13.294 2.977 242 HD2 LYS 32 2HD LYS 32 7.096 -13.402 2.605 243 HD3 LYS 32 3HD LYS 32 7.356 -13.526 4.345 244 HE2 LYS 32 2HE LYS 32 5.851 -15.506 2.630 245 HE3 LYS 32 3HE LYS 32 7.482 -15.720 3.261 246 HZ1 LYS 32 3HZ LYS 32 5.010 -15.458 4.888 247 HZ2 LYS 32 1HZ LYS 32 6.574 -15.629 5.509 248 HZ3 LYS 32 2HZ LYS 32 5.875 -16.883 4.618 249 H ILE 33 H ILE 33 2.577 -8.840 3.739 250 HA ILE 33 HA ILE 33 4.511 -6.688 3.948 251 HB ILE 33 HB ILE 33 1.495 -6.570 3.678 252 HG12 ILE 33 2HG1 ILE 33 2.528 -7.681 1.749 253 HG13 ILE 33 3HG1 ILE 33 1.911 -6.098 1.295 254 HG21 ILE 33 1HG2 ILE 33 3.575 -4.413 3.320 255 HG22 ILE 33 2HG2 ILE 33 2.371 -4.512 4.605 256 HG23 ILE 33 3HG2 ILE 33 1.861 -4.250 2.938 257 HD11 ILE 33 3HD1 ILE 33 4.180 -5.193 1.402 258 HD12 ILE 33 1HD1 ILE 33 4.048 -6.528 0.258 259 HD13 ILE 33 2HD1 ILE 33 4.790 -6.790 1.837 260 HA PRO 34 HA PRO 34 3.711 -6.879 8.399 261 HB2 PRO 34 2HB PRO 34 5.925 -5.615 9.241 262 HB3 PRO 34 3HB PRO 34 5.987 -7.247 8.559 263 HG2 PRO 34 2HG PRO 34 6.622 -4.621 7.257 264 HG3 PRO 34 3HG PRO 34 7.498 -6.159 7.157 265 HD2 PRO 34 2HD PRO 34 5.741 -5.257 5.239 266 HD3 PRO 34 3HD PRO 34 6.126 -6.969 5.507 267 H PHE 35 H PHE 35 2.978 -4.373 6.526 268 HA PHE 35 HA PHE 35 2.362 -2.664 8.837 269 HB2 PHE 35 2HB PHE 35 2.733 -0.635 7.386 270 HB3 PHE 35 3HB PHE 35 4.185 -1.507 7.851 271 HD1 PHE 35 HD1 PHE 35 5.456 -2.781 6.198 272 HD2 PHE 35 HD2 PHE 35 2.029 -0.507 5.081 273 HE1 PHE 35 HE1 PHE 35 6.156 -2.885 3.845 274 HE2 PHE 35 HE2 PHE 35 2.726 -0.616 2.724 275 HZ PHE 35 HZ PHE 35 4.789 -1.802 2.105 276 HA PRO 36 HA PRO 36 -1.777 -2.954 7.531 277 HB2 PRO 36 2HB PRO 36 -2.834 -0.660 8.556 278 HB3 PRO 36 3HB PRO 36 -2.332 -2.025 9.559 279 HG2 PRO 36 2HG PRO 36 -0.847 0.506 8.928 280 HG3 PRO 36 3HG PRO 36 -1.058 -0.306 10.494 281 HD2 PRO 36 2HD PRO 36 1.204 -0.574 9.055 282 HD3 PRO 36 3HD PRO 36 0.549 -1.912 10.022 283 H THR 37 H THR 37 -3.318 -2.302 6.012 284 HA THR 37 HA THR 37 -2.391 -0.909 3.742 285 HB THR 37 HB THR 37 -4.678 -1.045 2.870 286 HG1 THR 37 HG1 THR 37 -6.168 -2.254 4.436 287 HG21 THR 37 3HG2 THR 37 -3.255 -3.047 2.771 288 HG22 THR 37 1HG2 THR 37 -4.954 -3.478 2.968 289 HG23 THR 37 2HG2 THR 37 -3.861 -3.555 4.349 290 H ASP 38 H ASP 38 -4.197 0.196 6.547 291 HA ASP 38 HA ASP 38 -5.061 2.697 5.761 292 HB2 ASP 38 2HB ASP 38 -3.770 1.886 8.378 293 HB3 ASP 38 3HB ASP 38 -4.627 3.404 8.128 294 H LYS 39 H LYS 39 -1.847 1.889 7.058 295 HA LYS 39 HA LYS 39 -0.625 4.374 6.784 296 HB2 LYS 39 2HB LYS 39 0.386 2.579 8.051 297 HB3 LYS 39 3HB LYS 39 0.530 1.582 6.613 298 HG2 LYS 39 2HG LYS 39 2.224 2.996 5.704 299 HG3 LYS 39 3HG LYS 39 1.968 4.203 6.968 300 HD2 LYS 39 2HD LYS 39 2.906 1.375 7.487 301 HD3 LYS 39 3HD LYS 39 3.987 2.763 7.319 302 HE2 LYS 39 2HE LYS 39 2.875 3.842 9.230 303 HE3 LYS 39 3HE LYS 39 1.807 2.449 9.393 304 HZ1 LYS 39 3HZ LYS 39 3.720 1.080 9.885 305 HZ2 LYS 39 1HZ LYS 39 3.640 2.380 10.960 306 HZ3 LYS 39 2HZ LYS 39 4.759 2.398 9.693 307 H ILE 40 H ILE 40 -0.853 1.709 4.443 308 HA ILE 40 HA ILE 40 0.700 2.783 2.371 309 HB ILE 40 HB ILE 40 -1.747 1.008 2.151 310 HG12 ILE 40 2HG1 ILE 40 1.196 0.278 2.343 311 HG13 ILE 40 3HG1 ILE 40 0.008 0.088 3.629 312 HG21 ILE 40 1HG2 ILE 40 -0.819 0.296 -0.005 313 HG22 ILE 40 2HG2 ILE 40 0.485 1.471 0.165 314 HG23 ILE 40 3HG2 ILE 40 -1.183 2.022 0.006 315 HD11 ILE 40 3HD1 ILE 40 0.439 -2.024 2.543 316 HD12 ILE 40 1HD1 ILE 40 -0.002 -1.340 0.979 317 HD13 ILE 40 2HD1 ILE 40 -1.221 -1.511 2.240 318 H VAL 41 H VAL 41 -2.778 3.170 3.033 319 HA VAL 41 HA VAL 41 -3.211 4.774 0.667 320 HB VAL 41 HB VAL 41 -5.095 4.223 2.974 321 HG11 VAL 41 1HG1 VAL 41 -5.635 5.304 0.203 322 HG12 VAL 41 2HG1 VAL 41 -5.771 6.196 1.719 323 HG13 VAL 41 3HG1 VAL 41 -6.868 4.857 1.381 324 HG21 VAL 41 3HG2 VAL 41 -6.087 2.533 1.481 325 HG22 VAL 41 1HG2 VAL 41 -4.409 2.160 1.877 326 HG23 VAL 41 2HG2 VAL 41 -4.811 2.840 0.300 327 H ASN 42 H ASN 42 -2.623 5.410 4.072 328 HA ASN 42 HA ASN 42 -3.596 8.124 3.991 329 HB2 ASN 42 2HB ASN 42 -2.109 6.544 6.087 330 HB3 ASN 42 3HB ASN 42 -2.461 8.256 6.289 331 HD21 ASN 42 1HD2 ASN 42 -4.550 5.843 4.768 332 HD22 ASN 42 2HD2 ASN 42 -5.799 5.939 5.954 333 H LEU 43 H LEU 43 -0.346 6.633 4.057 334 HA LEU 43 HA LEU 43 1.065 9.076 4.256 335 HB2 LEU 43 2HB LEU 43 1.952 6.390 3.200 336 HB3 LEU 43 3HB LEU 43 3.034 7.746 3.459 337 HG LEU 43 HG LEU 43 1.488 6.238 5.579 338 HD11 LEU 43 1HD1 LEU 43 3.710 5.615 6.388 339 HD12 LEU 43 2HD1 LEU 43 4.450 6.482 5.042 340 HD13 LEU 43 3HD1 LEU 43 3.451 5.062 4.734 341 HD21 LEU 43 3HD2 LEU 43 3.288 8.647 5.875 342 HD22 LEU 43 1HD2 LEU 43 2.631 7.687 7.200 343 HD23 LEU 43 2HD2 LEU 43 1.547 8.602 6.154 344 HA PRO 44 HA PRO 44 0.800 10.571 0.044 345 HB2 PRO 44 2HB PRO 44 2.754 12.440 0.165 346 HB3 PRO 44 3HB PRO 44 1.187 12.660 0.951 347 HG2 PRO 44 2HG PRO 44 3.794 11.773 2.145 348 HG3 PRO 44 3HG PRO 44 2.623 12.950 2.772 349 HD2 PRO 44 2HD PRO 44 2.738 10.391 3.667 350 HD3 PRO 44 3HD PRO 44 1.219 11.307 3.592 351 H VAL 45 H VAL 45 2.382 10.931 -1.860 352 HA VAL 45 HA VAL 45 3.818 8.576 -2.349 353 HB VAL 45 HB VAL 45 2.966 10.080 -4.133 354 HG11 VAL 45 1HG1 VAL 45 3.656 12.222 -3.187 355 HG12 VAL 45 2HG1 VAL 45 4.271 12.027 -4.828 356 HG13 VAL 45 3HG1 VAL 45 5.349 11.806 -3.451 357 HG21 VAL 45 3HG2 VAL 45 4.859 9.773 -5.685 358 HG22 VAL 45 1HG2 VAL 45 4.565 8.340 -4.699 359 HG23 VAL 45 2HG2 VAL 45 5.910 9.415 -4.315 360 H ASP 46 H ASP 46 4.853 11.618 -0.969 361 HA ASP 46 HA ASP 46 7.615 11.438 -1.076 362 HB2 ASP 46 2HB ASP 46 5.992 12.430 1.288 363 HB3 ASP 46 3HB ASP 46 7.636 12.900 0.866 364 H ASP 47 H ASP 47 5.631 10.426 1.739 365 HA ASP 47 HA ASP 47 7.732 8.903 2.912 366 HB2 ASP 47 2HB ASP 47 4.756 8.962 3.447 367 HB3 ASP 47 3HB ASP 47 5.900 8.029 4.409 368 H PHE 48 H PHE 48 5.155 8.123 0.680 369 HA PHE 48 HA PHE 48 5.034 5.347 0.960 370 HB2 PHE 48 2HB PHE 48 3.441 6.726 -0.359 371 HB3 PHE 48 3HB PHE 48 4.684 6.966 -1.580 372 HD1 PHE 48 HD2 PHE 48 2.591 4.394 0.071 373 HD2 PHE 48 HD1 PHE 48 5.013 5.378 -3.294 374 HE1 PHE 48 HE2 PHE 48 1.832 2.353 -1.069 375 HE2 PHE 48 HE1 PHE 48 4.254 3.336 -4.440 376 HZ PHE 48 HZ PHE 48 2.663 1.819 -3.327 377 H ASN 49 H ASN 49 7.055 7.281 -1.267 378 HA ASN 49 HA ASN 49 8.464 5.176 -2.464 379 HB2 ASN 49 2HB ASN 49 9.344 8.015 -1.883 380 HB3 ASN 49 3HB ASN 49 10.230 6.901 -2.917 381 HD21 ASN 49 1HD2 ASN 49 9.008 9.447 -3.571 382 HD22 ASN 49 2HD2 ASN 49 7.885 9.127 -4.842 383 H GLU 50 H GLU 50 9.182 6.991 0.494 384 HA GLU 50 HA GLU 50 11.612 5.608 1.083 385 HB2 GLU 50 2HB GLU 50 9.780 7.238 2.856 386 HB3 GLU 50 3HB GLU 50 11.374 6.669 3.329 387 HG2 GLU 50 2HG GLU 50 10.811 8.539 1.032 388 HG3 GLU 50 3HG GLU 50 11.356 9.031 2.634 389 H LEU 51 H LEU 51 8.239 5.073 1.883 390 HA LEU 51 HA LEU 51 8.503 3.272 4.020 391 HB2 LEU 51 2HB LEU 51 6.391 4.366 3.305 392 HB3 LEU 51 3HB LEU 51 6.372 3.363 1.866 393 HG LEU 51 HG LEU 51 6.191 1.347 3.355 394 HD11 LEU 51 1HD1 LEU 51 7.124 2.298 5.394 395 HD12 LEU 51 2HD1 LEU 51 5.495 1.686 5.680 396 HD13 LEU 51 3HD1 LEU 51 5.768 3.422 5.512 397 HD21 LEU 51 3HD2 LEU 51 3.820 1.666 3.846 398 HD22 LEU 51 1HD2 LEU 51 4.230 2.323 2.261 399 HD23 LEU 51 2HD2 LEU 51 3.998 3.407 3.634 400 H LEU 52 H LEU 52 8.050 2.620 0.548 401 HA LEU 52 HA LEU 52 8.450 -0.169 0.661 402 HB2 LEU 52 2HB LEU 52 8.979 1.728 -1.636 403 HB3 LEU 52 3HB LEU 52 8.805 -0.014 -1.765 404 HG LEU 52 HG LEU 52 6.640 1.923 -0.923 405 HD11 LEU 52 1HD1 LEU 52 5.575 1.335 -3.040 406 HD12 LEU 52 2HD1 LEU 52 6.956 0.322 -3.465 407 HD13 LEU 52 3HD1 LEU 52 7.154 2.068 -3.306 408 HD21 LEU 52 3HD2 LEU 52 6.379 -0.201 0.221 409 HD22 LEU 52 1HD2 LEU 52 6.534 -1.070 -1.308 410 HD23 LEU 52 2HD2 LEU 52 5.145 -0.022 -1.024 411 H ALA 53 H ALA 53 10.694 2.438 0.847 412 HA ALA 53 HA ALA 53 13.001 0.833 0.078 413 HB1 ALA 53 3HB ALA 53 14.298 2.851 0.462 414 HB2 ALA 53 1HB ALA 53 12.892 3.645 1.177 415 HB3 ALA 53 2HB ALA 53 12.888 3.214 -0.532 416 H ARG 54 H ARG 54 11.451 1.974 3.012 417 HA ARG 54 HA ARG 54 13.625 1.401 4.776 418 HB2 ARG 54 2HB ARG 54 10.678 1.864 5.303 419 HB3 ARG 54 3HB ARG 54 11.866 1.638 6.579 420 HG2 ARG 54 2HG ARG 54 13.103 3.618 5.672 421 HG3 ARG 54 3HG ARG 54 11.748 3.885 4.575 422 HD2 ARG 54 2HD ARG 54 10.243 4.104 6.517 423 HD3 ARG 54 3HD ARG 54 11.619 3.871 7.595 424 HE ARG 54 HE ARG 54 10.869 6.283 6.280 425 HH11 ARG 54 1HH1 ARG 54 13.633 4.516 7.365 426 HH12 ARG 54 2HH1 ARG 54 14.591 5.937 7.582 427 HH21 ARG 54 1HH2 ARG 54 12.114 8.101 6.603 428 HH22 ARG 54 2HH2 ARG 54 13.742 7.931 7.156 429 H TYR 55 H TYR 55 10.681 -0.354 3.870 430 HA TYR 55 HA TYR 55 11.430 -2.651 5.488 431 HB2 TYR 55 2HB TYR 55 9.115 -2.181 3.594 432 HB3 TYR 55 3HB TYR 55 9.345 -3.661 4.520 433 HD1 TYR 55 HD2 TYR 55 8.708 -0.016 4.822 434 HD2 TYR 55 HD1 TYR 55 8.702 -3.785 6.809 435 HE1 TYR 55 HE2 TYR 55 7.527 0.989 6.724 436 HE2 TYR 55 HE1 TYR 55 7.519 -2.780 8.713 437 HH TYR 55 HH TYR 55 7.155 -0.599 9.715 438 HA PRO 56 HA PRO 56 13.739 -4.641 2.268 439 HB2 PRO 56 2HB PRO 56 13.794 -7.169 3.198 440 HB3 PRO 56 3HB PRO 56 14.636 -5.851 4.026 441 HG2 PRO 56 2HG PRO 56 11.967 -7.081 4.648 442 HG3 PRO 56 3HG PRO 56 13.294 -6.671 5.754 443 HD2 PRO 56 2HD PRO 56 11.113 -5.076 5.400 444 HD3 PRO 56 3HD PRO 56 12.718 -4.442 5.819 445 H LEU 57 H LEU 57 11.061 -4.225 1.444 446 HA LEU 57 HA LEU 57 9.717 -6.652 0.780 447 HB2 LEU 57 2HB LEU 57 9.324 -3.896 -0.421 448 HB3 LEU 57 3HB LEU 57 8.201 -5.241 -0.507 449 HG LEU 57 HG LEU 57 8.975 -3.762 2.015 450 HD11 LEU 57 1HD1 LEU 57 6.661 -2.945 1.970 451 HD12 LEU 57 2HD1 LEU 57 6.414 -3.741 0.414 452 HD13 LEU 57 3HD1 LEU 57 7.571 -2.415 0.553 453 HD21 LEU 57 3HD2 LEU 57 6.975 -5.989 1.592 454 HD22 LEU 57 1HD2 LEU 57 7.200 -5.079 3.086 455 HD23 LEU 57 2HD2 LEU 57 8.496 -6.107 2.480 456 H THR 58 H THR 58 9.497 -7.682 -1.204 457 HA THR 58 HA THR 58 11.613 -7.240 -3.178 458 HB THR 58 HB THR 58 10.902 -9.326 -4.197 459 HG1 THR 58 HG1 THR 58 9.097 -10.474 -3.146 460 HG21 THR 58 3HG2 THR 58 10.937 -9.590 -1.181 461 HG22 THR 58 1HG2 THR 58 12.356 -9.523 -2.229 462 HG23 THR 58 2HG2 THR 58 11.244 -10.889 -2.332 463 H GLU 59 H GLU 59 11.014 -7.213 -5.524 464 HA GLU 59 HA GLU 59 9.352 -5.147 -6.231 465 HB2 GLU 59 2HB GLU 59 10.106 -7.586 -7.849 466 HB3 GLU 59 3HB GLU 59 9.310 -6.175 -8.534 467 HG2 GLU 59 2HG GLU 59 11.226 -4.787 -7.874 468 HG3 GLU 59 3HG GLU 59 12.027 -6.220 -7.221 469 H SER 60 H SER 60 8.475 -8.591 -6.095 470 HA SER 60 HA SER 60 5.857 -8.429 -7.063 471 HB2 SER 60 2HB SER 60 6.911 -10.287 -4.908 472 HB3 SER 60 3HB SER 60 5.433 -10.528 -5.839 473 HG SER 60 HG SER 60 6.842 -11.662 -6.989 474 H GLN 61 H GLN 61 7.126 -7.739 -3.857 475 HA GLN 61 HA GLN 61 4.548 -7.442 -2.617 476 HB2 GLN 61 2HB GLN 61 7.318 -6.667 -1.678 477 HB3 GLN 61 3HB GLN 61 5.867 -6.554 -0.689 478 HG2 GLN 61 2HG GLN 61 5.555 -8.968 -0.840 479 HG3 GLN 61 3HG GLN 61 6.975 -9.100 -1.878 480 HE21 GLN 61 1HE2 GLN 61 5.836 -8.595 1.368 481 HE22 GLN 61 2HE2 GLN 61 7.370 -8.781 2.142 482 H LEU 62 H LEU 62 7.070 -5.130 -3.710 483 HA LEU 62 HA LEU 62 5.773 -2.765 -2.958 484 HB2 LEU 62 2HB LEU 62 7.658 -3.325 -5.243 485 HB3 LEU 62 3HB LEU 62 7.012 -1.723 -4.954 486 HG LEU 62 HG LEU 62 8.033 -1.952 -2.583 487 HD11 LEU 62 1HD1 LEU 62 9.616 -4.081 -4.009 488 HD12 LEU 62 2HD1 LEU 62 8.488 -4.341 -2.679 489 HD13 LEU 62 3HD1 LEU 62 9.961 -3.410 -2.411 490 HD21 LEU 62 3HD2 LEU 62 10.192 -1.133 -3.377 491 HD22 LEU 62 1HD2 LEU 62 8.868 -0.427 -4.305 492 HD23 LEU 62 2HD2 LEU 62 9.835 -1.729 -4.998 493 H ALA 63 H ALA 63 5.532 -4.568 -6.017 494 HA ALA 63 HA ALA 63 3.817 -2.910 -7.432 495 HB1 ALA 63 3HB ALA 63 4.887 -4.858 -8.423 496 HB2 ALA 63 1HB ALA 63 3.143 -4.926 -8.675 497 HB3 ALA 63 2HB ALA 63 3.896 -5.931 -7.436 498 H LEU 64 H LEU 64 2.968 -5.439 -5.068 499 HA LEU 64 HA LEU 64 0.166 -5.198 -5.321 500 HB2 LEU 64 2HB LEU 64 1.231 -7.125 -4.256 501 HB3 LEU 64 3HB LEU 64 1.801 -6.104 -2.947 502 HG LEU 64 HG LEU 64 -0.581 -5.627 -2.344 503 HD11 LEU 64 1HD1 LEU 64 -1.198 -7.795 -4.358 504 HD12 LEU 64 2HD1 LEU 64 -1.608 -6.086 -4.515 505 HD13 LEU 64 3HD1 LEU 64 -2.346 -7.055 -3.240 506 HD21 LEU 64 3HD2 LEU 64 0.687 -7.307 -1.133 507 HD22 LEU 64 1HD2 LEU 64 0.247 -8.529 -2.327 508 HD23 LEU 64 2HD2 LEU 64 -0.994 -7.809 -1.303 509 H VAL 65 H VAL 65 2.436 -3.686 -3.023 510 HA VAL 65 HA VAL 65 0.623 -2.272 -1.454 511 HB VAL 65 HB VAL 65 3.392 -1.367 -2.301 512 HG11 VAL 65 1HG1 VAL 65 1.749 -0.561 0.104 513 HG12 VAL 65 2HG1 VAL 65 2.075 0.444 -1.307 514 HG13 VAL 65 3HG1 VAL 65 3.399 -0.045 -0.250 515 HG21 VAL 65 3HG2 VAL 65 2.521 -3.010 0.088 516 HG22 VAL 65 1HG2 VAL 65 4.158 -2.425 -0.219 517 HG23 VAL 65 2HG2 VAL 65 3.422 -3.602 -1.307 518 H ARG 66 H ARG 66 1.994 -1.428 -4.604 519 HA ARG 66 HA ARG 66 0.908 1.163 -4.859 520 HB2 ARG 66 2HB ARG 66 1.484 -0.875 -7.026 521 HB3 ARG 66 3HB ARG 66 1.205 0.840 -7.290 522 HG2 ARG 66 2HG ARG 66 3.222 1.409 -6.105 523 HG3 ARG 66 3HG ARG 66 3.475 -0.277 -5.653 524 HD2 ARG 66 2HD ARG 66 3.718 -0.867 -8.024 525 HD3 ARG 66 3HD ARG 66 3.475 0.823 -8.464 526 HE ARG 66 HE ARG 66 5.552 1.229 -7.068 527 HH11 ARG 66 1HH1 ARG 66 4.983 -1.726 -8.736 528 HH12 ARG 66 2HH1 ARG 66 6.663 -2.069 -8.944 529 HH21 ARG 66 1HH2 ARG 66 7.713 0.800 -7.342 530 HH22 ARG 66 2HH2 ARG 66 8.202 -0.625 -8.198 531 H ASP 67 H ASP 67 -0.374 -1.996 -5.896 532 HA ASP 67 HA ASP 67 -2.776 -1.096 -7.044 533 HB2 ASP 67 2HB ASP 67 -1.816 -3.368 -7.343 534 HB3 ASP 67 3HB ASP 67 -2.227 -3.748 -5.674 535 H ILE 68 H ILE 68 -2.032 -2.103 -3.715 536 HA ILE 68 HA ILE 68 -4.620 -1.868 -2.632 537 HB ILE 68 HB ILE 68 -1.946 -1.462 -1.265 538 HG12 ILE 68 2HG1 ILE 68 -3.761 -3.892 -1.430 539 HG13 ILE 68 3HG1 ILE 68 -2.238 -3.688 -2.289 540 HG21 ILE 68 1HG2 ILE 68 -4.674 -1.929 -0.038 541 HG22 ILE 68 2HG2 ILE 68 -3.742 -0.433 0.037 542 HG23 ILE 68 3HG2 ILE 68 -3.146 -1.886 0.842 543 HD11 ILE 68 3HD1 ILE 68 -1.999 -5.125 -0.340 544 HD12 ILE 68 1HD1 ILE 68 -2.555 -3.816 0.702 545 HD13 ILE 68 2HD1 ILE 68 -1.035 -3.657 -0.178 546 H ARG 69 H ARG 69 -1.981 0.526 -2.822 547 HA ARG 69 HA ARG 69 -3.315 2.666 -1.586 548 HB2 ARG 69 2HB ARG 69 -0.946 2.776 -1.962 549 HB3 ARG 69 3HB ARG 69 -1.156 2.633 -3.703 550 HG2 ARG 69 2HG ARG 69 -2.191 4.840 -3.785 551 HG3 ARG 69 3HG ARG 69 -2.068 4.973 -2.028 552 HD2 ARG 69 2HD ARG 69 0.329 4.995 -2.131 553 HD3 ARG 69 3HD ARG 69 0.314 4.619 -3.853 554 HE ARG 69 HE ARG 69 -0.511 6.827 -4.278 555 HH11 ARG 69 1HH1 ARG 69 0.520 6.282 -1.033 556 HH12 ARG 69 2HH1 ARG 69 0.756 7.958 -0.705 557 HH21 ARG 69 1HH2 ARG 69 -0.195 8.966 -3.872 558 HH22 ARG 69 2HH2 ARG 69 0.355 9.481 -2.318 559 H ARG 70 H ARG 70 -3.192 1.742 -5.021 560 HA ARG 70 HA ARG 70 -4.686 3.896 -6.049 561 HB2 ARG 70 2HB ARG 70 -3.364 2.466 -7.503 562 HB3 ARG 70 3HB ARG 70 -4.347 1.071 -7.088 563 HG2 ARG 70 2HG ARG 70 -4.984 1.814 -9.264 564 HG3 ARG 70 3HG ARG 70 -6.299 2.199 -8.156 565 HD2 ARG 70 2HD ARG 70 -5.406 4.533 -8.017 566 HD3 ARG 70 3HD ARG 70 -4.227 4.105 -9.258 567 HE ARG 70 HE ARG 70 -7.073 3.743 -9.848 568 HH11 ARG 70 1HH1 ARG 70 -4.155 5.524 -10.414 569 HH12 ARG 70 2HH1 ARG 70 -4.788 6.276 -11.836 570 HH21 ARG 70 1HH2 ARG 70 -7.833 4.729 -11.663 571 HH22 ARG 70 2HH2 ARG 70 -6.826 5.839 -12.530 572 H ARG 71 H ARG 71 -5.776 0.575 -5.245 573 HA ARG 71 HA ARG 71 -8.518 1.121 -5.793 574 HB2 ARG 71 2HB ARG 71 -7.282 -1.110 -4.165 575 HB3 ARG 71 3HB ARG 71 -8.946 -1.067 -4.733 576 HG2 ARG 71 2HG ARG 71 -8.115 -1.051 -7.067 577 HG3 ARG 71 3HG ARG 71 -6.466 -1.188 -6.449 578 HD2 ARG 71 2HD ARG 71 -7.358 -3.369 -7.137 579 HD3 ARG 71 3HD ARG 71 -7.012 -3.327 -5.407 580 HE ARG 71 HE ARG 71 -9.727 -3.015 -6.524 581 HH11 ARG 71 1HH1 ARG 71 -7.570 -4.340 -4.176 582 HH12 ARG 71 2HH1 ARG 71 -8.845 -5.091 -3.285 583 HH21 ARG 71 1HH2 ARG 71 -11.342 -3.974 -5.359 584 HH22 ARG 71 2HH2 ARG 71 -10.955 -4.883 -3.939 585 H GLY 72 H GLY 72 -6.574 1.286 -2.864 586 HA2 GLY 72 2HA GLY 72 -8.702 1.492 -0.999 587 HA3 GLY 72 3HA GLY 72 -7.046 2.013 -0.736 588 H LYS 73 H LYS 73 -6.695 4.034 -2.520 589 HA LYS 73 HA LYS 73 -8.224 6.152 -1.342 590 HB2 LYS 73 2HB LYS 73 -5.848 6.433 -1.913 591 HB3 LYS 73 3HB LYS 73 -6.228 6.242 -3.620 592 HG2 LYS 73 2HG LYS 73 -7.307 8.312 -3.743 593 HG3 LYS 73 3HG LYS 73 -7.512 8.415 -1.995 594 HD2 LYS 73 2HD LYS 73 -4.846 8.547 -3.417 595 HD3 LYS 73 3HD LYS 73 -5.775 9.956 -2.895 596 HE2 LYS 73 2HE LYS 73 -5.672 9.077 -0.561 597 HE3 LYS 73 3HE LYS 73 -4.608 7.792 -1.136 598 HZ1 LYS 73 3HZ LYS 73 -3.038 9.500 -1.865 599 HZ2 LYS 73 1HZ LYS 73 -3.332 9.595 -0.201 600 HZ3 LYS 73 2HZ LYS 73 -4.052 10.705 -1.251 601 H ASN 74 H ASN 74 -8.551 4.266 -4.238 602 HA ASN 74 HA ASN 74 -10.138 5.895 -5.834 603 HB2 ASN 74 2HB ASN 74 -9.399 3.684 -6.569 604 HB3 ASN 74 3HB ASN 74 -10.406 2.914 -5.346 605 HD21 ASN 74 1HD2 ASN 74 -10.390 4.615 -8.384 606 HD22 ASN 74 2HD2 ASN 74 -12.015 4.232 -8.827 607 H LYS 75 H LYS 75 -10.972 4.151 -2.898 608 HA LYS 75 HA LYS 75 -13.767 4.351 -3.012 609 HB2 LYS 75 2HB LYS 75 -12.604 2.876 -1.455 610 HB3 LYS 75 3HB LYS 75 -11.931 4.261 -0.606 611 HG2 LYS 75 2HG LYS 75 -14.046 4.878 0.265 612 HG3 LYS 75 3HG LYS 75 -14.896 3.777 -0.819 613 HD2 LYS 75 2HD LYS 75 -14.782 2.899 1.478 614 HD3 LYS 75 3HD LYS 75 -13.939 1.857 0.332 615 HE2 LYS 75 2HE LYS 75 -12.607 2.067 2.329 616 HE3 LYS 75 3HE LYS 75 -11.798 2.913 1.013 617 HZ1 LYS 75 3HZ LYS 75 -13.398 4.152 3.185 618 HZ2 LYS 75 1HZ LYS 75 -12.733 4.997 1.881 619 HZ3 LYS 75 2HZ LYS 75 -11.723 4.231 2.995 620 H VAL 76 H VAL 76 -11.369 6.627 -1.629 621 HA VAL 76 HA VAL 76 -13.425 8.483 -0.807 622 HB VAL 76 HB VAL 76 -11.245 8.338 0.393 623 HG11 VAL 76 1HG1 VAL 76 -9.269 9.439 -0.540 624 HG12 VAL 76 2HG1 VAL 76 -10.122 9.690 -2.065 625 HG13 VAL 76 3HG1 VAL 76 -9.757 8.054 -1.516 626 HG21 VAL 76 3HG2 VAL 76 -12.664 10.308 0.636 627 HG22 VAL 76 1HG2 VAL 76 -11.888 11.058 -0.758 628 HG23 VAL 76 2HG2 VAL 76 -10.959 10.753 0.710 629 H ALA 77 H ALA 77 -11.412 8.031 -3.627 630 HA ALA 77 HA ALA 77 -11.831 10.600 -4.786 631 HB1 ALA 77 3HB ALA 77 -9.936 9.188 -5.413 632 HB2 ALA 77 1HB ALA 77 -10.907 9.616 -6.823 633 HB3 ALA 77 2HB ALA 77 -11.041 8.005 -6.116 634 H ALA 78 H ALA 78 -13.951 8.029 -4.343 635 HA ALA 78 HA ALA 78 -15.470 8.003 -6.705 636 HB1 ALA 78 3HB ALA 78 -15.656 6.300 -4.954 637 HB2 ALA 78 1HB ALA 78 -17.229 6.989 -5.354 638 HB3 ALA 78 2HB ALA 78 -16.398 7.484 -3.878 639 H GLN 79 H GLN 79 -15.459 10.275 -4.029 640 HA GLN 79 HA GLN 79 -17.954 11.518 -4.642 641 HB2 GLN 79 2HB GLN 79 -17.201 13.318 -3.137 642 HB3 GLN 79 3HB GLN 79 -16.972 11.728 -2.425 643 HG2 GLN 79 2HG GLN 79 -14.575 11.842 -3.109 644 HG3 GLN 79 3HG GLN 79 -14.856 13.499 -3.636 645 HE21 GLN 79 1HE2 GLN 79 -13.089 12.448 -1.547 646 HE22 GLN 79 2HE2 GLN 79 -13.555 13.257 -0.091 647 H ASN 80 H ASN 80 -14.581 12.345 -5.445 648 HA ASN 80 HA ASN 80 -15.423 14.531 -7.169 649 HB2 ASN 80 2HB ASN 80 -12.934 14.745 -7.582 650 HB3 ASN 80 3HB ASN 80 -13.440 14.945 -5.909 651 HD21 ASN 80 1HD2 ASN 80 -11.639 13.028 -8.124 652 HD22 ASN 80 2HD2 ASN 80 -10.952 11.961 -6.954 653 H TYR 81 H TYR 81 -15.693 11.413 -7.592 654 HA TYR 81 HA TYR 81 -14.494 10.891 -10.116 655 HB2 TYR 81 2HB TYR 81 -15.251 9.125 -8.565 656 HB3 TYR 81 3HB TYR 81 -16.918 9.630 -8.804 657 HD1 TYR 81 HD1 TYR 81 -13.989 8.090 -10.468 658 HD2 TYR 81 HD2 TYR 81 -18.170 8.868 -10.682 659 HE1 TYR 81 HE1 TYR 81 -14.183 6.507 -12.337 660 HE2 TYR 81 HE2 TYR 81 -18.372 7.290 -12.556 661 HH TYR 81 HH TYR 81 -15.891 5.117 -13.398 662 H ARG 82 H ARG 82 -17.401 12.538 -9.135 663 HA ARG 82 HA ARG 82 -18.707 12.420 -11.689 664 HB2 ARG 82 2HB ARG 82 -19.211 14.122 -9.241 665 HB3 ARG 82 3HB ARG 82 -20.206 14.194 -10.689 666 HG2 ARG 82 2HG ARG 82 -19.814 11.799 -8.897 667 HG3 ARG 82 3HG ARG 82 -21.267 12.788 -9.043 668 HD2 ARG 82 2HD ARG 82 -21.413 12.118 -11.444 669 HD3 ARG 82 3HD ARG 82 -20.053 11.028 -11.179 670 HE ARG 82 HE ARG 82 -22.570 10.751 -9.671 671 HH11 ARG 82 1HH1 ARG 82 -20.107 9.406 -11.665 672 HH12 ARG 82 2HH1 ARG 82 -20.753 7.809 -11.586 673 HH21 ARG 82 1HH2 ARG 82 -23.400 8.689 -9.581 674 HH22 ARG 82 2HH2 ARG 82 -22.604 7.412 -10.429 675 H LYS 83 H LYS 83 -17.737 13.319 -13.372 676 HA LYS 83 HA LYS 83 -17.269 16.194 -13.400 677 HB2 LYS 83 2HB LYS 83 -15.019 15.969 -14.380 678 HB3 LYS 83 3HB LYS 83 -15.076 15.282 -12.762 679 HG2 LYS 83 2HG LYS 83 -15.264 13.029 -13.739 680 HG3 LYS 83 3HG LYS 83 -15.161 13.733 -15.352 681 HD2 LYS 83 2HD LYS 83 -12.993 12.874 -14.715 682 HD3 LYS 83 3HD LYS 83 -12.923 14.636 -14.777 683 HE2 LYS 83 2HE LYS 83 -13.141 14.737 -12.342 684 HE3 LYS 83 3HE LYS 83 -13.257 12.980 -12.271 685 HZ1 LYS 83 3HZ LYS 83 -10.911 14.533 -13.224 686 HZ2 LYS 83 1HZ LYS 83 -11.021 12.845 -13.198 687 HZ3 LYS 83 2HZ LYS 83 -11.031 13.713 -11.750 688 H ARG 84 H ARG 84 -16.295 16.594 -15.885 689 HA ARG 84 HA ARG 84 -18.384 15.829 -17.644 690 HB2 ARG 84 2HB ARG 84 -15.647 16.947 -18.282 691 HB3 ARG 84 3HB ARG 84 -16.946 16.768 -19.451 692 HG2 ARG 84 2HG ARG 84 -18.313 18.265 -17.863 693 HG3 ARG 84 3HG ARG 84 -16.757 18.660 -17.127 694 HD2 ARG 84 2HD ARG 84 -17.339 20.307 -18.832 695 HD3 ARG 84 3HD ARG 84 -15.915 19.387 -19.329 696 HE ARG 84 HE ARG 84 -18.632 18.802 -20.328 697 HH11 ARG 84 1HH1 ARG 84 -15.258 19.271 -20.912 698 HH12 ARG 84 2HH1 ARG 84 -15.379 18.796 -22.569 699 HH21 ARG 84 1HH2 ARG 84 -18.756 18.162 -22.429 700 HH22 ARG 84 2HH2 ARG 84 -17.335 18.167 -23.416 701 H LYS 85 H LYS 85 -18.683 13.983 -18.751 702 HA LYS 85 HA LYS 85 -16.674 11.936 -18.836 703 HB2 LYS 85 2HB LYS 85 -19.055 11.329 -18.720 704 HB3 LYS 85 3HB LYS 85 -19.338 12.097 -20.277 705 HG2 LYS 85 2HG LYS 85 -17.758 10.470 -21.309 706 HG3 LYS 85 3HG LYS 85 -17.638 9.660 -19.747 707 HD2 LYS 85 2HD LYS 85 -20.026 9.163 -19.801 708 HD3 LYS 85 3HD LYS 85 -20.190 10.028 -21.331 709 HE2 LYS 85 2HE LYS 85 -18.614 8.411 -22.362 710 HE3 LYS 85 3HE LYS 85 -18.569 7.523 -20.839 711 HZ1 LYS 85 3HZ LYS 85 -20.111 6.522 -22.391 712 HZ2 LYS 85 1HZ LYS 85 -20.978 7.970 -22.515 713 HZ3 LYS 85 2HZ LYS 85 -20.945 7.126 -21.051 714 H LEU 86 H LEU 86 -14.947 13.014 -19.919 715 HA LEU 86 HA LEU 86 -15.166 14.015 -22.570 716 HB2 LEU 86 2HB LEU 86 -12.720 12.956 -21.142 717 HB3 LEU 86 3HB LEU 86 -12.714 13.935 -22.599 718 HG LEU 86 HG LEU 86 -13.620 14.814 -19.848 719 HD11 LEU 86 1HD1 LEU 86 -11.724 16.359 -19.990 720 HD12 LEU 86 2HD1 LEU 86 -11.261 15.649 -21.537 721 HD13 LEU 86 3HD1 LEU 86 -11.205 14.675 -20.067 722 HD21 LEU 86 3HD2 LEU 86 -13.936 17.031 -20.851 723 HD22 LEU 86 1HD2 LEU 86 -15.025 15.839 -21.557 724 HD23 LEU 86 2HD2 LEU 86 -13.592 16.360 -22.445 725 H GLU 87 H GLU 87 -14.159 13.059 -24.499 726 HA GLU 87 HA GLU 87 -15.124 10.432 -24.963 727 HB2 GLU 87 2HB GLU 87 -13.240 12.092 -26.651 728 HB3 GLU 87 3HB GLU 87 -14.079 10.641 -27.186 729 HG2 GLU 87 2HG GLU 87 -16.227 11.753 -26.898 730 HG3 GLU 87 3HG GLU 87 -15.409 13.199 -26.307 731 H THR 88 H THR 88 -14.057 9.189 -23.326 732 HA THR 88 HA THR 88 -11.208 8.634 -23.676 733 HB THR 88 HB THR 88 -13.153 7.293 -21.762 734 HG1 THR 88 HG1 THR 88 -11.365 9.207 -20.808 735 HG21 THR 88 3HG2 THR 88 -11.064 6.046 -22.054 736 HG22 THR 88 1HG2 THR 88 -11.121 6.781 -20.451 737 HG23 THR 88 2HG2 THR 88 -10.131 7.505 -21.718 738 H ILE 89 H ILE 89 -13.393 7.941 -25.680 739 HA ILE 89 HA ILE 89 -13.701 6.378 -27.297 740 HB ILE 89 HB ILE 89 -11.526 4.807 -25.894 741 HG12 ILE 89 2HG1 ILE 89 -11.392 6.609 -28.334 742 HG13 ILE 89 3HG1 ILE 89 -10.824 7.045 -26.727 743 HG21 ILE 89 1HG2 ILE 89 -12.721 4.441 -28.648 744 HG22 ILE 89 2HG2 ILE 89 -12.885 3.341 -27.280 745 HG23 ILE 89 3HG2 ILE 89 -11.307 3.585 -28.028 746 HD11 ILE 89 3HD1 ILE 89 -9.171 5.248 -26.838 747 HD12 ILE 89 1HD1 ILE 89 -8.985 6.408 -28.153 748 HD13 ILE 89 2HD1 ILE 89 -9.734 4.841 -28.459 749 H VAL 90 H VAL 90 -13.673 5.203 -23.978 750 HA VAL 90 HA VAL 90 -15.076 2.807 -24.315 751 HB VAL 90 HB VAL 90 -15.625 2.965 -21.932 752 HG11 VAL 90 1HG1 VAL 90 -13.401 2.205 -22.569 753 HG12 VAL 90 2HG1 VAL 90 -13.326 3.121 -21.065 754 HG13 VAL 90 3HG1 VAL 90 -12.813 3.869 -22.578 755 HG21 VAL 90 3HG2 VAL 90 -16.198 5.339 -21.801 756 HG22 VAL 90 1HG2 VAL 90 -14.515 5.778 -22.098 757 HG23 VAL 90 2HG2 VAL 90 -14.960 4.936 -20.611 758 H GLN 91 H GLN 91 -17.221 2.254 -24.223 759 HA GLN 91 HA GLN 91 -19.118 4.200 -25.145 760 HB2 GLN 91 2HB GLN 91 -20.705 2.213 -25.077 761 HB3 GLN 91 3HB GLN 91 -19.300 2.057 -26.122 762 HG2 GLN 91 2HG GLN 91 -18.177 0.703 -24.426 763 HG3 GLN 91 3HG GLN 91 -19.576 0.866 -23.367 764 HE21 GLN 91 1HE2 GLN 91 -19.909 -1.353 -23.306 765 HE22 GLN 91 2HE2 GLN 91 -20.534 -2.231 -24.655 Start of MODEL 17 1 H1 MET 1 1H MET 1 9.743 -43.926 15.424 2 H2 MET 1 2H MET 1 10.354 -44.299 13.895 3 H3 MET 1 3H MET 1 8.745 -43.816 14.063 4 HA MET 1 HA MET 1 10.141 -42.050 13.166 5 HB2 MET 1 2HB MET 1 9.392 -40.286 14.686 6 HB3 MET 1 3HB MET 1 8.129 -41.488 14.458 7 HG2 MET 1 2HG MET 1 8.642 -42.473 16.618 8 HG3 MET 1 3HG MET 1 9.963 -41.327 16.848 9 HE1 MET 1 3HE MET 1 7.273 -40.114 19.446 10 HE2 MET 1 1HE MET 1 8.948 -40.616 19.219 11 HE3 MET 1 2HE MET 1 7.642 -41.779 18.994 12 H GLY 2 H GLY 2 11.575 -40.172 13.973 13 HA2 GLY 2 2HA GLY 2 14.117 -41.185 14.621 14 HA3 GLY 2 3HA GLY 2 13.665 -39.491 14.634 15 H HIS 3 H HIS 3 15.330 -41.278 16.439 16 HA HIS 3 HA HIS 3 14.003 -41.614 18.912 17 HB2 HIS 3 2HB HIS 3 15.976 -42.895 18.382 18 HB3 HIS 3 3HB HIS 3 16.940 -41.434 18.214 19 HD1 HIS 3 HD1 HIS 3 17.973 -40.473 20.293 20 HD2 HIS 3 HD2 HIS 3 15.350 -43.591 21.095 21 HE1 HIS 3 HE1 HIS 3 18.291 -41.010 22.722 22 HE2 HIS 3 HE2 HIS 3 16.884 -43.056 23.106 23 H HIS 4 H HIS 4 13.723 -40.331 20.640 24 HA HIS 4 HA HIS 4 13.804 -38.599 22.092 25 HB2 HIS 4 2HB HIS 4 16.233 -39.185 22.053 26 HB3 HIS 4 3HB HIS 4 16.477 -37.943 20.830 27 HD1 HIS 4 HD1 HIS 4 17.160 -35.744 21.730 28 HD2 HIS 4 HD2 HIS 4 15.097 -37.982 24.559 29 HE1 HIS 4 HE1 HIS 4 17.214 -34.378 23.836 30 HE2 HIS 4 HE2 HIS 4 15.892 -35.712 25.508 31 H HIS 5 H HIS 5 12.906 -38.144 19.147 32 HA HIS 5 HA HIS 5 13.196 -35.271 18.881 33 HB2 HIS 5 2HB HIS 5 11.667 -37.333 17.295 34 HB3 HIS 5 3HB HIS 5 11.533 -35.606 16.969 35 HD1 HIS 5 HD1 HIS 5 12.683 -37.630 14.904 36 HD2 HIS 5 HD2 HIS 5 14.954 -35.292 17.476 37 HE1 HIS 5 HE1 HIS 5 14.922 -37.387 13.790 38 HE2 HIS 5 HE2 HIS 5 16.231 -35.859 15.298 39 H HIS 6 H HIS 6 12.120 -34.015 20.283 40 HA HIS 6 HA HIS 6 9.716 -34.797 21.581 41 HB2 HIS 6 2HB HIS 6 9.682 -32.410 22.406 42 HB3 HIS 6 3HB HIS 6 11.148 -33.311 22.764 43 HD1 HIS 6 HD1 HIS 6 13.331 -32.439 21.796 44 HD2 HIS 6 HD2 HIS 6 10.009 -30.318 20.483 45 HE1 HIS 6 HE1 HIS 6 14.243 -30.405 20.648 46 HE2 HIS 6 HE2 HIS 6 12.225 -29.231 19.720 47 H HIS 7 H HIS 7 8.293 -35.328 19.855 48 HA HIS 7 HA HIS 7 6.750 -33.009 18.959 49 HB2 HIS 7 2HB HIS 7 8.059 -35.000 17.148 50 HB3 HIS 7 3HB HIS 7 6.482 -34.366 16.694 51 HD1 HIS 7 HD1 HIS 7 10.075 -33.426 16.914 52 HD2 HIS 7 HD2 HIS 7 6.435 -31.597 16.083 53 HE1 HIS 7 HE1 HIS 7 10.650 -31.209 15.897 54 HE2 HIS 7 HE2 HIS 7 8.440 -30.166 15.306 55 H HIS 8 H HIS 8 4.781 -33.283 19.679 56 HA HIS 8 HA HIS 8 3.317 -35.727 19.128 57 HB2 HIS 8 2HB HIS 8 2.534 -36.057 21.418 58 HB3 HIS 8 3HB HIS 8 4.287 -36.165 21.366 59 HD1 HIS 8 HD1 HIS 8 1.569 -34.500 23.097 60 HD2 HIS 8 HD2 HIS 8 5.579 -33.706 22.352 61 HE1 HIS 8 HE1 HIS 8 2.227 -32.740 24.761 62 HE2 HIS 8 HE2 HIS 8 4.687 -32.381 24.383 63 H SER 9 H SER 9 1.223 -35.287 18.633 64 HA SER 9 HA SER 9 0.535 -32.493 18.348 65 HB2 SER 9 2HB SER 9 -0.985 -34.988 17.539 66 HB3 SER 9 3HB SER 9 -1.403 -33.339 17.070 67 HG SER 9 HG SER 9 -0.182 -34.408 15.458 68 H HIS 10 H HIS 10 -0.689 -31.319 19.676 69 HA HIS 10 HA HIS 10 -2.846 -32.563 21.216 70 HB2 HIS 10 2HB HIS 10 -0.975 -32.689 22.752 71 HB3 HIS 10 3HB HIS 10 -0.578 -30.998 22.473 72 HD1 HIS 10 HD1 HIS 10 -3.423 -33.062 23.915 73 HD2 HIS 10 HD2 HIS 10 -1.703 -29.298 24.280 74 HE1 HIS 10 HE1 HIS 10 -4.630 -31.955 25.813 75 HE2 HIS 10 HE2 HIS 10 -3.434 -29.765 26.142 76 H MET 11 H MET 11 -4.626 -31.367 20.913 77 HA MET 11 HA MET 11 -4.499 -28.640 19.948 78 HB2 MET 11 2HB MET 11 -6.868 -30.378 20.704 79 HB3 MET 11 3HB MET 11 -6.987 -28.799 19.939 80 HG2 MET 11 2HG MET 11 -5.626 -31.206 18.741 81 HG3 MET 11 3HG MET 11 -7.257 -30.657 18.354 82 HE1 MET 11 3HE MET 11 -4.869 -31.154 16.213 83 HE2 MET 11 1HE MET 11 -5.135 -29.778 15.140 84 HE3 MET 11 2HE MET 11 -6.510 -30.690 15.764 85 H ALA 12 H ALA 12 -4.326 -26.904 21.255 86 HA ALA 12 HA ALA 12 -5.439 -27.073 23.988 87 HB1 ALA 12 3HB ALA 12 -3.516 -25.866 24.838 88 HB2 ALA 12 1HB ALA 12 -2.821 -25.788 23.220 89 HB3 ALA 12 2HB ALA 12 -3.005 -27.345 24.026 90 H LYS 13 H LYS 13 -7.197 -25.802 23.838 91 HA LYS 13 HA LYS 13 -8.468 -23.940 23.831 92 HB2 LYS 13 2HB LYS 13 -5.786 -22.663 24.350 93 HB3 LYS 13 3HB LYS 13 -7.308 -21.788 24.442 94 HG2 LYS 13 2HG LYS 13 -8.080 -23.348 26.188 95 HG3 LYS 13 3HG LYS 13 -6.515 -24.163 26.124 96 HD2 LYS 13 2HD LYS 13 -5.388 -22.159 26.874 97 HD3 LYS 13 3HD LYS 13 -6.887 -21.231 26.774 98 HE2 LYS 13 2HE LYS 13 -6.352 -23.546 28.645 99 HE3 LYS 13 3HE LYS 13 -6.380 -21.840 29.087 100 HZ1 LYS 13 3HZ LYS 13 -8.715 -21.764 28.403 101 HZ2 LYS 13 1HZ LYS 13 -8.461 -22.878 29.649 102 HZ3 LYS 13 2HZ LYS 13 -8.678 -23.420 28.065 103 HA PRO 14 HA PRO 14 -8.034 -22.494 19.529 104 HB2 PRO 14 2HB PRO 14 -10.890 -22.805 19.293 105 HB3 PRO 14 3HB PRO 14 -9.621 -23.764 18.529 106 HG2 PRO 14 2HG PRO 14 -11.340 -24.721 20.458 107 HG3 PRO 14 3HG PRO 14 -9.743 -25.408 20.110 108 HD2 PRO 14 2HD PRO 14 -10.561 -23.523 22.297 109 HD3 PRO 14 3HD PRO 14 -9.457 -24.917 22.362 110 H THR 15 H THR 15 -7.806 -20.315 19.486 111 HA THR 15 HA THR 15 -10.089 -18.642 20.353 112 HB THR 15 HB THR 15 -8.341 -18.348 22.005 113 HG1 THR 15 HG1 THR 15 -7.835 -16.005 21.447 114 HG21 THR 15 3HG2 THR 15 -6.416 -19.058 20.651 115 HG22 THR 15 1HG2 THR 15 -6.121 -17.506 21.432 116 HG23 THR 15 2HG2 THR 15 -6.526 -17.564 19.717 117 H ALA 16 H ALA 16 -9.819 -16.311 19.406 118 HA ALA 16 HA ALA 16 -9.386 -16.671 16.514 119 HB1 ALA 16 3HB ALA 16 -11.678 -16.147 17.192 120 HB2 ALA 16 1HB ALA 16 -10.991 -14.873 16.183 121 HB3 ALA 16 2HB ALA 16 -11.116 -14.645 17.929 122 H ARG 17 H ARG 17 -7.462 -15.910 15.867 123 HA ARG 17 HA ARG 17 -6.447 -13.391 16.996 124 HB2 ARG 17 2HB ARG 17 -4.337 -14.003 15.713 125 HB3 ARG 17 3HB ARG 17 -4.761 -15.027 17.075 126 HG2 ARG 17 2HG ARG 17 -5.741 -16.663 15.491 127 HG3 ARG 17 3HG ARG 17 -5.186 -15.649 14.156 128 HD2 ARG 17 2HD ARG 17 -2.912 -16.020 14.689 129 HD3 ARG 17 3HD ARG 17 -3.312 -16.688 16.272 130 HE ARG 17 HE ARG 17 -4.353 -18.184 14.039 131 HH11 ARG 17 1HH1 ARG 17 -1.671 -17.724 16.152 132 HH12 ARG 17 2HH1 ARG 17 -1.101 -19.343 15.959 133 HH21 ARG 17 1HH2 ARG 17 -3.622 -20.264 13.809 134 HH22 ARG 17 2HH2 ARG 17 -2.206 -20.779 14.670 135 H GLY 18 H GLY 18 -8.019 -14.571 14.193 136 HA2 GLY 18 2HA GLY 18 -9.154 -12.765 12.982 137 HA3 GLY 18 3HA GLY 18 -7.639 -11.889 12.996 138 H GLU 19 H GLU 19 -9.597 -13.068 10.911 139 HA GLU 19 HA GLU 19 -7.595 -14.307 9.135 140 HB2 GLU 19 2HB GLU 19 -9.704 -15.525 9.325 141 HB3 GLU 19 3HB GLU 19 -10.610 -14.079 8.911 142 HG2 GLU 19 2HG GLU 19 -10.593 -15.462 6.992 143 HG3 GLU 19 3HG GLU 19 -9.498 -14.123 6.666 144 H ALA 20 H ALA 20 -8.933 -11.355 9.908 145 HA ALA 20 HA ALA 20 -8.754 -9.263 9.055 146 HB1 ALA 20 3HB ALA 20 -6.595 -9.953 8.091 147 HB2 ALA 20 1HB ALA 20 -7.447 -8.786 7.083 148 HB3 ALA 20 2HB ALA 20 -7.434 -10.491 6.637 149 H GLY 21 H GLY 21 -10.166 -7.933 7.962 150 HA2 GLY 21 2HA GLY 21 -12.310 -9.357 6.528 151 HA3 GLY 21 3HA GLY 21 -12.470 -7.815 7.349 152 H SER 22 H SER 22 -10.519 -6.267 6.262 153 HA SER 22 HA SER 22 -11.703 -5.471 3.825 154 HB2 SER 22 2HB SER 22 -8.943 -4.688 4.809 155 HB3 SER 22 3HB SER 22 -9.973 -3.783 3.701 156 HG SER 22 HG SER 22 -10.018 -3.927 6.449 157 H ARG 23 H ARG 23 -11.012 -5.620 1.670 158 HA ARG 23 HA ARG 23 -9.828 -8.054 0.895 159 HB2 ARG 23 2HB ARG 23 -10.156 -5.540 -0.763 160 HB3 ARG 23 3HB ARG 23 -9.853 -7.154 -1.393 161 HG2 ARG 23 2HG ARG 23 -12.016 -7.892 -0.412 162 HG3 ARG 23 3HG ARG 23 -12.321 -6.222 0.072 163 HD2 ARG 23 2HD ARG 23 -12.126 -5.556 -2.321 164 HD3 ARG 23 3HD ARG 23 -11.972 -7.259 -2.745 165 HE ARG 23 HE ARG 23 -14.369 -6.207 -1.385 166 HH11 ARG 23 1HH1 ARG 23 -12.909 -8.097 -3.872 167 HH12 ARG 23 2HH1 ARG 23 -14.426 -8.547 -4.566 168 HH21 ARG 23 1HH2 ARG 23 -16.303 -6.774 -2.292 169 HH22 ARG 23 2HH2 ARG 23 -16.332 -7.790 -3.693 170 H ASP 24 H ASP 24 -8.467 -4.799 1.190 171 HA ASP 24 HA ASP 24 -5.912 -5.340 0.144 172 HB2 ASP 24 2HB ASP 24 -5.214 -3.368 1.638 173 HB3 ASP 24 3HB ASP 24 -6.451 -3.064 0.423 174 H GLU 25 H GLU 25 -7.071 -5.510 3.528 175 HA GLU 25 HA GLU 25 -4.795 -6.472 4.778 176 HB2 GLU 25 2HB GLU 25 -7.686 -7.231 5.263 177 HB3 GLU 25 3HB GLU 25 -6.364 -7.676 6.333 178 HG2 GLU 25 2HG GLU 25 -5.914 -5.290 6.736 179 HG3 GLU 25 3HG GLU 25 -7.283 -4.874 5.700 180 H ARG 26 H ARG 26 -7.325 -8.361 3.126 181 HA ARG 26 HA ARG 26 -6.301 -10.923 3.580 182 HB2 ARG 26 2HB ARG 26 -7.868 -9.951 1.180 183 HB3 ARG 26 3HB ARG 26 -7.670 -11.631 1.661 184 HG2 ARG 26 2HG ARG 26 -9.080 -9.489 3.246 185 HG3 ARG 26 3HG ARG 26 -9.850 -10.775 2.318 186 HD2 ARG 26 2HD ARG 26 -8.041 -11.160 4.710 187 HD3 ARG 26 3HD ARG 26 -9.800 -11.281 4.722 188 HE ARG 26 HE ARG 26 -7.931 -13.255 3.789 189 HH11 ARG 26 1HH1 ARG 26 -11.171 -12.110 3.568 190 HH12 ARG 26 2HH1 ARG 26 -11.785 -13.618 3.002 191 HH21 ARG 26 1HH2 ARG 26 -8.734 -15.196 3.120 192 HH22 ARG 26 2HH2 ARG 26 -10.424 -15.360 2.783 193 H ARG 27 H ARG 27 -5.379 -8.518 1.209 194 HA ARG 27 HA ARG 27 -3.679 -10.285 -0.312 195 HB2 ARG 27 2HB ARG 27 -3.782 -7.261 -0.186 196 HB3 ARG 27 3HB ARG 27 -2.843 -8.190 -1.345 197 HG2 ARG 27 2HG ARG 27 -4.891 -9.100 -2.305 198 HG3 ARG 27 3HG ARG 27 -5.852 -8.218 -1.113 199 HD2 ARG 27 2HD ARG 27 -4.980 -6.093 -1.985 200 HD3 ARG 27 3HD ARG 27 -4.026 -6.976 -3.176 201 HE ARG 27 HE ARG 27 -6.858 -7.503 -3.303 202 HH11 ARG 27 1HH1 ARG 27 -4.260 -5.539 -4.367 203 HH12 ARG 27 2HH1 ARG 27 -5.094 -4.965 -5.761 204 HH21 ARG 27 1HH2 ARG 27 -7.950 -6.775 -5.104 205 HH22 ARG 27 2HH2 ARG 27 -7.167 -5.676 -6.193 206 H ALA 28 H ALA 28 -3.228 -7.878 2.249 207 HA ALA 28 HA ALA 28 -0.461 -7.714 2.331 208 HB1 ALA 28 3HB ALA 28 -0.706 -6.933 4.618 209 HB2 ALA 28 1HB ALA 28 -2.339 -7.597 4.694 210 HB3 ALA 28 2HB ALA 28 -1.981 -6.256 3.603 211 H LEU 29 H LEU 29 -2.543 -9.924 4.224 212 HA LEU 29 HA LEU 29 -0.389 -11.287 5.476 213 HB2 LEU 29 2HB LEU 29 -2.115 -12.957 6.122 214 HB3 LEU 29 3HB LEU 29 -2.532 -11.302 6.516 215 HG LEU 29 HG LEU 29 -3.860 -11.391 4.243 216 HD11 LEU 29 1HD1 LEU 29 -4.827 -13.589 3.779 217 HD12 LEU 29 2HD1 LEU 29 -3.744 -14.317 4.965 218 HD13 LEU 29 3HD1 LEU 29 -3.085 -13.572 3.508 219 HD21 LEU 29 3HD2 LEU 29 -5.855 -12.117 5.456 220 HD22 LEU 29 1HD2 LEU 29 -4.866 -11.023 6.424 221 HD23 LEU 29 2HD2 LEU 29 -4.839 -12.758 6.750 222 H ALA 30 H ALA 30 -1.836 -11.641 2.355 223 HA ALA 30 HA ALA 30 -0.961 -14.318 1.840 224 HB1 ALA 30 3HB ALA 30 -1.570 -13.866 -0.476 225 HB2 ALA 30 1HB ALA 30 -1.722 -12.146 -0.115 226 HB3 ALA 30 2HB ALA 30 -2.830 -13.302 0.623 227 H MET 31 H MET 31 0.380 -11.106 1.161 228 HA MET 31 HA MET 31 2.840 -12.368 0.128 229 HB2 MET 31 2HB MET 31 1.832 -9.531 -0.166 230 HB3 MET 31 3HB MET 31 3.365 -10.120 -0.796 231 HG2 MET 31 2HG MET 31 0.632 -11.111 -1.595 232 HG3 MET 31 3HG MET 31 1.652 -10.018 -2.529 233 HE1 MET 31 3HE MET 31 3.954 -10.743 -3.678 234 HE2 MET 31 1HE MET 31 4.677 -12.337 -3.462 235 HE3 MET 31 2HE MET 31 4.546 -11.237 -2.090 236 H LYS 32 H LYS 32 1.836 -11.616 3.021 237 HA LYS 32 HA LYS 32 2.873 -11.285 5.012 238 HB2 LYS 32 2HB LYS 32 5.346 -11.730 3.326 239 HB3 LYS 32 3HB LYS 32 5.342 -11.679 5.087 240 HG2 LYS 32 2HG LYS 32 3.868 -13.611 5.167 241 HG3 LYS 32 3HG LYS 32 3.793 -13.644 3.405 242 HD2 LYS 32 2HD LYS 32 6.192 -14.106 3.297 243 HD3 LYS 32 3HD LYS 32 6.298 -14.024 5.057 244 HE2 LYS 32 2HE LYS 32 6.216 -16.346 4.275 245 HE3 LYS 32 3HE LYS 32 4.802 -15.946 5.253 246 HZ1 LYS 32 3HZ LYS 32 3.555 -15.611 3.185 247 HZ2 LYS 32 1HZ LYS 32 4.146 -17.187 3.317 248 HZ3 LYS 32 2HZ LYS 32 4.907 -16.087 2.288 249 H ILE 33 H ILE 33 2.188 -8.912 3.590 250 HA ILE 33 HA ILE 33 4.225 -6.948 3.709 251 HB ILE 33 HB ILE 33 1.228 -6.603 3.957 252 HG12 ILE 33 2HG1 ILE 33 1.843 -7.703 1.866 253 HG13 ILE 33 3HG1 ILE 33 1.334 -6.050 1.540 254 HG21 ILE 33 1HG2 ILE 33 3.362 -4.564 3.314 255 HG22 ILE 33 2HG2 ILE 33 2.384 -4.632 4.782 256 HG23 ILE 33 3HG2 ILE 33 1.621 -4.287 3.229 257 HD11 ILE 33 3HD1 ILE 33 4.180 -7.026 1.668 258 HD12 ILE 33 1HD1 ILE 33 3.670 -5.371 1.334 259 HD13 ILE 33 2HD1 ILE 33 3.265 -6.663 0.204 260 HA PRO 34 HA PRO 34 4.293 -6.859 8.217 261 HB2 PRO 34 2HB PRO 34 6.670 -5.699 8.530 262 HB3 PRO 34 3HB PRO 34 6.538 -7.319 7.834 263 HG2 PRO 34 2HG PRO 34 6.955 -4.694 6.450 264 HG3 PRO 34 3HG PRO 34 7.733 -6.258 6.144 265 HD2 PRO 34 2HD PRO 34 5.582 -5.245 4.707 266 HD3 PRO 34 3HD PRO 34 6.035 -6.960 4.787 267 H PHE 35 H PHE 35 3.078 -4.477 6.541 268 HA PHE 35 HA PHE 35 3.028 -2.668 8.819 269 HB2 PHE 35 2HB PHE 35 3.440 -0.656 7.371 270 HB3 PHE 35 3HB PHE 35 4.843 -1.684 7.617 271 HD1 PHE 35 HD1 PHE 35 5.667 -3.115 5.777 272 HD2 PHE 35 HD2 PHE 35 2.526 -0.301 5.191 273 HE1 PHE 35 HE1 PHE 35 6.024 -3.227 3.351 274 HE2 PHE 35 HE2 PHE 35 2.881 -0.416 2.760 275 HZ PHE 35 HZ PHE 35 4.630 -1.879 1.833 276 HA PRO 36 HA PRO 36 -1.224 -2.285 8.129 277 HB2 PRO 36 2HB PRO 36 -1.702 0.413 8.480 278 HB3 PRO 36 3HB PRO 36 -1.444 -0.745 9.786 279 HG2 PRO 36 2HG PRO 36 0.508 1.133 8.507 280 HG3 PRO 36 3HG PRO 36 0.274 0.758 10.227 281 HD2 PRO 36 2HD PRO 36 2.284 -0.333 8.847 282 HD3 PRO 36 3HD PRO 36 1.396 -1.275 10.064 283 H THR 37 H THR 37 -2.636 -2.191 6.495 284 HA THR 37 HA THR 37 -1.874 -1.294 3.911 285 HB THR 37 HB THR 37 -4.180 -1.889 3.235 286 HG1 THR 37 HG1 THR 37 -5.609 -2.677 4.860 287 HG21 THR 37 3HG2 THR 37 -2.513 -3.675 3.388 288 HG22 THR 37 1HG2 THR 37 -4.104 -4.269 3.864 289 HG23 THR 37 2HG2 THR 37 -2.895 -3.903 5.097 290 H ASP 38 H ASP 38 -4.075 0.027 6.355 291 HA ASP 38 HA ASP 38 -5.218 2.108 4.906 292 HB2 ASP 38 2HB ASP 38 -5.507 3.220 7.143 293 HB3 ASP 38 3HB ASP 38 -6.067 1.551 7.080 294 H LYS 39 H LYS 39 -2.093 1.961 6.539 295 HA LYS 39 HA LYS 39 -1.337 4.656 6.246 296 HB2 LYS 39 2HB LYS 39 -0.164 3.040 7.704 297 HB3 LYS 39 3HB LYS 39 0.424 2.186 6.284 298 HG2 LYS 39 2HG LYS 39 1.871 3.927 5.686 299 HG3 LYS 39 3HG LYS 39 1.048 5.091 6.724 300 HD2 LYS 39 2HD LYS 39 2.671 2.721 7.676 301 HD3 LYS 39 3HD LYS 39 3.211 4.402 7.665 302 HE2 LYS 39 2HE LYS 39 1.309 4.964 9.169 303 HE3 LYS 39 3HE LYS 39 0.913 3.250 9.249 304 HZ1 LYS 39 3HZ LYS 39 3.421 4.529 10.184 305 HZ2 LYS 39 1HZ LYS 39 3.136 2.862 10.176 306 HZ3 LYS 39 2HZ LYS 39 2.199 3.873 11.152 307 H ILE 40 H ILE 40 -0.941 1.866 4.095 308 HA ILE 40 HA ILE 40 0.534 3.070 2.036 309 HB ILE 40 HB ILE 40 -1.609 0.945 1.735 310 HG12 ILE 40 2HG1 ILE 40 1.354 0.577 2.272 311 HG13 ILE 40 3HG1 ILE 40 0.085 0.375 3.476 312 HG21 ILE 40 1HG2 ILE 40 -0.328 0.237 -0.231 313 HG22 ILE 40 2HG2 ILE 40 0.796 1.574 0.019 314 HG23 ILE 40 3HG2 ILE 40 -0.887 1.903 -0.391 315 HD11 ILE 40 3HD1 ILE 40 0.811 -1.766 2.621 316 HD12 ILE 40 1HD1 ILE 40 0.438 -1.262 0.974 317 HD13 ILE 40 2HD1 ILE 40 -0.861 -1.455 2.151 318 H VAL 41 H VAL 41 -2.907 3.091 2.740 319 HA VAL 41 HA VAL 41 -3.697 4.321 0.255 320 HB VAL 41 HB VAL 41 -5.284 4.057 2.821 321 HG11 VAL 41 1HG1 VAL 41 -6.245 5.664 1.265 322 HG12 VAL 41 2HG1 VAL 41 -7.252 4.220 1.361 323 HG13 VAL 41 3HG1 VAL 41 -6.195 4.467 -0.031 324 HG21 VAL 41 3HG2 VAL 41 -4.514 1.867 2.130 325 HG22 VAL 41 1HG2 VAL 41 -5.099 2.144 0.488 326 HG23 VAL 41 2HG2 VAL 41 -6.244 2.018 1.825 327 H ASN 42 H ASN 42 -3.111 5.434 3.555 328 HA ASN 42 HA ASN 42 -4.289 8.033 2.995 329 HB2 ASN 42 2HB ASN 42 -3.284 6.735 5.525 330 HB3 ASN 42 3HB ASN 42 -3.826 8.412 5.467 331 HD21 ASN 42 1HD2 ASN 42 -4.918 5.889 6.741 332 HD22 ASN 42 2HD2 ASN 42 -6.572 5.876 6.254 333 H LEU 43 H LEU 43 -1.081 6.708 3.099 334 HA LEU 43 HA LEU 43 0.174 9.301 3.439 335 HB2 LEU 43 2HB LEU 43 1.275 6.603 2.652 336 HB3 LEU 43 3HB LEU 43 2.264 8.050 2.692 337 HG LEU 43 HG LEU 43 0.886 6.737 5.041 338 HD11 LEU 43 1HD1 LEU 43 3.168 6.395 5.857 339 HD12 LEU 43 2HD1 LEU 43 3.807 7.111 4.377 340 HD13 LEU 43 3HD1 LEU 43 2.905 5.596 4.308 341 HD21 LEU 43 3HD2 LEU 43 2.502 9.292 4.965 342 HD22 LEU 43 1HD2 LEU 43 1.961 8.462 6.426 343 HD23 LEU 43 2HD2 LEU 43 0.779 9.150 5.313 344 HA PRO 44 HA PRO 44 -0.126 10.479 -0.879 345 HB2 PRO 44 2HB PRO 44 1.780 12.428 -0.883 346 HB3 PRO 44 3HB PRO 44 0.163 12.658 -0.207 347 HG2 PRO 44 2HG PRO 44 2.731 12.017 1.206 348 HG3 PRO 44 3HG PRO 44 1.468 13.180 1.656 349 HD2 PRO 44 2HD PRO 44 1.661 10.738 2.807 350 HD3 PRO 44 3HD PRO 44 0.098 11.537 2.544 351 H VAL 45 H VAL 45 1.144 10.356 -2.825 352 HA VAL 45 HA VAL 45 2.797 8.172 -3.068 353 HB VAL 45 HB VAL 45 1.723 9.251 -4.983 354 HG11 VAL 45 1HG1 VAL 45 2.673 11.266 -6.007 355 HG12 VAL 45 2HG1 VAL 45 3.805 11.414 -4.661 356 HG13 VAL 45 3HG1 VAL 45 2.070 11.584 -4.380 357 HG21 VAL 45 3HG2 VAL 45 4.724 9.071 -5.297 358 HG22 VAL 45 1HG2 VAL 45 3.545 9.026 -6.608 359 HG23 VAL 45 2HG2 VAL 45 3.582 7.731 -5.412 360 H ASP 46 H ASP 46 3.729 11.456 -2.272 361 HA ASP 46 HA ASP 46 6.485 11.327 -2.646 362 HB2 ASP 46 2HB ASP 46 5.005 12.841 -0.479 363 HB3 ASP 46 3HB ASP 46 6.608 13.214 -1.113 364 H ASP 47 H ASP 47 4.704 10.794 0.419 365 HA ASP 47 HA ASP 47 6.975 9.726 1.795 366 HB2 ASP 47 2HB ASP 47 4.018 9.687 2.428 367 HB3 ASP 47 3HB ASP 47 5.253 9.052 3.512 368 H PHE 48 H PHE 48 4.379 8.349 -0.104 369 HA PHE 48 HA PHE 48 4.456 5.676 0.617 370 HB2 PHE 48 2HB PHE 48 2.812 6.572 -0.941 371 HB3 PHE 48 3HB PHE 48 4.066 6.893 -2.129 372 HD1 PHE 48 HD2 PHE 48 2.447 4.127 -0.250 373 HD2 PHE 48 HD1 PHE 48 4.578 5.296 -3.749 374 HE1 PHE 48 HE2 PHE 48 2.072 1.904 -1.223 375 HE2 PHE 48 HE1 PHE 48 4.204 3.069 -4.725 376 HZ PHE 48 HZ PHE 48 2.949 1.370 -3.459 377 H ASN 49 H ASN 49 6.510 7.347 -1.762 378 HA ASN 49 HA ASN 49 8.065 5.170 -2.581 379 HB2 ASN 49 2HB ASN 49 8.776 8.102 -2.345 380 HB3 ASN 49 3HB ASN 49 9.777 6.914 -3.174 381 HD21 ASN 49 1HD2 ASN 49 8.410 9.299 -4.188 382 HD22 ASN 49 2HD2 ASN 49 7.395 8.743 -5.468 383 H GLU 50 H GLU 50 8.498 7.357 0.186 384 HA GLU 50 HA GLU 50 10.976 6.265 1.066 385 HB2 GLU 50 2HB GLU 50 8.845 7.837 2.533 386 HB3 GLU 50 3HB GLU 50 10.401 7.413 3.237 387 HG2 GLU 50 2HG GLU 50 11.558 8.714 1.557 388 HG3 GLU 50 3HG GLU 50 10.034 9.067 0.744 389 H LEU 51 H LEU 51 7.601 5.591 1.890 390 HA LEU 51 HA LEU 51 7.936 3.809 4.002 391 HB2 LEU 51 2HB LEU 51 5.772 4.721 3.215 392 HB3 LEU 51 3HB LEU 51 5.869 3.694 1.798 393 HG LEU 51 HG LEU 51 5.765 1.691 3.273 394 HD11 LEU 51 1HD1 LEU 51 5.112 1.958 5.616 395 HD12 LEU 51 2HD1 LEU 51 5.295 3.708 5.472 396 HD13 LEU 51 3HD1 LEU 51 6.701 2.655 5.304 397 HD21 LEU 51 3HD2 LEU 51 3.389 1.896 3.847 398 HD22 LEU 51 1HD2 LEU 51 3.727 2.554 2.246 399 HD23 LEU 51 2HD2 LEU 51 3.478 3.642 3.611 400 H LEU 52 H LEU 52 7.834 3.110 0.514 401 HA LEU 52 HA LEU 52 8.260 0.334 0.651 402 HB2 LEU 52 2HB LEU 52 9.043 2.302 -1.506 403 HB3 LEU 52 3HB LEU 52 9.064 0.560 -1.700 404 HG LEU 52 HG LEU 52 6.601 2.232 -1.164 405 HD11 LEU 52 1HD1 LEU 52 7.531 0.848 -3.684 406 HD12 LEU 52 2HD1 LEU 52 7.462 2.591 -3.410 407 HD13 LEU 52 3HD1 LEU 52 5.973 1.648 -3.463 408 HD21 LEU 52 3HD2 LEU 52 6.400 0.011 -0.187 409 HD22 LEU 52 1HD2 LEU 52 6.891 -0.726 -1.714 410 HD23 LEU 52 2HD2 LEU 52 5.366 0.154 -1.608 411 H ALA 53 H ALA 53 10.522 3.005 0.834 412 HA ALA 53 HA ALA 53 12.872 1.366 0.459 413 HB1 ALA 53 3HB ALA 53 12.601 4.237 1.358 414 HB2 ALA 53 1HB ALA 53 12.884 3.677 -0.292 415 HB3 ALA 53 2HB ALA 53 14.117 3.432 0.946 416 H ARG 54 H ARG 54 10.907 2.245 3.148 417 HA ARG 54 HA ARG 54 13.001 1.936 5.131 418 HB2 ARG 54 2HB ARG 54 10.020 2.360 5.389 419 HB3 ARG 54 3HB ARG 54 11.108 2.228 6.764 420 HG2 ARG 54 2HG ARG 54 12.321 4.206 6.022 421 HG3 ARG 54 3HG ARG 54 11.275 4.332 4.606 422 HD2 ARG 54 2HD ARG 54 10.576 5.896 6.336 423 HD3 ARG 54 3HD ARG 54 9.337 4.673 6.069 424 HE ARG 54 HE ARG 54 10.531 3.583 8.119 425 HH11 ARG 54 1HH1 ARG 54 9.941 6.942 7.628 426 HH12 ARG 54 2HH1 ARG 54 9.775 7.270 9.318 427 HH21 ARG 54 1HH2 ARG 54 10.318 4.001 10.268 428 HH22 ARG 54 2HH2 ARG 54 9.989 5.613 10.807 429 H TYR 55 H TYR 55 10.256 0.001 3.972 430 HA TYR 55 HA TYR 55 10.882 -2.084 5.937 431 HB2 TYR 55 2HB TYR 55 8.527 -1.656 4.102 432 HB3 TYR 55 3HB TYR 55 8.763 -3.160 4.989 433 HD1 TYR 55 HD2 TYR 55 8.025 0.441 5.314 434 HD2 TYR 55 HD1 TYR 55 8.433 -3.265 7.378 435 HE1 TYR 55 HE2 TYR 55 6.961 1.430 7.298 436 HE2 TYR 55 HE1 TYR 55 7.370 -2.282 9.363 437 HH TYR 55 HH TYR 55 5.723 0.676 9.297 438 HA PRO 56 HA PRO 56 13.202 -4.451 2.955 439 HB2 PRO 56 2HB PRO 56 12.694 -6.749 4.744 440 HB3 PRO 56 3HB PRO 56 14.227 -6.011 4.275 441 HG2 PRO 56 2HG PRO 56 13.225 -5.731 6.752 442 HG3 PRO 56 3HG PRO 56 14.134 -4.429 5.962 443 HD2 PRO 56 2HD PRO 56 11.168 -4.739 6.302 444 HD3 PRO 56 3HD PRO 56 12.173 -3.281 6.467 445 H LEU 57 H LEU 57 11.599 -4.417 1.295 446 HA LEU 57 HA LEU 57 9.779 -6.746 1.247 447 HB2 LEU 57 2HB LEU 57 9.560 -4.134 -0.261 448 HB3 LEU 57 3HB LEU 57 8.423 -5.466 -0.359 449 HG LEU 57 HG LEU 57 8.971 -3.812 2.115 450 HD11 LEU 57 1HD1 LEU 57 6.598 -3.803 0.246 451 HD12 LEU 57 2HD1 LEU 57 7.816 -2.534 0.381 452 HD13 LEU 57 3HD1 LEU 57 6.748 -2.878 1.741 453 HD21 LEU 57 3HD2 LEU 57 7.000 -4.966 3.040 454 HD22 LEU 57 1HD2 LEU 57 8.318 -6.085 2.694 455 HD23 LEU 57 2HD2 LEU 57 6.933 -5.991 1.606 456 H THR 58 H THR 58 9.675 -8.051 -0.586 457 HA THR 58 HA THR 58 11.857 -7.905 -2.507 458 HB THR 58 HB THR 58 10.975 -9.960 -3.450 459 HG1 THR 58 HG1 THR 58 8.984 -10.808 -2.287 460 HG21 THR 58 3HG2 THR 58 10.786 -10.041 -0.429 461 HG22 THR 58 1HG2 THR 58 12.269 -10.185 -1.374 462 HG23 THR 58 2HG2 THR 58 11.028 -11.431 -1.487 463 H GLU 59 H GLU 59 11.428 -7.905 -4.870 464 HA GLU 59 HA GLU 59 9.995 -5.721 -5.753 465 HB2 GLU 59 2HB GLU 59 10.670 -8.237 -7.294 466 HB3 GLU 59 3HB GLU 59 10.128 -6.733 -8.031 467 HG2 GLU 59 2HG GLU 59 12.108 -5.586 -7.177 468 HG3 GLU 59 3HG GLU 59 12.648 -7.076 -6.402 469 H SER 60 H SER 60 8.862 -9.058 -5.463 470 HA SER 60 HA SER 60 6.341 -8.754 -6.687 471 HB2 SER 60 2HB SER 60 7.103 -10.649 -4.442 472 HB3 SER 60 3HB SER 60 5.708 -10.810 -5.507 473 HG SER 60 HG SER 60 7.851 -10.568 -7.052 474 H GLN 61 H GLN 61 7.428 -8.152 -3.377 475 HA GLN 61 HA GLN 61 4.804 -7.734 -2.309 476 HB2 GLN 61 2HB GLN 61 7.501 -6.911 -1.206 477 HB3 GLN 61 3HB GLN 61 5.981 -6.842 -0.322 478 HG2 GLN 61 2HG GLN 61 5.761 -9.291 -0.562 479 HG3 GLN 61 3HG GLN 61 7.330 -9.329 -1.366 480 HE21 GLN 61 1HE2 GLN 61 5.672 -8.971 1.651 481 HE22 GLN 61 2HE2 GLN 61 7.072 -9.044 2.658 482 H LEU 62 H LEU 62 7.402 -5.482 -3.372 483 HA LEU 62 HA LEU 62 6.103 -3.079 -2.791 484 HB2 LEU 62 2HB LEU 62 8.006 -3.761 -5.035 485 HB3 LEU 62 3HB LEU 62 7.356 -2.147 -4.827 486 HG LEU 62 HG LEU 62 8.357 -2.289 -2.430 487 HD11 LEU 62 1HD1 LEU 62 9.965 -4.429 -3.809 488 HD12 LEU 62 2HD1 LEU 62 8.885 -4.656 -2.432 489 HD13 LEU 62 3HD1 LEU 62 10.351 -3.690 -2.254 490 HD21 LEU 62 3HD2 LEU 62 10.519 -1.463 -3.256 491 HD22 LEU 62 1HD2 LEU 62 9.163 -0.766 -4.142 492 HD23 LEU 62 2HD2 LEU 62 10.122 -2.056 -4.868 493 H ALA 63 H ALA 63 5.825 -5.113 -5.692 494 HA ALA 63 HA ALA 63 4.141 -3.560 -7.244 495 HB1 ALA 63 3HB ALA 63 5.155 -5.676 -7.977 496 HB2 ALA 63 1HB ALA 63 3.423 -5.625 -8.309 497 HB3 ALA 63 2HB ALA 63 4.034 -6.564 -6.945 498 H LEU 64 H LEU 64 3.192 -5.908 -4.726 499 HA LEU 64 HA LEU 64 0.413 -5.521 -4.915 500 HB2 LEU 64 2HB LEU 64 1.338 -7.426 -3.730 501 HB3 LEU 64 3HB LEU 64 2.088 -6.369 -2.545 502 HG LEU 64 HG LEU 64 -0.175 -5.632 -1.816 503 HD11 LEU 64 1HD1 LEU 64 -1.159 -7.813 -3.655 504 HD12 LEU 64 2HD1 LEU 64 -1.384 -6.080 -3.890 505 HD13 LEU 64 3HD1 LEU 64 -2.139 -6.887 -2.518 506 HD21 LEU 64 3HD2 LEU 64 -0.733 -7.648 -0.585 507 HD22 LEU 64 1HD2 LEU 64 1.013 -7.412 -0.627 508 HD23 LEU 64 2HD2 LEU 64 0.261 -8.614 -1.677 509 H VAL 65 H VAL 65 2.776 -4.009 -2.698 510 HA VAL 65 HA VAL 65 1.013 -2.399 -1.257 511 HB VAL 65 HB VAL 65 3.861 -1.720 -2.033 512 HG11 VAL 65 1HG1 VAL 65 2.180 -0.733 0.276 513 HG12 VAL 65 2HG1 VAL 65 2.668 0.205 -1.135 514 HG13 VAL 65 3HG1 VAL 65 3.885 -0.362 0.007 515 HG21 VAL 65 3HG2 VAL 65 2.819 -3.239 0.361 516 HG22 VAL 65 1HG2 VAL 65 4.494 -2.756 0.102 517 HG23 VAL 65 2HG2 VAL 65 3.731 -3.915 -0.986 518 H ARG 66 H ARG 66 2.661 -1.732 -4.325 519 HA ARG 66 HA ARG 66 1.725 0.887 -4.748 520 HB2 ARG 66 2HB ARG 66 2.475 -1.291 -6.713 521 HB3 ARG 66 3HB ARG 66 2.157 0.376 -7.179 522 HG2 ARG 66 2HG ARG 66 4.057 1.171 -6.014 523 HG3 ARG 66 3HG ARG 66 4.264 -0.357 -5.154 524 HD2 ARG 66 2HD ARG 66 5.918 -0.072 -6.951 525 HD3 ARG 66 3HD ARG 66 4.882 -1.471 -7.221 526 HE ARG 66 HE ARG 66 3.704 0.596 -8.602 527 HH11 ARG 66 1HH1 ARG 66 6.767 -1.001 -8.651 528 HH12 ARG 66 2HH1 ARG 66 7.016 -0.697 -10.331 529 HH21 ARG 66 1HH2 ARG 66 4.050 0.973 -10.765 530 HH22 ARG 66 2HH2 ARG 66 5.510 0.418 -11.506 531 H ASP 67 H ASP 67 0.342 -2.246 -5.712 532 HA ASP 67 HA ASP 67 -1.883 -1.236 -7.114 533 HB2 ASP 67 2HB ASP 67 -0.992 -3.593 -7.200 534 HB3 ASP 67 3HB ASP 67 -1.738 -3.875 -5.632 535 H ILE 68 H ILE 68 -1.553 -2.284 -3.726 536 HA ILE 68 HA ILE 68 -4.188 -1.941 -2.884 537 HB ILE 68 HB ILE 68 -1.622 -1.592 -1.313 538 HG12 ILE 68 2HG1 ILE 68 -3.548 -3.927 -1.537 539 HG13 ILE 68 3HG1 ILE 68 -1.941 -3.841 -2.251 540 HG21 ILE 68 1HG2 ILE 68 -4.450 -1.848 -0.271 541 HG22 ILE 68 2HG2 ILE 68 -3.424 -0.418 -0.169 542 HG23 ILE 68 3HG2 ILE 68 -2.987 -1.879 0.716 543 HD11 ILE 68 3HD1 ILE 68 -0.952 -3.764 -0.022 544 HD12 ILE 68 1HD1 ILE 68 -1.947 -5.203 -0.242 545 HD13 ILE 68 2HD1 ILE 68 -2.560 -3.841 0.697 546 H ARG 69 H ARG 69 -1.515 0.426 -2.904 547 HA ARG 69 HA ARG 69 -2.815 2.601 -1.757 548 HB2 ARG 69 2HB ARG 69 -0.431 2.659 -2.287 549 HB3 ARG 69 3HB ARG 69 -0.786 2.590 -4.010 550 HG2 ARG 69 2HG ARG 69 -1.958 4.772 -3.802 551 HG3 ARG 69 3HG ARG 69 -1.430 4.847 -2.119 552 HD2 ARG 69 2HD ARG 69 0.036 6.155 -3.576 553 HD3 ARG 69 3HD ARG 69 0.901 4.807 -2.837 554 HE ARG 69 HE ARG 69 0.574 3.638 -5.022 555 HH11 ARG 69 1HH1 ARG 69 0.498 7.080 -4.897 556 HH12 ARG 69 2HH1 ARG 69 1.069 7.257 -6.518 557 HH21 ARG 69 1HH2 ARG 69 1.310 3.891 -7.115 558 HH22 ARG 69 2HH2 ARG 69 1.556 5.486 -7.735 559 H ARG 70 H ARG 70 -2.682 1.684 -5.203 560 HA ARG 70 HA ARG 70 -4.233 3.824 -6.171 561 HB2 ARG 70 2HB ARG 70 -2.789 2.459 -7.607 562 HB3 ARG 70 3HB ARG 70 -3.833 1.069 -7.356 563 HG2 ARG 70 2HG ARG 70 -4.233 2.057 -9.530 564 HG3 ARG 70 3HG ARG 70 -5.661 2.232 -8.511 565 HD2 ARG 70 2HD ARG 70 -3.624 4.437 -8.734 566 HD3 ARG 70 3HD ARG 70 -4.889 4.244 -9.947 567 HE ARG 70 HE ARG 70 -6.269 4.268 -7.611 568 HH11 ARG 70 1HH1 ARG 70 -3.941 6.420 -8.987 569 HH12 ARG 70 2HH1 ARG 70 -4.641 7.811 -8.241 570 HH21 ARG 70 1HH2 ARG 70 -7.164 6.050 -6.708 571 HH22 ARG 70 2HH2 ARG 70 -6.453 7.610 -6.967 572 H ARG 71 H ARG 71 -5.229 0.461 -5.396 573 HA ARG 71 HA ARG 71 -7.959 0.793 -6.040 574 HB2 ARG 71 2HB ARG 71 -6.633 -1.089 -4.073 575 HB3 ARG 71 3HB ARG 71 -8.331 -1.177 -4.513 576 HG2 ARG 71 2HG ARG 71 -5.977 -1.577 -6.353 577 HG3 ARG 71 3HG ARG 71 -7.057 -2.825 -5.733 578 HD2 ARG 71 2HD ARG 71 -8.068 -2.524 -7.742 579 HD3 ARG 71 3HD ARG 71 -8.874 -1.210 -6.891 580 HE ARG 71 HE ARG 71 -6.410 -0.653 -8.372 581 HH11 ARG 71 1HH1 ARG 71 -9.804 -0.194 -7.997 582 HH12 ARG 71 2HH1 ARG 71 -9.881 0.988 -9.253 583 HH21 ARG 71 1HH2 ARG 71 -6.524 0.853 -9.970 584 HH22 ARG 71 2HH2 ARG 71 -8.041 1.596 -10.345 585 H GLY 72 H GLY 72 -6.336 0.941 -2.858 586 HA2 GLY 72 2HA GLY 72 -8.599 1.562 -1.326 587 HA3 GLY 72 3HA GLY 72 -6.942 1.914 -0.871 588 H LYS 73 H LYS 73 -6.314 3.724 -2.962 589 HA LYS 73 HA LYS 73 -7.209 6.148 -1.863 590 HB2 LYS 73 2HB LYS 73 -5.094 5.801 -3.174 591 HB3 LYS 73 3HB LYS 73 -6.065 5.735 -4.635 592 HG2 LYS 73 2HG LYS 73 -5.415 7.919 -4.704 593 HG3 LYS 73 3HG LYS 73 -6.911 8.090 -3.792 594 HD2 LYS 73 2HD LYS 73 -4.166 7.857 -2.543 595 HD3 LYS 73 3HD LYS 73 -4.985 9.383 -2.862 596 HE2 LYS 73 2HE LYS 73 -6.800 8.721 -1.353 597 HE3 LYS 73 3HE LYS 73 -5.988 7.185 -1.046 598 HZ1 LYS 73 3HZ LYS 73 -4.911 9.877 -0.390 599 HZ2 LYS 73 1HZ LYS 73 -4.119 8.406 -0.111 600 HZ3 LYS 73 2HZ LYS 73 -5.551 8.767 0.715 601 H ASN 74 H ASN 74 -8.438 4.259 -4.575 602 HA ASN 74 HA ASN 74 -10.138 6.193 -5.712 603 HB2 ASN 74 2HB ASN 74 -10.293 3.178 -5.666 604 HB3 ASN 74 3HB ASN 74 -11.445 4.172 -6.554 605 HD21 ASN 74 1HD2 ASN 74 -10.791 3.316 -8.521 606 HD22 ASN 74 2HD2 ASN 74 -9.286 3.740 -9.252 607 H LYS 75 H LYS 75 -10.411 4.541 -2.723 608 HA LYS 75 HA LYS 75 -13.195 4.674 -2.280 609 HB2 LYS 75 2HB LYS 75 -11.602 3.456 -0.826 610 HB3 LYS 75 3HB LYS 75 -10.942 4.989 -0.273 611 HG2 LYS 75 2HG LYS 75 -13.176 5.558 0.652 612 HG3 LYS 75 3HG LYS 75 -13.737 3.953 0.186 613 HD2 LYS 75 2HD LYS 75 -11.464 4.522 2.100 614 HD3 LYS 75 3HD LYS 75 -13.106 4.094 2.575 615 HE2 LYS 75 2HE LYS 75 -11.925 2.081 2.729 616 HE3 LYS 75 3HE LYS 75 -12.754 1.966 1.181 617 HZ1 LYS 75 3HZ LYS 75 -10.686 2.644 0.093 618 HZ2 LYS 75 1HZ LYS 75 -10.481 1.225 0.988 619 HZ3 LYS 75 2HZ LYS 75 -9.906 2.694 1.589 620 H VAL 76 H VAL 76 -10.671 7.093 -2.125 621 HA VAL 76 HA VAL 76 -12.319 9.123 -0.893 622 HB VAL 76 HB VAL 76 -9.636 9.397 -2.270 623 HG11 VAL 76 1HG1 VAL 76 -11.050 11.254 -0.350 624 HG12 VAL 76 2HG1 VAL 76 -10.771 11.535 -2.069 625 HG13 VAL 76 3HG1 VAL 76 -9.406 11.463 -0.954 626 HG21 VAL 76 3HG2 VAL 76 -8.673 9.320 0.002 627 HG22 VAL 76 1HG2 VAL 76 -9.473 7.813 -0.441 628 HG23 VAL 76 2HG2 VAL 76 -10.269 8.947 0.652 629 H ALA 77 H ALA 77 -11.641 8.048 -4.112 630 HA ALA 77 HA ALA 77 -11.872 10.280 -5.687 631 HB1 ALA 77 3HB ALA 77 -13.046 7.570 -6.298 632 HB2 ALA 77 1HB ALA 77 -11.363 8.037 -6.536 633 HB3 ALA 77 2HB ALA 77 -12.638 8.817 -7.474 634 H ALA 78 H ALA 78 -14.575 8.412 -4.294 635 HA ALA 78 HA ALA 78 -16.678 9.731 -5.603 636 HB1 ALA 78 3HB ALA 78 -16.957 7.638 -4.344 637 HB2 ALA 78 1HB ALA 78 -18.119 8.869 -3.843 638 HB3 ALA 78 2HB ALA 78 -16.713 8.519 -2.836 639 H GLN 79 H GLN 79 -15.091 10.495 -2.508 640 HA GLN 79 HA GLN 79 -16.790 12.810 -2.074 641 HB2 GLN 79 2HB GLN 79 -15.609 13.064 0.028 642 HB3 GLN 79 3HB GLN 79 -16.049 11.378 -0.191 643 HG2 GLN 79 2HG GLN 79 -13.738 10.925 -0.970 644 HG3 GLN 79 3HG GLN 79 -13.324 12.597 -0.599 645 HE21 GLN 79 1HE2 GLN 79 -11.815 12.047 0.959 646 HE22 GLN 79 2HE2 GLN 79 -12.248 11.361 2.482 647 H ASN 80 H ASN 80 -13.906 12.185 -3.743 648 HA ASN 80 HA ASN 80 -13.003 14.989 -3.574 649 HB2 ASN 80 2HB ASN 80 -11.365 13.113 -3.123 650 HB3 ASN 80 3HB ASN 80 -11.548 12.630 -4.806 651 HD21 ASN 80 1HD2 ASN 80 -9.379 13.004 -5.246 652 HD22 ASN 80 2HD2 ASN 80 -8.724 14.595 -5.365 653 H TYR 81 H TYR 81 -15.145 13.375 -5.304 654 HA TYR 81 HA TYR 81 -14.519 13.413 -7.980 655 HB2 TYR 81 2HB TYR 81 -16.542 12.368 -7.188 656 HB3 TYR 81 3HB TYR 81 -17.184 13.907 -6.630 657 HD1 TYR 81 HD1 TYR 81 -16.382 11.903 -9.645 658 HD2 TYR 81 HD2 TYR 81 -18.324 15.383 -8.132 659 HE1 TYR 81 HE1 TYR 81 -17.493 12.223 -11.814 660 HE2 TYR 81 HE2 TYR 81 -19.438 15.708 -10.298 661 HH TYR 81 HH TYR 81 -19.588 13.345 -12.663 662 H ARG 82 H ARG 82 -15.721 16.153 -6.050 663 HA ARG 82 HA ARG 82 -16.360 17.765 -8.308 664 HB2 ARG 82 2HB ARG 82 -15.900 18.597 -5.435 665 HB3 ARG 82 3HB ARG 82 -16.622 19.603 -6.682 666 HG2 ARG 82 2HG ARG 82 -17.756 16.998 -5.666 667 HG3 ARG 82 3HG ARG 82 -18.302 18.607 -5.200 668 HD2 ARG 82 2HD ARG 82 -19.032 19.073 -7.449 669 HD3 ARG 82 3HD ARG 82 -18.336 17.559 -8.031 670 HE ARG 82 HE ARG 82 -20.142 16.887 -6.051 671 HH11 ARG 82 1HH1 ARG 82 -20.290 18.456 -9.119 672 HH12 ARG 82 2HH1 ARG 82 -21.891 17.895 -9.446 673 HH21 ARG 82 1HH2 ARG 82 -22.167 16.162 -6.490 674 HH22 ARG 82 2HH2 ARG 82 -22.944 16.625 -7.967 675 H LYS 83 H LYS 83 -14.469 17.660 -9.594 676 HA LYS 83 HA LYS 83 -12.268 19.420 -8.750 677 HB2 LYS 83 2HB LYS 83 -12.569 17.574 -11.136 678 HB3 LYS 83 3HB LYS 83 -11.199 18.653 -10.906 679 HG2 LYS 83 2HG LYS 83 -11.998 16.426 -9.031 680 HG3 LYS 83 3HG LYS 83 -10.704 16.350 -10.231 681 HD2 LYS 83 2HD LYS 83 -9.573 18.233 -9.087 682 HD3 LYS 83 3HD LYS 83 -10.843 18.224 -7.862 683 HE2 LYS 83 2HE LYS 83 -8.883 17.028 -7.062 684 HE3 LYS 83 3HE LYS 83 -10.241 15.922 -7.266 685 HZ1 LYS 83 3HZ LYS 83 -9.296 15.215 -9.381 686 HZ2 LYS 83 1HZ LYS 83 -8.199 14.975 -8.119 687 HZ3 LYS 83 2HZ LYS 83 -7.993 16.274 -9.177 688 H ARG 84 H ARG 84 -12.542 21.529 -9.189 689 HA ARG 84 HA ARG 84 -13.873 22.273 -11.722 690 HB2 ARG 84 2HB ARG 84 -15.327 22.636 -9.705 691 HB3 ARG 84 3HB ARG 84 -14.137 23.789 -9.118 692 HG2 ARG 84 2HG ARG 84 -15.948 24.975 -10.171 693 HG3 ARG 84 3HG ARG 84 -14.488 25.151 -11.148 694 HD2 ARG 84 2HD ARG 84 -15.306 23.310 -12.610 695 HD3 ARG 84 3HD ARG 84 -16.802 23.278 -11.675 696 HE ARG 84 HE ARG 84 -15.903 25.643 -13.191 697 HH11 ARG 84 1HH1 ARG 84 -18.376 23.461 -12.204 698 HH12 ARG 84 2HH1 ARG 84 -19.608 24.297 -13.079 699 HH21 ARG 84 1HH2 ARG 84 -17.463 26.690 -14.317 700 HH22 ARG 84 2HH2 ARG 84 -19.092 26.112 -14.281 701 H LYS 85 H LYS 85 -11.436 22.155 -12.218 702 HA LYS 85 HA LYS 85 -10.379 24.887 -12.062 703 HB2 LYS 85 2HB LYS 85 -8.765 22.408 -11.418 704 HB3 LYS 85 3HB LYS 85 -8.079 24.008 -11.658 705 HG2 LYS 85 2HG LYS 85 -9.359 24.832 -9.723 706 HG3 LYS 85 3HG LYS 85 -9.999 23.205 -9.469 707 HD2 LYS 85 2HD LYS 85 -7.732 22.362 -9.098 708 HD3 LYS 85 3HD LYS 85 -7.073 23.972 -9.406 709 HE2 LYS 85 2HE LYS 85 -8.313 24.830 -7.458 710 HE3 LYS 85 3HE LYS 85 -8.931 23.207 -7.144 711 HZ1 LYS 85 3HZ LYS 85 -6.668 22.453 -6.797 712 HZ2 LYS 85 1HZ LYS 85 -7.026 23.731 -5.751 713 HZ3 LYS 85 2HZ LYS 85 -6.066 23.998 -7.118 714 H LEU 86 H LEU 86 -10.640 25.354 -14.211 715 HA LEU 86 HA LEU 86 -9.578 23.509 -16.223 716 HB2 LEU 86 2HB LEU 86 -11.785 24.596 -16.584 717 HB3 LEU 86 3HB LEU 86 -10.992 26.159 -16.590 718 HG LEU 86 HG LEU 86 -9.730 25.504 -18.617 719 HD11 LEU 86 1HD1 LEU 86 -11.403 22.992 -18.482 720 HD12 LEU 86 2HD1 LEU 86 -9.650 23.103 -18.303 721 HD13 LEU 86 3HD1 LEU 86 -10.403 23.482 -19.852 722 HD21 LEU 86 3HD2 LEU 86 -11.829 26.726 -18.845 723 HD22 LEU 86 1HD2 LEU 86 -12.727 25.207 -18.866 724 HD23 LEU 86 2HD2 LEU 86 -11.615 25.593 -20.181 725 H GLU 87 H GLU 87 -7.375 23.777 -15.488 726 HA GLU 87 HA GLU 87 -6.101 26.267 -16.424 727 HB2 GLU 87 2HB GLU 87 -6.398 26.071 -13.891 728 HB3 GLU 87 3HB GLU 87 -5.246 24.749 -13.948 729 HG2 GLU 87 2HG GLU 87 -4.575 27.474 -15.016 730 HG3 GLU 87 3HG GLU 87 -4.406 27.083 -13.308 731 H THR 88 H THR 88 -5.146 25.554 -18.255 732 HA THR 88 HA THR 88 -3.963 24.304 -19.755 733 HB THR 88 HB THR 88 -1.720 23.510 -19.008 734 HG1 THR 88 HG1 THR 88 -2.238 24.652 -16.478 735 HG21 THR 88 3HG2 THR 88 -2.023 25.823 -19.738 736 HG22 THR 88 1HG2 THR 88 -0.832 25.729 -18.438 737 HG23 THR 88 2HG2 THR 88 -2.467 26.293 -18.098 738 H ILE 89 H ILE 89 -6.046 22.825 -18.337 739 HA ILE 89 HA ILE 89 -5.210 20.229 -17.623 740 HB ILE 89 HB ILE 89 -7.911 21.119 -18.673 741 HG12 ILE 89 2HG1 ILE 89 -7.252 22.361 -16.666 742 HG13 ILE 89 3HG1 ILE 89 -8.552 21.238 -16.285 743 HG21 ILE 89 1HG2 ILE 89 -7.152 18.619 -17.151 744 HG22 ILE 89 2HG2 ILE 89 -7.671 18.705 -18.834 745 HG23 ILE 89 3HG2 ILE 89 -8.798 19.119 -17.544 746 HD11 ILE 89 3HD1 ILE 89 -6.890 19.685 -15.334 747 HD12 ILE 89 1HD1 ILE 89 -6.918 21.251 -14.524 748 HD13 ILE 89 2HD1 ILE 89 -5.629 20.874 -15.663 749 H VAL 90 H VAL 90 -6.655 21.387 -20.692 750 HA VAL 90 HA VAL 90 -6.119 18.814 -21.946 751 HB VAL 90 HB VAL 90 -7.408 21.274 -23.161 752 HG11 VAL 90 1HG1 VAL 90 -6.507 19.713 -24.820 753 HG12 VAL 90 2HG1 VAL 90 -8.271 19.719 -24.846 754 HG13 VAL 90 3HG1 VAL 90 -7.402 18.389 -24.074 755 HG21 VAL 90 3HG2 VAL 90 -8.677 20.456 -21.222 756 HG22 VAL 90 1HG2 VAL 90 -8.718 18.841 -21.930 757 HG23 VAL 90 2HG2 VAL 90 -9.549 20.176 -22.730 758 H GLN 91 H GLN 91 -3.924 18.695 -22.220 759 HA GLN 91 HA GLN 91 -2.522 20.776 -23.739 760 HB2 GLN 91 2HB GLN 91 -1.511 18.322 -22.284 761 HB3 GLN 91 3HB GLN 91 -0.480 19.435 -23.173 762 HG2 GLN 91 2HG GLN 91 -2.217 20.263 -20.853 763 HG3 GLN 91 3HG GLN 91 -0.534 19.761 -20.689 764 HE21 GLN 91 1HE2 GLN 91 1.090 21.090 -21.510 765 HE22 GLN 91 2HE2 GLN 91 0.806 22.750 -21.889 Start of MODEL 18 1 H1 MET 1 1H MET 1 3.467 -44.352 5.494 2 H2 MET 1 2H MET 1 3.555 -42.698 5.164 3 H3 MET 1 3H MET 1 2.053 -43.476 5.167 4 HA MET 1 HA MET 1 2.349 -42.180 7.170 5 HB2 MET 1 2HB MET 1 2.406 -45.182 7.578 6 HB3 MET 1 3HB MET 1 1.949 -44.023 8.821 7 HG2 MET 1 2HG MET 1 0.092 -43.257 7.421 8 HG3 MET 1 3HG MET 1 0.537 -44.444 6.193 9 HE1 MET 1 3HE MET 1 -2.814 -45.824 7.755 10 HE2 MET 1 1HE MET 1 -2.026 -45.269 6.279 11 HE3 MET 1 2HE MET 1 -2.383 -44.124 7.572 12 H GLY 2 H GLY 2 3.349 -42.556 9.517 13 HA2 GLY 2 2HA GLY 2 5.291 -42.691 10.824 14 HA3 GLY 2 3HA GLY 2 6.212 -43.128 9.393 15 H HIS 3 H HIS 3 6.771 -41.101 11.500 16 HA HIS 3 HA HIS 3 6.757 -38.636 9.864 17 HB2 HIS 3 2HB HIS 3 6.970 -38.941 12.871 18 HB3 HIS 3 3HB HIS 3 7.017 -37.412 12.002 19 HD1 HIS 3 HD1 HIS 3 4.697 -39.972 13.323 20 HD2 HIS 3 HD2 HIS 3 4.517 -36.626 10.867 21 HE1 HIS 3 HE1 HIS 3 2.265 -39.398 13.149 22 HE2 HIS 3 HE2 HIS 3 2.195 -37.281 11.797 23 H HIS 4 H HIS 4 8.678 -38.571 8.784 24 HA HIS 4 HA HIS 4 11.152 -39.467 9.917 25 HB2 HIS 4 2HB HIS 4 12.208 -38.608 7.912 26 HB3 HIS 4 3HB HIS 4 10.727 -39.444 7.471 27 HD1 HIS 4 HD1 HIS 4 12.339 -36.084 7.451 28 HD2 HIS 4 HD2 HIS 4 8.699 -37.793 6.399 29 HE1 HIS 4 HE1 HIS 4 11.159 -34.358 6.066 30 HE2 HIS 4 HE2 HIS 4 9.074 -35.505 5.254 31 H HIS 5 H HIS 5 13.075 -37.627 9.526 32 HA HIS 5 HA HIS 5 12.522 -35.721 11.656 33 HB2 HIS 5 2HB HIS 5 15.071 -36.473 10.215 34 HB3 HIS 5 3HB HIS 5 14.994 -35.232 11.463 35 HD1 HIS 5 HD1 HIS 5 15.748 -38.692 11.089 36 HD2 HIS 5 HD2 HIS 5 13.794 -36.428 13.976 37 HE1 HIS 5 HE1 HIS 5 15.756 -40.097 13.169 38 HE2 HIS 5 HE2 HIS 5 14.455 -38.765 14.858 39 H HIS 6 H HIS 6 12.637 -33.501 11.513 40 HA HIS 6 HA HIS 6 12.983 -32.293 8.851 41 HB2 HIS 6 2HB HIS 6 10.947 -30.815 9.426 42 HB3 HIS 6 3HB HIS 6 10.643 -32.458 8.879 43 HD1 HIS 6 HD1 HIS 6 9.594 -34.093 10.546 44 HD2 HIS 6 HD2 HIS 6 10.285 -30.321 12.146 45 HE1 HIS 6 HE1 HIS 6 8.353 -34.053 12.724 46 HE2 HIS 6 HE2 HIS 6 8.643 -31.711 13.586 47 H HIS 7 H HIS 7 14.505 -30.800 9.009 48 HA HIS 7 HA HIS 7 15.049 -29.533 11.604 49 HB2 HIS 7 2HB HIS 7 16.705 -29.628 9.068 50 HB3 HIS 7 3HB HIS 7 17.201 -28.854 10.571 51 HD1 HIS 7 HD1 HIS 7 16.950 -32.149 8.905 52 HD2 HIS 7 HD2 HIS 7 17.826 -30.657 12.682 53 HE1 HIS 7 HE1 HIS 7 18.014 -34.053 10.151 54 HE2 HIS 7 HE2 HIS 7 18.642 -33.090 12.388 55 H HIS 8 H HIS 8 14.798 -27.405 11.987 56 HA HIS 8 HA HIS 8 14.541 -25.554 9.715 57 HB2 HIS 8 2HB HIS 8 12.705 -25.727 12.110 58 HB3 HIS 8 3HB HIS 8 12.839 -24.265 11.134 59 HD1 HIS 8 HD1 HIS 8 12.041 -24.444 8.639 60 HD2 HIS 8 HD2 HIS 8 11.151 -27.746 10.997 61 HE1 HIS 8 HE1 HIS 8 10.341 -25.752 7.342 62 HE2 HIS 8 HE2 HIS 8 9.902 -27.802 8.730 63 H SER 9 H SER 9 15.147 -23.362 10.173 64 HA SER 9 HA SER 9 17.532 -23.231 11.686 65 HB2 SER 9 2HB SER 9 15.903 -20.990 10.459 66 HB3 SER 9 3HB SER 9 17.563 -20.843 11.038 67 HG SER 9 HG SER 9 17.829 -21.281 8.936 68 H HIS 10 H HIS 10 18.042 -22.210 13.598 69 HA HIS 10 HA HIS 10 16.146 -22.324 15.664 70 HB2 HIS 10 2HB HIS 10 18.604 -22.560 15.963 71 HB3 HIS 10 3HB HIS 10 18.789 -20.839 15.650 72 HD1 HIS 10 HD1 HIS 10 18.679 -19.346 17.624 73 HD2 HIS 10 HD2 HIS 10 17.049 -23.087 18.407 74 HE1 HIS 10 HE1 HIS 10 18.175 -19.357 20.080 75 HE2 HIS 10 HE2 HIS 10 17.406 -21.700 20.563 76 H MET 11 H MET 11 14.641 -20.952 16.325 77 HA MET 11 HA MET 11 13.393 -19.108 16.684 78 HB2 MET 11 2HB MET 11 16.012 -17.722 16.151 79 HB3 MET 11 3HB MET 11 14.541 -16.824 16.500 80 HG2 MET 11 2HG MET 11 14.341 -18.049 18.637 81 HG3 MET 11 3HG MET 11 15.883 -18.838 18.295 82 HE1 MET 11 3HE MET 11 16.587 -17.925 20.763 83 HE2 MET 11 1HE MET 11 15.084 -17.021 20.935 84 HE3 MET 11 2HE MET 11 16.633 -16.212 21.180 85 H ALA 12 H ALA 12 13.846 -20.257 13.867 86 HA ALA 12 HA ALA 12 13.093 -18.066 12.139 87 HB1 ALA 12 3HB ALA 12 12.970 -21.044 11.651 88 HB2 ALA 12 1HB ALA 12 14.338 -19.995 11.279 89 HB3 ALA 12 2HB ALA 12 12.808 -19.784 10.427 90 H LYS 13 H LYS 13 11.407 -18.636 14.525 91 HA LYS 13 HA LYS 13 8.820 -19.187 13.216 92 HB2 LYS 13 2HB LYS 13 9.641 -19.872 16.057 93 HB3 LYS 13 3HB LYS 13 8.059 -20.173 15.344 94 HG2 LYS 13 2HG LYS 13 8.969 -21.776 13.821 95 HG3 LYS 13 3HG LYS 13 10.617 -21.357 14.279 96 HD2 LYS 13 2HD LYS 13 10.014 -23.453 15.311 97 HD3 LYS 13 3HD LYS 13 10.169 -22.220 16.560 98 HE2 LYS 13 2HE LYS 13 7.496 -22.913 15.358 99 HE3 LYS 13 3HE LYS 13 8.179 -23.855 16.681 100 HZ1 LYS 13 3HZ LYS 13 6.733 -22.204 17.575 101 HZ2 LYS 13 1HZ LYS 13 7.508 -20.963 16.724 102 HZ3 LYS 13 2HZ LYS 13 8.318 -21.767 17.967 103 HA PRO 14 HA PRO 14 8.364 -15.012 15.074 104 HB2 PRO 14 2HB PRO 14 7.370 -13.753 12.958 105 HB3 PRO 14 3HB PRO 14 9.072 -14.239 12.983 106 HG2 PRO 14 2HG PRO 14 6.754 -15.522 11.586 107 HG3 PRO 14 3HG PRO 14 8.419 -15.294 11.017 108 HD2 PRO 14 2HD PRO 14 7.377 -17.641 12.162 109 HD3 PRO 14 3HD PRO 14 9.097 -17.263 11.944 110 H THR 15 H THR 15 6.288 -13.432 14.774 111 HA THR 15 HA THR 15 3.829 -15.068 14.890 112 HB THR 15 HB THR 15 4.284 -14.558 17.177 113 HG1 THR 15 HG1 THR 15 2.093 -14.202 16.409 114 HG21 THR 15 3HG2 THR 15 4.597 -12.262 18.007 115 HG22 THR 15 1HG2 THR 15 4.586 -11.666 16.346 116 HG23 THR 15 2HG2 THR 15 5.880 -12.733 16.892 117 H ALA 16 H ALA 16 2.172 -14.361 13.695 118 HA ALA 16 HA ALA 16 2.555 -11.969 12.071 119 HB1 ALA 16 3HB ALA 16 0.708 -12.813 10.734 120 HB2 ALA 16 1HB ALA 16 0.399 -14.081 11.923 121 HB3 ALA 16 2HB ALA 16 1.904 -14.081 11.003 122 H ARG 17 H ARG 17 0.956 -10.326 11.814 123 HA ARG 17 HA ARG 17 -1.203 -10.119 13.743 124 HB2 ARG 17 2HB ARG 17 -0.399 -8.129 14.834 125 HB3 ARG 17 3HB ARG 17 0.845 -9.365 14.967 126 HG2 ARG 17 2HG ARG 17 1.760 -8.195 12.775 127 HG3 ARG 17 3HG ARG 17 0.846 -6.826 13.409 128 HD2 ARG 17 2HD ARG 17 3.068 -6.619 14.232 129 HD3 ARG 17 3HD ARG 17 2.072 -7.150 15.587 130 HE ARG 17 HE ARG 17 2.944 -9.428 15.135 131 HH11 ARG 17 1HH1 ARG 17 4.720 -6.659 14.106 132 HH12 ARG 17 2HH1 ARG 17 6.220 -7.514 14.042 133 HH21 ARG 17 1HH2 ARG 17 4.873 -10.511 15.033 134 HH22 ARG 17 2HH2 ARG 17 6.310 -9.669 14.572 135 H GLY 18 H GLY 18 -2.479 -8.093 13.421 136 HA2 GLY 18 2HA GLY 18 -2.495 -6.067 11.815 137 HA3 GLY 18 3HA GLY 18 -2.460 -7.311 10.573 138 H GLU 19 H GLU 19 -4.411 -7.415 9.666 139 HA GLU 19 HA GLU 19 -6.621 -7.863 9.390 140 HB2 GLU 19 2HB GLU 19 -6.343 -9.681 10.971 141 HB3 GLU 19 3HB GLU 19 -6.481 -8.577 12.329 142 HG2 GLU 19 2HG GLU 19 -8.532 -9.755 12.141 143 HG3 GLU 19 3HG GLU 19 -8.822 -8.097 11.626 144 H ALA 20 H ALA 20 -7.232 -5.766 8.856 145 HA ALA 20 HA ALA 20 -8.377 -4.105 11.006 146 HB1 ALA 20 3HB ALA 20 -8.425 -2.299 9.383 147 HB2 ALA 20 1HB ALA 20 -7.917 -3.402 8.103 148 HB3 ALA 20 2HB ALA 20 -6.817 -3.023 9.429 149 H GLY 21 H GLY 21 -9.424 -6.561 9.152 150 HA2 GLY 21 2HA GLY 21 -11.503 -7.332 8.560 151 HA3 GLY 21 3HA GLY 21 -12.177 -6.018 9.510 152 H SER 22 H SER 22 -10.647 -6.664 6.352 153 HA SER 22 HA SER 22 -12.686 -5.075 5.024 154 HB2 SER 22 2HB SER 22 -11.067 -3.338 5.612 155 HB3 SER 22 3HB SER 22 -9.761 -4.278 4.891 156 HG SER 22 HG SER 22 -10.312 -2.898 3.313 157 H ARG 23 H ARG 23 -11.988 -4.892 2.563 158 HA ARG 23 HA ARG 23 -11.761 -7.614 1.631 159 HB2 ARG 23 2HB ARG 23 -13.360 -5.914 0.712 160 HB3 ARG 23 3HB ARG 23 -11.986 -5.040 0.050 161 HG2 ARG 23 2HG ARG 23 -11.449 -6.929 -1.389 162 HG3 ARG 23 3HG ARG 23 -12.778 -7.857 -0.685 163 HD2 ARG 23 2HD ARG 23 -14.367 -6.158 -1.493 164 HD3 ARG 23 3HD ARG 23 -13.028 -5.272 -2.226 165 HE ARG 23 HE ARG 23 -13.210 -7.989 -3.121 166 HH11 ARG 23 1HH1 ARG 23 -14.352 -4.773 -3.627 167 HH12 ARG 23 2HH1 ARG 23 -14.844 -5.093 -5.254 168 HH21 ARG 23 1HH2 ARG 23 -13.806 -8.376 -5.204 169 HH22 ARG 23 2HH2 ARG 23 -14.537 -7.119 -6.143 170 H ASP 24 H ASP 24 -9.832 -4.663 1.486 171 HA ASP 24 HA ASP 24 -7.881 -5.599 -0.352 172 HB2 ASP 24 2HB ASP 24 -7.481 -3.424 1.709 173 HB3 ASP 24 3HB ASP 24 -6.719 -3.572 0.124 174 H GLU 25 H GLU 25 -8.139 -5.755 3.142 175 HA GLU 25 HA GLU 25 -5.578 -6.236 3.995 176 HB2 GLU 25 2HB GLU 25 -8.116 -7.587 4.950 177 HB3 GLU 25 3HB GLU 25 -6.587 -7.622 5.816 178 HG2 GLU 25 2HG GLU 25 -8.151 -5.126 5.168 179 HG3 GLU 25 3HG GLU 25 -8.190 -5.977 6.710 180 H ARG 26 H ARG 26 -7.730 -8.549 2.410 181 HA ARG 26 HA ARG 26 -6.480 -10.936 3.018 182 HB2 ARG 26 2HB ARG 26 -7.962 -10.105 0.528 183 HB3 ARG 26 3HB ARG 26 -7.413 -11.755 0.802 184 HG2 ARG 26 2HG ARG 26 -8.752 -11.811 2.887 185 HG3 ARG 26 3HG ARG 26 -9.369 -10.202 2.497 186 HD2 ARG 26 2HD ARG 26 -10.384 -11.043 0.465 187 HD3 ARG 26 3HD ARG 26 -9.662 -12.632 0.723 188 HE ARG 26 HE ARG 26 -11.364 -11.743 2.868 189 HH11 ARG 26 1HH1 ARG 26 -11.218 -13.450 -0.133 190 HH12 ARG 26 2HH1 ARG 26 -12.696 -14.301 0.172 191 HH21 ARG 26 1HH2 ARG 26 -13.215 -12.884 3.258 192 HH22 ARG 26 2HH2 ARG 26 -13.802 -13.992 2.064 193 H ARG 27 H ARG 27 -5.539 -8.608 0.511 194 HA ARG 27 HA ARG 27 -3.488 -10.343 -0.550 195 HB2 ARG 27 2HB ARG 27 -4.413 -7.569 -1.120 196 HB3 ARG 27 3HB ARG 27 -2.759 -7.970 -1.561 197 HG2 ARG 27 2HG ARG 27 -4.107 -8.340 -3.474 198 HG3 ARG 27 3HG ARG 27 -3.649 -9.921 -2.847 199 HD2 ARG 27 2HD ARG 27 -5.950 -10.032 -3.465 200 HD3 ARG 27 3HD ARG 27 -5.881 -10.017 -1.702 201 HE ARG 27 HE ARG 27 -6.303 -7.489 -2.048 202 HH11 ARG 27 1HH1 ARG 27 -7.592 -9.984 -4.045 203 HH12 ARG 27 2HH1 ARG 27 -9.025 -9.092 -4.419 204 HH21 ARG 27 1HH2 ARG 27 -8.139 -6.353 -2.535 205 HH22 ARG 27 2HH2 ARG 27 -9.333 -7.055 -3.570 206 H ALA 28 H ALA 28 -3.610 -7.692 1.767 207 HA ALA 28 HA ALA 28 -0.836 -7.239 2.004 208 HB1 ALA 28 3HB ALA 28 -2.530 -5.681 2.844 209 HB2 ALA 28 1HB ALA 28 -1.375 -6.117 4.103 210 HB3 ALA 28 2HB ALA 28 -2.984 -6.843 4.090 211 H LEU 29 H LEU 29 -3.003 -9.271 3.991 212 HA LEU 29 HA LEU 29 -0.888 -10.220 5.658 213 HB2 LEU 29 2HB LEU 29 -2.605 -11.807 6.531 214 HB3 LEU 29 3HB LEU 29 -3.059 -10.117 6.595 215 HG LEU 29 HG LEU 29 -4.304 -10.634 4.348 216 HD11 LEU 29 1HD1 LEU 29 -5.172 -12.904 4.189 217 HD12 LEU 29 2HD1 LEU 29 -4.156 -13.400 5.542 218 HD13 LEU 29 3HD1 LEU 29 -3.417 -12.886 4.027 219 HD21 LEU 29 3HD2 LEU 29 -6.317 -11.228 5.601 220 HD22 LEU 29 1HD2 LEU 29 -5.395 -9.966 6.418 221 HD23 LEU 29 2HD2 LEU 29 -5.329 -11.629 7.006 222 H ALA 30 H ALA 30 -2.103 -11.288 2.593 223 HA ALA 30 HA ALA 30 -1.072 -13.985 2.835 224 HB1 ALA 30 3HB ALA 30 -2.145 -12.528 0.419 225 HB2 ALA 30 1HB ALA 30 -3.071 -13.569 1.501 226 HB3 ALA 30 2HB ALA 30 -1.782 -14.251 0.508 227 H MET 31 H MET 31 0.118 -10.918 1.728 228 HA MET 31 HA MET 31 2.477 -12.209 0.505 229 HB2 MET 31 2HB MET 31 1.438 -9.382 0.194 230 HB3 MET 31 3HB MET 31 2.877 -10.026 -0.588 231 HG2 MET 31 2HG MET 31 0.063 -11.022 -1.003 232 HG3 MET 31 3HG MET 31 0.960 -9.973 -2.100 233 HE1 MET 31 3HE MET 31 3.133 -10.712 -3.408 234 HE2 MET 31 1HE MET 31 3.843 -12.323 -3.312 235 HE3 MET 31 2HE MET 31 3.910 -11.248 -1.916 236 H LYS 32 H LYS 32 1.716 -11.304 3.441 237 HA LYS 32 HA LYS 32 2.766 -10.555 5.299 238 HB2 LYS 32 2HB LYS 32 5.244 -11.109 3.657 239 HB3 LYS 32 3HB LYS 32 5.263 -10.723 5.371 240 HG2 LYS 32 2HG LYS 32 3.861 -12.744 5.780 241 HG3 LYS 32 3HG LYS 32 4.040 -13.153 4.072 242 HD2 LYS 32 2HD LYS 32 6.483 -13.227 4.347 243 HD3 LYS 32 3HD LYS 32 6.302 -12.824 6.054 244 HE2 LYS 32 2HE LYS 32 5.028 -14.902 6.391 245 HE3 LYS 32 3HE LYS 32 5.256 -15.308 4.690 246 HZ1 LYS 32 3HZ LYS 32 7.687 -15.245 5.123 247 HZ2 LYS 32 1HZ LYS 32 6.877 -16.470 5.960 248 HZ3 LYS 32 2HZ LYS 32 7.359 -15.068 6.771 249 H ILE 33 H ILE 33 1.748 -8.434 4.647 250 HA ILE 33 HA ILE 33 3.785 -6.372 4.130 251 HB ILE 33 HB ILE 33 0.765 -6.130 4.186 252 HG12 ILE 33 2HG1 ILE 33 1.578 -7.411 2.254 253 HG13 ILE 33 3HG1 ILE 33 0.957 -5.845 1.746 254 HG21 ILE 33 1HG2 ILE 33 2.852 -4.079 3.427 255 HG22 ILE 33 2HG2 ILE 33 1.847 -4.050 4.876 256 HG23 ILE 33 3HG2 ILE 33 1.105 -3.875 3.287 257 HD11 ILE 33 3HD1 ILE 33 3.247 -4.999 1.560 258 HD12 ILE 33 1HD1 ILE 33 2.982 -6.416 0.544 259 HD13 ILE 33 2HD1 ILE 33 3.865 -6.574 2.061 260 HA PRO 34 HA PRO 34 3.623 -6.047 8.651 261 HB2 PRO 34 2HB PRO 34 5.942 -4.733 8.996 262 HB3 PRO 34 3HB PRO 34 5.899 -6.441 8.543 263 HG2 PRO 34 2HG PRO 34 6.312 -4.033 6.799 264 HG3 PRO 34 3HG PRO 34 7.209 -5.565 6.815 265 HD2 PRO 34 2HD PRO 34 5.229 -5.011 5.017 266 HD3 PRO 34 3HD PRO 34 5.605 -6.658 5.566 267 H PHE 35 H PHE 35 2.514 -3.877 6.668 268 HA PHE 35 HA PHE 35 2.129 -1.891 8.753 269 HB2 PHE 35 2HB PHE 35 2.519 -0.020 7.042 270 HB3 PHE 35 3HB PHE 35 3.938 -0.807 7.716 271 HD1 PHE 35 HD2 PHE 35 1.869 -0.404 4.705 272 HD2 PHE 35 HD1 PHE 35 5.402 -2.130 6.341 273 HE1 PHE 35 HE2 PHE 35 2.698 -0.870 2.432 274 HE2 PHE 35 HE1 PHE 35 6.233 -2.591 4.076 275 HZ PHE 35 HZ PHE 35 4.882 -1.961 2.116 276 HA PRO 36 HA PRO 36 -2.026 -2.277 7.489 277 HB2 PRO 36 2HB PRO 36 -3.025 0.167 8.261 278 HB3 PRO 36 3HB PRO 36 -2.659 -1.152 9.376 279 HG2 PRO 36 2HG PRO 36 -0.997 1.243 8.675 280 HG3 PRO 36 3HG PRO 36 -1.310 0.529 10.268 281 HD2 PRO 36 2HD PRO 36 0.988 0.067 8.966 282 HD3 PRO 36 3HD PRO 36 0.207 -1.204 9.933 283 H THR 37 H THR 37 -3.295 -1.981 5.732 284 HA THR 37 HA THR 37 -2.416 -0.724 3.420 285 HB THR 37 HB THR 37 -4.750 -0.932 2.566 286 HG1 THR 37 HG1 THR 37 -5.538 -2.249 4.912 287 HG21 THR 37 3HG2 THR 37 -3.238 -2.845 2.432 288 HG22 THR 37 1HG2 THR 37 -4.885 -3.383 2.749 289 HG23 THR 37 2HG2 THR 37 -3.704 -3.349 4.058 290 H ASP 38 H ASP 38 -4.472 0.592 5.980 291 HA ASP 38 HA ASP 38 -5.283 2.995 4.899 292 HB2 ASP 38 2HB ASP 38 -4.245 2.478 7.696 293 HB3 ASP 38 3HB ASP 38 -5.180 3.891 7.213 294 H LYS 39 H LYS 39 -2.149 2.316 6.467 295 HA LYS 39 HA LYS 39 -1.029 4.867 6.151 296 HB2 LYS 39 2HB LYS 39 -0.032 3.236 7.639 297 HB3 LYS 39 3HB LYS 39 0.290 2.149 6.297 298 HG2 LYS 39 2HG LYS 39 1.934 3.665 5.394 299 HG3 LYS 39 3HG LYS 39 1.540 4.877 6.613 300 HD2 LYS 39 2HD LYS 39 2.642 2.131 7.237 301 HD3 LYS 39 3HD LYS 39 3.630 3.586 7.085 302 HE2 LYS 39 2HE LYS 39 2.309 4.620 8.910 303 HE3 LYS 39 3HE LYS 39 1.431 3.102 9.098 304 HZ1 LYS 39 3HZ LYS 39 4.353 3.489 9.476 305 HZ2 LYS 39 1HZ LYS 39 3.541 2.013 9.617 306 HZ3 LYS 39 2HZ LYS 39 3.209 3.266 10.699 307 H ILE 40 H ILE 40 -0.879 2.014 4.047 308 HA ILE 40 HA ILE 40 0.812 2.900 2.047 309 HB ILE 40 HB ILE 40 -1.670 1.193 1.729 310 HG12 ILE 40 2HG1 ILE 40 1.214 0.397 2.213 311 HG13 ILE 40 3HG1 ILE 40 -0.077 0.332 3.407 312 HG21 ILE 40 1HG2 ILE 40 0.734 1.413 -0.084 313 HG22 ILE 40 2HG2 ILE 40 -0.883 2.024 -0.432 314 HG23 ILE 40 3HG2 ILE 40 -0.610 0.288 -0.277 315 HD11 ILE 40 3HD1 ILE 40 -1.234 -1.348 2.053 316 HD12 ILE 40 1HD1 ILE 40 0.389 -1.866 2.504 317 HD13 ILE 40 2HD1 ILE 40 0.071 -1.287 0.869 318 H VAL 41 H VAL 41 -2.595 3.678 2.517 319 HA VAL 41 HA VAL 41 -2.782 5.022 -0.066 320 HB VAL 41 HB VAL 41 -4.882 4.638 2.079 321 HG11 VAL 41 1HG1 VAL 41 -5.177 5.563 -0.785 322 HG12 VAL 41 2HG1 VAL 41 -5.367 6.566 0.654 323 HG13 VAL 41 3HG1 VAL 41 -6.499 5.250 0.341 324 HG21 VAL 41 3HG2 VAL 41 -4.105 2.518 1.132 325 HG22 VAL 41 1HG2 VAL 41 -4.426 3.119 -0.496 326 HG23 VAL 41 2HG2 VAL 41 -5.761 2.868 0.633 327 H ASN 42 H ASN 42 -3.009 5.889 3.390 328 HA ASN 42 HA ASN 42 -3.733 8.611 2.796 329 HB2 ASN 42 2HB ASN 42 -3.141 7.182 5.385 330 HB3 ASN 42 3HB ASN 42 -3.529 8.898 5.316 331 HD21 ASN 42 1HD2 ASN 42 -4.749 5.687 5.024 332 HD22 ASN 42 2HD2 ASN 42 -6.421 6.106 4.939 333 H LEU 43 H LEU 43 -0.695 7.039 3.068 334 HA LEU 43 HA LEU 43 0.853 9.178 4.098 335 HB2 LEU 43 2HB LEU 43 1.510 6.803 2.384 336 HB3 LEU 43 3HB LEU 43 2.724 8.030 2.690 337 HG LEU 43 HG LEU 43 1.354 6.312 4.765 338 HD11 LEU 43 1HD1 LEU 43 3.600 5.387 5.106 339 HD12 LEU 43 2HD1 LEU 43 4.210 6.387 3.786 340 HD13 LEU 43 3HD1 LEU 43 3.028 5.120 3.458 341 HD21 LEU 43 3HD2 LEU 43 1.766 8.549 5.657 342 HD22 LEU 43 1HD2 LEU 43 3.445 8.464 5.128 343 HD23 LEU 43 2HD2 LEU 43 2.859 7.372 6.385 344 HA PRO 44 HA PRO 44 1.190 11.921 0.524 345 HB2 PRO 44 2HB PRO 44 3.597 13.058 1.193 346 HB3 PRO 44 3HB PRO 44 2.053 13.558 1.893 347 HG2 PRO 44 2HG PRO 44 4.140 11.727 3.015 348 HG3 PRO 44 3HG PRO 44 3.206 12.993 3.834 349 HD2 PRO 44 2HD PRO 44 2.581 10.377 4.061 350 HD3 PRO 44 3HD PRO 44 1.338 11.646 4.058 351 H VAL 45 H VAL 45 2.365 11.903 -1.444 352 HA VAL 45 HA VAL 45 3.188 9.418 -2.275 353 HB VAL 45 HB VAL 45 2.474 11.169 -3.821 354 HG11 VAL 45 1HG1 VAL 45 4.014 12.923 -4.566 355 HG12 VAL 45 2HG1 VAL 45 5.184 12.412 -3.348 356 HG13 VAL 45 3HG1 VAL 45 3.629 13.080 -2.852 357 HG21 VAL 45 3HG2 VAL 45 5.208 10.056 -4.461 358 HG22 VAL 45 1HG2 VAL 45 4.061 10.693 -5.642 359 HG23 VAL 45 2HG2 VAL 45 3.662 9.246 -4.715 360 H ASP 46 H ASP 46 5.296 12.025 -1.081 361 HA ASP 46 HA ASP 46 7.741 10.796 -1.801 362 HB2 ASP 46 2HB ASP 46 7.120 12.833 0.345 363 HB3 ASP 46 3HB ASP 46 8.753 12.337 -0.096 364 H ASP 47 H ASP 47 6.083 10.867 1.373 365 HA ASP 47 HA ASP 47 7.872 9.109 2.664 366 HB2 ASP 47 2HB ASP 47 4.984 9.804 3.245 367 HB3 ASP 47 3HB ASP 47 5.981 8.816 4.313 368 H PHE 48 H PHE 48 5.199 8.500 0.512 369 HA PHE 48 HA PHE 48 4.856 5.738 1.038 370 HB2 PHE 48 2HB PHE 48 3.244 7.019 -0.293 371 HB3 PHE 48 3HB PHE 48 4.458 7.292 -1.537 372 HD1 PHE 48 HD2 PHE 48 2.492 4.637 0.156 373 HD2 PHE 48 HD1 PHE 48 4.772 5.738 -3.273 374 HE1 PHE 48 HE2 PHE 48 1.801 2.567 -0.968 375 HE2 PHE 48 HE1 PHE 48 4.079 3.664 -4.401 376 HZ PHE 48 HZ PHE 48 2.592 2.075 -3.245 377 H ASN 49 H ASN 49 6.865 7.414 -1.421 378 HA ASN 49 HA ASN 49 8.120 5.093 -2.420 379 HB2 ASN 49 2HB ASN 49 9.117 7.954 -2.365 380 HB3 ASN 49 3HB ASN 49 9.907 6.652 -3.249 381 HD21 ASN 49 1HD2 ASN 49 7.331 8.907 -3.233 382 HD22 ASN 49 2HD2 ASN 49 6.683 8.500 -4.780 383 H GLU 50 H GLU 50 8.967 7.225 0.273 384 HA GLU 50 HA GLU 50 11.443 6.090 0.966 385 HB2 GLU 50 2HB GLU 50 9.322 7.338 2.733 386 HB3 GLU 50 3HB GLU 50 10.945 6.940 3.274 387 HG2 GLU 50 2HG GLU 50 10.366 8.839 1.009 388 HG3 GLU 50 3HG GLU 50 10.551 9.346 2.684 389 H LEU 51 H LEU 51 8.156 5.258 2.026 390 HA LEU 51 HA LEU 51 8.644 3.287 3.892 391 HB2 LEU 51 2HB LEU 51 6.429 4.229 3.281 392 HB3 LEU 51 3HB LEU 51 6.464 3.314 1.786 393 HG LEU 51 HG LEU 51 6.432 1.208 3.100 394 HD11 LEU 51 1HD1 LEU 51 5.898 1.297 5.492 395 HD12 LEU 51 2HD1 LEU 51 6.083 3.052 5.466 396 HD13 LEU 51 3HD1 LEU 51 7.473 2.013 5.149 397 HD21 LEU 51 3HD2 LEU 51 4.095 1.380 3.823 398 HD22 LEU 51 1HD2 LEU 51 4.353 2.148 2.256 399 HD23 LEU 51 2HD2 LEU 51 4.190 3.138 3.707 400 H LEU 52 H LEU 52 8.204 2.769 0.378 401 HA LEU 52 HA LEU 52 8.816 -0.001 0.407 402 HB2 LEU 52 2HB LEU 52 8.986 1.989 -1.861 403 HB3 LEU 52 3HB LEU 52 9.039 0.244 -2.043 404 HG LEU 52 HG LEU 52 6.680 1.811 -0.980 405 HD11 LEU 52 1HD1 LEU 52 7.108 0.465 -3.649 406 HD12 LEU 52 2HD1 LEU 52 7.019 2.203 -3.356 407 HD13 LEU 52 3HD1 LEU 52 5.599 1.192 -3.095 408 HD21 LEU 52 3HD2 LEU 52 6.834 -0.425 -0.004 409 HD22 LEU 52 1HD2 LEU 52 6.973 -1.127 -1.617 410 HD23 LEU 52 2HD2 LEU 52 5.481 -0.321 -1.131 411 H ALA 53 H ALA 53 10.839 2.827 0.330 412 HA ALA 53 HA ALA 53 13.198 1.369 -0.547 413 HB1 ALA 53 3HB ALA 53 14.348 3.513 -0.346 414 HB2 ALA 53 1HB ALA 53 12.916 4.221 0.406 415 HB3 ALA 53 2HB ALA 53 12.857 3.681 -1.272 416 H ARG 54 H ARG 54 11.622 1.947 2.419 417 HA ARG 54 HA ARG 54 14.064 1.703 4.015 418 HB2 ARG 54 2HB ARG 54 11.185 2.154 4.818 419 HB3 ARG 54 3HB ARG 54 12.506 1.992 5.963 420 HG2 ARG 54 2HG ARG 54 13.593 3.960 4.787 421 HG3 ARG 54 3HG ARG 54 12.055 4.185 3.955 422 HD2 ARG 54 2HD ARG 54 12.145 5.630 5.892 423 HD3 ARG 54 3HD ARG 54 10.930 4.378 6.146 424 HE ARG 54 HE ARG 54 12.954 3.237 7.354 425 HH11 ARG 54 1HH1 ARG 54 12.086 6.569 7.455 426 HH12 ARG 54 2HH1 ARG 54 12.712 6.792 9.049 427 HH21 ARG 54 1HH2 ARG 54 13.758 3.533 9.389 428 HH22 ARG 54 2HH2 ARG 54 13.639 5.090 10.141 429 H TYR 55 H TYR 55 10.989 -0.048 3.557 430 HA TYR 55 HA TYR 55 11.796 -2.200 5.302 431 HB2 TYR 55 2HB TYR 55 9.398 -1.792 3.508 432 HB3 TYR 55 3HB TYR 55 9.654 -3.275 4.424 433 HD1 TYR 55 HD2 TYR 55 9.651 0.429 5.023 434 HD2 TYR 55 HD1 TYR 55 8.593 -3.433 6.470 435 HE1 TYR 55 HE2 TYR 55 8.593 1.459 6.989 436 HE2 TYR 55 HE1 TYR 55 7.532 -2.414 8.438 437 HH TYR 55 HH TYR 55 7.677 -0.310 9.732 438 HA PRO 56 HA PRO 56 13.887 -4.592 2.169 439 HB2 PRO 56 2HB PRO 56 14.280 -6.858 3.568 440 HB3 PRO 56 3HB PRO 56 15.110 -5.354 3.990 441 HG2 PRO 56 2HG PRO 56 12.662 -6.573 5.228 442 HG3 PRO 56 3HG PRO 56 14.084 -5.870 6.025 443 HD2 PRO 56 2HD PRO 56 11.742 -4.508 5.669 444 HD3 PRO 56 3HD PRO 56 13.328 -3.712 5.749 445 H LEU 57 H LEU 57 11.152 -4.455 1.640 446 HA LEU 57 HA LEU 57 9.882 -7.016 1.614 447 HB2 LEU 57 2HB LEU 57 9.259 -4.530 0.008 448 HB3 LEU 57 3HB LEU 57 8.205 -5.922 0.179 449 HG LEU 57 HG LEU 57 9.041 -4.083 2.431 450 HD11 LEU 57 1HD1 LEU 57 6.735 -3.277 2.369 451 HD12 LEU 57 2HD1 LEU 57 6.407 -4.296 0.968 452 HD13 LEU 57 3HD1 LEU 57 7.559 -2.967 0.842 453 HD21 LEU 57 3HD2 LEU 57 7.068 -6.372 2.379 454 HD22 LEU 57 1HD2 LEU 57 7.320 -5.262 3.728 455 HD23 LEU 57 2HD2 LEU 57 8.617 -6.343 3.223 456 H THR 58 H THR 58 9.422 -8.342 -0.194 457 HA THR 58 HA THR 58 11.473 -8.443 -2.230 458 HB THR 58 HB THR 58 10.371 -10.479 -3.017 459 HG1 THR 58 HG1 THR 58 8.438 -10.311 -0.969 460 HG21 THR 58 3HG2 THR 58 11.868 -10.688 -1.096 461 HG22 THR 58 1HG2 THR 58 10.536 -11.840 -0.974 462 HG23 THR 58 2HG2 THR 58 10.522 -10.370 -0.001 463 H GLU 59 H GLU 59 10.928 -8.619 -4.553 464 HA GLU 59 HA GLU 59 9.789 -6.309 -5.521 465 HB2 GLU 59 2HB GLU 59 10.148 -8.963 -6.915 466 HB3 GLU 59 3HB GLU 59 9.683 -7.483 -7.746 467 HG2 GLU 59 2HG GLU 59 11.768 -6.419 -6.993 468 HG3 GLU 59 3HG GLU 59 12.240 -7.927 -6.212 469 H SER 60 H SER 60 8.196 -9.512 -5.407 470 HA SER 60 HA SER 60 5.746 -8.836 -6.526 471 HB2 SER 60 2HB SER 60 6.241 -10.764 -4.237 472 HB3 SER 60 3HB SER 60 4.796 -10.726 -5.247 473 HG SER 60 HG SER 60 6.022 -12.226 -6.202 474 H GLN 61 H GLN 61 6.937 -8.188 -3.283 475 HA GLN 61 HA GLN 61 4.380 -7.439 -2.199 476 HB2 GLN 61 2HB GLN 61 7.185 -7.010 -1.137 477 HB3 GLN 61 3HB GLN 61 5.710 -6.668 -0.237 478 HG2 GLN 61 2HG GLN 61 5.089 -9.019 -0.315 479 HG3 GLN 61 3HG GLN 61 6.512 -9.377 -1.292 480 HE21 GLN 61 1HE2 GLN 61 5.362 -8.563 1.890 481 HE22 GLN 61 2HE2 GLN 61 6.829 -8.923 2.724 482 H LEU 62 H LEU 62 7.260 -5.571 -3.275 483 HA LEU 62 HA LEU 62 6.206 -3.016 -2.763 484 HB2 LEU 62 2HB LEU 62 8.175 -3.920 -4.868 485 HB3 LEU 62 3HB LEU 62 7.712 -2.242 -4.676 486 HG LEU 62 HG LEU 62 8.513 -2.510 -2.228 487 HD11 LEU 62 1HD1 LEU 62 9.902 -4.866 -3.485 488 HD12 LEU 62 2HD1 LEU 62 8.690 -4.920 -2.204 489 HD13 LEU 62 3HD1 LEU 62 10.260 -4.178 -1.901 490 HD21 LEU 62 3HD2 LEU 62 10.810 -1.971 -2.860 491 HD22 LEU 62 1HD2 LEU 62 9.653 -1.133 -3.893 492 HD23 LEU 62 2HD2 LEU 62 10.508 -2.554 -4.498 493 H ALA 63 H ALA 63 6.012 -4.980 -5.735 494 HA ALA 63 HA ALA 63 4.508 -3.250 -7.319 495 HB1 ALA 63 3HB ALA 63 3.829 -5.227 -8.574 496 HB2 ALA 63 1HB ALA 63 4.335 -6.264 -7.240 497 HB3 ALA 63 2HB ALA 63 5.534 -5.331 -8.135 498 H LEU 64 H LEU 64 3.423 -5.589 -4.883 499 HA LEU 64 HA LEU 64 0.653 -5.266 -5.241 500 HB2 LEU 64 2HB LEU 64 1.630 -7.100 -3.935 501 HB3 LEU 64 3HB LEU 64 2.180 -5.953 -2.724 502 HG LEU 64 HG LEU 64 -0.222 -5.358 -2.293 503 HD11 LEU 64 1HD1 LEU 64 -0.774 -7.757 -4.042 504 HD12 LEU 64 2HD1 LEU 64 -1.171 -6.079 -4.417 505 HD13 LEU 64 3HD1 LEU 64 -1.960 -6.890 -3.067 506 HD21 LEU 64 3HD2 LEU 64 0.564 -8.239 -1.853 507 HD22 LEU 64 1HD2 LEU 64 -0.711 -7.379 -0.990 508 HD23 LEU 64 2HD2 LEU 64 0.968 -6.871 -0.816 509 H VAL 65 H VAL 65 2.791 -3.748 -2.801 510 HA VAL 65 HA VAL 65 0.915 -2.130 -1.550 511 HB VAL 65 HB VAL 65 3.848 -1.529 -2.003 512 HG11 VAL 65 1HG1 VAL 65 1.937 -0.408 0.054 513 HG12 VAL 65 2HG1 VAL 65 2.682 0.477 -1.279 514 HG13 VAL 65 3HG1 VAL 65 3.681 -0.148 0.034 515 HG21 VAL 65 3HG2 VAL 65 3.498 -3.700 -0.942 516 HG22 VAL 65 1HG2 VAL 65 2.464 -2.954 0.279 517 HG23 VAL 65 2HG2 VAL 65 4.180 -2.552 0.209 518 H ARG 66 H ARG 66 2.947 -1.339 -4.371 519 HA ARG 66 HA ARG 66 2.092 1.297 -4.783 520 HB2 ARG 66 2HB ARG 66 3.038 -0.805 -6.740 521 HB3 ARG 66 3HB ARG 66 2.734 0.867 -7.197 522 HG2 ARG 66 2HG ARG 66 4.463 1.648 -5.719 523 HG3 ARG 66 3HG ARG 66 4.696 0.026 -5.065 524 HD2 ARG 66 2HD ARG 66 6.429 0.683 -6.717 525 HD3 ARG 66 3HD ARG 66 5.538 -0.767 -7.178 526 HE ARG 66 HE ARG 66 4.319 1.483 -8.351 527 HH11 ARG 66 1HH1 ARG 66 7.283 -0.271 -8.574 528 HH12 ARG 66 2HH1 ARG 66 7.425 -0.026 -10.278 529 HH21 ARG 66 1HH2 ARG 66 4.537 1.815 -10.533 530 HH22 ARG 66 2HH2 ARG 66 5.886 1.140 -11.373 531 H ASP 67 H ASP 67 0.602 -1.754 -5.733 532 HA ASP 67 HA ASP 67 -1.446 -0.467 -7.323 533 HB2 ASP 67 2HB ASP 67 -0.456 -2.781 -7.748 534 HB3 ASP 67 3HB ASP 67 -1.422 -3.344 -6.389 535 H ILE 68 H ILE 68 -1.116 -1.676 -4.048 536 HA ILE 68 HA ILE 68 -3.836 -1.731 -3.308 537 HB ILE 68 HB ILE 68 -1.386 -1.199 -1.605 538 HG12 ILE 68 2HG1 ILE 68 -3.066 -3.694 -2.006 539 HG13 ILE 68 3HG1 ILE 68 -1.445 -3.428 -2.637 540 HG21 ILE 68 1HG2 ILE 68 -3.351 -0.250 -0.507 541 HG22 ILE 68 2HG2 ILE 68 -2.805 -1.691 0.347 542 HG23 ILE 68 3HG2 ILE 68 -4.217 -1.775 -0.705 543 HD11 ILE 68 3HD1 ILE 68 -1.425 -4.867 -0.677 544 HD12 ILE 68 1HD1 ILE 68 -2.182 -3.593 0.279 545 HD13 ILE 68 2HD1 ILE 68 -0.559 -3.361 -0.373 546 H ARG 69 H ARG 69 -1.432 0.906 -3.187 547 HA ARG 69 HA ARG 69 -3.105 2.843 -2.009 548 HB2 ARG 69 2HB ARG 69 -0.641 3.093 -2.256 549 HB3 ARG 69 3HB ARG 69 -0.855 3.316 -3.988 550 HG2 ARG 69 2HG ARG 69 -2.030 5.370 -3.654 551 HG3 ARG 69 3HG ARG 69 -2.103 5.113 -1.911 552 HD2 ARG 69 2HD ARG 69 -0.393 6.743 -2.406 553 HD3 ARG 69 3HD ARG 69 0.369 5.267 -1.820 554 HE ARG 69 HE ARG 69 0.799 4.786 -4.257 555 HH11 ARG 69 1HH1 ARG 69 0.465 8.006 -3.088 556 HH12 ARG 69 2HH1 ARG 69 1.451 8.676 -4.338 557 HH21 ARG 69 1HH2 ARG 69 2.111 5.648 -5.815 558 HH22 ARG 69 2HH2 ARG 69 2.411 7.347 -5.843 559 H ARG 70 H ARG 70 -2.750 1.805 -5.362 560 HA ARG 70 HA ARG 70 -4.274 3.815 -6.607 561 HB2 ARG 70 2HB ARG 70 -2.914 2.328 -7.927 562 HB3 ARG 70 3HB ARG 70 -3.796 0.924 -7.355 563 HG2 ARG 70 2HG ARG 70 -4.423 1.438 -9.634 564 HG3 ARG 70 3HG ARG 70 -5.796 1.678 -8.556 565 HD2 ARG 70 2HD ARG 70 -4.007 3.946 -9.424 566 HD3 ARG 70 3HD ARG 70 -5.406 3.434 -10.365 567 HE ARG 70 HE ARG 70 -6.496 3.833 -7.960 568 HH11 ARG 70 1HH1 ARG 70 -4.396 5.800 -9.854 569 HH12 ARG 70 2HH1 ARG 70 -4.997 7.274 -9.180 570 HH21 ARG 70 1HH2 ARG 70 -7.268 5.720 -7.122 571 HH22 ARG 70 2HH2 ARG 70 -6.618 7.232 -7.649 572 H ARG 71 H ARG 71 -5.337 0.504 -5.703 573 HA ARG 71 HA ARG 71 -8.082 1.025 -6.232 574 HB2 ARG 71 2HB ARG 71 -6.940 -1.117 -4.424 575 HB3 ARG 71 3HB ARG 71 -8.524 -1.119 -5.190 576 HG2 ARG 71 2HG ARG 71 -7.416 -1.212 -7.407 577 HG3 ARG 71 3HG ARG 71 -5.856 -1.308 -6.588 578 HD2 ARG 71 2HD ARG 71 -6.707 -3.374 -5.422 579 HD3 ARG 71 3HD ARG 71 -8.109 -3.313 -6.492 580 HE ARG 71 HE ARG 71 -5.541 -3.305 -7.826 581 HH11 ARG 71 1HH1 ARG 71 -8.198 -5.187 -6.709 582 HH12 ARG 71 2HH1 ARG 71 -7.747 -6.570 -7.640 583 HH21 ARG 71 1HH2 ARG 71 -5.013 -5.061 -9.066 584 HH22 ARG 71 2HH2 ARG 71 -5.983 -6.492 -8.987 585 H GLY 72 H GLY 72 -6.159 1.081 -3.272 586 HA2 GLY 72 2HA GLY 72 -8.196 1.432 -1.382 587 HA3 GLY 72 3HA GLY 72 -6.532 1.955 -1.188 588 H LYS 73 H LYS 73 -6.350 3.925 -3.187 589 HA LYS 73 HA LYS 73 -7.881 6.038 -1.958 590 HB2 LYS 73 2HB LYS 73 -5.533 6.383 -2.654 591 HB3 LYS 73 3HB LYS 73 -6.016 6.186 -4.336 592 HG2 LYS 73 2HG LYS 73 -7.234 8.197 -4.341 593 HG3 LYS 73 3HG LYS 73 -7.253 8.292 -2.581 594 HD2 LYS 73 2HD LYS 73 -5.702 9.920 -3.523 595 HD3 LYS 73 3HD LYS 73 -4.837 8.714 -2.570 596 HE2 LYS 73 2HE LYS 73 -4.188 7.551 -4.618 597 HE3 LYS 73 3HE LYS 73 -5.094 8.720 -5.581 598 HZ1 LYS 73 3HZ LYS 73 -3.630 10.463 -4.835 599 HZ2 LYS 73 1HZ LYS 73 -2.710 9.214 -5.512 600 HZ3 LYS 73 2HZ LYS 73 -2.793 9.396 -3.828 601 H ASN 74 H ASN 74 -8.174 4.102 -4.844 602 HA ASN 74 HA ASN 74 -9.948 5.749 -6.312 603 HB2 ASN 74 2HB ASN 74 -8.807 3.777 -7.281 604 HB3 ASN 74 3HB ASN 74 -9.773 2.717 -6.259 605 HD21 ASN 74 1HD2 ASN 74 -10.670 1.660 -8.010 606 HD22 ASN 74 2HD2 ASN 74 -11.833 2.401 -9.049 607 H LYS 75 H LYS 75 -10.569 3.148 -3.958 608 HA LYS 75 HA LYS 75 -13.391 3.262 -4.109 609 HB2 LYS 75 2HB LYS 75 -13.361 1.908 -2.046 610 HB3 LYS 75 3HB LYS 75 -12.246 1.295 -3.258 611 HG2 LYS 75 2HG LYS 75 -10.407 2.507 -2.049 612 HG3 LYS 75 3HG LYS 75 -11.564 2.841 -0.763 613 HD2 LYS 75 2HD LYS 75 -10.783 0.086 -1.735 614 HD3 LYS 75 3HD LYS 75 -10.140 0.871 -0.295 615 HE2 LYS 75 2HE LYS 75 -12.439 0.968 0.630 616 HE3 LYS 75 3HE LYS 75 -13.013 0.085 -0.784 617 HZ1 LYS 75 3HZ LYS 75 -12.645 -1.388 1.093 618 HZ2 LYS 75 1HZ LYS 75 -11.023 -0.919 1.182 619 HZ3 LYS 75 2HZ LYS 75 -11.586 -1.763 -0.168 620 H VAL 76 H VAL 76 -11.108 5.184 -2.255 621 HA VAL 76 HA VAL 76 -13.279 6.224 -0.579 622 HB VAL 76 HB VAL 76 -11.198 5.619 0.565 623 HG11 VAL 76 1HG1 VAL 76 -9.163 6.939 0.294 624 HG12 VAL 76 2HG1 VAL 76 -9.917 7.855 -1.013 625 HG13 VAL 76 3HG1 VAL 76 -9.601 6.131 -1.211 626 HG21 VAL 76 3HG2 VAL 76 -11.763 8.594 0.638 627 HG22 VAL 76 1HG2 VAL 76 -10.942 7.663 1.892 628 HG23 VAL 76 2HG2 VAL 76 -12.639 7.350 1.532 629 H ALA 77 H ALA 77 -10.933 7.445 -2.978 630 HA ALA 77 HA ALA 77 -11.685 10.180 -2.655 631 HB1 ALA 77 3HB ALA 77 -10.270 10.629 -4.566 632 HB2 ALA 77 1HB ALA 77 -10.215 8.911 -4.964 633 HB3 ALA 77 2HB ALA 77 -9.472 9.496 -3.475 634 H ALA 78 H ALA 78 -13.370 7.685 -4.075 635 HA ALA 78 HA ALA 78 -14.502 9.090 -6.313 636 HB1 ALA 78 3HB ALA 78 -14.323 6.643 -6.272 637 HB2 ALA 78 1HB ALA 78 -15.988 7.172 -6.514 638 HB3 ALA 78 2HB ALA 78 -15.471 6.584 -4.934 639 H GLN 79 H GLN 79 -15.381 8.710 -2.924 640 HA GLN 79 HA GLN 79 -18.096 9.582 -3.326 641 HB2 GLN 79 2HB GLN 79 -18.179 9.601 -0.792 642 HB3 GLN 79 3HB GLN 79 -17.833 8.059 -1.556 643 HG2 GLN 79 2HG GLN 79 -16.378 8.134 0.248 644 HG3 GLN 79 3HG GLN 79 -15.374 8.586 -1.124 645 HE21 GLN 79 1HE2 GLN 79 -13.876 9.704 0.077 646 HE22 GLN 79 2HE2 GLN 79 -14.225 11.185 0.896 647 H ASN 80 H ASN 80 -15.101 11.164 -2.383 648 HA ASN 80 HA ASN 80 -16.484 13.610 -1.604 649 HB2 ASN 80 2HB ASN 80 -14.180 14.445 -1.116 650 HB3 ASN 80 3HB ASN 80 -14.590 12.960 -0.263 651 HD21 ASN 80 1HD2 ASN 80 -12.575 14.401 -2.676 652 HD22 ASN 80 2HD2 ASN 80 -11.554 13.029 -2.920 653 H TYR 81 H TYR 81 -16.153 12.482 -4.520 654 HA TYR 81 HA TYR 81 -14.858 14.752 -5.816 655 HB2 TYR 81 2HB TYR 81 -14.700 12.264 -6.553 656 HB3 TYR 81 3HB TYR 81 -16.296 12.518 -7.247 657 HD1 TYR 81 HD1 TYR 81 -12.762 13.591 -7.395 658 HD2 TYR 81 HD2 TYR 81 -16.559 13.717 -9.317 659 HE1 TYR 81 HE1 TYR 81 -11.707 14.526 -9.406 660 HE2 TYR 81 HE2 TYR 81 -15.508 14.654 -11.336 661 HH TYR 81 HH TYR 81 -12.099 14.720 -11.766 662 H ARG 82 H ARG 82 -15.965 16.063 -7.435 663 HA ARG 82 HA ARG 82 -18.595 16.847 -6.544 664 HB2 ARG 82 2HB ARG 82 -16.981 18.555 -7.097 665 HB3 ARG 82 3HB ARG 82 -16.798 17.922 -8.722 666 HG2 ARG 82 2HG ARG 82 -18.119 19.943 -8.751 667 HG3 ARG 82 3HG ARG 82 -19.112 18.571 -9.234 668 HD2 ARG 82 2HD ARG 82 -19.082 19.487 -6.377 669 HD3 ARG 82 3HD ARG 82 -20.062 20.338 -7.570 670 HE ARG 82 HE ARG 82 -20.669 17.647 -7.827 671 HH11 ARG 82 1HH1 ARG 82 -20.903 20.041 -5.349 672 HH12 ARG 82 2HH1 ARG 82 -22.319 19.328 -4.660 673 HH21 ARG 82 1HH2 ARG 82 -22.481 16.765 -6.927 674 HH22 ARG 82 2HH2 ARG 82 -23.194 17.502 -5.537 675 H LYS 83 H LYS 83 -17.417 16.175 -9.879 676 HA LYS 83 HA LYS 83 -20.071 15.700 -10.822 677 HB2 LYS 83 2HB LYS 83 -17.391 15.164 -12.124 678 HB3 LYS 83 3HB LYS 83 -18.943 14.968 -12.935 679 HG2 LYS 83 2HG LYS 83 -17.777 17.539 -11.856 680 HG3 LYS 83 3HG LYS 83 -17.973 17.088 -13.552 681 HD2 LYS 83 2HD LYS 83 -20.407 17.067 -13.275 682 HD3 LYS 83 3HD LYS 83 -20.227 17.482 -11.570 683 HE2 LYS 83 2HE LYS 83 -20.782 19.484 -12.759 684 HE3 LYS 83 3HE LYS 83 -19.088 19.595 -12.278 685 HZ1 LYS 83 3HZ LYS 83 -20.084 18.837 -14.971 686 HZ2 LYS 83 1HZ LYS 83 -18.458 18.937 -14.519 687 HZ3 LYS 83 2HZ LYS 83 -19.413 20.329 -14.548 688 H ARG 84 H ARG 84 -21.242 13.950 -10.553 689 HA ARG 84 HA ARG 84 -19.990 11.540 -9.462 690 HB2 ARG 84 2HB ARG 84 -21.864 12.648 -8.266 691 HB3 ARG 84 3HB ARG 84 -22.906 12.339 -9.646 692 HG2 ARG 84 2HG ARG 84 -23.343 10.720 -7.910 693 HG3 ARG 84 3HG ARG 84 -22.619 9.914 -9.304 694 HD2 ARG 84 2HD ARG 84 -21.718 9.178 -7.084 695 HD3 ARG 84 3HD ARG 84 -20.495 9.766 -8.212 696 HE ARG 84 HE ARG 84 -21.278 11.928 -6.669 697 HH11 ARG 84 1HH1 ARG 84 -19.806 8.864 -6.124 698 HH12 ARG 84 2HH1 ARG 84 -18.832 9.451 -4.826 699 HH21 ARG 84 1HH2 ARG 84 -20.049 12.669 -5.014 700 HH22 ARG 84 2HH2 ARG 84 -18.995 11.593 -4.167 701 H LYS 85 H LYS 85 -20.210 9.489 -10.356 702 HA LYS 85 HA LYS 85 -20.981 9.133 -13.072 703 HB2 LYS 85 2HB LYS 85 -20.606 7.122 -10.835 704 HB3 LYS 85 3HB LYS 85 -20.878 6.683 -12.516 705 HG2 LYS 85 2HG LYS 85 -18.546 8.351 -11.572 706 HG3 LYS 85 3HG LYS 85 -18.487 6.600 -11.779 707 HD2 LYS 85 2HD LYS 85 -19.114 8.608 -13.955 708 HD3 LYS 85 3HD LYS 85 -17.564 7.796 -13.733 709 HE2 LYS 85 2HE LYS 85 -20.205 6.480 -14.378 710 HE3 LYS 85 3HE LYS 85 -18.857 6.714 -15.488 711 HZ1 LYS 85 3HZ LYS 85 -17.519 5.238 -14.170 712 HZ2 LYS 85 1HZ LYS 85 -18.965 4.456 -14.567 713 HZ3 LYS 85 2HZ LYS 85 -18.736 5.079 -13.012 714 H LEU 86 H LEU 86 -23.064 10.152 -13.098 715 HA LEU 86 HA LEU 86 -25.184 9.182 -11.421 716 HB2 LEU 86 2HB LEU 86 -26.604 10.749 -12.819 717 HB3 LEU 86 3HB LEU 86 -25.300 11.468 -11.895 718 HG LEU 86 HG LEU 86 -23.931 11.422 -14.061 719 HD11 LEU 86 1HD1 LEU 86 -26.661 10.960 -15.265 720 HD12 LEU 86 2HD1 LEU 86 -25.275 9.872 -15.351 721 HD13 LEU 86 3HD1 LEU 86 -25.214 11.440 -16.154 722 HD21 LEU 86 3HD2 LEU 86 -24.906 13.513 -14.849 723 HD22 LEU 86 1HD2 LEU 86 -24.860 13.464 -13.086 724 HD23 LEU 86 2HD2 LEU 86 -26.380 13.186 -13.937 725 H GLU 87 H GLU 87 -27.391 8.767 -12.548 726 HA GLU 87 HA GLU 87 -27.073 6.838 -14.741 727 HB2 GLU 87 2HB GLU 87 -28.323 5.132 -13.532 728 HB3 GLU 87 3HB GLU 87 -26.896 5.587 -12.613 729 HG2 GLU 87 2HG GLU 87 -29.693 6.588 -12.075 730 HG3 GLU 87 3HG GLU 87 -28.907 5.271 -11.213 731 H THR 88 H THR 88 -29.363 5.942 -15.324 732 HA THR 88 HA THR 88 -31.595 7.681 -14.724 733 HB THR 88 HB THR 88 -30.692 8.976 -16.543 734 HG1 THR 88 HG1 THR 88 -32.520 8.125 -18.202 735 HG21 THR 88 3HG2 THR 88 -30.727 6.445 -18.199 736 HG22 THR 88 1HG2 THR 88 -29.285 7.262 -17.597 737 HG23 THR 88 2HG2 THR 88 -30.319 8.058 -18.784 738 H ILE 89 H ILE 89 -33.184 6.306 -14.296 739 HA ILE 89 HA ILE 89 -33.178 3.613 -15.339 740 HB ILE 89 HB ILE 89 -35.198 3.271 -13.981 741 HG12 ILE 89 2HG1 ILE 89 -34.923 6.205 -13.252 742 HG13 ILE 89 3HG1 ILE 89 -36.181 5.532 -14.279 743 HG21 ILE 89 1HG2 ILE 89 -33.009 2.994 -12.946 744 HG22 ILE 89 2HG2 ILE 89 -34.171 3.625 -11.780 745 HG23 ILE 89 3HG2 ILE 89 -32.979 4.703 -12.506 746 HD11 ILE 89 3HD1 ILE 89 -36.981 4.185 -12.392 747 HD12 ILE 89 1HD1 ILE 89 -37.022 5.916 -12.053 748 HD13 ILE 89 2HD1 ILE 89 -35.743 4.915 -11.367 749 H VAL 90 H VAL 90 -35.005 2.614 -16.429 750 HA VAL 90 HA VAL 90 -35.898 4.192 -18.652 751 HB VAL 90 HB VAL 90 -35.290 1.742 -18.758 752 HG11 VAL 90 1HG1 VAL 90 -37.025 0.094 -18.212 753 HG12 VAL 90 2HG1 VAL 90 -38.013 1.375 -17.506 754 HG13 VAL 90 3HG1 VAL 90 -36.459 0.957 -16.784 755 HG21 VAL 90 3HG2 VAL 90 -36.433 2.854 -20.604 756 HG22 VAL 90 1HG2 VAL 90 -37.998 2.516 -19.860 757 HG23 VAL 90 2HG2 VAL 90 -36.990 1.189 -20.439 758 H GLN 91 H GLN 91 -38.230 4.261 -19.330 759 HA GLN 91 HA GLN 91 -39.881 5.099 -17.078 760 HB2 GLN 91 2HB GLN 91 -39.640 6.565 -19.052 761 HB3 GLN 91 3HB GLN 91 -40.386 5.325 -20.053 762 HG2 GLN 91 2HG GLN 91 -42.468 5.543 -18.840 763 HG3 GLN 91 3HG GLN 91 -41.732 6.698 -17.729 764 HE21 GLN 91 1HE2 GLN 91 -44.038 6.993 -19.509 765 HE22 GLN 91 2HE2 GLN 91 -43.681 8.352 -20.511 Start of MODEL 19 1 H1 MET 1 1H MET 1 0.816 -57.428 11.745 2 H2 MET 1 2H MET 1 -0.557 -58.407 11.767 3 H3 MET 1 3H MET 1 0.297 -58.116 13.199 4 HA MET 1 HA MET 1 -1.170 -56.093 11.606 5 HB2 MET 1 2HB MET 1 -1.800 -57.260 14.332 6 HB3 MET 1 3HB MET 1 -2.728 -56.016 13.503 7 HG2 MET 1 2HG MET 1 -2.364 -58.869 12.601 8 HG3 MET 1 3HG MET 1 -3.817 -58.170 13.314 9 HE1 MET 1 3HE MET 1 -3.759 -59.812 10.579 10 HE2 MET 1 1HE MET 1 -4.814 -58.833 9.563 11 HE3 MET 1 2HE MET 1 -5.241 -59.132 11.246 12 H GLY 2 H GLY 2 0.200 -54.343 11.655 13 HA2 GLY 2 2HA GLY 2 0.407 -52.695 13.831 14 HA3 GLY 2 3HA GLY 2 1.815 -53.736 13.963 15 H HIS 3 H HIS 3 2.322 -51.146 13.785 16 HA HIS 3 HA HIS 3 3.498 -50.857 11.090 17 HB2 HIS 3 2HB HIS 3 2.274 -48.592 12.701 18 HB3 HIS 3 3HB HIS 3 3.049 -48.450 11.127 19 HD1 HIS 3 HD1 HIS 3 -0.174 -49.050 12.725 20 HD2 HIS 3 HD2 HIS 3 1.515 -49.707 8.985 21 HE1 HIS 3 HE1 HIS 3 -2.108 -49.433 11.174 22 HE2 HIS 3 HE2 HIS 3 -1.071 -49.708 8.900 23 H HIS 4 H HIS 4 5.331 -49.210 11.115 24 HA HIS 4 HA HIS 4 6.925 -49.501 13.550 25 HB2 HIS 4 2HB HIS 4 7.664 -48.389 10.831 26 HB3 HIS 4 3HB HIS 4 8.777 -48.563 12.185 27 HD1 HIS 4 HD1 HIS 4 8.412 -51.322 13.160 28 HD2 HIS 4 HD2 HIS 4 8.156 -50.422 9.111 29 HE1 HIS 4 HE1 HIS 4 8.883 -53.472 11.965 30 HE2 HIS 4 HE2 HIS 4 8.505 -52.950 9.536 31 H HIS 5 H HIS 5 7.487 -47.854 14.898 32 HA HIS 5 HA HIS 5 5.802 -45.480 14.673 33 HB2 HIS 5 2HB HIS 5 5.619 -46.734 16.724 34 HB3 HIS 5 3HB HIS 5 7.359 -46.664 16.979 35 HD1 HIS 5 HD1 HIS 5 8.114 -44.894 18.519 36 HD2 HIS 5 HD2 HIS 5 4.420 -43.989 16.841 37 HE1 HIS 5 HE1 HIS 5 7.370 -42.778 19.634 38 HE2 HIS 5 HE2 HIS 5 5.187 -42.188 18.535 39 H HIS 6 H HIS 6 6.488 -43.421 14.547 40 HA HIS 6 HA HIS 6 9.347 -42.802 14.982 41 HB2 HIS 6 2HB HIS 6 7.400 -41.580 13.005 42 HB3 HIS 6 3HB HIS 6 8.937 -40.828 13.424 43 HD1 HIS 6 HD1 HIS 6 11.019 -41.721 12.287 44 HD2 HIS 6 HD2 HIS 6 7.652 -44.047 11.559 45 HE1 HIS 6 HE1 HIS 6 11.704 -43.357 10.514 46 HE2 HIS 6 HE2 HIS 6 9.701 -44.845 10.201 47 H HIS 7 H HIS 7 9.779 -40.848 16.176 48 HA HIS 7 HA HIS 7 7.431 -39.964 17.756 49 HB2 HIS 7 2HB HIS 7 8.858 -41.597 18.961 50 HB3 HIS 7 3HB HIS 7 10.225 -40.503 18.795 51 HD1 HIS 7 HD1 HIS 7 10.351 -38.520 20.392 52 HD2 HIS 7 HD2 HIS 7 6.887 -40.767 20.843 53 HE1 HIS 7 HE1 HIS 7 9.296 -37.705 22.515 54 HE2 HIS 7 HE2 HIS 7 7.135 -38.971 22.690 55 H HIS 8 H HIS 8 9.967 -38.853 15.796 56 HA HIS 8 HA HIS 8 10.552 -36.474 17.336 57 HB2 HIS 8 2HB HIS 8 12.261 -37.654 15.939 58 HB3 HIS 8 3HB HIS 8 11.410 -37.090 14.505 59 HD1 HIS 8 HD1 HIS 8 11.858 -34.715 13.754 60 HD2 HIS 8 HD2 HIS 8 13.507 -35.578 17.465 61 HE1 HIS 8 HE1 HIS 8 13.313 -32.749 14.315 62 HE2 HIS 8 HE2 HIS 8 14.396 -33.354 16.501 63 H SER 9 H SER 9 8.602 -35.341 17.499 64 HA SER 9 HA SER 9 8.150 -33.455 15.397 65 HB2 SER 9 2HB SER 9 6.812 -35.316 14.479 66 HB3 SER 9 3HB SER 9 5.880 -35.388 15.974 67 HG SER 9 HG SER 9 4.879 -34.161 14.247 68 H HIS 10 H HIS 10 7.597 -31.570 16.313 69 HA HIS 10 HA HIS 10 6.278 -31.603 18.962 70 HB2 HIS 10 2HB HIS 10 8.478 -29.782 17.961 71 HB3 HIS 10 3HB HIS 10 7.563 -29.483 19.432 72 HD1 HIS 10 HD1 HIS 10 8.291 -30.673 21.508 73 HD2 HIS 10 HD2 HIS 10 10.159 -32.142 18.099 74 HE1 HIS 10 HE1 HIS 10 10.083 -32.225 22.337 75 HE2 HIS 10 HE2 HIS 10 11.082 -33.218 20.257 76 H MET 11 H MET 11 4.580 -30.230 19.293 77 HA MET 11 HA MET 11 3.477 -28.741 17.081 78 HB2 MET 11 2HB MET 11 2.092 -29.948 18.794 79 HB3 MET 11 3HB MET 11 2.598 -28.760 19.985 80 HG2 MET 11 2HG MET 11 1.538 -26.991 18.664 81 HG3 MET 11 3HG MET 11 1.028 -28.187 17.476 82 HE1 MET 11 3HE MET 11 -0.585 -27.913 21.791 83 HE2 MET 11 1HE MET 11 0.586 -26.799 21.091 84 HE3 MET 11 2HE MET 11 1.058 -28.460 21.448 85 H ALA 12 H ALA 12 5.802 -27.602 17.198 86 HA ALA 12 HA ALA 12 5.876 -25.399 19.128 87 HB1 ALA 12 3HB ALA 12 8.165 -25.062 18.396 88 HB2 ALA 12 1HB ALA 12 7.952 -26.252 17.111 89 HB3 ALA 12 2HB ALA 12 7.892 -26.757 18.800 90 H LYS 13 H LYS 13 4.250 -25.654 16.400 91 HA LYS 13 HA LYS 13 5.119 -23.117 15.195 92 HB2 LYS 13 2HB LYS 13 3.003 -25.028 14.164 93 HB3 LYS 13 3HB LYS 13 3.709 -23.669 13.300 94 HG2 LYS 13 2HG LYS 13 4.868 -25.411 12.366 95 HG3 LYS 13 3HG LYS 13 5.955 -24.971 13.682 96 HD2 LYS 13 2HD LYS 13 5.754 -27.360 13.675 97 HD3 LYS 13 3HD LYS 13 4.864 -26.757 15.077 98 HE2 LYS 13 2HE LYS 13 2.766 -26.894 13.733 99 HE3 LYS 13 3HE LYS 13 3.693 -27.631 12.427 100 HZ1 LYS 13 3HZ LYS 13 4.292 -29.423 14.030 101 HZ2 LYS 13 1HZ LYS 13 2.640 -29.337 13.669 102 HZ3 LYS 13 2HZ LYS 13 3.211 -28.737 15.136 103 HA PRO 14 HA PRO 14 2.116 -20.661 17.368 104 HB2 PRO 14 2HB PRO 14 1.840 -19.349 14.684 105 HB3 PRO 14 3HB PRO 14 2.058 -18.616 16.279 106 HG2 PRO 14 2HG PRO 14 4.113 -18.798 14.615 107 HG3 PRO 14 3HG PRO 14 4.337 -19.129 16.346 108 HD2 PRO 14 2HD PRO 14 4.181 -21.039 14.050 109 HD3 PRO 14 3HD PRO 14 5.158 -21.129 15.529 110 H THR 15 H THR 15 -0.163 -19.976 17.278 111 HA THR 15 HA THR 15 -1.866 -22.099 16.887 112 HB THR 15 HB THR 15 -2.504 -20.247 18.310 113 HG1 THR 15 HG1 THR 15 -4.708 -20.009 17.526 114 HG21 THR 15 3HG2 THR 15 -3.303 -18.115 17.392 115 HG22 THR 15 1HG2 THR 15 -2.865 -18.646 15.766 116 HG23 THR 15 2HG2 THR 15 -1.608 -18.390 16.980 117 H ALA 16 H ALA 16 -2.896 -23.022 15.245 118 HA ALA 16 HA ALA 16 -2.645 -22.041 12.556 119 HB1 ALA 16 3HB ALA 16 -3.876 -24.047 11.926 120 HB2 ALA 16 1HB ALA 16 -4.276 -24.351 13.618 121 HB3 ALA 16 2HB ALA 16 -2.597 -24.435 13.079 122 H ARG 17 H ARG 17 -5.036 -21.744 15.047 123 HA ARG 17 HA ARG 17 -7.102 -20.861 13.154 124 HB2 ARG 17 2HB ARG 17 -7.279 -21.234 16.163 125 HB3 ARG 17 3HB ARG 17 -8.610 -20.786 15.110 126 HG2 ARG 17 2HG ARG 17 -8.883 -23.082 15.552 127 HG3 ARG 17 3HG ARG 17 -8.243 -22.986 13.910 128 HD2 ARG 17 2HD ARG 17 -6.014 -23.510 14.723 129 HD3 ARG 17 3HD ARG 17 -6.601 -23.522 16.385 130 HE ARG 17 HE ARG 17 -7.971 -25.391 14.697 131 HH11 ARG 17 1HH1 ARG 17 -5.163 -24.877 16.621 132 HH12 ARG 17 2HH1 ARG 17 -4.922 -26.564 16.913 133 HH21 ARG 17 1HH2 ARG 17 -7.641 -27.572 15.095 134 HH22 ARG 17 2HH2 ARG 17 -6.298 -28.058 16.075 135 H GLY 18 H GLY 18 -6.348 -18.862 12.478 136 HA2 GLY 18 2HA GLY 18 -6.795 -16.654 14.277 137 HA3 GLY 18 3HA GLY 18 -5.096 -16.871 13.885 138 H GLU 19 H GLU 19 -8.058 -17.167 11.913 139 HA GLU 19 HA GLU 19 -6.837 -15.556 9.819 140 HB2 GLU 19 2HB GLU 19 -9.498 -16.984 9.993 141 HB3 GLU 19 3HB GLU 19 -8.988 -16.044 8.599 142 HG2 GLU 19 2HG GLU 19 -7.080 -17.545 8.282 143 HG3 GLU 19 3HG GLU 19 -7.597 -18.491 9.680 144 H ALA 20 H ALA 20 -6.832 -13.413 10.225 145 HA ALA 20 HA ALA 20 -9.422 -12.116 10.760 146 HB1 ALA 20 3HB ALA 20 -8.369 -10.553 12.313 147 HB2 ALA 20 1HB ALA 20 -6.827 -11.391 12.128 148 HB3 ALA 20 2HB ALA 20 -8.194 -12.214 12.877 149 H GLY 21 H GLY 21 -9.093 -9.601 10.478 150 HA2 GLY 21 2HA GLY 21 -8.043 -7.826 9.295 151 HA3 GLY 21 3HA GLY 21 -7.186 -9.006 8.319 152 H SER 22 H SER 22 -8.656 -6.708 7.385 153 HA SER 22 HA SER 22 -11.124 -7.586 6.208 154 HB2 SER 22 2HB SER 22 -10.721 -5.211 6.662 155 HB3 SER 22 3HB SER 22 -9.369 -5.208 5.530 156 HG SER 22 HG SER 22 -11.531 -4.443 4.772 157 H ARG 23 H ARG 23 -11.215 -7.004 3.637 158 HA ARG 23 HA ARG 23 -10.179 -9.248 2.342 159 HB2 ARG 23 2HB ARG 23 -12.127 -7.806 1.617 160 HB3 ARG 23 3HB ARG 23 -10.955 -6.657 0.988 161 HG2 ARG 23 2HG ARG 23 -10.087 -8.406 -0.523 162 HG3 ARG 23 3HG ARG 23 -11.324 -9.512 0.082 163 HD2 ARG 23 2HD ARG 23 -13.043 -7.815 -0.645 164 HD3 ARG 23 3HD ARG 23 -11.738 -6.948 -1.456 165 HE ARG 23 HE ARG 23 -12.206 -9.760 -2.134 166 HH11 ARG 23 1HH1 ARG 23 -12.309 -6.441 -3.066 167 HH12 ARG 23 2HH1 ARG 23 -12.606 -6.809 -4.725 168 HH21 ARG 23 1HH2 ARG 23 -12.637 -10.204 -4.249 169 HH22 ARG 23 2HH2 ARG 23 -12.792 -8.911 -5.388 170 H ASP 24 H ASP 24 -9.132 -5.850 1.946 171 HA ASP 24 HA ASP 24 -6.864 -6.364 0.377 172 HB2 ASP 24 2HB ASP 24 -7.276 -4.062 2.307 173 HB3 ASP 24 3HB ASP 24 -6.178 -4.090 0.929 174 H GLU 25 H GLU 25 -7.283 -6.363 3.872 175 HA GLU 25 HA GLU 25 -4.563 -6.408 4.626 176 HB2 GLU 25 2HB GLU 25 -7.040 -7.438 6.024 177 HB3 GLU 25 3HB GLU 25 -5.447 -7.433 6.767 178 HG2 GLU 25 2HG GLU 25 -6.806 -4.949 5.736 179 HG3 GLU 25 3HG GLU 25 -6.947 -5.522 7.396 180 H ARG 26 H ARG 26 -6.874 -9.127 4.142 181 HA ARG 26 HA ARG 26 -5.024 -11.181 4.667 182 HB2 ARG 26 2HB ARG 26 -7.509 -11.188 2.951 183 HB3 ARG 26 3HB ARG 26 -6.563 -12.634 3.276 184 HG2 ARG 26 2HG ARG 26 -6.943 -12.143 5.751 185 HG3 ARG 26 3HG ARG 26 -8.149 -10.968 5.218 186 HD2 ARG 26 2HD ARG 26 -9.344 -12.748 4.013 187 HD3 ARG 26 3HD ARG 26 -8.145 -13.921 4.556 188 HE ARG 26 HE ARG 26 -9.767 -12.429 6.506 189 HH11 ARG 26 1HH1 ARG 26 -8.698 -15.440 5.183 190 HH12 ARG 26 2HH1 ARG 26 -9.556 -16.378 6.357 191 HH21 ARG 26 1HH2 ARG 26 -10.865 -13.648 7.987 192 HH22 ARG 26 2HH2 ARG 26 -10.772 -15.376 7.919 193 H ARG 27 H ARG 27 -5.578 -9.285 1.770 194 HA ARG 27 HA ARG 27 -3.926 -10.852 0.040 195 HB2 ARG 27 2HB ARG 27 -4.737 -7.932 -0.116 196 HB3 ARG 27 3HB ARG 27 -3.920 -8.811 -1.401 197 HG2 ARG 27 2HG ARG 27 -6.571 -9.707 -0.297 198 HG3 ARG 27 3HG ARG 27 -6.447 -8.517 -1.591 199 HD2 ARG 27 2HD ARG 27 -6.829 -10.822 -2.416 200 HD3 ARG 27 3HD ARG 27 -5.334 -10.114 -3.020 201 HE ARG 27 HE ARG 27 -4.123 -11.526 -1.497 202 HH11 ARG 27 1HH1 ARG 27 -7.453 -12.314 -1.886 203 HH12 ARG 27 2HH1 ARG 27 -7.252 -13.929 -1.308 204 HH21 ARG 27 1HH2 ARG 27 -3.882 -13.588 -0.740 205 HH22 ARG 27 2HH2 ARG 27 -5.245 -14.646 -0.666 206 H ALA 28 H ALA 28 -3.365 -8.066 2.142 207 HA ALA 28 HA ALA 28 -0.683 -7.554 1.473 208 HB1 ALA 28 3HB ALA 28 -2.096 -6.004 2.761 209 HB2 ALA 28 1HB ALA 28 -0.568 -6.333 3.579 210 HB3 ALA 28 2HB ALA 28 -2.052 -7.113 4.132 211 H LEU 29 H LEU 29 -1.975 -9.445 4.236 212 HA LEU 29 HA LEU 29 0.582 -10.335 5.075 213 HB2 LEU 29 2HB LEU 29 -0.647 -11.908 6.534 214 HB3 LEU 29 3HB LEU 29 -1.182 -10.246 6.670 215 HG LEU 29 HG LEU 29 -3.044 -11.004 4.972 216 HD11 LEU 29 1HD1 LEU 29 -3.743 -13.320 5.280 217 HD12 LEU 29 2HD1 LEU 29 -2.306 -13.635 6.254 218 HD13 LEU 29 3HD1 LEU 29 -2.143 -13.228 4.545 219 HD21 LEU 29 3HD2 LEU 29 -3.466 -10.191 7.231 220 HD22 LEU 29 1HD2 LEU 29 -3.085 -11.784 7.891 221 HD23 LEU 29 2HD2 LEU 29 -4.500 -11.572 6.859 222 H ALA 30 H ALA 30 -1.558 -11.527 2.619 223 HA ALA 30 HA ALA 30 -0.536 -14.148 2.329 224 HB1 ALA 30 3HB ALA 30 -1.613 -12.302 0.190 225 HB2 ALA 30 1HB ALA 30 -2.578 -13.372 1.207 226 HB3 ALA 30 2HB ALA 30 -1.430 -14.050 0.053 227 H MET 31 H MET 31 0.498 -11.040 0.934 228 HA MET 31 HA MET 31 2.938 -12.251 -0.142 229 HB2 MET 31 2HB MET 31 1.899 -9.407 -0.228 230 HB3 MET 31 3HB MET 31 3.393 -9.943 -0.985 231 HG2 MET 31 2HG MET 31 0.643 -10.973 -1.658 232 HG3 MET 31 3HG MET 31 1.523 -9.751 -2.572 233 HE1 MET 31 3HE MET 31 4.573 -11.804 -3.932 234 HE2 MET 31 1HE MET 31 4.527 -10.914 -2.413 235 HE3 MET 31 2HE MET 31 3.792 -10.223 -3.859 236 H LYS 32 H LYS 32 2.070 -11.580 2.809 237 HA LYS 32 HA LYS 32 2.978 -10.938 4.767 238 HB2 LYS 32 2HB LYS 32 5.515 -11.645 3.291 239 HB3 LYS 32 3HB LYS 32 5.431 -11.354 5.027 240 HG2 LYS 32 2HG LYS 32 3.816 -13.220 5.231 241 HG3 LYS 32 3HG LYS 32 4.000 -13.536 3.504 242 HD2 LYS 32 2HD LYS 32 6.217 -13.654 5.559 243 HD3 LYS 32 3HD LYS 32 5.369 -15.048 4.889 244 HE2 LYS 32 2HE LYS 32 6.176 -14.453 2.648 245 HE3 LYS 32 3HE LYS 32 7.029 -13.068 3.327 246 HZ1 LYS 32 3HZ LYS 32 8.409 -14.541 4.595 247 HZ2 LYS 32 1HZ LYS 32 8.467 -15.004 2.970 248 HZ3 LYS 32 2HZ LYS 32 7.543 -15.891 4.069 249 H ILE 33 H ILE 33 2.156 -8.762 3.923 250 HA ILE 33 HA ILE 33 4.272 -6.750 3.781 251 HB ILE 33 HB ILE 33 1.261 -6.476 3.642 252 HG12 ILE 33 2HG1 ILE 33 2.207 -7.584 1.674 253 HG13 ILE 33 3HG1 ILE 33 1.653 -5.968 1.253 254 HG21 ILE 33 1HG2 ILE 33 3.389 -4.373 3.244 255 HG22 ILE 33 2HG2 ILE 33 2.245 -4.459 4.582 256 HG23 ILE 33 3HG2 ILE 33 1.665 -4.155 2.944 257 HD11 ILE 33 3HD1 ILE 33 4.504 -6.808 1.738 258 HD12 ILE 33 1HD1 ILE 33 3.974 -5.166 1.368 259 HD13 ILE 33 2HD1 ILE 33 3.759 -6.452 0.181 260 HA PRO 34 HA PRO 34 3.869 -6.584 8.251 261 HB2 PRO 34 2HB PRO 34 6.156 -5.307 8.784 262 HB3 PRO 34 3HB PRO 34 6.149 -6.962 8.156 263 HG2 PRO 34 2HG PRO 34 6.639 -4.384 6.706 264 HG3 PRO 34 3HG PRO 34 7.489 -5.931 6.556 265 HD2 PRO 34 2HD PRO 34 5.503 -5.057 4.840 266 HD3 PRO 34 3HD PRO 34 5.959 -6.758 5.070 267 H PHE 35 H PHE 35 2.570 -4.399 6.547 268 HA PHE 35 HA PHE 35 2.226 -2.561 8.756 269 HB2 PHE 35 2HB PHE 35 2.512 -0.539 7.194 270 HB3 PHE 35 3HB PHE 35 3.966 -1.320 7.793 271 HD1 PHE 35 HD2 PHE 35 1.885 -0.683 4.840 272 HD2 PHE 35 HD1 PHE 35 5.435 -2.526 6.305 273 HE1 PHE 35 HE2 PHE 35 2.723 -0.904 2.538 274 HE2 PHE 35 HE1 PHE 35 6.276 -2.742 4.006 275 HZ PHE 35 HZ PHE 35 4.919 -1.932 2.116 276 HA PRO 36 HA PRO 36 -1.974 -2.622 7.561 277 HB2 PRO 36 2HB PRO 36 -2.852 -0.145 8.301 278 HB3 PRO 36 3HB PRO 36 -2.446 -1.420 9.454 279 HG2 PRO 36 2HG PRO 36 -0.782 0.902 8.538 280 HG3 PRO 36 3HG PRO 36 -1.029 0.288 10.185 281 HD2 PRO 36 2HD PRO 36 1.186 -0.297 8.771 282 HD3 PRO 36 3HD PRO 36 0.456 -1.470 9.886 283 H THR 37 H THR 37 -3.344 -2.256 5.881 284 HA THR 37 HA THR 37 -2.351 -1.047 3.514 285 HB THR 37 HB THR 37 -4.559 -1.510 2.527 286 HG1 THR 37 HG1 THR 37 -5.472 -2.654 4.930 287 HG21 THR 37 3HG2 THR 37 -2.914 -3.344 2.728 288 HG22 THR 37 1HG2 THR 37 -4.577 -3.929 2.816 289 HG23 THR 37 2HG2 THR 37 -3.617 -3.783 4.285 290 H ASP 38 H ASP 38 -4.797 0.008 5.844 291 HA ASP 38 HA ASP 38 -5.794 2.217 4.474 292 HB2 ASP 38 2HB ASP 38 -6.394 3.058 6.805 293 HB3 ASP 38 3HB ASP 38 -6.994 1.462 6.364 294 H LYS 39 H LYS 39 -2.965 2.051 6.644 295 HA LYS 39 HA LYS 39 -2.364 4.795 6.679 296 HB2 LYS 39 2HB LYS 39 -1.270 3.256 8.213 297 HB3 LYS 39 3HB LYS 39 -0.487 2.425 6.873 298 HG2 LYS 39 2HG LYS 39 0.832 4.389 6.369 299 HG3 LYS 39 3HG LYS 39 -0.024 5.315 7.603 300 HD2 LYS 39 2HD LYS 39 1.644 2.855 8.166 301 HD3 LYS 39 3HD LYS 39 2.232 4.514 8.307 302 HE2 LYS 39 2HE LYS 39 0.471 4.966 9.981 303 HE3 LYS 39 3HE LYS 39 -0.042 3.282 9.874 304 HZ1 LYS 39 3HZ LYS 39 1.413 3.650 11.767 305 HZ2 LYS 39 1HZ LYS 39 2.639 4.216 10.747 306 HZ3 LYS 39 2HZ LYS 39 2.135 2.605 10.656 307 H ILE 40 H ILE 40 -1.243 2.248 4.469 308 HA ILE 40 HA ILE 40 0.481 3.621 2.811 309 HB ILE 40 HB ILE 40 -1.606 1.610 1.916 310 HG12 ILE 40 2HG1 ILE 40 1.239 1.079 2.821 311 HG13 ILE 40 3HG1 ILE 40 -0.174 0.860 3.848 312 HG21 ILE 40 1HG2 ILE 40 1.033 2.407 0.675 313 HG22 ILE 40 2HG2 ILE 40 -0.577 2.734 0.032 314 HG23 ILE 40 3HG2 ILE 40 0.011 1.075 0.128 315 HD11 ILE 40 3HD1 ILE 40 0.552 -1.252 2.925 316 HD12 ILE 40 1HD1 ILE 40 0.405 -0.616 1.287 317 HD13 ILE 40 2HD1 ILE 40 -1.032 -0.819 2.285 318 H VAL 41 H VAL 41 -3.042 3.572 2.719 319 HA VAL 41 HA VAL 41 -3.383 5.015 0.303 320 HB VAL 41 HB VAL 41 -5.294 4.696 2.628 321 HG11 VAL 41 1HG1 VAL 41 -5.839 5.438 -0.251 322 HG12 VAL 41 2HG1 VAL 41 -5.974 6.512 1.142 323 HG13 VAL 41 3HG1 VAL 41 -7.063 5.133 0.981 324 HG21 VAL 41 3HG2 VAL 41 -4.524 2.545 1.766 325 HG22 VAL 41 1HG2 VAL 41 -4.966 3.028 0.128 326 HG23 VAL 41 2HG2 VAL 41 -6.216 2.813 1.353 327 H ASN 42 H ASN 42 -3.003 6.051 3.648 328 HA ASN 42 HA ASN 42 -3.807 8.786 2.980 329 HB2 ASN 42 2HB ASN 42 -3.215 7.437 5.615 330 HB3 ASN 42 3HB ASN 42 -3.541 9.163 5.467 331 HD21 ASN 42 1HD2 ASN 42 -4.885 5.982 5.339 332 HD22 ASN 42 2HD2 ASN 42 -6.538 6.472 5.271 333 H LEU 43 H LEU 43 -0.936 7.058 2.976 334 HA LEU 43 HA LEU 43 0.789 9.185 3.890 335 HB2 LEU 43 2HB LEU 43 1.368 6.609 2.421 336 HB3 LEU 43 3HB LEU 43 2.614 7.740 2.922 337 HG LEU 43 HG LEU 43 0.753 6.222 4.764 338 HD11 LEU 43 1HD1 LEU 43 2.781 5.044 5.464 339 HD12 LEU 43 2HD1 LEU 43 3.709 5.910 4.239 340 HD13 LEU 43 3HD1 LEU 43 2.435 4.789 3.755 341 HD21 LEU 43 3HD2 LEU 43 3.004 8.127 5.413 342 HD22 LEU 43 1HD2 LEU 43 2.124 7.139 6.580 343 HD23 LEU 43 2HD2 LEU 43 1.285 8.405 5.688 344 HA PRO 44 HA PRO 44 1.179 11.286 -0.090 345 HB2 PRO 44 2HB PRO 44 3.420 12.717 0.441 346 HB3 PRO 44 3HB PRO 44 1.848 13.139 1.131 347 HG2 PRO 44 2HG PRO 44 4.119 11.629 2.382 348 HG3 PRO 44 3HG PRO 44 3.116 12.917 3.078 349 HD2 PRO 44 2HD PRO 44 2.692 10.283 3.602 350 HD3 PRO 44 3HD PRO 44 1.377 11.476 3.559 351 H VAL 45 H VAL 45 2.592 11.184 -1.962 352 HA VAL 45 HA VAL 45 3.712 8.698 -2.409 353 HB VAL 45 HB VAL 45 3.020 10.222 -4.217 354 HG11 VAL 45 1HG1 VAL 45 4.513 11.984 -5.009 355 HG12 VAL 45 2HG1 VAL 45 5.597 11.689 -3.648 356 HG13 VAL 45 3HG1 VAL 45 3.967 12.303 -3.363 357 HG21 VAL 45 3HG2 VAL 45 4.800 9.648 -5.806 358 HG22 VAL 45 1HG2 VAL 45 4.413 8.292 -4.746 359 HG23 VAL 45 2HG2 VAL 45 5.870 9.245 -4.462 360 H ASP 46 H ASP 46 5.361 11.611 -1.247 361 HA ASP 46 HA ASP 46 8.014 10.781 -1.428 362 HB2 ASP 46 2HB ASP 46 6.669 12.471 0.694 363 HB3 ASP 46 3HB ASP 46 8.413 12.308 0.522 364 H ASP 47 H ASP 47 5.995 10.552 1.520 365 HA ASP 47 HA ASP 47 7.745 8.795 2.875 366 HB2 ASP 47 2HB ASP 47 4.832 9.472 3.298 367 HB3 ASP 47 3HB ASP 47 5.742 8.424 4.386 368 H PHE 48 H PHE 48 5.189 8.207 0.579 369 HA PHE 48 HA PHE 48 4.822 5.439 1.005 370 HB2 PHE 48 2HB PHE 48 3.314 6.761 -0.408 371 HB3 PHE 48 3HB PHE 48 4.618 7.071 -1.547 372 HD1 PHE 48 HD2 PHE 48 2.476 4.394 -0.131 373 HD2 PHE 48 HD1 PHE 48 5.081 5.564 -3.293 374 HE1 PHE 48 HE2 PHE 48 1.842 2.382 -1.397 375 HE2 PHE 48 HE1 PHE 48 4.446 3.558 -4.562 376 HZ PHE 48 HZ PHE 48 2.825 1.963 -3.616 377 H ASN 49 H ASN 49 7.023 7.194 -1.184 378 HA ASN 49 HA ASN 49 8.429 4.978 -2.189 379 HB2 ASN 49 2HB ASN 49 9.326 7.842 -1.761 380 HB3 ASN 49 3HB ASN 49 10.248 6.647 -2.667 381 HD21 ASN 49 1HD2 ASN 49 9.026 9.185 -3.505 382 HD22 ASN 49 2HD2 ASN 49 7.984 8.783 -4.823 383 H GLU 50 H GLU 50 9.117 7.070 0.613 384 HA GLU 50 HA GLU 50 11.440 5.774 1.506 385 HB2 GLU 50 2HB GLU 50 9.328 7.225 3.121 386 HB3 GLU 50 3HB GLU 50 10.914 6.768 3.730 387 HG2 GLU 50 2HG GLU 50 10.353 8.695 1.479 388 HG3 GLU 50 3HG GLU 50 10.868 9.111 3.113 389 H LEU 51 H LEU 51 8.032 5.083 2.170 390 HA LEU 51 HA LEU 51 8.331 3.152 4.172 391 HB2 LEU 51 2HB LEU 51 6.191 4.206 3.475 392 HB3 LEU 51 3HB LEU 51 6.234 3.268 1.996 393 HG LEU 51 HG LEU 51 6.114 1.182 3.385 394 HD11 LEU 51 1HD1 LEU 51 5.404 1.372 5.721 395 HD12 LEU 51 2HD1 LEU 51 5.581 3.125 5.636 396 HD13 LEU 51 3HD1 LEU 51 6.999 2.087 5.476 397 HD21 LEU 51 3HD2 LEU 51 3.736 1.360 3.841 398 HD22 LEU 51 1HD2 LEU 51 4.119 2.176 2.326 399 HD23 LEU 51 2HD2 LEU 51 3.830 3.119 3.789 400 H LEU 52 H LEU 52 8.037 2.685 0.642 401 HA LEU 52 HA LEU 52 8.411 -0.118 0.671 402 HB2 LEU 52 2HB LEU 52 8.898 1.885 -1.540 403 HB3 LEU 52 3HB LEU 52 8.874 0.144 -1.760 404 HG LEU 52 HG LEU 52 6.530 1.838 -0.867 405 HD11 LEU 52 1HD1 LEU 52 7.060 0.423 -3.481 406 HD12 LEU 52 2HD1 LEU 52 7.065 2.166 -3.221 407 HD13 LEU 52 3HD1 LEU 52 5.567 1.254 -3.045 408 HD21 LEU 52 3HD2 LEU 52 6.695 -1.125 -1.441 409 HD22 LEU 52 1HD2 LEU 52 5.223 -0.222 -1.079 410 HD23 LEU 52 2HD2 LEU 52 6.479 -0.384 0.147 411 H ALA 53 H ALA 53 10.696 2.526 0.653 412 HA ALA 53 HA ALA 53 12.965 0.880 -0.033 413 HB1 ALA 53 3HB ALA 53 14.293 2.881 0.350 414 HB2 ALA 53 1HB ALA 53 12.897 3.691 1.059 415 HB3 ALA 53 2HB ALA 53 12.887 3.251 -0.648 416 H ARG 54 H ARG 54 11.469 2.023 2.942 417 HA ARG 54 HA ARG 54 13.603 1.419 4.707 418 HB2 ARG 54 2HB ARG 54 10.625 1.678 5.137 419 HB3 ARG 54 3HB ARG 54 11.733 1.320 6.456 420 HG2 ARG 54 2HG ARG 54 12.904 3.406 6.085 421 HG3 ARG 54 3HG ARG 54 11.888 3.760 4.690 422 HD2 ARG 54 2HD ARG 54 11.153 5.011 6.648 423 HD3 ARG 54 3HD ARG 54 9.920 3.864 6.130 424 HE ARG 54 HE ARG 54 10.719 2.418 7.984 425 HH11 ARG 54 1HH1 ARG 54 11.298 5.817 8.121 426 HH12 ARG 54 2HH1 ARG 54 11.390 5.828 9.849 427 HH21 ARG 54 1HH2 ARG 54 10.816 2.469 10.199 428 HH22 ARG 54 2HH2 ARG 54 11.114 3.973 11.006 429 H TYR 55 H TYR 55 10.652 -0.446 3.939 430 HA TYR 55 HA TYR 55 11.681 -2.784 5.303 431 HB2 TYR 55 2HB TYR 55 9.164 -2.369 3.667 432 HB3 TYR 55 3HB TYR 55 9.553 -3.847 4.543 433 HD1 TYR 55 HD2 TYR 55 8.535 -0.330 4.872 434 HD2 TYR 55 HD1 TYR 55 9.412 -3.934 6.967 435 HE1 TYR 55 HE2 TYR 55 7.506 0.600 6.899 436 HE2 TYR 55 HE1 TYR 55 8.383 -3.010 9.000 437 HH TYR 55 HH TYR 55 7.832 -0.863 9.978 438 HA PRO 56 HA PRO 56 13.774 -4.406 1.722 439 HB2 PRO 56 2HB PRO 56 14.290 -6.904 2.616 440 HB3 PRO 56 3HB PRO 56 15.098 -5.480 3.285 441 HG2 PRO 56 2HG PRO 56 12.745 -7.000 4.367 442 HG3 PRO 56 3HG PRO 56 14.185 -6.417 5.224 443 HD2 PRO 56 2HD PRO 56 11.810 -5.097 5.268 444 HD3 PRO 56 3HD PRO 56 13.372 -4.261 5.382 445 H LEU 57 H LEU 57 11.060 -4.290 1.192 446 HA LEU 57 HA LEU 57 9.938 -6.872 0.625 447 HB2 LEU 57 2HB LEU 57 9.090 -4.168 -0.453 448 HB3 LEU 57 3HB LEU 57 8.136 -5.640 -0.444 449 HG LEU 57 HG LEU 57 9.001 -4.121 2.024 450 HD11 LEU 57 1HD1 LEU 57 6.291 -4.308 0.707 451 HD12 LEU 57 2HD1 LEU 57 7.348 -2.896 0.700 452 HD13 LEU 57 3HD1 LEU 57 6.661 -3.475 2.218 453 HD21 LEU 57 3HD2 LEU 57 7.489 -5.613 3.226 454 HD22 LEU 57 1HD2 LEU 57 8.768 -6.525 2.426 455 HD23 LEU 57 2HD2 LEU 57 7.145 -6.487 1.734 456 H THR 58 H THR 58 9.916 -7.999 -1.302 457 HA THR 58 HA THR 58 11.719 -7.203 -3.419 458 HB THR 58 HB THR 58 10.945 -9.236 -4.595 459 HG1 THR 58 HG1 THR 58 8.975 -9.840 -4.114 460 HG21 THR 58 3HG2 THR 58 11.618 -9.657 -1.678 461 HG22 THR 58 1HG2 THR 58 12.762 -9.482 -3.011 462 HG23 THR 58 2HG2 THR 58 11.716 -10.900 -2.927 463 H GLU 59 H GLU 59 11.024 -6.973 -5.692 464 HA GLU 59 HA GLU 59 9.300 -4.865 -6.063 465 HB2 GLU 59 2HB GLU 59 10.124 -6.996 -8.042 466 HB3 GLU 59 3HB GLU 59 9.299 -5.508 -8.496 467 HG2 GLU 59 2HG GLU 59 11.141 -4.179 -7.708 468 HG3 GLU 59 3HG GLU 59 11.944 -5.606 -7.056 469 H SER 60 H SER 60 8.476 -8.297 -6.182 470 HA SER 60 HA SER 60 5.844 -8.091 -7.145 471 HB2 SER 60 2HB SER 60 5.459 -10.267 -6.013 472 HB3 SER 60 3HB SER 60 6.971 -10.250 -6.919 473 HG SER 60 HG SER 60 7.186 -11.160 -4.804 474 H GLN 61 H GLN 61 7.087 -7.912 -3.817 475 HA GLN 61 HA GLN 61 4.566 -7.572 -2.562 476 HB2 GLN 61 2HB GLN 61 7.317 -6.747 -1.600 477 HB3 GLN 61 3HB GLN 61 5.870 -6.821 -0.598 478 HG2 GLN 61 2HG GLN 61 5.721 -9.234 -0.982 479 HG3 GLN 61 3HG GLN 61 7.156 -9.161 -2.005 480 HE21 GLN 61 1HE2 GLN 61 5.959 -9.058 1.255 481 HE22 GLN 61 2HE2 GLN 61 7.499 -9.167 2.029 482 H LEU 62 H LEU 62 7.020 -5.213 -3.671 483 HA LEU 62 HA LEU 62 5.672 -2.881 -2.877 484 HB2 LEU 62 2HB LEU 62 7.532 -3.367 -5.209 485 HB3 LEU 62 3HB LEU 62 6.867 -1.786 -4.852 486 HG LEU 62 HG LEU 62 7.941 -2.044 -2.525 487 HD11 LEU 62 1HD1 LEU 62 9.495 -4.167 -3.977 488 HD12 LEU 62 2HD1 LEU 62 8.383 -4.426 -2.633 489 HD13 LEU 62 3HD1 LEU 62 9.865 -3.503 -2.388 490 HD21 LEU 62 3HD2 LEU 62 10.101 -1.234 -3.336 491 HD22 LEU 62 1HD2 LEU 62 8.770 -0.500 -4.230 492 HD23 LEU 62 2HD2 LEU 62 9.715 -1.799 -4.960 493 H ALA 63 H ALA 63 5.388 -4.784 -5.867 494 HA ALA 63 HA ALA 63 3.628 -3.172 -7.294 495 HB1 ALA 63 3HB ALA 63 2.966 -5.193 -8.494 496 HB2 ALA 63 1HB ALA 63 3.685 -6.190 -7.228 497 HB3 ALA 63 2HB ALA 63 4.710 -5.163 -8.230 498 H LEU 64 H LEU 64 2.926 -5.492 -4.708 499 HA LEU 64 HA LEU 64 0.092 -5.256 -4.848 500 HB2 LEU 64 2HB LEU 64 1.163 -7.137 -3.719 501 HB3 LEU 64 3HB LEU 64 1.872 -6.050 -2.539 502 HG LEU 64 HG LEU 64 -0.419 -5.465 -1.750 503 HD11 LEU 64 1HD1 LEU 64 -1.300 -7.680 -3.605 504 HD12 LEU 64 2HD1 LEU 64 -1.659 -5.963 -3.792 505 HD13 LEU 64 3HD1 LEU 64 -2.312 -6.853 -2.418 506 HD21 LEU 64 3HD2 LEU 64 0.248 -8.407 -1.675 507 HD22 LEU 64 1HD2 LEU 64 -0.830 -7.562 -0.564 508 HD23 LEU 64 2HD2 LEU 64 0.889 -7.170 -0.593 509 H VAL 65 H VAL 65 2.501 -3.734 -2.686 510 HA VAL 65 HA VAL 65 0.768 -2.183 -1.157 511 HB VAL 65 HB VAL 65 3.587 -1.454 -2.000 512 HG11 VAL 65 1HG1 VAL 65 2.440 0.454 -1.034 513 HG12 VAL 65 2HG1 VAL 65 3.648 -0.158 0.097 514 HG13 VAL 65 3HG1 VAL 65 1.940 -0.517 0.351 515 HG21 VAL 65 3HG2 VAL 65 2.620 -3.030 0.394 516 HG22 VAL 65 1HG2 VAL 65 4.287 -2.539 0.090 517 HG23 VAL 65 2HG2 VAL 65 3.492 -3.679 -0.996 518 H ARG 66 H ARG 66 2.388 -1.307 -4.204 519 HA ARG 66 HA ARG 66 1.418 1.292 -4.510 520 HB2 ARG 66 2HB ARG 66 1.930 -0.754 -6.687 521 HB3 ARG 66 3HB ARG 66 1.829 0.986 -6.918 522 HG2 ARG 66 2HG ARG 66 3.841 1.357 -5.704 523 HG3 ARG 66 3HG ARG 66 3.881 -0.313 -5.137 524 HD2 ARG 66 2HD ARG 66 5.487 -0.107 -6.897 525 HD3 ARG 66 3HD ARG 66 4.126 -1.039 -7.521 526 HE ARG 66 HE ARG 66 4.599 1.813 -8.115 527 HH11 ARG 66 1HH1 ARG 66 3.433 -1.296 -9.047 528 HH12 ARG 66 2HH1 ARG 66 3.092 -0.797 -10.664 529 HH21 ARG 66 1HH2 ARG 66 4.138 2.427 -10.199 530 HH22 ARG 66 2HH2 ARG 66 3.471 1.272 -11.302 531 H ASP 67 H ASP 67 -0.048 -1.796 -5.443 532 HA ASP 67 HA ASP 67 -2.367 -0.727 -6.667 533 HB2 ASP 67 2HB ASP 67 -1.532 -3.060 -6.969 534 HB3 ASP 67 3HB ASP 67 -2.028 -3.421 -5.319 535 H ILE 68 H ILE 68 -1.671 -1.786 -3.349 536 HA ILE 68 HA ILE 68 -4.207 -1.540 -2.217 537 HB ILE 68 HB ILE 68 -1.505 -1.014 -0.959 538 HG12 ILE 68 2HG1 ILE 68 -3.302 -3.460 -0.880 539 HG13 ILE 68 3HG1 ILE 68 -1.849 -3.301 -1.859 540 HG21 ILE 68 1HG2 ILE 68 -4.195 -1.383 0.367 541 HG22 ILE 68 2HG2 ILE 68 -3.209 0.079 0.370 542 HG23 ILE 68 3HG2 ILE 68 -2.645 -1.365 1.208 543 HD11 ILE 68 3HD1 ILE 68 -1.394 -4.612 0.110 544 HD12 ILE 68 1HD1 ILE 68 -1.985 -3.315 1.149 545 HD13 ILE 68 2HD1 ILE 68 -0.518 -3.086 0.197 546 H ARG 69 H ARG 69 -1.686 0.941 -2.611 547 HA ARG 69 HA ARG 69 -3.027 3.070 -1.389 548 HB2 ARG 69 2HB ARG 69 -0.667 3.189 -1.977 549 HB3 ARG 69 3HB ARG 69 -1.053 3.093 -3.688 550 HG2 ARG 69 2HG ARG 69 -2.282 5.338 -2.186 551 HG3 ARG 69 3HG ARG 69 -0.533 5.396 -2.405 552 HD2 ARG 69 2HD ARG 69 -2.504 4.997 -4.658 553 HD3 ARG 69 3HD ARG 69 -1.843 6.564 -4.190 554 HE ARG 69 HE ARG 69 0.390 5.550 -4.706 555 HH11 ARG 69 1HH1 ARG 69 -2.471 4.426 -6.257 556 HH12 ARG 69 2HH1 ARG 69 -1.622 3.868 -7.652 557 HH21 ARG 69 1HH2 ARG 69 1.463 4.841 -6.497 558 HH22 ARG 69 2HH2 ARG 69 0.589 4.081 -7.779 559 H ARG 70 H ARG 70 -3.188 1.894 -4.741 560 HA ARG 70 HA ARG 70 -5.055 3.811 -5.690 561 HB2 ARG 70 2HB ARG 70 -3.836 2.540 -7.305 562 HB3 ARG 70 3HB ARG 70 -4.343 1.016 -6.593 563 HG2 ARG 70 2HG ARG 70 -5.492 1.391 -8.688 564 HG3 ARG 70 3HG ARG 70 -6.639 1.423 -7.353 565 HD2 ARG 70 2HD ARG 70 -6.668 3.868 -7.417 566 HD3 ARG 70 3HD ARG 70 -5.479 3.856 -8.721 567 HE ARG 70 HE ARG 70 -7.591 2.314 -9.595 568 HH11 ARG 70 1HH1 ARG 70 -7.143 5.601 -8.630 569 HH12 ARG 70 2HH1 ARG 70 -8.397 6.175 -9.672 570 HH21 ARG 70 1HH2 ARG 70 -9.182 3.082 -10.918 571 HH22 ARG 70 2HH2 ARG 70 -9.522 4.779 -10.959 572 H ARG 71 H ARG 71 -5.456 0.624 -4.195 573 HA ARG 71 HA ARG 71 -8.179 0.216 -4.476 574 HB2 ARG 71 2HB ARG 71 -6.331 -0.507 -2.194 575 HB3 ARG 71 3HB ARG 71 -7.979 -1.104 -2.323 576 HG2 ARG 71 2HG ARG 71 -5.922 -1.540 -4.478 577 HG3 ARG 71 3HG ARG 71 -6.147 -2.651 -3.125 578 HD2 ARG 71 2HD ARG 71 -8.255 -1.862 -5.146 579 HD3 ARG 71 3HD ARG 71 -7.390 -3.401 -5.094 580 HE ARG 71 HE ARG 71 -8.479 -3.323 -2.654 581 HH11 ARG 71 1HH1 ARG 71 -9.859 -2.781 -5.769 582 HH12 ARG 71 2HH1 ARG 71 -11.437 -3.279 -5.265 583 HH21 ARG 71 1HH2 ARG 71 -10.489 -3.958 -2.036 584 HH22 ARG 71 2HH2 ARG 71 -11.796 -3.932 -3.172 585 H GLY 72 H GLY 72 -6.540 1.861 -1.763 586 HA2 GLY 72 2HA GLY 72 -9.002 2.628 -0.502 587 HA3 GLY 72 3HA GLY 72 -7.393 3.171 -0.064 588 H LYS 73 H LYS 73 -6.585 4.420 -2.434 589 HA LYS 73 HA LYS 73 -7.807 6.946 -2.148 590 HB2 LYS 73 2HB LYS 73 -5.471 6.549 -2.950 591 HB3 LYS 73 3HB LYS 73 -6.133 6.012 -4.489 592 HG2 LYS 73 2HG LYS 73 -7.107 8.221 -4.861 593 HG3 LYS 73 3HG LYS 73 -6.500 8.765 -3.295 594 HD2 LYS 73 2HD LYS 73 -4.796 7.851 -5.626 595 HD3 LYS 73 3HD LYS 73 -5.081 9.529 -5.159 596 HE2 LYS 73 2HE LYS 73 -3.784 7.448 -3.392 597 HE3 LYS 73 3HE LYS 73 -2.901 8.625 -4.362 598 HZ1 LYS 73 3HZ LYS 73 -4.835 9.305 -2.207 599 HZ2 LYS 73 1HZ LYS 73 -3.898 10.398 -3.095 600 HZ3 LYS 73 2HZ LYS 73 -3.153 9.310 -2.040 601 H ASN 74 H ASN 74 -8.556 4.253 -4.205 602 HA ASN 74 HA ASN 74 -10.149 5.396 -6.169 603 HB2 ASN 74 2HB ASN 74 -9.660 3.023 -6.173 604 HB3 ASN 74 3HB ASN 74 -10.515 2.799 -4.651 605 HD21 ASN 74 1HD2 ASN 74 -10.855 3.362 -8.068 606 HD22 ASN 74 2HD2 ASN 74 -12.535 2.976 -8.157 607 H LYS 75 H LYS 75 -11.006 4.560 -2.820 608 HA LYS 75 HA LYS 75 -13.730 5.211 -2.901 609 HB2 LYS 75 2HB LYS 75 -12.547 4.023 -1.035 610 HB3 LYS 75 3HB LYS 75 -11.848 5.561 -0.550 611 HG2 LYS 75 2HG LYS 75 -13.747 5.002 0.852 612 HG3 LYS 75 3HG LYS 75 -14.086 6.447 -0.102 613 HD2 LYS 75 2HD LYS 75 -16.022 4.946 -0.038 614 HD3 LYS 75 3HD LYS 75 -15.399 5.108 -1.680 615 HE2 LYS 75 2HE LYS 75 -15.964 2.792 -1.219 616 HE3 LYS 75 3HE LYS 75 -14.222 2.959 -1.427 617 HZ1 LYS 75 3HZ LYS 75 -15.631 2.793 1.187 618 HZ2 LYS 75 1HZ LYS 75 -13.958 2.900 0.968 619 HZ3 LYS 75 2HZ LYS 75 -14.790 1.527 0.448 620 H VAL 76 H VAL 76 -10.894 7.239 -2.301 621 HA VAL 76 HA VAL 76 -12.320 9.652 -1.800 622 HB VAL 76 HB VAL 76 -9.490 9.347 -2.843 623 HG11 VAL 76 1HG1 VAL 76 -9.116 11.548 -1.805 624 HG12 VAL 76 2HG1 VAL 76 -10.822 11.624 -1.362 625 HG13 VAL 76 3HG1 VAL 76 -10.351 11.623 -3.062 626 HG21 VAL 76 3HG2 VAL 76 -8.791 9.477 -0.486 627 HG22 VAL 76 1HG2 VAL 76 -9.776 8.048 -0.801 628 HG23 VAL 76 2HG2 VAL 76 -10.483 9.445 0.013 629 H ALA 77 H ALA 77 -10.911 8.206 -4.724 630 HA ALA 77 HA ALA 77 -11.512 10.359 -6.481 631 HB1 ALA 77 3HB ALA 77 -11.110 7.432 -7.127 632 HB2 ALA 77 1HB ALA 77 -9.837 8.649 -7.011 633 HB3 ALA 77 2HB ALA 77 -11.058 8.769 -8.280 634 H ALA 78 H ALA 78 -13.435 7.813 -5.144 635 HA ALA 78 HA ALA 78 -15.560 7.912 -7.077 636 HB1 ALA 78 3HB ALA 78 -16.794 6.539 -5.464 637 HB2 ALA 78 1HB ALA 78 -15.536 6.824 -4.259 638 HB3 ALA 78 2HB ALA 78 -15.165 5.920 -5.728 639 H GLN 79 H GLN 79 -15.068 9.334 -3.843 640 HA GLN 79 HA GLN 79 -17.633 10.615 -3.786 641 HB2 GLN 79 2HB GLN 79 -16.737 11.811 -1.791 642 HB3 GLN 79 3HB GLN 79 -16.587 10.062 -1.693 643 HG2 GLN 79 2HG GLN 79 -14.254 10.163 -2.174 644 HG3 GLN 79 3HG GLN 79 -14.346 11.883 -2.547 645 HE21 GLN 79 1HE2 GLN 79 -14.472 13.359 -0.870 646 HE22 GLN 79 2HE2 GLN 79 -14.155 12.923 0.772 647 H ASN 80 H ASN 80 -14.357 11.724 -4.602 648 HA ASN 80 HA ASN 80 -15.368 14.432 -5.119 649 HB2 ASN 80 2HB ASN 80 -12.545 13.342 -4.972 650 HB3 ASN 80 3HB ASN 80 -12.950 15.029 -5.278 651 HD21 ASN 80 1HD2 ASN 80 -11.449 13.832 -3.076 652 HD22 ASN 80 2HD2 ASN 80 -12.267 14.323 -1.634 653 H TYR 81 H TYR 81 -15.934 12.162 -6.945 654 HA TYR 81 HA TYR 81 -14.310 12.450 -9.286 655 HB2 TYR 81 2HB TYR 81 -15.508 10.364 -8.781 656 HB3 TYR 81 3HB TYR 81 -17.047 11.199 -8.937 657 HD1 TYR 81 HD1 TYR 81 -13.985 10.286 -10.864 658 HD2 TYR 81 HD2 TYR 81 -18.121 11.297 -11.019 659 HE1 TYR 81 HE1 TYR 81 -14.033 9.714 -13.254 660 HE2 TYR 81 HE2 TYR 81 -18.172 10.730 -13.408 661 HH TYR 81 HH TYR 81 -15.643 9.027 -14.935 662 H ARG 82 H ARG 82 -17.775 13.213 -8.790 663 HA ARG 82 HA ARG 82 -17.774 15.015 -11.067 664 HB2 ARG 82 2HB ARG 82 -19.677 13.429 -10.340 665 HB3 ARG 82 3HB ARG 82 -20.028 14.619 -9.093 666 HG2 ARG 82 2HG ARG 82 -20.429 16.312 -10.814 667 HG3 ARG 82 3HG ARG 82 -20.054 15.126 -12.069 668 HD2 ARG 82 2HD ARG 82 -21.926 13.708 -11.070 669 HD3 ARG 82 3HD ARG 82 -22.382 15.146 -10.157 670 HE ARG 82 HE ARG 82 -22.254 15.969 -12.767 671 HH11 ARG 82 1HH1 ARG 82 -23.974 13.541 -11.032 672 HH12 ARG 82 2HH1 ARG 82 -25.323 13.577 -12.115 673 HH21 ARG 82 1HH2 ARG 82 -23.989 15.974 -14.160 674 HH22 ARG 82 2HH2 ARG 82 -25.331 14.927 -13.858 675 H LYS 83 H LYS 83 -16.867 17.014 -10.768 676 HA LYS 83 HA LYS 83 -17.245 18.294 -8.133 677 HB2 LYS 83 2HB LYS 83 -15.033 17.292 -8.251 678 HB3 LYS 83 3HB LYS 83 -14.692 18.144 -9.747 679 HG2 LYS 83 2HG LYS 83 -15.423 19.884 -7.484 680 HG3 LYS 83 3HG LYS 83 -13.929 18.971 -7.266 681 HD2 LYS 83 2HD LYS 83 -14.565 20.749 -9.630 682 HD3 LYS 83 3HD LYS 83 -13.539 21.194 -8.266 683 HE2 LYS 83 2HE LYS 83 -11.982 19.400 -8.829 684 HE3 LYS 83 3HE LYS 83 -13.020 18.895 -10.162 685 HZ1 LYS 83 3HZ LYS 83 -12.623 20.972 -11.261 686 HZ2 LYS 83 1HZ LYS 83 -11.137 20.273 -10.870 687 HZ3 LYS 83 2HZ LYS 83 -11.731 21.559 -9.952 688 H ARG 84 H ARG 84 -18.887 19.621 -8.955 689 HA ARG 84 HA ARG 84 -19.646 21.704 -9.361 690 HB2 ARG 84 2HB ARG 84 -16.762 22.498 -8.977 691 HB3 ARG 84 3HB ARG 84 -18.168 23.528 -8.758 692 HG2 ARG 84 2HG ARG 84 -17.614 21.053 -7.126 693 HG3 ARG 84 3HG ARG 84 -17.154 22.685 -6.646 694 HD2 ARG 84 2HD ARG 84 -19.212 22.046 -5.545 695 HD3 ARG 84 3HD ARG 84 -19.523 23.351 -6.684 696 HE ARG 84 HE ARG 84 -20.877 21.942 -7.886 697 HH11 ARG 84 1HH1 ARG 84 -19.026 20.036 -5.661 698 HH12 ARG 84 2HH1 ARG 84 -20.010 18.631 -5.890 699 HH21 ARG 84 1HH2 ARG 84 -22.105 20.126 -8.174 700 HH22 ARG 84 2HH2 ARG 84 -21.725 18.673 -7.312 701 H LYS 85 H LYS 85 -20.426 22.081 -11.339 702 HA LYS 85 HA LYS 85 -18.596 23.286 -13.326 703 HB2 LYS 85 2HB LYS 85 -21.196 21.797 -13.777 704 HB3 LYS 85 3HB LYS 85 -20.339 22.675 -15.033 705 HG2 LYS 85 2HG LYS 85 -19.000 20.464 -13.503 706 HG3 LYS 85 3HG LYS 85 -20.053 20.118 -14.871 707 HD2 LYS 85 2HD LYS 85 -17.834 20.169 -15.722 708 HD3 LYS 85 3HD LYS 85 -18.605 21.664 -16.247 709 HE2 LYS 85 2HE LYS 85 -17.480 22.887 -14.455 710 HE3 LYS 85 3HE LYS 85 -16.746 21.392 -13.878 711 HZ1 LYS 85 3HZ LYS 85 -16.260 22.686 -16.506 712 HZ2 LYS 85 1HZ LYS 85 -15.594 21.213 -16.012 713 HZ3 LYS 85 2HZ LYS 85 -15.192 22.637 -15.196 714 H LEU 86 H LEU 86 -19.441 25.156 -14.505 715 HA LEU 86 HA LEU 86 -21.808 26.487 -13.506 716 HB2 LEU 86 2HB LEU 86 -20.755 28.376 -12.494 717 HB3 LEU 86 3HB LEU 86 -20.114 26.934 -11.736 718 HG LEU 86 HG LEU 86 -18.665 28.520 -13.873 719 HD11 LEU 86 1HD1 LEU 86 -18.957 29.844 -11.839 720 HD12 LEU 86 2HD1 LEU 86 -17.270 29.390 -12.080 721 HD13 LEU 86 3HD1 LEU 86 -18.251 28.541 -10.883 722 HD21 LEU 86 3HD2 LEU 86 -17.988 26.173 -13.779 723 HD22 LEU 86 1HD2 LEU 86 -17.693 26.317 -12.045 724 HD23 LEU 86 2HD2 LEU 86 -16.703 27.228 -13.189 725 H GLU 87 H GLU 87 -21.508 29.036 -14.285 726 HA GLU 87 HA GLU 87 -21.483 28.989 -17.117 727 HB2 GLU 87 2HB GLU 87 -22.776 30.648 -15.874 728 HB3 GLU 87 3HB GLU 87 -21.302 31.330 -15.198 729 HG2 GLU 87 2HG GLU 87 -20.599 31.969 -17.493 730 HG3 GLU 87 3HG GLU 87 -22.153 31.387 -18.092 731 H THR 88 H THR 88 -19.603 28.312 -18.028 732 HA THR 88 HA THR 88 -17.035 29.387 -17.141 733 HB THR 88 HB THR 88 -16.041 27.757 -18.722 734 HG1 THR 88 HG1 THR 88 -17.876 27.783 -20.212 735 HG21 THR 88 3HG2 THR 88 -16.727 25.717 -17.543 736 HG22 THR 88 1HG2 THR 88 -18.149 26.549 -16.916 737 HG23 THR 88 2HG2 THR 88 -16.536 27.058 -16.415 738 H ILE 89 H ILE 89 -15.826 30.833 -18.237 739 HA ILE 89 HA ILE 89 -16.872 32.245 -20.494 740 HB ILE 89 HB ILE 89 -14.106 32.292 -19.264 741 HG12 ILE 89 2HG1 ILE 89 -16.470 34.159 -18.909 742 HG13 ILE 89 3HG1 ILE 89 -15.908 32.983 -17.726 743 HG21 ILE 89 1HG2 ILE 89 -15.361 34.205 -21.242 744 HG22 ILE 89 2HG2 ILE 89 -14.034 33.092 -21.566 745 HG23 ILE 89 3HG2 ILE 89 -13.806 34.430 -20.443 746 HD11 ILE 89 3HD1 ILE 89 -15.177 35.209 -17.142 747 HD12 ILE 89 1HD1 ILE 89 -14.383 35.385 -18.706 748 HD13 ILE 89 2HD1 ILE 89 -13.791 34.197 -17.543 749 H VAL 90 H VAL 90 -16.869 31.484 -22.530 750 HA VAL 90 HA VAL 90 -14.599 29.810 -23.425 751 HB VAL 90 HB VAL 90 -16.144 28.529 -24.845 752 HG11 VAL 90 1HG1 VAL 90 -17.229 27.228 -23.071 753 HG12 VAL 90 2HG1 VAL 90 -16.946 28.543 -21.928 754 HG13 VAL 90 3HG1 VAL 90 -15.580 27.670 -22.627 755 HG21 VAL 90 3HG2 VAL 90 -18.326 30.125 -23.477 756 HG22 VAL 90 1HG2 VAL 90 -18.583 28.727 -24.519 757 HG23 VAL 90 2HG2 VAL 90 -17.881 30.201 -25.184 758 H GLN 91 H GLN 91 -14.705 29.619 -25.967 759 HA GLN 91 HA GLN 91 -15.510 32.142 -27.234 760 HB2 GLN 91 2HB GLN 91 -13.139 32.378 -26.480 761 HB3 GLN 91 3HB GLN 91 -12.711 31.002 -27.487 762 HG2 GLN 91 2HG GLN 91 -13.463 32.266 -29.480 763 HG3 GLN 91 3HG GLN 91 -13.796 33.653 -28.444 764 HE21 GLN 91 1HE2 GLN 91 -11.967 33.460 -30.671 765 HE22 GLN 91 2HE2 GLN 91 -10.399 33.844 -30.052 Start of MODEL 20 1 H1 MET 1 1H MET 1 -25.713 -53.474 16.479 2 H2 MET 1 2H MET 1 -24.994 -53.254 17.994 3 H3 MET 1 3H MET 1 -24.080 -53.040 16.590 4 HA MET 1 HA MET 1 -25.395 -51.150 15.952 5 HB2 MET 1 2HB MET 1 -27.070 -50.243 17.561 6 HB3 MET 1 3HB MET 1 -27.519 -51.797 16.873 7 HG2 MET 1 2HG MET 1 -26.817 -52.921 18.928 8 HG3 MET 1 3HG MET 1 -26.348 -51.368 19.621 9 HE1 MET 1 3HE MET 1 -28.351 -53.457 21.030 10 HE2 MET 1 1HE MET 1 -29.552 -52.334 21.663 11 HE3 MET 1 2HE MET 1 -27.838 -51.930 21.746 12 H GLY 2 H GLY 2 -23.550 -49.964 16.076 13 HA2 GLY 2 2HA GLY 2 -22.216 -48.281 16.873 14 HA3 GLY 2 3HA GLY 2 -23.368 -48.101 18.179 15 H HIS 3 H HIS 3 -20.310 -49.480 17.203 16 HA HIS 3 HA HIS 3 -19.711 -49.947 20.063 17 HB2 HIS 3 2HB HIS 3 -18.520 -51.261 17.610 18 HB3 HIS 3 3HB HIS 3 -17.810 -51.396 19.216 19 HD1 HIS 3 HD1 HIS 3 -20.352 -52.872 17.039 20 HD2 HIS 3 HD2 HIS 3 -19.541 -52.778 21.115 21 HE1 HIS 3 HE1 HIS 3 -21.696 -54.743 18.038 22 HE2 HIS 3 HE2 HIS 3 -21.107 -54.737 20.483 23 H HIS 4 H HIS 4 -19.041 -47.915 20.624 24 HA HIS 4 HA HIS 4 -17.325 -46.307 18.971 25 HB2 HIS 4 2HB HIS 4 -19.040 -45.399 20.556 26 HB3 HIS 4 3HB HIS 4 -18.043 -45.945 21.897 27 HD1 HIS 4 HD1 HIS 4 -16.382 -44.295 22.756 28 HD2 HIS 4 HD2 HIS 4 -17.689 -43.336 18.927 29 HE1 HIS 4 HE1 HIS 4 -15.388 -42.049 22.249 30 HE2 HIS 4 HE2 HIS 4 -16.344 -41.410 20.012 31 H HIS 5 H HIS 5 -15.192 -46.685 18.722 32 HA HIS 5 HA HIS 5 -13.767 -48.424 20.523 33 HB2 HIS 5 2HB HIS 5 -13.495 -48.332 17.987 34 HB3 HIS 5 3HB HIS 5 -12.576 -46.852 18.231 35 HD1 HIS 5 HD1 HIS 5 -12.362 -50.542 18.565 36 HD2 HIS 5 HD2 HIS 5 -10.016 -47.225 19.413 37 HE1 HIS 5 HE1 HIS 5 -10.081 -51.449 19.073 38 HE2 HIS 5 HE2 HIS 5 -8.722 -49.442 19.733 39 H HIS 6 H HIS 6 -12.233 -47.920 22.017 40 HA HIS 6 HA HIS 6 -12.006 -45.093 22.782 41 HB2 HIS 6 2HB HIS 6 -12.791 -46.809 24.423 42 HB3 HIS 6 3HB HIS 6 -11.223 -47.597 24.311 43 HD1 HIS 6 HD1 HIS 6 -12.570 -44.157 25.229 44 HD2 HIS 6 HD2 HIS 6 -9.522 -46.783 26.251 45 HE1 HIS 6 HE1 HIS 6 -11.362 -43.071 27.137 46 HE2 HIS 6 HE2 HIS 6 -9.420 -44.593 27.619 47 H HIS 7 H HIS 7 -9.793 -44.520 23.848 48 HA HIS 7 HA HIS 7 -7.523 -44.491 24.023 49 HB2 HIS 7 2HB HIS 7 -7.592 -46.925 22.238 50 HB3 HIS 7 3HB HIS 7 -6.103 -46.197 22.829 51 HD1 HIS 7 HD1 HIS 7 -8.213 -48.890 23.579 52 HD2 HIS 7 HD2 HIS 7 -6.349 -45.982 25.886 53 HE1 HIS 7 HE1 HIS 7 -8.143 -49.819 25.909 54 HE2 HIS 7 HE2 HIS 7 -7.224 -47.948 27.314 55 H HIS 8 H HIS 8 -8.451 -45.168 20.616 56 HA HIS 8 HA HIS 8 -6.308 -43.830 19.454 57 HB2 HIS 8 2HB HIS 8 -7.590 -43.732 17.391 58 HB3 HIS 8 3HB HIS 8 -7.838 -45.283 18.178 59 HD1 HIS 8 HD1 HIS 8 -9.623 -42.412 16.817 60 HD2 HIS 8 HD2 HIS 8 -10.439 -45.492 19.476 61 HE1 HIS 8 HE1 HIS 8 -12.121 -42.484 17.008 62 HE2 HIS 8 HE2 HIS 8 -12.572 -44.208 18.780 63 H SER 9 H SER 9 -5.687 -41.851 19.987 64 HA SER 9 HA SER 9 -7.143 -39.540 19.248 65 HB2 SER 9 2HB SER 9 -8.466 -40.014 21.261 66 HB3 SER 9 3HB SER 9 -6.996 -40.065 22.234 67 HG SER 9 HG SER 9 -7.090 -37.978 22.381 68 H HIS 10 H HIS 10 -5.939 -37.608 19.482 69 HA HIS 10 HA HIS 10 -3.185 -37.933 20.500 70 HB2 HIS 10 2HB HIS 10 -4.070 -36.541 17.960 71 HB3 HIS 10 3HB HIS 10 -2.462 -36.366 18.656 72 HD1 HIS 10 HD1 HIS 10 -0.765 -38.063 17.962 73 HD2 HIS 10 HD2 HIS 10 -4.651 -39.324 17.182 74 HE1 HIS 10 HE1 HIS 10 -0.536 -40.222 16.706 75 HE2 HIS 10 HE2 HIS 10 -2.892 -41.032 16.362 76 H MET 11 H MET 11 -2.124 -35.807 20.989 77 HA MET 11 HA MET 11 -4.095 -34.037 22.292 78 HB2 MET 11 2HB MET 11 -2.218 -33.373 23.782 79 HB3 MET 11 3HB MET 11 -2.588 -35.090 23.864 80 HG2 MET 11 2HG MET 11 -0.682 -35.579 22.422 81 HG3 MET 11 3HG MET 11 -0.317 -33.858 22.312 82 HE1 MET 11 3HE MET 11 -0.523 -36.980 24.713 83 HE2 MET 11 1HE MET 11 -1.599 -35.806 25.474 84 HE3 MET 11 2HE MET 11 -0.082 -36.249 26.257 85 H ALA 12 H ALA 12 -3.591 -33.716 19.559 86 HA ALA 12 HA ALA 12 -1.636 -32.014 18.686 87 HB1 ALA 12 3HB ALA 12 -3.269 -33.095 17.224 88 HB2 ALA 12 1HB ALA 12 -3.151 -31.367 16.890 89 HB3 ALA 12 2HB ALA 12 -4.522 -31.998 17.805 90 H LYS 13 H LYS 13 -1.018 -30.034 19.195 91 HA LYS 13 HA LYS 13 -2.990 -28.062 20.128 92 HB2 LYS 13 2HB LYS 13 -1.246 -27.291 21.822 93 HB3 LYS 13 3HB LYS 13 -2.064 -28.808 22.174 94 HG2 LYS 13 2HG LYS 13 -0.130 -30.055 21.349 95 HG3 LYS 13 3HG LYS 13 0.690 -28.539 20.964 96 HD2 LYS 13 2HD LYS 13 0.705 -27.925 23.324 97 HD3 LYS 13 3HD LYS 13 -0.194 -29.389 23.732 98 HE2 LYS 13 2HE LYS 13 2.194 -29.648 24.210 99 HE3 LYS 13 3HE LYS 13 1.671 -30.764 22.949 100 HZ1 LYS 13 3HZ LYS 13 3.796 -29.691 22.440 101 HZ2 LYS 13 1HZ LYS 13 3.046 -28.180 22.472 102 HZ3 LYS 13 2HZ LYS 13 2.615 -29.308 21.292 103 HA PRO 14 HA PRO 14 -0.270 -25.903 17.145 104 HB2 PRO 14 2HB PRO 14 -2.077 -25.421 15.218 105 HB3 PRO 14 3HB PRO 14 -1.313 -27.005 15.394 106 HG2 PRO 14 2HG PRO 14 -4.079 -26.178 16.030 107 HG3 PRO 14 3HG PRO 14 -3.450 -27.785 15.638 108 HD2 PRO 14 2HD PRO 14 -3.998 -26.669 18.246 109 HD3 PRO 14 3HD PRO 14 -3.406 -28.295 17.849 110 H THR 15 H THR 15 0.148 -23.839 17.741 111 HA THR 15 HA THR 15 -2.109 -21.991 18.219 112 HB THR 15 HB THR 15 0.774 -21.759 19.131 113 HG1 THR 15 HG1 THR 15 -1.238 -21.789 21.016 114 HG21 THR 15 3HG2 THR 15 -0.169 -19.547 18.681 115 HG22 THR 15 1HG2 THR 15 0.001 -19.800 20.418 116 HG23 THR 15 2HG2 THR 15 -1.585 -19.933 19.659 117 H ALA 16 H ALA 16 -2.572 -20.724 16.539 118 HA ALA 16 HA ALA 16 -0.396 -19.466 15.010 119 HB1 ALA 16 3HB ALA 16 -2.730 -20.877 13.710 120 HB2 ALA 16 1HB ALA 16 -1.067 -21.462 13.746 121 HB3 ALA 16 2HB ALA 16 -1.460 -19.979 12.878 122 H ARG 17 H ARG 17 -0.821 -17.377 14.370 123 HA ARG 17 HA ARG 17 -3.526 -16.335 14.940 124 HB2 ARG 17 2HB ARG 17 -2.388 -14.213 15.733 125 HB3 ARG 17 3HB ARG 17 -2.246 -15.611 16.784 126 HG2 ARG 17 2HG ARG 17 -0.123 -14.665 16.822 127 HG3 ARG 17 3HG ARG 17 0.034 -15.997 15.681 128 HD2 ARG 17 2HD ARG 17 1.174 -14.031 14.836 129 HD3 ARG 17 3HD ARG 17 -0.216 -14.401 13.815 130 HE ARG 17 HE ARG 17 -0.743 -12.470 15.896 131 HH11 ARG 17 1HH1 ARG 17 0.270 -12.926 12.632 132 HH12 ARG 17 2HH1 ARG 17 -0.076 -11.293 12.185 133 HH21 ARG 17 1HH2 ARG 17 -1.215 -10.393 15.295 134 HH22 ARG 17 2HH2 ARG 17 -0.901 -9.876 13.673 135 H GLY 18 H GLY 18 -4.260 -14.559 13.720 136 HA2 GLY 18 2HA GLY 18 -2.891 -13.079 11.833 137 HA3 GLY 18 3HA GLY 18 -3.357 -14.554 11.001 138 H GLU 19 H GLU 19 -4.677 -11.843 12.881 139 HA GLU 19 HA GLU 19 -7.383 -12.251 12.092 140 HB2 GLU 19 2HB GLU 19 -5.942 -9.828 13.188 141 HB3 GLU 19 3HB GLU 19 -7.678 -9.880 12.906 142 HG2 GLU 19 2HG GLU 19 -7.988 -11.566 14.547 143 HG3 GLU 19 3HG GLU 19 -6.252 -11.841 14.686 144 H ALA 20 H ALA 20 -8.063 -12.130 10.049 145 HA ALA 20 HA ALA 20 -6.712 -10.402 8.122 146 HB1 ALA 20 3HB ALA 20 -8.925 -12.410 7.697 147 HB2 ALA 20 1HB ALA 20 -7.198 -12.730 7.524 148 HB3 ALA 20 2HB ALA 20 -7.998 -11.593 6.438 149 H GLY 21 H GLY 21 -7.501 -8.508 7.389 150 HA2 GLY 21 2HA GLY 21 -10.066 -7.548 8.397 151 HA3 GLY 21 3HA GLY 21 -8.846 -6.596 7.567 152 H SER 22 H SER 22 -9.824 -5.715 5.842 153 HA SER 22 HA SER 22 -12.003 -6.936 4.452 154 HB2 SER 22 2HB SER 22 -10.302 -4.551 3.666 155 HB3 SER 22 3HB SER 22 -11.843 -4.996 2.937 156 HG SER 22 HG SER 22 -11.372 -3.567 5.164 157 H ARG 23 H ARG 23 -11.801 -6.787 1.864 158 HA ARG 23 HA ARG 23 -10.407 -9.036 1.024 159 HB2 ARG 23 2HB ARG 23 -11.377 -6.662 -0.581 160 HB3 ARG 23 3HB ARG 23 -10.750 -8.134 -1.311 161 HG2 ARG 23 2HG ARG 23 -12.552 -9.418 -0.224 162 HG3 ARG 23 3HG ARG 23 -13.196 -7.916 0.444 163 HD2 ARG 23 2HD ARG 23 -14.377 -8.631 -1.607 164 HD3 ARG 23 3HD ARG 23 -13.614 -7.049 -1.771 165 HE ARG 23 HE ARG 23 -12.197 -9.419 -2.767 166 HH11 ARG 23 1HH1 ARG 23 -13.954 -6.533 -3.450 167 HH12 ARG 23 2HH1 ARG 23 -13.360 -6.429 -5.070 168 HH21 ARG 23 1HH2 ARG 23 -11.502 -9.304 -4.873 169 HH22 ARG 23 2HH2 ARG 23 -12.007 -7.988 -5.876 170 H ASP 24 H ASP 24 -9.391 -5.639 0.847 171 HA ASP 24 HA ASP 24 -7.062 -6.073 -0.683 172 HB2 ASP 24 2HB ASP 24 -7.760 -3.838 1.235 173 HB3 ASP 24 3HB ASP 24 -6.376 -3.815 0.142 174 H GLU 25 H GLU 25 -7.405 -5.680 2.869 175 HA GLU 25 HA GLU 25 -4.745 -6.073 3.562 176 HB2 GLU 25 2HB GLU 25 -7.245 -6.859 5.075 177 HB3 GLU 25 3HB GLU 25 -5.630 -6.936 5.762 178 HG2 GLU 25 2HG GLU 25 -6.472 -4.920 6.554 179 HG3 GLU 25 3HG GLU 25 -5.460 -4.443 5.194 180 H ARG 26 H ARG 26 -7.152 -8.454 2.630 181 HA ARG 26 HA ARG 26 -5.881 -10.787 3.504 182 HB2 ARG 26 2HB ARG 26 -7.665 -10.331 1.108 183 HB3 ARG 26 3HB ARG 26 -7.140 -11.925 1.638 184 HG2 ARG 26 2HG ARG 26 -8.254 -11.597 3.781 185 HG3 ARG 26 3HG ARG 26 -8.755 -9.979 3.288 186 HD2 ARG 26 2HD ARG 26 -10.562 -11.645 3.049 187 HD3 ARG 26 3HD ARG 26 -10.119 -10.905 1.510 188 HE ARG 26 HE ARG 26 -8.639 -13.098 1.423 189 HH11 ARG 26 1HH1 ARG 26 -11.921 -12.765 2.433 190 HH12 ARG 26 2HH1 ARG 26 -12.356 -14.340 1.867 191 HH21 ARG 26 1HH2 ARG 26 -9.216 -15.096 0.708 192 HH22 ARG 26 2HH2 ARG 26 -10.846 -15.648 0.903 193 H ARG 27 H ARG 27 -5.228 -8.812 0.644 194 HA ARG 27 HA ARG 27 -3.337 -10.665 -0.490 195 HB2 ARG 27 2HB ARG 27 -3.706 -7.695 -0.978 196 HB3 ARG 27 3HB ARG 27 -2.576 -8.709 -1.862 197 HG2 ARG 27 2HG ARG 27 -4.364 -8.636 -3.303 198 HG3 ARG 27 3HG ARG 27 -4.686 -10.130 -2.424 199 HD2 ARG 27 2HD ARG 27 -6.199 -8.846 -0.918 200 HD3 ARG 27 3HD ARG 27 -5.943 -7.428 -1.935 201 HE ARG 27 HE ARG 27 -7.143 -9.923 -2.955 202 HH11 ARG 27 1HH1 ARG 27 -7.080 -6.472 -2.745 203 HH12 ARG 27 2HH1 ARG 27 -8.483 -6.287 -3.742 204 HH21 ARG 27 1HH2 ARG 27 -8.898 -9.664 -4.249 205 HH22 ARG 27 2HH2 ARG 27 -9.487 -8.073 -4.596 206 H ALA 28 H ALA 28 -3.141 -7.837 1.615 207 HA ALA 28 HA ALA 28 -0.372 -7.516 1.740 208 HB1 ALA 28 3HB ALA 28 -1.996 -5.901 2.642 209 HB2 ALA 28 1HB ALA 28 -0.746 -6.313 3.819 210 HB3 ALA 28 2HB ALA 28 -2.359 -7.017 3.960 211 H LEU 29 H LEU 29 -2.475 -9.516 3.823 212 HA LEU 29 HA LEU 29 -0.254 -10.567 5.313 213 HB2 LEU 29 2HB LEU 29 -1.952 -12.085 6.319 214 HB3 LEU 29 3HB LEU 29 -2.321 -10.379 6.454 215 HG LEU 29 HG LEU 29 -3.791 -10.810 4.319 216 HD11 LEU 29 1HD1 LEU 29 -4.794 -13.055 4.292 217 HD12 LEU 29 2HD1 LEU 29 -3.611 -13.589 5.486 218 HD13 LEU 29 3HD1 LEU 29 -3.079 -13.084 3.882 219 HD21 LEU 29 3HD2 LEU 29 -5.705 -11.350 5.775 220 HD22 LEU 29 1HD2 LEU 29 -4.679 -10.084 6.446 221 HD23 LEU 29 2HD2 LEU 29 -4.584 -11.725 7.084 222 H ALA 30 H ALA 30 -1.886 -11.521 2.396 223 HA ALA 30 HA ALA 30 -1.020 -14.215 2.276 224 HB1 ALA 30 3HB ALA 30 -1.581 -12.316 -0.007 225 HB2 ALA 30 1HB ALA 30 -2.769 -13.338 0.802 226 HB3 ALA 30 2HB ALA 30 -1.461 -14.073 -0.127 227 H MET 31 H MET 31 0.433 -11.198 1.076 228 HA MET 31 HA MET 31 2.929 -12.577 0.411 229 HB2 MET 31 2HB MET 31 2.076 -9.692 0.096 230 HB3 MET 31 3HB MET 31 3.640 -10.323 -0.402 231 HG2 MET 31 2HG MET 31 0.987 -11.283 -1.459 232 HG3 MET 31 3HG MET 31 2.029 -10.108 -2.262 233 HE1 MET 31 3HE MET 31 4.931 -11.246 -1.692 234 HE2 MET 31 1HE MET 31 4.390 -10.656 -3.264 235 HE3 MET 31 2HE MET 31 5.178 -12.230 -3.135 236 H LYS 32 H LYS 32 1.584 -11.342 3.147 237 HA LYS 32 HA LYS 32 2.305 -10.764 5.201 238 HB2 LYS 32 2HB LYS 32 4.816 -12.062 4.162 239 HB3 LYS 32 3HB LYS 32 4.691 -11.449 5.808 240 HG2 LYS 32 2HG LYS 32 2.851 -12.944 6.276 241 HG3 LYS 32 3HG LYS 32 2.826 -13.492 4.601 242 HD2 LYS 32 2HD LYS 32 5.186 -13.841 6.457 243 HD3 LYS 32 3HD LYS 32 3.939 -15.065 6.211 244 HE2 LYS 32 2HE LYS 32 4.490 -14.996 3.756 245 HE3 LYS 32 3HE LYS 32 5.864 -13.965 4.161 246 HZ1 LYS 32 3HZ LYS 32 5.416 -16.699 5.226 247 HZ2 LYS 32 1HZ LYS 32 6.761 -15.721 5.525 248 HZ3 LYS 32 2HZ LYS 32 6.474 -16.314 3.967 249 H ILE 33 H ILE 33 1.927 -8.582 4.706 250 HA ILE 33 HA ILE 33 4.287 -6.879 4.282 251 HB ILE 33 HB ILE 33 1.329 -6.210 4.232 252 HG12 ILE 33 2HG1 ILE 33 2.042 -7.566 2.314 253 HG13 ILE 33 3HG1 ILE 33 1.646 -5.929 1.807 254 HG21 ILE 33 1HG2 ILE 33 3.710 -4.451 3.643 255 HG22 ILE 33 2HG2 ILE 33 2.570 -4.275 4.977 256 HG23 ILE 33 3HG2 ILE 33 2.030 -4.022 3.318 257 HD11 ILE 33 3HD1 ILE 33 4.046 -5.394 1.747 258 HD12 ILE 33 1HD1 ILE 33 3.615 -6.713 0.660 259 HD13 ILE 33 2HD1 ILE 33 4.409 -7.060 2.194 260 HA PRO 34 HA PRO 34 4.190 -6.119 8.700 261 HB2 PRO 34 2HB PRO 34 6.370 -4.589 8.905 262 HB3 PRO 34 3HB PRO 34 6.486 -6.288 8.426 263 HG2 PRO 34 2HG PRO 34 6.551 -3.830 6.704 264 HG3 PRO 34 3HG PRO 34 7.583 -5.271 6.630 265 HD2 PRO 34 2HD PRO 34 5.394 -4.844 5.005 266 HD3 PRO 34 3HD PRO 34 6.044 -6.449 5.398 267 H PHE 35 H PHE 35 2.735 -4.112 6.742 268 HA PHE 35 HA PHE 35 2.235 -2.150 8.812 269 HB2 PHE 35 2HB PHE 35 2.544 -0.207 7.229 270 HB3 PHE 35 3HB PHE 35 4.027 -0.991 7.751 271 HD1 PHE 35 HD2 PHE 35 1.785 -0.371 4.913 272 HD2 PHE 35 HD1 PHE 35 5.398 -2.232 6.195 273 HE1 PHE 35 HE2 PHE 35 2.488 -0.625 2.570 274 HE2 PHE 35 HE1 PHE 35 6.101 -2.483 3.853 275 HZ PHE 35 HZ PHE 35 4.648 -1.679 2.034 276 HA PRO 36 HA PRO 36 -1.860 -2.507 7.363 277 HB2 PRO 36 2HB PRO 36 -3.002 -0.216 8.200 278 HB3 PRO 36 3HB PRO 36 -2.391 -1.427 9.336 279 HG2 PRO 36 2HG PRO 36 -1.085 1.105 8.383 280 HG3 PRO 36 3HG PRO 36 -1.223 0.473 10.036 281 HD2 PRO 36 2HD PRO 36 1.021 0.173 8.530 282 HD3 PRO 36 3HD PRO 36 0.515 -1.017 9.748 283 H THR 37 H THR 37 -3.437 -1.891 5.856 284 HA THR 37 HA THR 37 -2.482 -0.752 3.447 285 HB THR 37 HB THR 37 -4.834 -0.939 2.649 286 HG1 THR 37 HG1 THR 37 -6.324 -1.963 4.175 287 HG21 THR 37 3HG2 THR 37 -3.301 -2.882 2.567 288 HG22 THR 37 1HG2 THR 37 -4.980 -3.374 2.802 289 HG23 THR 37 2HG2 THR 37 -3.859 -3.376 4.165 290 H ASP 38 H ASP 38 -4.440 0.564 6.075 291 HA ASP 38 HA ASP 38 -5.327 2.931 4.924 292 HB2 ASP 38 2HB ASP 38 -4.385 2.533 7.777 293 HB3 ASP 38 3HB ASP 38 -5.425 3.835 7.206 294 H LYS 39 H LYS 39 -2.231 2.309 6.558 295 HA LYS 39 HA LYS 39 -1.123 4.872 6.334 296 HB2 LYS 39 2HB LYS 39 -0.183 3.106 7.762 297 HB3 LYS 39 3HB LYS 39 0.276 2.184 6.337 298 HG2 LYS 39 2HG LYS 39 1.863 3.895 5.693 299 HG3 LYS 39 3HG LYS 39 1.349 4.916 7.037 300 HD2 LYS 39 2HD LYS 39 2.607 2.178 7.319 301 HD3 LYS 39 3HD LYS 39 3.471 3.707 7.486 302 HE2 LYS 39 2HE LYS 39 1.947 4.310 9.355 303 HE3 LYS 39 3HE LYS 39 1.195 2.722 9.215 304 HZ1 LYS 39 3HZ LYS 39 4.058 3.208 9.838 305 HZ2 LYS 39 1HZ LYS 39 3.302 1.697 9.755 306 HZ3 LYS 39 2HZ LYS 39 2.869 2.789 10.967 307 H ILE 40 H ILE 40 -1.076 2.137 4.083 308 HA ILE 40 HA ILE 40 0.627 3.176 2.111 309 HB ILE 40 HB ILE 40 -1.789 1.384 1.724 310 HG12 ILE 40 2HG1 ILE 40 1.118 0.640 2.188 311 HG13 ILE 40 3HG1 ILE 40 -0.165 0.513 3.387 312 HG21 ILE 40 1HG2 ILE 40 -0.617 0.594 -0.302 313 HG22 ILE 40 2HG2 ILE 40 0.616 1.831 -0.051 314 HG23 ILE 40 3HG2 ILE 40 -1.049 2.302 -0.392 315 HD11 ILE 40 3HD1 ILE 40 -1.308 -1.133 1.984 316 HD12 ILE 40 1HD1 ILE 40 0.328 -1.643 2.404 317 HD13 ILE 40 2HD1 ILE 40 -0.011 -1.011 0.793 318 H VAL 41 H VAL 41 -2.734 3.863 2.812 319 HA VAL 41 HA VAL 41 -3.217 5.176 0.265 320 HB VAL 41 HB VAL 41 -5.010 4.896 2.688 321 HG11 VAL 41 1HG1 VAL 41 -5.676 5.803 -0.118 322 HG12 VAL 41 2HG1 VAL 41 -5.670 6.808 1.330 323 HG13 VAL 41 3HG1 VAL 41 -6.844 5.502 1.170 324 HG21 VAL 41 3HG2 VAL 41 -4.940 3.317 0.109 325 HG22 VAL 41 1HG2 VAL 41 -6.131 3.132 1.397 326 HG23 VAL 41 2HG2 VAL 41 -4.438 2.735 1.697 327 H ASN 42 H ASN 42 -3.182 6.185 3.710 328 HA ASN 42 HA ASN 42 -3.853 8.885 3.086 329 HB2 ASN 42 2HB ASN 42 -2.845 7.649 5.654 330 HB3 ASN 42 3HB ASN 42 -3.376 9.323 5.506 331 HD21 ASN 42 1HD2 ASN 42 -4.352 6.040 5.757 332 HD22 ASN 42 2HD2 ASN 42 -6.049 6.335 5.840 333 H LEU 43 H LEU 43 -0.773 7.258 3.299 334 HA LEU 43 HA LEU 43 0.805 9.597 3.739 335 HB2 LEU 43 2HB LEU 43 1.492 6.913 2.542 336 HB3 LEU 43 3HB LEU 43 2.677 8.185 2.752 337 HG LEU 43 HG LEU 43 1.150 6.794 4.959 338 HD11 LEU 43 1HD1 LEU 43 3.355 5.923 5.593 339 HD12 LEU 43 2HD1 LEU 43 4.062 6.681 4.165 340 HD13 LEU 43 3HD1 LEU 43 2.872 5.389 3.984 341 HD21 LEU 43 3HD2 LEU 43 3.259 8.951 5.137 342 HD22 LEU 43 1HD2 LEU 43 2.555 8.077 6.498 343 HD23 LEU 43 2HD2 LEU 43 1.547 9.140 5.516 344 HA PRO 44 HA PRO 44 0.639 11.373 -0.385 345 HB2 PRO 44 2HB PRO 44 2.893 12.919 -0.244 346 HB3 PRO 44 3HB PRO 44 1.356 13.369 0.504 347 HG2 PRO 44 2HG PRO 44 3.775 12.116 1.750 348 HG3 PRO 44 3HG PRO 44 2.739 13.412 2.377 349 HD2 PRO 44 2HD PRO 44 2.526 10.845 3.220 350 HD3 PRO 44 3HD PRO 44 1.122 11.927 3.121 351 H VAL 45 H VAL 45 1.904 11.359 -2.387 352 HA VAL 45 HA VAL 45 2.944 8.914 -3.047 353 HB VAL 45 HB VAL 45 2.237 10.584 -4.706 354 HG11 VAL 45 1HG1 VAL 45 3.733 12.373 -5.423 355 HG12 VAL 45 2HG1 VAL 45 4.879 11.938 -4.155 356 HG13 VAL 45 3HG1 VAL 45 3.287 12.563 -3.726 357 HG21 VAL 45 3HG2 VAL 45 3.903 10.083 -6.421 358 HG22 VAL 45 1HG2 VAL 45 3.569 8.660 -5.434 359 HG23 VAL 45 2HG2 VAL 45 5.051 9.586 -5.179 360 H ASP 46 H ASP 46 4.800 11.709 -1.883 361 HA ASP 46 HA ASP 46 7.387 10.703 -2.254 362 HB2 ASP 46 2HB ASP 46 6.371 12.516 -0.048 363 HB3 ASP 46 3HB ASP 46 8.062 12.293 -0.491 364 H ASP 47 H ASP 47 5.565 10.742 0.831 365 HA ASP 47 HA ASP 47 7.241 8.990 2.222 366 HB2 ASP 47 2HB ASP 47 4.297 9.584 2.600 367 HB3 ASP 47 3HB ASP 47 5.285 8.696 3.759 368 H PHE 48 H PHE 48 4.686 8.316 -0.067 369 HA PHE 48 HA PHE 48 4.347 5.554 0.513 370 HB2 PHE 48 2HB PHE 48 2.694 6.737 -0.817 371 HB3 PHE 48 3HB PHE 48 3.899 7.120 -2.042 372 HD1 PHE 48 HD2 PHE 48 2.189 4.238 -0.411 373 HD2 PHE 48 HD1 PHE 48 4.201 5.706 -3.868 374 HE1 PHE 48 HE2 PHE 48 1.626 2.171 -1.617 375 HE2 PHE 48 HE1 PHE 48 3.641 3.637 -5.074 376 HZ PHE 48 HZ PHE 48 2.352 1.869 -3.951 377 H ASN 49 H ASN 49 6.329 7.213 -1.971 378 HA ASN 49 HA ASN 49 7.656 4.923 -2.930 379 HB2 ASN 49 2HB ASN 49 8.561 7.811 -2.816 380 HB3 ASN 49 3HB ASN 49 9.405 6.552 -3.711 381 HD21 ASN 49 1HD2 ASN 49 8.045 9.024 -4.583 382 HD22 ASN 49 2HD2 ASN 49 6.895 8.522 -5.771 383 H GLU 50 H GLU 50 8.426 7.119 -0.261 384 HA GLU 50 HA GLU 50 10.868 5.872 0.497 385 HB2 GLU 50 2HB GLU 50 8.945 7.480 2.197 386 HB3 GLU 50 3HB GLU 50 10.601 7.074 2.626 387 HG2 GLU 50 2HG GLU 50 11.392 8.360 0.668 388 HG3 GLU 50 3HG GLU 50 9.725 8.835 0.341 389 H LEU 51 H LEU 51 7.503 5.266 1.296 390 HA LEU 51 HA LEU 51 7.741 3.590 3.510 391 HB2 LEU 51 2HB LEU 51 5.629 4.505 2.512 392 HB3 LEU 51 3HB LEU 51 5.766 3.317 1.234 393 HG LEU 51 HG LEU 51 5.589 1.519 2.975 394 HD11 LEU 51 1HD1 LEU 51 4.725 2.131 5.180 395 HD12 LEU 51 2HD1 LEU 51 4.907 3.839 4.778 396 HD13 LEU 51 3HD1 LEU 51 6.330 2.806 4.900 397 HD21 LEU 51 3HD2 LEU 51 3.282 3.465 2.806 398 HD22 LEU 51 1HD2 LEU 51 3.171 1.769 3.280 399 HD23 LEU 51 2HD2 LEU 51 3.657 2.194 1.639 400 H LEU 52 H LEU 52 7.819 2.796 0.065 401 HA LEU 52 HA LEU 52 8.181 0.005 0.331 402 HB2 LEU 52 2HB LEU 52 9.007 1.822 -1.940 403 HB3 LEU 52 3HB LEU 52 8.871 0.077 -2.030 404 HG LEU 52 HG LEU 52 6.587 2.001 -1.554 405 HD11 LEU 52 1HD1 LEU 52 7.293 0.345 -3.978 406 HD12 LEU 52 2HD1 LEU 52 7.397 2.100 -3.841 407 HD13 LEU 52 3HD1 LEU 52 5.826 1.304 -3.778 408 HD21 LEU 52 3HD2 LEU 52 6.170 -0.067 -0.383 409 HD22 LEU 52 1HD2 LEU 52 6.599 -1.009 -1.812 410 HD23 LEU 52 2HD2 LEU 52 5.154 0.002 -1.822 411 H ALA 53 H ALA 53 10.427 2.671 0.490 412 HA ALA 53 HA ALA 53 12.774 0.960 0.238 413 HB1 ALA 53 3HB ALA 53 12.769 3.202 -0.775 414 HB2 ALA 53 1HB ALA 53 14.059 3.014 0.411 415 HB3 ALA 53 2HB ALA 53 12.603 3.916 0.830 416 H ARG 54 H ARG 54 10.848 2.361 2.776 417 HA ARG 54 HA ARG 54 12.900 2.183 4.808 418 HB2 ARG 54 2HB ARG 54 9.962 2.868 4.887 419 HB3 ARG 54 3HB ARG 54 10.926 2.726 6.352 420 HG2 ARG 54 2HG ARG 54 12.393 4.505 5.598 421 HG3 ARG 54 3HG ARG 54 11.513 4.610 4.073 422 HD2 ARG 54 2HD ARG 54 9.567 5.446 5.155 423 HD3 ARG 54 3HD ARG 54 10.201 5.054 6.754 424 HE ARG 54 HE ARG 54 11.998 6.787 6.091 425 HH11 ARG 54 1HH1 ARG 54 8.675 6.990 5.201 426 HH12 ARG 54 2HH1 ARG 54 8.678 8.718 5.213 427 HH21 ARG 54 1HH2 ARG 54 11.969 9.006 6.105 428 HH22 ARG 54 2HH2 ARG 54 10.502 9.840 5.715 429 H TYR 55 H TYR 55 9.989 0.306 3.972 430 HA TYR 55 HA TYR 55 10.646 -1.658 6.047 431 HB2 TYR 55 2HB TYR 55 8.251 -1.396 4.217 432 HB3 TYR 55 3HB TYR 55 8.473 -2.722 5.354 433 HD1 TYR 55 HD2 TYR 55 7.851 0.905 5.051 434 HD2 TYR 55 HD1 TYR 55 8.076 -2.416 7.710 435 HE1 TYR 55 HE2 TYR 55 6.766 2.240 6.806 436 HE2 TYR 55 HE1 TYR 55 6.990 -1.086 9.470 437 HH TYR 55 HH TYR 55 6.729 1.387 10.023 438 HA PRO 56 HA PRO 56 12.842 -4.219 3.079 439 HB2 PRO 56 2HB PRO 56 12.298 -6.390 5.031 440 HB3 PRO 56 3HB PRO 56 13.840 -5.812 4.391 441 HG2 PRO 56 2HG PRO 56 13.103 -5.267 6.900 442 HG3 PRO 56 3HG PRO 56 13.972 -4.070 5.919 443 HD2 PRO 56 2HD PRO 56 11.044 -4.217 6.577 444 HD3 PRO 56 3HD PRO 56 12.116 -2.800 6.512 445 H LEU 57 H LEU 57 11.567 -4.571 1.302 446 HA LEU 57 HA LEU 57 9.590 -6.757 1.442 447 HB2 LEU 57 2HB LEU 57 9.243 -4.143 -0.043 448 HB3 LEU 57 3HB LEU 57 8.144 -5.505 -0.123 449 HG LEU 57 HG LEU 57 8.709 -3.875 2.364 450 HD11 LEU 57 1HD1 LEU 57 6.310 -3.873 0.529 451 HD12 LEU 57 2HD1 LEU 57 7.504 -2.584 0.684 452 HD13 LEU 57 3HD1 LEU 57 6.456 -2.979 2.045 453 HD21 LEU 57 3HD2 LEU 57 6.667 -6.050 1.867 454 HD22 LEU 57 1HD2 LEU 57 6.814 -5.078 3.333 455 HD23 LEU 57 2HD2 LEU 57 8.105 -6.189 2.880 456 H THR 58 H THR 58 9.387 -8.026 -0.422 457 HA THR 58 HA THR 58 11.542 -7.910 -2.357 458 HB THR 58 HB THR 58 10.511 -9.899 -3.369 459 HG1 THR 58 HG1 THR 58 8.624 -10.445 -1.532 460 HG21 THR 58 3HG2 THR 58 10.672 -10.047 -0.353 461 HG22 THR 58 1HG2 THR 58 12.009 -10.250 -1.483 462 HG23 THR 58 2HG2 THR 58 10.700 -11.433 -1.445 463 H GLU 59 H GLU 59 11.137 -7.837 -4.700 464 HA GLU 59 HA GLU 59 9.846 -5.543 -5.510 465 HB2 GLU 59 2HB GLU 59 10.392 -7.998 -7.196 466 HB3 GLU 59 3HB GLU 59 10.056 -6.388 -7.818 467 HG2 GLU 59 2HG GLU 59 12.430 -7.182 -6.137 468 HG3 GLU 59 3HG GLU 59 12.439 -6.869 -7.872 469 H SER 60 H SER 60 8.513 -8.843 -5.521 470 HA SER 60 HA SER 60 6.033 -8.257 -6.720 471 HB2 SER 60 2HB SER 60 6.710 -10.376 -4.660 472 HB3 SER 60 3HB SER 60 5.212 -10.321 -5.587 473 HG SER 60 HG SER 60 6.588 -11.688 -6.651 474 H GLN 61 H GLN 61 7.113 -7.963 -3.367 475 HA GLN 61 HA GLN 61 4.537 -7.379 -2.287 476 HB2 GLN 61 2HB GLN 61 7.306 -6.839 -1.194 477 HB3 GLN 61 3HB GLN 61 5.818 -6.600 -0.287 478 HG2 GLN 61 2HG GLN 61 5.311 -8.990 -0.489 479 HG3 GLN 61 3HG GLN 61 6.799 -9.229 -1.400 480 HE21 GLN 61 1HE2 GLN 61 5.431 -8.606 1.728 481 HE22 GLN 61 2HE2 GLN 61 6.858 -8.935 2.635 482 H LEU 62 H LEU 62 7.271 -5.295 -3.327 483 HA LEU 62 HA LEU 62 6.105 -2.816 -2.720 484 HB2 LEU 62 2HB LEU 62 8.011 -3.591 -4.927 485 HB3 LEU 62 3HB LEU 62 7.469 -1.941 -4.702 486 HG LEU 62 HG LEU 62 8.420 -2.144 -2.311 487 HD11 LEU 62 1HD1 LEU 62 9.864 -4.460 -3.588 488 HD12 LEU 62 2HD1 LEU 62 8.699 -4.559 -2.267 489 HD13 LEU 62 3HD1 LEU 62 10.237 -3.732 -2.025 490 HD21 LEU 62 3HD2 LEU 62 9.418 -0.763 -4.060 491 HD22 LEU 62 1HD2 LEU 62 10.288 -2.166 -4.686 492 HD23 LEU 62 2HD2 LEU 62 10.661 -1.539 -3.080 493 H ALA 63 H ALA 63 5.902 -4.730 -5.714 494 HA ALA 63 HA ALA 63 4.210 -3.051 -7.175 495 HB1 ALA 63 3HB ALA 63 5.401 -4.987 -8.122 496 HB2 ALA 63 1HB ALA 63 3.682 -4.998 -8.525 497 HB3 ALA 63 2HB ALA 63 4.301 -6.068 -7.266 498 H LEU 64 H LEU 64 3.423 -5.570 -4.804 499 HA LEU 64 HA LEU 64 0.617 -5.516 -5.074 500 HB2 LEU 64 2HB LEU 64 1.783 -7.287 -3.857 501 HB3 LEU 64 3HB LEU 64 2.304 -6.133 -2.641 502 HG LEU 64 HG LEU 64 -0.103 -5.752 -2.051 503 HD11 LEU 64 1HD1 LEU 64 -1.773 -7.367 -2.811 504 HD12 LEU 64 2HD1 LEU 64 -0.584 -8.102 -3.886 505 HD13 LEU 64 3HD1 LEU 64 -1.113 -6.442 -4.160 506 HD21 LEU 64 3HD2 LEU 64 1.306 -7.262 -0.743 507 HD22 LEU 64 1HD2 LEU 64 0.862 -8.602 -1.799 508 HD23 LEU 64 2HD2 LEU 64 -0.364 -7.824 -0.797 509 H VAL 65 H VAL 65 2.723 -3.767 -2.771 510 HA VAL 65 HA VAL 65 0.797 -2.351 -1.369 511 HB VAL 65 HB VAL 65 3.566 -1.400 -2.151 512 HG11 VAL 65 1HG1 VAL 65 1.763 -0.451 0.082 513 HG12 VAL 65 2HG1 VAL 65 2.185 0.458 -1.367 514 HG13 VAL 65 3HG1 VAL 65 3.430 0.062 -0.185 515 HG21 VAL 65 3HG2 VAL 65 3.601 -3.548 -0.983 516 HG22 VAL 65 1HG2 VAL 65 2.616 -2.873 0.314 517 HG23 VAL 65 2HG2 VAL 65 4.251 -2.268 0.043 518 H ARG 66 H ARG 66 2.327 -1.522 -4.457 519 HA ARG 66 HA ARG 66 1.094 0.974 -4.881 520 HB2 ARG 66 2HB ARG 66 2.004 -1.100 -6.893 521 HB3 ARG 66 3HB ARG 66 1.594 0.566 -7.284 522 HG2 ARG 66 2HG ARG 66 3.429 1.381 -5.940 523 HG3 ARG 66 3HG ARG 66 3.808 -0.259 -5.408 524 HD2 ARG 66 2HD ARG 66 5.317 0.511 -7.188 525 HD3 ARG 66 3HD ARG 66 4.374 -0.896 -7.681 526 HE ARG 66 HE ARG 66 2.867 0.911 -8.752 527 HH11 ARG 66 1HH1 ARG 66 6.304 1.053 -8.542 528 HH12 ARG 66 2HH1 ARG 66 6.455 2.012 -9.974 529 HH21 ARG 66 1HH2 ARG 66 3.079 2.113 -10.589 530 HH22 ARG 66 2HH2 ARG 66 4.652 2.583 -11.132 531 H ASP 67 H ASP 67 0.084 -2.294 -5.862 532 HA ASP 67 HA ASP 67 -2.297 -1.632 -7.174 533 HB2 ASP 67 2HB ASP 67 -1.273 -3.858 -7.271 534 HB3 ASP 67 3HB ASP 67 -1.630 -4.115 -5.568 535 H ILE 68 H ILE 68 -1.657 -2.250 -3.752 536 HA ILE 68 HA ILE 68 -4.319 -2.103 -2.829 537 HB ILE 68 HB ILE 68 -1.746 -1.513 -1.348 538 HG12 ILE 68 2HG1 ILE 68 -3.430 -4.037 -1.481 539 HG13 ILE 68 3HG1 ILE 68 -1.880 -3.801 -2.280 540 HG21 ILE 68 1HG2 ILE 68 -4.517 -2.041 -0.267 541 HG22 ILE 68 2HG2 ILE 68 -3.639 -0.514 -0.190 542 HG23 ILE 68 3HG2 ILE 68 -3.050 -1.915 0.704 543 HD11 ILE 68 3HD1 ILE 68 -1.613 -5.123 -0.283 544 HD12 ILE 68 1HD1 ILE 68 -2.364 -3.859 0.689 545 HD13 ILE 68 2HD1 ILE 68 -0.806 -3.568 -0.085 546 H ARG 69 H ARG 69 -1.839 0.422 -3.283 547 HA ARG 69 HA ARG 69 -3.384 2.509 -2.120 548 HB2 ARG 69 2HB ARG 69 -0.944 2.705 -2.420 549 HB3 ARG 69 3HB ARG 69 -1.164 2.743 -4.166 550 HG2 ARG 69 2HG ARG 69 -2.379 4.828 -4.016 551 HG3 ARG 69 3HG ARG 69 -2.325 4.770 -2.255 552 HD2 ARG 69 2HD ARG 69 0.141 4.920 -2.357 553 HD3 ARG 69 3HD ARG 69 0.043 5.040 -4.113 554 HE ARG 69 HE ARG 69 -0.844 7.208 -3.904 555 HH11 ARG 69 1HH1 ARG 69 -0.237 5.809 -0.815 556 HH12 ARG 69 2HH1 ARG 69 -0.238 7.337 -0.011 557 HH21 ARG 69 1HH2 ARG 69 -0.857 9.166 -2.834 558 HH22 ARG 69 2HH2 ARG 69 -0.565 9.198 -1.128 559 H ARG 70 H ARG 70 -3.040 1.362 -5.476 560 HA ARG 70 HA ARG 70 -4.683 3.268 -6.719 561 HB2 ARG 70 2HB ARG 70 -3.343 1.668 -7.993 562 HB3 ARG 70 3HB ARG 70 -4.310 0.335 -7.387 563 HG2 ARG 70 2HG ARG 70 -5.070 0.713 -9.574 564 HG3 ARG 70 3HG ARG 70 -6.297 1.422 -8.530 565 HD2 ARG 70 2HD ARG 70 -4.096 2.967 -9.908 566 HD3 ARG 70 3HD ARG 70 -5.747 2.822 -10.503 567 HE ARG 70 HE ARG 70 -4.977 4.201 -8.008 568 HH11 ARG 70 1HH1 ARG 70 -7.112 3.807 -10.694 569 HH12 ARG 70 2HH1 ARG 70 -8.033 5.213 -10.285 570 HH21 ARG 70 1HH2 ARG 70 -6.166 5.990 -7.522 571 HH22 ARG 70 2HH2 ARG 70 -7.504 6.433 -8.529 572 H ARG 71 H ARG 71 -5.496 0.300 -4.992 573 HA ARG 71 HA ARG 71 -8.308 0.388 -5.384 574 HB2 ARG 71 2HB ARG 71 -6.456 -0.983 -3.459 575 HB3 ARG 71 3HB ARG 71 -8.188 -1.029 -3.163 576 HG2 ARG 71 2HG ARG 71 -7.090 -1.845 -5.832 577 HG3 ARG 71 3HG ARG 71 -7.070 -2.964 -4.465 578 HD2 ARG 71 2HD ARG 71 -9.509 -1.593 -5.611 579 HD3 ARG 71 3HD ARG 71 -9.078 -3.292 -5.811 580 HE ARG 71 HE ARG 71 -9.157 -2.920 -3.108 581 HH11 ARG 71 1HH1 ARG 71 -11.436 -2.486 -5.666 582 HH12 ARG 71 2HH1 ARG 71 -12.792 -2.748 -4.626 583 HH21 ARG 71 1HH2 ARG 71 -10.873 -3.264 -1.816 584 HH22 ARG 71 2HH2 ARG 71 -12.478 -3.187 -2.466 585 H GLY 72 H GLY 72 -6.415 1.188 -2.459 586 HA2 GLY 72 2HA GLY 72 -8.590 2.197 -0.986 587 HA3 GLY 72 3HA GLY 72 -6.896 2.472 -0.625 588 H LYS 73 H LYS 73 -6.118 3.975 -2.865 589 HA LYS 73 HA LYS 73 -7.040 6.530 -2.039 590 HB2 LYS 73 2HB LYS 73 -4.776 5.762 -3.247 591 HB3 LYS 73 3HB LYS 73 -5.660 6.282 -4.675 592 HG2 LYS 73 2HG LYS 73 -4.411 8.157 -3.970 593 HG3 LYS 73 3HG LYS 73 -6.076 8.474 -3.474 594 HD2 LYS 73 2HD LYS 73 -5.481 7.596 -1.198 595 HD3 LYS 73 3HD LYS 73 -3.803 7.499 -1.730 596 HE2 LYS 73 2HE LYS 73 -4.008 9.537 -0.541 597 HE3 LYS 73 3HE LYS 73 -3.951 9.972 -2.248 598 HZ1 LYS 73 3HZ LYS 73 -6.374 9.828 -0.536 599 HZ2 LYS 73 1HZ LYS 73 -6.394 10.130 -2.202 600 HZ3 LYS 73 2HZ LYS 73 -5.656 11.227 -1.152 601 H ASN 74 H ASN 74 -7.855 4.473 -4.809 602 HA ASN 74 HA ASN 74 -9.574 6.335 -6.096 603 HB2 ASN 74 2HB ASN 74 -8.750 4.332 -7.246 604 HB3 ASN 74 3HB ASN 74 -9.635 3.301 -6.126 605 HD21 ASN 74 1HD2 ASN 74 -11.858 3.108 -6.346 606 HD22 ASN 74 2HD2 ASN 74 -12.707 3.667 -7.739 607 H LYS 75 H LYS 75 -10.067 3.932 -3.563 608 HA LYS 75 HA LYS 75 -12.837 4.081 -3.246 609 HB2 LYS 75 2HB LYS 75 -11.267 2.451 -2.145 610 HB3 LYS 75 3HB LYS 75 -10.772 3.727 -1.049 611 HG2 LYS 75 2HG LYS 75 -13.638 2.831 -1.253 612 HG3 LYS 75 3HG LYS 75 -12.473 2.018 -0.212 613 HD2 LYS 75 2HD LYS 75 -12.038 4.228 0.897 614 HD3 LYS 75 3HD LYS 75 -13.369 4.900 -0.048 615 HE2 LYS 75 2HE LYS 75 -13.537 2.658 1.966 616 HE3 LYS 75 3HE LYS 75 -14.149 4.297 2.166 617 HZ1 LYS 75 3HZ LYS 75 -15.692 3.894 0.349 618 HZ2 LYS 75 1HZ LYS 75 -15.915 2.776 1.595 619 HZ3 LYS 75 2HZ LYS 75 -15.116 2.314 0.181 620 H VAL 76 H VAL 76 -10.298 6.014 -1.622 621 HA VAL 76 HA VAL 76 -12.197 7.746 -0.344 622 HB VAL 76 HB VAL 76 -9.969 7.325 0.633 623 HG11 VAL 76 1HG1 VAL 76 -8.929 8.963 -1.680 624 HG12 VAL 76 2HG1 VAL 76 -8.614 7.254 -1.377 625 HG13 VAL 76 3HG1 VAL 76 -7.989 8.475 -0.270 626 HG21 VAL 76 3HG2 VAL 76 -10.504 10.229 -0.009 627 HG22 VAL 76 1HG2 VAL 76 -9.474 9.640 1.298 628 HG23 VAL 76 2HG2 VAL 76 -11.206 9.305 1.320 629 H ALA 77 H ALA 77 -10.448 7.824 -3.387 630 HA ALA 77 HA ALA 77 -10.818 10.511 -4.100 631 HB1 ALA 77 3HB ALA 77 -10.780 8.082 -5.899 632 HB2 ALA 77 1HB ALA 77 -9.380 9.025 -5.389 633 HB3 ALA 77 2HB ALA 77 -10.602 9.753 -6.434 634 H ALA 78 H ALA 78 -12.968 7.707 -4.499 635 HA ALA 78 HA ALA 78 -15.084 8.971 -5.825 636 HB1 ALA 78 3HB ALA 78 -16.499 7.180 -4.910 637 HB2 ALA 78 1HB ALA 78 -15.202 6.736 -3.798 638 HB3 ALA 78 2HB ALA 78 -14.973 6.555 -5.536 639 H GLN 79 H GLN 79 -14.152 9.013 -2.451 640 HA GLN 79 HA GLN 79 -16.526 10.367 -1.518 641 HB2 GLN 79 2HB GLN 79 -13.842 9.941 -0.176 642 HB3 GLN 79 3HB GLN 79 -15.287 10.555 0.617 643 HG2 GLN 79 2HG GLN 79 -16.424 8.442 0.235 644 HG3 GLN 79 3HG GLN 79 -15.019 7.823 -0.633 645 HE21 GLN 79 1HE2 GLN 79 -16.354 6.853 1.804 646 HE22 GLN 79 2HE2 GLN 79 -15.128 6.800 3.021 647 H ASN 80 H ASN 80 -13.424 11.291 -2.787 648 HA ASN 80 HA ASN 80 -13.963 14.132 -2.156 649 HB2 ASN 80 2HB ASN 80 -11.302 12.684 -2.227 650 HB3 ASN 80 3HB ASN 80 -11.472 14.435 -2.105 651 HD21 ASN 80 1HD2 ASN 80 -12.001 11.393 -0.487 652 HD22 ASN 80 2HD2 ASN 80 -12.193 12.055 1.098 653 H TYR 81 H TYR 81 -14.884 12.935 -4.537 654 HA TYR 81 HA TYR 81 -13.010 13.639 -6.646 655 HB2 TYR 81 2HB TYR 81 -14.466 11.629 -6.814 656 HB3 TYR 81 3HB TYR 81 -15.875 12.680 -6.856 657 HD1 TYR 81 HD1 TYR 81 -12.833 11.671 -8.702 658 HD2 TYR 81 HD2 TYR 81 -16.543 13.759 -8.895 659 HE1 TYR 81 HE1 TYR 81 -12.609 11.838 -11.143 660 HE2 TYR 81 HE2 TYR 81 -16.323 13.926 -11.337 661 HH TYR 81 HH TYR 81 -14.076 12.123 -13.107 662 H ARG 82 H ARG 82 -15.885 14.977 -5.137 663 HA ARG 82 HA ARG 82 -16.452 16.870 -7.228 664 HB2 ARG 82 2HB ARG 82 -17.444 16.960 -4.370 665 HB3 ARG 82 3HB ARG 82 -18.185 17.698 -5.784 666 HG2 ARG 82 2HG ARG 82 -17.928 14.729 -5.299 667 HG3 ARG 82 3HG ARG 82 -19.382 15.689 -5.022 668 HD2 ARG 82 2HD ARG 82 -18.006 15.413 -7.695 669 HD3 ARG 82 3HD ARG 82 -19.373 14.427 -7.176 670 HE ARG 82 HE ARG 82 -20.006 17.176 -6.950 671 HH11 ARG 82 1HH1 ARG 82 -19.610 14.683 -9.296 672 HH12 ARG 82 2HH1 ARG 82 -20.668 15.445 -10.431 673 HH21 ARG 82 1HH2 ARG 82 -21.375 18.122 -8.409 674 HH22 ARG 82 2HH2 ARG 82 -21.652 17.356 -9.936 675 H LYS 83 H LYS 83 -14.415 17.957 -7.472 676 HA LYS 83 HA LYS 83 -14.068 20.179 -5.622 677 HB2 LYS 83 2HB LYS 83 -11.626 19.728 -5.337 678 HB3 LYS 83 3HB LYS 83 -12.663 18.540 -4.565 679 HG2 LYS 83 2HG LYS 83 -11.132 17.148 -5.524 680 HG3 LYS 83 3HG LYS 83 -12.311 17.231 -6.834 681 HD2 LYS 83 2HD LYS 83 -10.925 19.090 -7.824 682 HD3 LYS 83 3HD LYS 83 -9.701 18.744 -6.600 683 HE2 LYS 83 2HE LYS 83 -9.070 17.599 -8.601 684 HE3 LYS 83 3HE LYS 83 -9.641 16.385 -7.455 685 HZ1 LYS 83 3HZ LYS 83 -11.803 16.435 -8.606 686 HZ2 LYS 83 1HZ LYS 83 -10.545 15.954 -9.626 687 HZ3 LYS 83 2HZ LYS 83 -11.170 17.518 -9.738 688 H ARG 84 H ARG 84 -12.688 21.879 -6.425 689 HA ARG 84 HA ARG 84 -11.965 23.337 -8.007 690 HB2 ARG 84 2HB ARG 84 -11.003 20.762 -9.261 691 HB3 ARG 84 3HB ARG 84 -10.545 22.360 -9.840 692 HG2 ARG 84 2HG ARG 84 -10.031 21.354 -7.040 693 HG3 ARG 84 3HG ARG 84 -8.857 21.297 -8.357 694 HD2 ARG 84 2HD ARG 84 -8.817 23.693 -8.510 695 HD3 ARG 84 3HD ARG 84 -10.162 23.839 -7.380 696 HE ARG 84 HE ARG 84 -8.717 23.365 -5.614 697 HH11 ARG 84 1HH1 ARG 84 -7.048 23.217 -8.633 698 HH12 ARG 84 2HH1 ARG 84 -5.490 23.293 -7.889 699 HH21 ARG 84 1HH2 ARG 84 -6.724 23.503 -4.688 700 HH22 ARG 84 2HH2 ARG 84 -5.309 23.477 -5.683 701 H LYS 85 H LYS 85 -14.681 22.035 -8.344 702 HA LYS 85 HA LYS 85 -15.109 22.700 -11.182 703 HB2 LYS 85 2HB LYS 85 -16.770 21.069 -9.252 704 HB3 LYS 85 3HB LYS 85 -17.354 21.572 -10.831 705 HG2 LYS 85 2HG LYS 85 -14.772 20.075 -10.669 706 HG3 LYS 85 3HG LYS 85 -16.283 19.193 -10.453 707 HD2 LYS 85 2HD LYS 85 -15.617 19.079 -12.774 708 HD3 LYS 85 3HD LYS 85 -17.070 20.065 -12.641 709 HE2 LYS 85 2HE LYS 85 -15.684 22.097 -12.785 710 HE3 LYS 85 3HE LYS 85 -14.242 21.094 -12.934 711 HZ1 LYS 85 3HZ LYS 85 -16.517 21.094 -14.843 712 HZ2 LYS 85 1HZ LYS 85 -15.083 20.210 -14.996 713 HZ3 LYS 85 2HZ LYS 85 -15.051 21.900 -15.080 714 H LEU 86 H LEU 86 -15.561 24.801 -11.378 715 HA LEU 86 HA LEU 86 -16.954 26.287 -9.322 716 HB2 LEU 86 2HB LEU 86 -15.965 27.136 -12.051 717 HB3 LEU 86 3HB LEU 86 -16.577 28.218 -10.813 718 HG LEU 86 HG LEU 86 -14.093 26.511 -10.549 719 HD11 LEU 86 1HD1 LEU 86 -12.859 28.616 -10.735 720 HD12 LEU 86 2HD1 LEU 86 -14.369 29.479 -11.036 721 HD13 LEU 86 3HD1 LEU 86 -13.792 28.283 -12.196 722 HD21 LEU 86 3HD2 LEU 86 -13.664 27.825 -8.527 723 HD22 LEU 86 1HD2 LEU 86 -15.173 26.922 -8.397 724 HD23 LEU 86 2HD2 LEU 86 -15.207 28.654 -8.731 725 H GLU 87 H GLU 87 -18.393 28.127 -10.877 726 HA GLU 87 HA GLU 87 -20.900 26.930 -11.137 727 HB2 GLU 87 2HB GLU 87 -20.586 29.338 -10.825 728 HB3 GLU 87 3HB GLU 87 -19.865 29.470 -12.422 729 HG2 GLU 87 2HG GLU 87 -22.004 28.748 -13.417 730 HG3 GLU 87 3HG GLU 87 -22.714 28.708 -11.804 731 H THR 88 H THR 88 -22.097 26.170 -12.871 732 HA THR 88 HA THR 88 -20.624 24.920 -14.972 733 HB THR 88 HB THR 88 -23.634 25.164 -14.716 734 HG1 THR 88 HG1 THR 88 -22.959 24.117 -12.900 735 HG21 THR 88 3HG2 THR 88 -23.662 23.118 -16.092 736 HG22 THR 88 1HG2 THR 88 -21.909 23.193 -16.237 737 HG23 THR 88 2HG2 THR 88 -22.906 24.463 -16.951 738 H ILE 89 H ILE 89 -19.769 26.181 -16.498 739 HA ILE 89 HA ILE 89 -20.983 28.514 -17.603 740 HB ILE 89 HB ILE 89 -19.143 28.438 -19.250 741 HG12 ILE 89 2HG1 ILE 89 -18.443 25.792 -17.928 742 HG13 ILE 89 3HG1 ILE 89 -19.048 25.996 -19.568 743 HG21 ILE 89 1HG2 ILE 89 -17.279 28.662 -17.665 744 HG22 ILE 89 2HG2 ILE 89 -18.252 27.893 -16.411 745 HG23 ILE 89 3HG2 ILE 89 -18.738 29.454 -17.070 746 HD11 ILE 89 3HD1 ILE 89 -16.419 27.028 -18.526 747 HD12 ILE 89 1HD1 ILE 89 -17.023 27.204 -20.174 748 HD13 ILE 89 2HD1 ILE 89 -16.650 25.602 -19.538 749 H VAL 90 H VAL 90 -20.868 28.496 -20.266 750 HA VAL 90 HA VAL 90 -23.089 26.912 -21.108 751 HB VAL 90 HB VAL 90 -21.134 28.464 -22.831 752 HG11 VAL 90 1HG1 VAL 90 -22.463 26.853 -24.103 753 HG12 VAL 90 2HG1 VAL 90 -22.941 28.506 -24.482 754 HG13 VAL 90 3HG1 VAL 90 -23.946 27.522 -23.419 755 HG21 VAL 90 3HG2 VAL 90 -22.144 29.917 -21.151 756 HG22 VAL 90 1HG2 VAL 90 -23.753 29.349 -21.603 757 HG23 VAL 90 2HG2 VAL 90 -22.793 30.282 -22.750 758 H GLN 91 H GLN 91 -22.780 24.748 -21.095 759 HA GLN 91 HA GLN 91 -20.474 23.292 -21.398 760 HB2 GLN 91 2HB GLN 91 -23.242 22.413 -22.241 761 HB3 GLN 91 3HB GLN 91 -21.891 21.349 -21.885 762 HG2 GLN 91 2HG GLN 91 -21.890 22.203 -19.553 763 HG3 GLN 91 3HG GLN 91 -23.329 23.149 -19.943 764 HE21 GLN 91 1HE2 GLN 91 -24.635 22.058 -18.469 765 HE22 GLN 91 2HE2 GLN 91 -25.142 20.426 -18.719
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