NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25103 | 2k6b | 15864 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 0 1HT GLY 0 33.888 -13.221 -3.256 2 H2 GLY 0 2HT GLY 0 33.621 -12.568 -1.720 3 H3 GLY 0 3HT GLY 0 34.359 -11.640 -2.905 4 HA2 GLY 0 1HA GLY 0 32.328 -11.630 -4.195 5 HA3 GLY 0 2HA GLY 0 31.581 -12.640 -2.959 6 H SER 1 H SER 1 30.700 -10.067 -3.835 7 HA SER 1 HA SER 1 29.864 -8.145 -3.081 8 HB2 SER 1 2HB SER 1 30.340 -9.366 -0.358 9 HB3 SER 1 1HB SER 1 29.273 -7.999 -0.702 10 HG SER 1 HG SER 1 28.936 -10.694 -1.154 11 H ALA 2 H ALA 2 32.814 -8.389 -3.415 12 HA ALA 2 HA ALA 2 34.039 -6.817 -1.365 13 HB1 ALA 2 1HB ALA 2 36.035 -6.871 -2.777 14 HB2 ALA 2 2HB ALA 2 35.081 -7.550 -4.097 15 HB3 ALA 2 3HB ALA 2 35.326 -8.478 -2.622 16 H ASP 3 H ASP 3 32.780 -6.209 -4.590 17 HA ASP 3 HA ASP 3 33.690 -3.535 -4.794 18 HB2 ASP 3 2HB ASP 3 31.345 -4.887 -6.166 19 HB3 ASP 3 1HB ASP 3 32.079 -3.368 -6.628 20 H GLU 4 H GLU 4 30.878 -5.139 -3.579 21 HA GLU 4 HA GLU 4 29.236 -2.877 -3.175 22 HB2 GLU 4 2HB GLU 4 28.627 -5.387 -3.250 23 HB3 GLU 4 1HB GLU 4 29.078 -5.401 -1.554 24 HG2 GLU 4 2HG GLU 4 26.683 -5.141 -1.804 25 HG3 GLU 4 1HG GLU 4 27.395 -3.688 -1.099 26 H GLU 5 H GLU 5 31.288 -4.778 -0.952 27 HA GLU 5 HA GLU 5 30.847 -3.072 1.242 28 HB2 GLU 5 2HB GLU 5 32.990 -5.119 0.719 29 HB3 GLU 5 1HB GLU 5 32.867 -4.222 2.227 30 HG2 GLU 5 2HG GLU 5 30.736 -6.009 1.082 31 HG3 GLU 5 1HG GLU 5 31.843 -6.432 2.388 32 H LEU 6 H LEU 6 33.143 -2.981 -1.358 33 HA LEU 6 HA LEU 6 34.862 -1.044 -0.258 34 HB2 LEU 6 2HB LEU 6 35.410 -2.390 -2.252 35 HB3 LEU 6 1HB LEU 6 34.151 -1.569 -3.145 36 HG LEU 6 HG LEU 6 35.387 0.557 -2.891 37 HD11 LEU 6 1HD1 LEU 6 37.728 0.482 -2.186 38 HD12 LEU 6 2HD1 LEU 6 37.512 -1.196 -1.678 39 HD13 LEU 6 3HD1 LEU 6 36.616 0.097 -0.875 40 HD21 LEU 6 3HD2 LEU 6 36.949 -1.688 -4.165 41 HD22 LEU 6 1HD2 LEU 6 37.144 0.030 -4.510 42 HD23 LEU 6 2HD2 LEU 6 35.632 -0.786 -4.910 43 H GLU 7 H GLU 7 32.030 -0.845 -2.368 44 HA GLU 7 HA GLU 7 31.945 1.955 -2.619 45 HB2 GLU 7 2HB GLU 7 30.758 0.115 -3.985 46 HB3 GLU 7 1HB GLU 7 29.541 0.146 -2.723 47 HG2 GLU 7 2HG GLU 7 28.794 1.514 -4.542 48 HG3 GLU 7 1HG GLU 7 29.203 2.560 -3.184 49 H ALA 8 H ALA 8 30.733 -0.303 -0.282 50 HA ALA 8 HA ALA 8 28.910 1.205 1.139 51 HB1 ALA 8 1HB ALA 8 30.803 -0.859 2.240 52 HB2 ALA 8 2HB ALA 8 29.255 -1.191 1.466 53 HB3 ALA 8 3HB ALA 8 29.308 -0.305 2.995 54 H LEU 9 H LEU 9 32.455 1.207 1.368 55 HA LEU 9 HA LEU 9 32.598 2.693 3.743 56 HB2 LEU 9 2HB LEU 9 34.526 2.372 1.466 57 HB3 LEU 9 1HB LEU 9 34.899 3.256 2.928 58 HG LEU 9 HG LEU 9 34.235 0.316 2.761 59 HD11 LEU 9 1HD1 LEU 9 36.433 0.834 1.853 60 HD12 LEU 9 2HD1 LEU 9 36.577 -0.009 3.398 61 HD13 LEU 9 3HD1 LEU 9 36.840 1.732 3.315 62 HD21 LEU 9 3HD2 LEU 9 34.979 2.055 5.116 63 HD22 LEU 9 1HD2 LEU 9 34.901 0.290 5.152 64 HD23 LEU 9 2HD2 LEU 9 33.446 1.240 4.853 65 H ARG 10 H ARG 10 32.459 3.616 0.415 66 HA ARG 10 HA ARG 10 32.803 6.401 0.771 67 HB2 ARG 10 2HB ARG 10 33.240 5.361 -1.337 68 HB3 ARG 10 1HB ARG 10 31.614 4.713 -1.413 69 HG2 ARG 10 2HG ARG 10 30.736 6.979 -1.687 70 HG3 ARG 10 1HG ARG 10 32.389 7.613 -1.632 71 HD2 ARG 10 2HD ARG 10 32.985 6.329 -3.565 72 HD3 ARG 10 1HD ARG 10 31.413 5.548 -3.586 73 HE ARG 10 HE ARG 10 31.383 8.420 -3.802 74 HH11 ARG 10 1HH1 ARG 10 31.172 5.290 -5.488 75 HH12 ARG 10 2HH1 ARG 10 30.806 5.983 -7.002 76 HH21 ARG 10 1HH2 ARG 10 30.805 9.333 -5.882 77 HH22 ARG 10 2HH2 ARG 10 30.564 8.312 -7.230 78 H ARG 11 H ARG 11 30.026 4.306 0.280 79 HA ARG 11 HA ARG 11 28.032 6.279 0.461 80 HB2 ARG 11 2HB ARG 11 28.053 3.312 0.668 81 HB3 ARG 11 1HB ARG 11 26.582 4.216 1.001 82 HG2 ARG 11 2HG ARG 11 26.343 4.895 -1.166 83 HG3 ARG 11 1HG ARG 11 28.074 4.795 -1.490 84 HD2 ARG 11 2HD ARG 11 26.671 3.041 -2.608 85 HD3 ARG 11 1HD ARG 11 28.011 2.454 -1.627 86 HE ARG 11 HE ARG 11 25.610 2.569 -0.146 87 HH11 ARG 11 1HH1 ARG 11 27.198 0.713 -2.694 88 HH12 ARG 11 2HH1 ARG 11 26.564 -0.795 -2.216 89 HH21 ARG 11 1HH2 ARG 11 24.774 0.499 0.567 90 HH22 ARG 11 2HH2 ARG 11 25.134 -0.912 -0.287 91 H GLN 12 H GLN 12 29.659 4.412 2.908 92 HA GLN 12 HA GLN 12 27.897 4.893 5.000 93 HB2 GLN 12 2HB GLN 12 29.771 3.274 5.098 94 HB3 GLN 12 1HB GLN 12 30.906 4.609 5.150 95 HG2 GLN 12 2HG GLN 12 30.144 5.277 7.297 96 HG3 GLN 12 1HG GLN 12 28.781 4.164 7.223 97 HE21 GLN 12 1HE2 GLN 12 32.205 4.463 7.725 98 HE22 GLN 12 2HE2 GLN 12 32.437 2.873 8.326 99 H ARG 13 H ARG 13 30.684 6.783 3.902 100 HA ARG 13 HA ARG 13 30.469 8.878 5.762 101 HB2 ARG 13 2HB ARG 13 31.584 8.769 2.989 102 HB3 ARG 13 1HB ARG 13 31.381 10.333 3.761 103 HG2 ARG 13 2HG ARG 13 33.645 9.518 4.010 104 HG3 ARG 13 1HG ARG 13 32.852 9.624 5.575 105 HD2 ARG 13 2HD ARG 13 32.390 7.190 5.422 106 HD3 ARG 13 1HD ARG 13 33.323 7.158 3.926 107 HE ARG 13 HE ARG 13 34.614 8.247 6.259 108 HH11 ARG 13 1HH1 ARG 13 34.165 5.444 4.157 109 HH12 ARG 13 2HH1 ARG 13 35.573 4.640 4.708 110 HH21 ARG 13 1HH2 ARG 13 36.557 7.139 6.998 111 HH22 ARG 13 2HH2 ARG 13 36.944 5.621 6.337 112 H LEU 14 H LEU 14 28.764 8.316 2.821 113 HA LEU 14 HA LEU 14 27.448 10.835 2.646 114 HB2 LEU 14 2HB LEU 14 27.953 9.167 0.798 115 HB3 LEU 14 1HB LEU 14 26.673 8.180 1.439 116 HG LEU 14 HG LEU 14 26.275 10.946 0.268 117 HD11 LEU 14 1HD1 LEU 14 25.388 9.750 -1.663 118 HD12 LEU 14 2HD1 LEU 14 25.860 8.218 -0.925 119 HD13 LEU 14 3HD1 LEU 14 27.093 9.389 -1.393 120 HD21 LEU 14 3HD2 LEU 14 24.274 8.769 0.919 121 HD22 LEU 14 1HD2 LEU 14 23.911 10.321 0.160 122 HD23 LEU 14 2HD2 LEU 14 24.482 10.263 1.829 123 H ALA 15 H ALA 15 26.528 7.610 3.880 124 HA ALA 15 HA ALA 15 23.829 8.339 4.303 125 HB1 ALA 15 1HB ALA 15 25.348 5.922 5.257 126 HB2 ALA 15 2HB ALA 15 24.473 6.058 3.733 127 HB3 ALA 15 3HB ALA 15 23.596 6.109 5.260 128 H GLU 16 H GLU 16 26.629 7.820 6.368 129 HA GLU 16 HA GLU 16 25.212 8.132 8.778 130 HB2 GLU 16 2HB GLU 16 28.179 8.385 8.340 131 HB3 GLU 16 1HB GLU 16 27.363 8.075 9.869 132 HG2 GLU 16 2HG GLU 16 27.414 6.288 7.469 133 HG3 GLU 16 1HG GLU 16 28.324 6.013 8.929 134 H LEU 17 H LEU 17 26.631 10.341 6.587 135 HA LEU 17 HA LEU 17 27.117 12.615 8.147 136 HB2 LEU 17 2HB LEU 17 27.466 12.173 5.586 137 HB3 LEU 17 1HB LEU 17 25.807 12.647 5.433 138 HG LEU 17 HG LEU 17 27.352 14.445 4.799 139 HD11 LEU 17 1HD1 LEU 17 25.172 15.120 5.577 140 HD12 LEU 17 2HD1 LEU 17 26.397 16.290 6.069 141 HD13 LEU 17 3HD1 LEU 17 25.748 15.147 7.242 142 HD21 LEU 17 3HD2 LEU 17 28.682 15.605 6.473 143 HD22 LEU 17 1HD2 LEU 17 29.190 13.929 6.278 144 HD23 LEU 17 2HD2 LEU 17 28.227 14.400 7.678 145 H GLN 18 H GLN 18 24.247 11.451 6.526 146 HA GLN 18 HA GLN 18 22.071 11.805 6.651 147 HB2 GLN 18 2HB GLN 18 22.652 12.667 9.486 148 HB3 GLN 18 1HB GLN 18 21.040 12.399 8.835 149 HG2 GLN 18 2HG GLN 18 21.652 10.074 8.352 150 HG3 GLN 18 1HG GLN 18 23.225 10.354 9.085 151 HE21 GLN 18 1HE2 GLN 18 21.089 8.513 9.787 152 HE22 GLN 18 2HE2 GLN 18 20.727 8.828 11.442 153 H ALA 19 H ALA 19 22.044 13.231 5.095 154 HA ALA 19 HA ALA 19 22.250 16.023 5.516 155 HB1 ALA 19 1HB ALA 19 20.884 14.532 3.274 156 HB2 ALA 19 2HB ALA 19 22.578 15.010 3.309 157 HB3 ALA 19 3HB ALA 19 21.317 16.240 3.273 158 H LYS 20 H LYS 20 20.916 16.983 6.911 159 HA LYS 20 HA LYS 20 18.060 16.412 6.884 160 HB2 LYS 20 2HB LYS 20 19.831 18.128 8.633 161 HB3 LYS 20 1HB LYS 20 18.094 18.245 8.675 162 HG2 LYS 20 2HG LYS 20 18.834 16.937 10.535 163 HG3 LYS 20 1HG LYS 20 18.032 15.851 9.404 164 HD2 LYS 20 2HD LYS 20 20.126 15.018 8.637 165 HD3 LYS 20 1HD LYS 20 21.003 16.260 9.522 166 HE2 LYS 20 2HE LYS 20 19.322 14.099 10.776 167 HE3 LYS 20 1HE LYS 20 21.075 14.054 10.627 168 HZ1 LYS 20 3HZ LYS 20 21.213 16.045 11.990 169 HZ2 LYS 20 1HZ LYS 20 20.407 14.825 12.823 170 HZ3 LYS 20 2HZ LYS 20 19.534 16.086 12.157 171 H HIS 21 H HIS 21 16.667 18.381 6.807 172 HA HIS 21 HA HIS 21 17.839 20.321 4.982 173 HB2 HIS 21 2HB HIS 21 15.449 21.010 4.404 174 HB3 HIS 21 1HB HIS 21 15.981 19.441 3.837 175 HD1 HIS 21 1HD HIS 21 13.277 21.103 5.753 176 HD2 HIS 21 2HD HIS 21 14.799 17.259 5.325 177 HE1 HIS 21 1HE HIS 21 11.435 19.567 6.396 178 HE2 HIS 21 2HE HIS 21 12.287 17.303 5.717 179 H GLY 22 H GLY 22 17.097 19.981 8.128 180 HA2 GLY 22 2HA GLY 22 18.082 21.663 9.529 181 HA3 GLY 22 1HA GLY 22 17.455 22.876 8.420 182 H ASP 23 H ASP 23 14.932 21.801 8.100 183 HA ASP 23 HA ASP 23 13.817 22.497 10.703 184 HB2 ASP 23 2HB ASP 23 11.927 23.441 9.509 185 HB3 ASP 23 1HB ASP 23 13.429 24.067 8.833 186 HA PRO 24 HA PRO 24 11.713 18.532 10.251 187 HB2 PRO 24 2HB PRO 24 10.418 18.527 12.579 188 HB3 PRO 24 1HB PRO 24 12.185 18.482 12.525 189 HG2 PRO 24 2HG PRO 24 10.390 20.696 13.301 190 HG3 PRO 24 1HG PRO 24 12.070 20.394 13.764 191 HD2 PRO 24 2HD PRO 24 11.066 22.142 11.703 192 HD3 PRO 24 1HD PRO 24 12.748 21.879 12.217 193 H GLY 25 H GLY 25 10.412 20.974 9.013 194 HA2 GLY 25 2HA GLY 25 7.649 20.041 9.254 195 HA3 GLY 25 1HA GLY 25 8.013 21.756 9.384 196 H ASP 26 H ASP 26 6.552 21.903 7.624 197 HA ASP 26 HA ASP 26 5.929 22.172 5.503 198 HB2 ASP 26 2HB ASP 26 7.536 23.987 5.711 199 HB3 ASP 26 1HB ASP 26 8.841 22.932 5.211 200 H ALA 27 H ALA 27 9.070 21.120 4.351 201 HA ALA 27 HA ALA 27 7.874 19.420 2.435 202 HB1 ALA 27 1HB ALA 27 10.131 18.785 1.852 203 HB2 ALA 27 2HB ALA 27 10.750 19.506 3.336 204 HB3 ALA 27 3HB ALA 27 10.041 20.529 2.085 205 H ALA 28 H ALA 28 9.098 18.965 5.634 206 HA ALA 28 HA ALA 28 9.342 16.139 5.513 207 HB1 ALA 28 1HB ALA 28 9.586 16.243 7.943 208 HB2 ALA 28 2HB ALA 28 9.058 17.926 7.922 209 HB3 ALA 28 3HB ALA 28 10.576 17.470 7.148 210 H GLN 29 H GLN 29 6.768 18.345 6.139 211 HA GLN 29 HA GLN 29 5.041 16.515 7.459 212 HB2 GLN 29 2HB GLN 29 4.396 19.093 6.022 213 HB3 GLN 29 1HB GLN 29 3.315 18.227 7.108 214 HG2 GLN 29 2HG GLN 29 4.813 18.613 8.959 215 HG3 GLN 29 1HG GLN 29 5.974 19.391 7.887 216 HE21 GLN 29 1HE2 GLN 29 2.523 19.869 7.663 217 HE22 GLN 29 2HE2 GLN 29 2.535 21.508 8.189 218 H GLN 30 H GLN 30 5.371 17.792 4.213 219 HA GLN 30 HA GLN 30 3.289 16.297 3.034 220 HB2 GLN 30 2HB GLN 30 4.312 18.343 2.033 221 HB3 GLN 30 1HB GLN 30 5.779 17.425 1.728 222 HG2 GLN 30 2HG GLN 30 4.425 17.650 -0.282 223 HG3 GLN 30 1HG GLN 30 4.562 15.963 0.213 224 HE21 GLN 30 1HE2 GLN 30 2.432 18.707 -0.030 225 HE22 GLN 30 2HE2 GLN 30 0.975 17.801 0.187 226 H GLU 31 H GLU 31 6.742 15.778 3.486 227 HA GLU 31 HA GLU 31 7.080 13.394 2.103 228 HB2 GLU 31 2HB GLU 31 8.920 14.716 3.064 229 HB3 GLU 31 1HB GLU 31 8.375 14.290 4.675 230 HG2 GLU 31 2HG GLU 31 8.830 11.926 4.178 231 HG3 GLU 31 1HG GLU 31 9.459 12.403 2.601 232 H ALA 32 H ALA 32 6.271 13.927 5.522 233 HA ALA 32 HA ALA 32 5.993 11.294 6.310 234 HB1 ALA 32 1HB ALA 32 4.441 13.675 7.327 235 HB2 ALA 32 2HB ALA 32 6.053 13.205 7.859 236 HB3 ALA 32 3HB ALA 32 4.675 12.146 8.175 237 H LYS 33 H LYS 33 3.565 13.486 5.010 238 HA LYS 33 HA LYS 33 1.400 11.682 5.142 239 HB2 LYS 33 2HB LYS 33 1.205 14.167 4.888 240 HB3 LYS 33 1HB LYS 33 1.814 14.008 3.257 241 HG2 LYS 33 2HG LYS 33 -0.591 14.228 3.172 242 HG3 LYS 33 1HG LYS 33 -0.063 12.611 2.675 243 HD2 LYS 33 2HD LYS 33 -2.042 12.491 4.102 244 HD3 LYS 33 1HD LYS 33 -0.654 11.701 4.842 245 HE2 LYS 33 2HE LYS 33 -0.284 13.837 6.139 246 HE3 LYS 33 1HE LYS 33 -1.836 14.395 5.510 247 HZ1 LYS 33 3HZ LYS 33 -2.030 13.404 7.697 248 HZ2 LYS 33 1HZ LYS 33 -1.337 11.980 7.108 249 HZ3 LYS 33 2HZ LYS 33 -2.871 12.473 6.553 250 H HIS 34 H HIS 34 3.765 12.402 2.642 251 HA HIS 34 HA HIS 34 2.699 10.754 0.646 252 HB2 HIS 34 2HB HIS 34 4.383 12.427 0.073 253 HB3 HIS 34 1HB HIS 34 5.557 11.658 1.124 254 HD1 HIS 34 1HD HIS 34 7.243 11.378 -0.828 255 HD2 HIS 34 2HD HIS 34 3.631 9.425 -1.471 256 HE1 HIS 34 1HE HIS 34 7.627 9.858 -2.769 257 HE2 HIS 34 2HE HIS 34 5.627 8.379 -2.676 258 H ARG 35 H ARG 35 4.961 10.069 3.287 259 HA ARG 35 HA ARG 35 5.445 7.401 2.463 260 HB2 ARG 35 2HB ARG 35 5.603 8.425 5.302 261 HB3 ARG 35 1HB ARG 35 6.344 6.960 4.683 262 HG2 ARG 35 2HG ARG 35 7.666 8.483 3.127 263 HG3 ARG 35 1HG ARG 35 7.107 9.813 4.142 264 HD2 ARG 35 2HD ARG 35 9.195 9.215 5.039 265 HD3 ARG 35 1HD ARG 35 8.014 8.452 6.109 266 HE ARG 35 HE ARG 35 9.283 6.980 3.910 267 HH11 ARG 35 1HH1 ARG 35 8.336 7.046 7.347 268 HH12 ARG 35 2HH1 ARG 35 9.145 5.596 7.709 269 HH21 ARG 35 1HH2 ARG 35 10.313 5.016 4.432 270 HH22 ARG 35 2HH2 ARG 35 10.277 4.407 6.036 271 H GLU 36 H GLU 36 2.878 8.864 4.342 272 HA GLU 36 HA GLU 36 1.743 6.524 5.415 273 HB2 GLU 36 2HB GLU 36 0.390 9.085 4.538 274 HB3 GLU 36 1HB GLU 36 -0.389 7.820 5.468 275 HG2 GLU 36 2HG GLU 36 1.313 8.237 7.266 276 HG3 GLU 36 1HG GLU 36 1.862 9.614 6.318 277 H ALA 37 H ALA 37 1.189 8.249 2.418 278 HA ALA 37 HA ALA 37 -0.730 6.429 1.416 279 HB1 ALA 37 1HB ALA 37 0.947 8.448 -0.056 280 HB2 ALA 37 2HB ALA 37 -0.636 8.742 0.668 281 HB3 ALA 37 3HB ALA 37 -0.479 7.622 -0.687 282 H GLU 38 H GLU 38 2.714 6.852 1.020 283 HA GLU 38 HA GLU 38 3.229 5.155 -1.101 284 HB2 GLU 38 2HB GLU 38 4.788 6.758 0.126 285 HB3 GLU 38 1HB GLU 38 5.040 5.451 1.271 286 HG2 GLU 38 2HG GLU 38 6.830 5.404 -0.273 287 HG3 GLU 38 1HG GLU 38 5.782 4.033 -0.636 288 H MET 39 H MET 39 3.123 4.398 2.350 289 HA MET 39 HA MET 39 3.858 1.682 2.000 290 HB2 MET 39 2HB MET 39 3.167 1.272 4.308 291 HB3 MET 39 1HB MET 39 4.084 2.764 4.203 292 HG2 MET 39 2HG MET 39 2.012 4.049 4.339 293 HG3 MET 39 1HG MET 39 1.089 2.548 4.408 294 HE1 MET 39 3HE MET 39 0.754 4.863 6.554 295 HE2 MET 39 1HE MET 39 0.728 3.934 8.053 296 HE3 MET 39 2HE MET 39 -0.130 3.337 6.631 297 H ARG 40 H ARG 40 0.738 3.255 2.014 298 HA ARG 40 HA ARG 40 -0.729 0.798 1.925 299 HB2 ARG 40 2HB ARG 40 -1.553 3.661 1.391 300 HB3 ARG 40 1HB ARG 40 -2.674 2.311 1.358 301 HG2 ARG 40 2HG ARG 40 -2.270 1.861 3.710 302 HG3 ARG 40 1HG ARG 40 -1.031 3.117 3.754 303 HD2 ARG 40 2HD ARG 40 -2.709 4.822 3.292 304 HD3 ARG 40 1HD ARG 40 -3.953 3.585 3.149 305 HE ARG 40 HE ARG 40 -3.947 3.290 5.464 306 HH11 ARG 40 1HH1 ARG 40 -1.570 5.799 4.555 307 HH12 ARG 40 2HH1 ARG 40 -1.439 6.389 6.150 308 HH21 ARG 40 1HH2 ARG 40 -3.770 4.198 7.573 309 HH22 ARG 40 2HH2 ARG 40 -2.673 5.477 7.883 310 H ASN 41 H ASN 41 0.347 3.195 -0.396 311 HA ASN 41 HA ASN 41 -0.919 2.162 -2.677 312 HB2 ASN 41 2HB ASN 41 -0.074 4.450 -2.582 313 HB3 ASN 41 1HB ASN 41 1.574 3.859 -2.435 314 HD21 ASN 41 1HD2 ASN 41 -1.107 4.386 -4.605 315 HD22 ASN 41 2HD2 ASN 41 -0.213 4.147 -6.053 316 H SER 42 H SER 42 2.347 1.620 -1.358 317 HA SER 42 HA SER 42 3.235 0.083 -3.505 318 HB2 SER 42 2HB SER 42 4.991 -0.776 -1.891 319 HB3 SER 42 1HB SER 42 4.905 0.977 -2.053 320 HG SER 42 HG SER 42 3.929 1.132 -0.143 321 H ILE 43 H ILE 43 1.745 -1.002 -0.444 322 HA ILE 43 HA ILE 43 1.975 -3.705 -1.179 323 HB ILE 43 HB ILE 43 0.341 -4.272 0.573 324 HG12 ILE 43 2HG1 ILE 43 -0.013 -1.265 0.955 325 HG13 ILE 43 1HG1 ILE 43 -1.220 -2.380 0.338 326 HG21 ILE 43 1HG2 ILE 43 1.595 -3.397 2.503 327 HG22 ILE 43 2HG2 ILE 43 2.395 -2.251 1.430 328 HG23 ILE 43 3HG2 ILE 43 2.639 -3.984 1.208 329 HD11 ILE 43 3HD1 ILE 43 -1.620 -1.770 2.656 330 HD12 ILE 43 1HD1 ILE 43 -0.046 -2.418 3.105 331 HD13 ILE 43 2HD1 ILE 43 -1.302 -3.496 2.493 332 H LEU 44 H LEU 44 -0.574 -1.364 -1.740 333 HA LEU 44 HA LEU 44 -2.378 -3.217 -2.887 334 HB2 LEU 44 2HB LEU 44 -2.143 -0.249 -3.320 335 HB3 LEU 44 1HB LEU 44 -3.469 -1.228 -3.904 336 HG LEU 44 HG LEU 44 -2.770 -0.711 -1.012 337 HD11 LEU 44 1HD1 LEU 44 -5.077 0.238 -2.696 338 HD12 LEU 44 2HD1 LEU 44 -3.735 1.218 -2.105 339 HD13 LEU 44 3HD1 LEU 44 -4.881 0.517 -0.965 340 HD21 LEU 44 3HD2 LEU 44 -5.040 -2.304 -2.209 341 HD22 LEU 44 1HD2 LEU 44 -4.880 -1.870 -0.505 342 HD23 LEU 44 2HD2 LEU 44 -3.699 -2.936 -1.248 343 H ALA 45 H ALA 45 0.253 -1.311 -4.258 344 HA ALA 45 HA ALA 45 -0.427 -1.922 -6.955 345 HB1 ALA 45 1HB ALA 45 1.679 -0.897 -7.532 346 HB2 ALA 45 2HB ALA 45 2.200 -0.949 -5.845 347 HB3 ALA 45 3HB ALA 45 0.849 0.077 -6.317 348 H GLN 46 H GLN 46 1.302 -3.578 -4.516 349 HA GLN 46 HA GLN 46 2.590 -5.342 -6.451 350 HB2 GLN 46 2HB GLN 46 2.725 -5.345 -3.439 351 HB3 GLN 46 1HB GLN 46 3.657 -6.388 -4.508 352 HG2 GLN 46 2HG GLN 46 4.671 -4.390 -5.505 353 HG3 GLN 46 1HG GLN 46 3.811 -3.398 -4.342 354 HE21 GLN 46 1HE2 GLN 46 6.656 -3.713 -4.710 355 HE22 GLN 46 2HE2 GLN 46 7.312 -4.256 -3.219 356 H VAL 47 H VAL 47 -0.024 -5.313 -4.195 357 HA VAL 47 HA VAL 47 -0.583 -8.160 -4.432 358 HB VAL 47 HB VAL 47 -1.890 -5.851 -2.997 359 HG11 VAL 47 1HG1 VAL 47 -3.335 -7.641 -1.897 360 HG12 VAL 47 2HG1 VAL 47 -2.960 -8.632 -3.346 361 HG13 VAL 47 3HG1 VAL 47 -3.741 -7.088 -3.504 362 HG21 VAL 47 3HG2 VAL 47 0.126 -6.616 -1.986 363 HG22 VAL 47 1HG2 VAL 47 -0.413 -8.294 -2.015 364 HG23 VAL 47 2HG2 VAL 47 -1.231 -7.124 -0.978 365 H LEU 48 H LEU 48 -2.089 -5.161 -5.471 366 HA LEU 48 HA LEU 48 -3.890 -6.722 -7.125 367 HB2 LEU 48 2HB LEU 48 -3.545 -3.760 -6.719 368 HB3 LEU 48 1HB LEU 48 -4.756 -4.490 -7.753 369 HG LEU 48 HG LEU 48 -4.614 -4.832 -4.738 370 HD11 LEU 48 1HD1 LEU 48 -6.507 -3.278 -4.668 371 HD12 LEU 48 2HD1 LEU 48 -6.370 -3.028 -6.411 372 HD13 LEU 48 3HD1 LEU 48 -5.071 -2.505 -5.335 373 HD21 LEU 48 3HD2 LEU 48 -5.729 -6.630 -5.966 374 HD22 LEU 48 1HD2 LEU 48 -6.777 -5.437 -6.722 375 HD23 LEU 48 2HD2 LEU 48 -6.869 -5.700 -4.979 376 H ASP 49 H ASP 49 -3.308 -7.084 -9.165 377 HA ASP 49 HA ASP 49 -0.914 -5.779 -10.049 378 HB2 ASP 49 2HB ASP 49 -1.521 -8.207 -10.648 379 HB3 ASP 49 1HB ASP 49 -2.607 -7.511 -11.854 380 H GLN 50 H GLN 50 -1.220 -5.170 -12.669 381 HA GLN 50 HA GLN 50 -2.072 -2.511 -12.505 382 HB2 GLN 50 2HB GLN 50 -1.605 -4.285 -14.863 383 HB3 GLN 50 1HB GLN 50 -1.906 -2.563 -14.978 384 HG2 GLN 50 2HG GLN 50 0.137 -2.161 -13.648 385 HG3 GLN 50 1HG GLN 50 0.398 -3.902 -13.575 386 HE21 GLN 50 1HE2 GLN 50 -0.841 -2.313 -16.435 387 HE22 GLN 50 2HE2 GLN 50 0.546 -2.564 -17.404 388 H SER 51 H SER 51 -3.678 -5.352 -13.681 389 HA SER 51 HA SER 51 -5.812 -4.148 -15.045 390 HB2 SER 51 2HB SER 51 -6.738 -6.517 -14.681 391 HB3 SER 51 1HB SER 51 -5.236 -6.356 -15.593 392 HG SER 51 HG SER 51 -5.524 -7.887 -13.613 393 H ALA 52 H ALA 52 -5.355 -5.408 -11.829 394 HA ALA 52 HA ALA 52 -8.004 -5.009 -10.950 395 HB1 ALA 52 1HB ALA 52 -5.466 -5.351 -9.371 396 HB2 ALA 52 2HB ALA 52 -6.563 -6.633 -9.885 397 HB3 ALA 52 3HB ALA 52 -7.103 -5.427 -8.713 398 H ARG 53 H ARG 53 -5.050 -3.037 -10.764 399 HA ARG 53 HA ARG 53 -6.262 -1.000 -9.211 400 HB2 ARG 53 2HB ARG 53 -3.781 -1.040 -10.844 401 HB3 ARG 53 1HB ARG 53 -4.503 0.533 -10.564 402 HG2 ARG 53 2HG ARG 53 -2.939 0.283 -8.823 403 HG3 ARG 53 1HG ARG 53 -4.494 -0.072 -8.102 404 HD2 ARG 53 2HD ARG 53 -3.183 -1.780 -7.270 405 HD3 ARG 53 1HD ARG 53 -3.997 -2.477 -8.632 406 HE ARG 53 HE ARG 53 -1.703 -3.147 -8.584 407 HH11 ARG 53 1HH1 ARG 53 -2.020 0.109 -10.215 408 HH12 ARG 53 2HH1 ARG 53 -0.509 -0.035 -10.930 409 HH21 ARG 53 1HH2 ARG 53 0.394 -3.153 -9.627 410 HH22 ARG 53 2HH2 ARG 53 0.869 -1.844 -10.602 411 H ALA 54 H ALA 54 -6.051 -1.418 -12.697 412 HA ALA 54 HA ALA 54 -7.274 0.999 -13.411 413 HB1 ALA 54 1HB ALA 54 -7.393 -1.657 -14.841 414 HB2 ALA 54 2HB ALA 54 -6.111 -0.455 -15.001 415 HB3 ALA 54 3HB ALA 54 -7.744 -0.079 -15.553 416 H ARG 55 H ARG 55 -8.641 -2.142 -12.570 417 HA ARG 55 HA ARG 55 -11.333 -1.428 -13.098 418 HB2 ARG 55 2HB ARG 55 -10.190 -3.757 -12.820 419 HB3 ARG 55 1HB ARG 55 -10.522 -3.513 -11.112 420 HG2 ARG 55 2HG ARG 55 -12.260 -4.826 -12.146 421 HG3 ARG 55 1HG ARG 55 -12.898 -3.252 -11.625 422 HD2 ARG 55 2HD ARG 55 -13.681 -3.935 -13.889 423 HD3 ARG 55 1HD ARG 55 -12.810 -2.411 -13.902 424 HE ARG 55 HE ARG 55 -11.447 -4.946 -14.596 425 HH11 ARG 55 1HH1 ARG 55 -12.482 -1.718 -15.647 426 HH12 ARG 55 2HH1 ARG 55 -11.423 -1.676 -16.967 427 HH21 ARG 55 1HH2 ARG 55 -10.091 -4.904 -16.302 428 HH22 ARG 55 2HH2 ARG 55 -9.939 -3.575 -17.380 429 H LEU 56 H LEU 56 -9.265 -1.326 -10.264 430 HA LEU 56 HA LEU 56 -11.178 -0.575 -8.349 431 HB2 LEU 56 2HB LEU 56 -8.884 -1.388 -7.859 432 HB3 LEU 56 1HB LEU 56 -8.238 0.118 -8.468 433 HG LEU 56 HG LEU 56 -9.437 1.310 -6.636 434 HD11 LEU 56 1HD1 LEU 56 -11.183 -0.309 -6.192 435 HD12 LEU 56 2HD1 LEU 56 -10.242 -0.010 -4.733 436 HD13 LEU 56 3HD1 LEU 56 -9.983 -1.487 -5.658 437 HD21 LEU 56 3HD2 LEU 56 -7.877 0.627 -4.880 438 HD22 LEU 56 1HD2 LEU 56 -7.073 0.743 -6.445 439 HD23 LEU 56 2HD2 LEU 56 -7.498 -0.837 -5.785 440 H SER 57 H SER 57 -9.117 1.334 -10.532 441 HA SER 57 HA SER 57 -9.798 3.880 -9.664 442 HB2 SER 57 2HB SER 57 -9.082 2.917 -12.439 443 HB3 SER 57 1HB SER 57 -9.020 4.589 -11.889 444 HG SER 57 HG SER 57 -7.663 3.297 -10.124 445 H ASN 58 H ASN 58 -11.260 1.880 -12.202 446 HA ASN 58 HA ASN 58 -13.315 3.731 -12.877 447 HB2 ASN 58 2HB ASN 58 -12.626 1.832 -14.358 448 HB3 ASN 58 1HB ASN 58 -13.392 0.719 -13.230 449 HD21 ASN 58 1HD2 ASN 58 -14.849 -0.029 -14.842 450 HD22 ASN 58 2HD2 ASN 58 -16.142 0.953 -15.397 451 H LEU 59 H LEU 59 -13.040 1.291 -10.420 452 HA LEU 59 HA LEU 59 -15.771 1.203 -9.679 453 HB2 LEU 59 2HB LEU 59 -13.714 -0.358 -9.080 454 HB3 LEU 59 1HB LEU 59 -13.540 0.730 -7.734 455 HG LEU 59 HG LEU 59 -14.743 -1.368 -7.150 456 HD11 LEU 59 1HD1 LEU 59 -16.396 1.129 -6.847 457 HD12 LEU 59 2HD1 LEU 59 -15.135 0.551 -5.751 458 HD13 LEU 59 3HD1 LEU 59 -16.622 -0.368 -5.946 459 HD21 LEU 59 3HD2 LEU 59 -16.892 -0.302 -8.971 460 HD22 LEU 59 1HD2 LEU 59 -17.025 -1.701 -7.913 461 HD23 LEU 59 2HD2 LEU 59 -15.886 -1.720 -9.262 462 H ALA 60 H ALA 60 -12.988 3.064 -8.644 463 HA ALA 60 HA ALA 60 -14.234 4.563 -6.592 464 HB1 ALA 60 1HB ALA 60 -12.324 6.062 -6.753 465 HB2 ALA 60 2HB ALA 60 -11.914 5.394 -8.330 466 HB3 ALA 60 3HB ALA 60 -11.772 4.388 -6.894 467 H LEU 61 H LEU 61 -14.112 4.869 -10.002 468 HA LEU 61 HA LEU 61 -15.075 7.511 -10.256 469 HB2 LEU 61 2HB LEU 61 -13.827 6.175 -11.977 470 HB3 LEU 61 1HB LEU 61 -15.303 5.240 -12.074 471 HG LEU 61 HG LEU 61 -15.305 8.173 -12.807 472 HD11 LEU 61 1HD1 LEU 61 -14.907 7.519 -15.135 473 HD12 LEU 61 2HD1 LEU 61 -14.634 5.855 -14.621 474 HD13 LEU 61 3HD1 LEU 61 -13.526 7.128 -14.112 475 HD21 LEU 61 3HD2 LEU 61 -16.966 5.828 -13.767 476 HD22 LEU 61 1HD2 LEU 61 -17.168 7.512 -14.252 477 HD23 LEU 61 2HD2 LEU 61 -17.484 7.031 -12.585 478 H VAL 62 H VAL 62 -16.645 4.336 -10.235 479 HA VAL 62 HA VAL 62 -19.183 5.561 -10.638 480 HB VAL 62 HB VAL 62 -20.208 3.300 -10.409 481 HG11 VAL 62 1HG1 VAL 62 -17.857 3.467 -12.276 482 HG12 VAL 62 2HG1 VAL 62 -19.463 4.118 -12.571 483 HG13 VAL 62 3HG1 VAL 62 -19.227 2.374 -12.447 484 HG21 VAL 62 3HG2 VAL 62 -18.744 1.322 -10.324 485 HG22 VAL 62 1HG2 VAL 62 -18.625 2.277 -8.841 486 HG23 VAL 62 2HG2 VAL 62 -17.360 2.388 -10.062 487 H LYS 63 H LYS 63 -17.756 3.913 -7.795 488 HA LYS 63 HA LYS 63 -19.176 5.719 -6.159 489 HB2 LYS 63 2HB LYS 63 -20.268 3.928 -4.765 490 HB3 LYS 63 1HB LYS 63 -21.030 4.235 -6.322 491 HG2 LYS 63 2HG LYS 63 -19.739 2.201 -7.140 492 HG3 LYS 63 1HG LYS 63 -19.355 1.898 -5.446 493 HD2 LYS 63 2HD LYS 63 -22.154 2.125 -6.573 494 HD3 LYS 63 1HD LYS 63 -21.318 0.608 -6.307 495 HE2 LYS 63 2HE LYS 63 -22.824 0.920 -4.499 496 HE3 LYS 63 1HE LYS 63 -21.207 1.202 -3.875 497 HZ1 LYS 63 3HZ LYS 63 -22.948 2.767 -3.093 498 HZ2 LYS 63 1HZ LYS 63 -23.116 3.356 -4.637 499 HZ3 LYS 63 2HZ LYS 63 -21.679 3.599 -3.780 500 HA PRO 64 HA PRO 64 -15.059 4.874 -4.574 501 HB2 PRO 64 2HB PRO 64 -14.978 7.142 -3.020 502 HB3 PRO 64 1HB PRO 64 -14.518 7.080 -4.725 503 HG2 PRO 64 2HG PRO 64 -17.070 7.992 -3.482 504 HG3 PRO 64 1HG PRO 64 -16.186 8.675 -4.856 505 HD2 PRO 64 2HD PRO 64 -18.378 7.168 -5.160 506 HD3 PRO 64 1HD PRO 64 -17.054 7.128 -6.341 507 H GLU 65 H GLU 65 -18.008 5.268 -2.833 508 HA GLU 65 HA GLU 65 -17.272 4.963 -0.166 509 HB2 GLU 65 2HB GLU 65 -19.598 3.477 -1.399 510 HB3 GLU 65 1HB GLU 65 -19.419 3.934 0.277 511 HG2 GLU 65 2HG GLU 65 -20.994 5.413 -0.552 512 HG3 GLU 65 1HG GLU 65 -19.482 6.328 -0.591 513 H LYS 66 H LYS 66 -17.865 2.493 -2.599 514 HA LYS 66 HA LYS 66 -17.189 0.438 -0.723 515 HB2 LYS 66 2HB LYS 66 -17.695 0.041 -3.670 516 HB3 LYS 66 1HB LYS 66 -17.745 -1.187 -2.412 517 HG2 LYS 66 2HG LYS 66 -19.629 1.084 -2.845 518 HG3 LYS 66 1HG LYS 66 -19.998 -0.644 -2.958 519 HD2 LYS 66 2HD LYS 66 -19.379 0.988 -0.474 520 HD3 LYS 66 1HD LYS 66 -20.926 0.280 -0.919 521 HE2 LYS 66 2HE LYS 66 -19.934 -1.959 -0.689 522 HE3 LYS 66 1HE LYS 66 -18.415 -1.221 -0.179 523 HZ1 LYS 66 3HZ LYS 66 -21.020 -1.004 1.241 524 HZ2 LYS 66 1HZ LYS 66 -19.577 -0.287 1.742 525 HZ3 LYS 66 2HZ LYS 66 -19.718 -1.954 1.712 526 H THR 67 H THR 67 -15.595 2.168 -3.254 527 HA THR 67 HA THR 67 -13.346 0.619 -3.650 528 HB THR 67 HB THR 67 -13.327 3.612 -3.296 529 HG1 THR 67 1HG THR 67 -14.270 2.048 -5.498 530 HG21 THR 67 3HG2 THR 67 -11.656 3.539 -5.070 531 HG22 THR 67 1HG2 THR 67 -11.874 1.794 -5.232 532 HG23 THR 67 2HG2 THR 67 -11.181 2.463 -3.759 533 H LYS 68 H LYS 68 -14.098 3.041 -1.168 534 HA LYS 68 HA LYS 68 -11.734 3.037 0.303 535 HB2 LYS 68 2HB LYS 68 -14.568 3.425 1.273 536 HB3 LYS 68 1HB LYS 68 -13.122 3.852 2.175 537 HG2 LYS 68 2HG LYS 68 -12.539 5.525 0.585 538 HG3 LYS 68 1HG LYS 68 -13.811 5.001 -0.516 539 HD2 LYS 68 2HD LYS 68 -14.526 6.998 0.624 540 HD3 LYS 68 1HD LYS 68 -15.494 5.643 1.192 541 HE2 LYS 68 2HE LYS 68 -14.872 7.057 3.041 542 HE3 LYS 68 1HE LYS 68 -14.070 5.499 3.199 543 HZ1 LYS 68 3HZ LYS 68 -12.049 6.499 2.289 544 HZ2 LYS 68 1HZ LYS 68 -12.547 7.323 3.667 545 HZ3 LYS 68 2HZ LYS 68 -12.814 7.973 2.125 546 H ALA 69 H ALA 69 -14.550 0.874 0.512 547 HA ALA 69 HA ALA 69 -13.651 -0.417 2.852 548 HB1 ALA 69 1HB ALA 69 -15.669 -1.312 0.799 549 HB2 ALA 69 2HB ALA 69 -16.015 -0.309 2.208 550 HB3 ALA 69 3HB ALA 69 -15.468 -1.971 2.422 551 H VAL 70 H VAL 70 -13.500 -1.192 -0.625 552 HA VAL 70 HA VAL 70 -12.185 -3.642 -0.053 553 HB VAL 70 HB VAL 70 -11.776 -3.916 -2.480 554 HG11 VAL 70 1HG1 VAL 70 -14.134 -4.073 -3.158 555 HG12 VAL 70 2HG1 VAL 70 -14.581 -3.104 -1.752 556 HG13 VAL 70 3HG1 VAL 70 -13.856 -4.696 -1.532 557 HG21 VAL 70 3HG2 VAL 70 -12.729 -2.315 -4.082 558 HG22 VAL 70 1HG2 VAL 70 -11.442 -1.586 -3.117 559 HG23 VAL 70 2HG2 VAL 70 -13.132 -1.239 -2.742 560 H GLU 71 H GLU 71 -10.968 -0.435 -0.879 561 HA GLU 71 HA GLU 71 -8.275 -1.141 -1.235 562 HB2 GLU 71 2HB GLU 71 -9.484 1.375 -0.032 563 HB3 GLU 71 1HB GLU 71 -7.767 1.206 -0.376 564 HG2 GLU 71 2HG GLU 71 -8.294 0.978 -2.759 565 HG3 GLU 71 1HG GLU 71 -10.012 1.121 -2.389 566 H ASN 72 H ASN 72 -10.095 -0.275 1.697 567 HA ASN 72 HA ASN 72 -8.099 -0.632 3.580 568 HB2 ASN 72 2HB ASN 72 -10.322 0.418 3.951 569 HB3 ASN 72 1HB ASN 72 -11.051 -1.179 3.863 570 HD21 ASN 72 1HD2 ASN 72 -9.079 0.940 5.647 571 HD22 ASN 72 2HD2 ASN 72 -9.104 0.099 7.144 572 H TYR 73 H TYR 73 -10.456 -2.900 2.214 573 HA TYR 73 HA TYR 73 -9.877 -5.050 3.857 574 HB2 TYR 73 2HB TYR 73 -11.882 -4.892 2.406 575 HB3 TYR 73 1HB TYR 73 -10.859 -5.221 1.009 576 HD1 TYR 73 1HD TYR 73 -12.098 -6.611 4.174 577 HD2 TYR 73 2HD TYR 73 -10.183 -7.450 0.477 578 HE1 TYR 73 1HE TYR 73 -12.332 -9.003 4.607 579 HE2 TYR 73 2HE TYR 73 -10.408 -9.854 0.901 580 HH TYR 73 HH TYR 73 -10.676 -11.355 2.868 581 H LEU 74 H LEU 74 -8.576 -4.204 0.662 582 HA LEU 74 HA LEU 74 -6.896 -6.433 0.479 583 HB2 LEU 74 2HB LEU 74 -6.967 -3.830 -0.965 584 HB3 LEU 74 1HB LEU 74 -5.523 -4.813 -1.081 585 HG LEU 74 HG LEU 74 -6.947 -5.178 -3.001 586 HD11 LEU 74 1HD1 LEU 74 -7.113 -7.592 -2.954 587 HD12 LEU 74 2HD1 LEU 74 -6.951 -7.586 -1.204 588 HD13 LEU 74 3HD1 LEU 74 -5.609 -7.040 -2.213 589 HD21 LEU 74 3HD2 LEU 74 -9.047 -6.128 -1.056 590 HD22 LEU 74 1HD2 LEU 74 -9.141 -6.266 -2.813 591 HD23 LEU 74 2HD2 LEU 74 -9.131 -4.676 -2.053 592 H ILE 75 H ILE 75 -6.346 -3.289 1.911 593 HA ILE 75 HA ILE 75 -3.618 -3.568 2.506 594 HB ILE 75 HB ILE 75 -5.814 -2.182 4.091 595 HG12 ILE 75 2HG1 ILE 75 -3.703 -1.065 2.225 596 HG13 ILE 75 1HG1 ILE 75 -5.399 -1.294 1.822 597 HG21 ILE 75 1HG2 ILE 75 -4.042 -0.941 5.271 598 HG22 ILE 75 2HG2 ILE 75 -2.824 -1.949 4.490 599 HG23 ILE 75 3HG2 ILE 75 -3.975 -2.671 5.611 600 HD11 ILE 75 3HD1 ILE 75 -6.019 0.347 3.513 601 HD12 ILE 75 1HD1 ILE 75 -4.901 1.028 2.331 602 HD13 ILE 75 2HD1 ILE 75 -4.319 0.562 3.931 603 H GLN 76 H GLN 76 -6.488 -4.763 4.182 604 HA GLN 76 HA GLN 76 -5.195 -5.862 6.465 605 HB2 GLN 76 2HB GLN 76 -7.697 -6.980 5.204 606 HB3 GLN 76 1HB GLN 76 -7.207 -7.087 6.886 607 HG2 GLN 76 2HG GLN 76 -8.141 -4.656 5.407 608 HG3 GLN 76 1HG GLN 76 -9.002 -5.554 6.657 609 HE21 GLN 76 1HE2 GLN 76 -8.245 -2.778 6.497 610 HE22 GLN 76 2HE2 GLN 76 -7.320 -2.407 7.897 611 H MET 77 H MET 77 -6.302 -7.240 3.438 612 HA MET 77 HA MET 77 -5.476 -9.881 3.881 613 HB2 MET 77 2HB MET 77 -7.127 -9.137 2.186 614 HB3 MET 77 1HB MET 77 -5.826 -8.412 1.262 615 HG2 MET 77 2HG MET 77 -4.890 -10.581 0.798 616 HG3 MET 77 1HG MET 77 -6.067 -11.347 1.865 617 HE1 MET 77 3HE MET 77 -6.710 -13.022 -0.152 618 HE2 MET 77 1HE MET 77 -5.568 -12.211 -1.221 619 HE3 MET 77 2HE MET 77 -7.231 -12.473 -1.743 620 H ALA 78 H ALA 78 -3.824 -7.124 2.413 621 HA ALA 78 HA ALA 78 -1.465 -8.471 1.667 622 HB1 ALA 78 1HB ALA 78 -0.478 -6.260 1.460 623 HB2 ALA 78 2HB ALA 78 -1.802 -5.570 2.394 624 HB3 ALA 78 3HB ALA 78 -2.118 -6.249 0.801 625 H ARG 79 H ARG 79 -2.549 -7.073 4.667 626 HA ARG 79 HA ARG 79 -0.021 -7.105 5.962 627 HB2 ARG 79 2HB ARG 79 -1.953 -5.682 6.694 628 HB3 ARG 79 1HB ARG 79 -2.771 -7.137 7.241 629 HG2 ARG 79 2HG ARG 79 -1.795 -6.049 9.144 630 HG3 ARG 79 1HG ARG 79 -0.892 -7.532 8.820 631 HD2 ARG 79 2HD ARG 79 0.677 -5.781 9.322 632 HD3 ARG 79 1HD ARG 79 0.807 -6.159 7.610 633 HE ARG 79 HE ARG 79 -0.992 -4.008 8.278 634 HH11 ARG 79 1HH1 ARG 79 2.294 -4.853 7.212 635 HH12 ARG 79 2HH1 ARG 79 2.699 -3.297 6.712 636 HH21 ARG 79 1HH2 ARG 79 -0.406 -1.816 7.635 637 HH22 ARG 79 2HH2 ARG 79 1.133 -1.521 6.981 638 H TYR 80 H TYR 80 -2.348 -9.522 5.252 639 HA TYR 80 HA TYR 80 -1.438 -11.386 7.234 640 HB2 TYR 80 2HB TYR 80 -3.255 -11.624 4.850 641 HB3 TYR 80 1HB TYR 80 -2.668 -13.069 5.659 642 HD1 TYR 80 2HD TYR 80 -4.644 -9.929 6.232 643 HD2 TYR 80 1HD TYR 80 -3.652 -13.829 7.625 644 HE1 TYR 80 2HE TYR 80 -6.417 -9.778 7.900 645 HE2 TYR 80 1HE TYR 80 -5.435 -13.686 9.300 646 HH TYR 80 HH TYR 80 -6.665 -12.061 10.454 647 H GLY 81 H GLY 81 -0.267 -10.317 4.242 648 HA2 GLY 81 2HA GLY 81 1.655 -10.850 3.103 649 HA3 GLY 81 1HA GLY 81 2.062 -11.914 4.435 650 H GLN 82 H GLN 82 -0.916 -12.267 2.727 651 HA GLN 82 HA GLN 82 -0.116 -14.989 2.062 652 HB2 GLN 82 2HB GLN 82 -2.486 -15.422 1.713 653 HB3 GLN 82 1HB GLN 82 -2.209 -14.683 3.282 654 HG2 GLN 82 2HG GLN 82 -2.977 -12.544 2.446 655 HG3 GLN 82 1HG GLN 82 -3.154 -13.220 0.829 656 HE21 GLN 82 1HE2 GLN 82 -4.826 -14.609 0.401 657 HE22 GLN 82 2HE2 GLN 82 -6.197 -14.757 1.444 658 H LEU 83 H LEU 83 0.245 -12.215 0.454 659 HA LEU 83 HA LEU 83 -0.949 -13.229 -1.975 660 HB2 LEU 83 2HB LEU 83 0.204 -10.510 -1.421 661 HB3 LEU 83 1HB LEU 83 -0.370 -11.039 -2.982 662 HG LEU 83 HG LEU 83 -2.039 -9.712 -2.063 663 HD11 LEU 83 1HD1 LEU 83 -2.898 -12.554 -1.668 664 HD12 LEU 83 2HD1 LEU 83 -2.836 -11.677 -3.191 665 HD13 LEU 83 3HD1 LEU 83 -3.954 -11.160 -1.927 666 HD21 LEU 83 3HD2 LEU 83 -1.299 -9.771 0.241 667 HD22 LEU 83 1HD2 LEU 83 -1.991 -11.375 0.439 668 HD23 LEU 83 2HD2 LEU 83 -3.046 -9.985 0.115 669 H SER 84 H SER 84 0.328 -14.809 -2.434 670 HA SER 84 HA SER 84 3.076 -14.304 -3.084 671 HB2 SER 84 2HB SER 84 1.291 -16.679 -3.657 672 HB3 SER 84 1HB SER 84 3.059 -16.686 -3.650 673 HG SER 84 HG SER 84 2.646 -15.817 -1.368 674 H GLU 85 H GLU 85 -0.033 -14.892 -4.595 675 HA GLU 85 HA GLU 85 0.985 -14.036 -7.193 676 HB2 GLU 85 2HB GLU 85 -1.580 -15.379 -6.405 677 HB3 GLU 85 1HB GLU 85 -1.208 -14.847 -8.027 678 HG2 GLU 85 2HG GLU 85 0.340 -16.895 -6.461 679 HG3 GLU 85 1HG GLU 85 -0.803 -17.224 -7.767 680 H LYS 86 H LYS 86 -0.490 -12.684 -8.427 681 HA LYS 86 HA LYS 86 -1.192 -10.294 -7.029 682 HB2 LYS 86 2HB LYS 86 -1.694 -11.147 -9.881 683 HB3 LYS 86 1HB LYS 86 -1.852 -9.519 -9.255 684 HG2 LYS 86 2HG LYS 86 0.710 -11.061 -9.267 685 HG3 LYS 86 1HG LYS 86 0.207 -9.963 -10.562 686 HD2 LYS 86 2HD LYS 86 0.150 -8.120 -8.996 687 HD3 LYS 86 1HD LYS 86 0.573 -9.207 -7.671 688 HE2 LYS 86 2HE LYS 86 2.489 -7.907 -8.512 689 HE3 LYS 86 1HE LYS 86 2.714 -9.650 -8.645 690 HZ1 LYS 86 3HZ LYS 86 3.423 -8.297 -10.602 691 HZ2 LYS 86 1HZ LYS 86 1.813 -7.966 -10.945 692 HZ3 LYS 86 2HZ LYS 86 2.392 -9.554 -10.978 693 H VAL 87 H VAL 87 -3.230 -9.582 -6.584 694 HA VAL 87 HA VAL 87 -5.407 -11.415 -6.862 695 HB VAL 87 HB VAL 87 -5.349 -8.527 -5.915 696 HG11 VAL 87 1HG1 VAL 87 -7.639 -8.916 -5.080 697 HG12 VAL 87 2HG1 VAL 87 -7.620 -10.532 -5.784 698 HG13 VAL 87 3HG1 VAL 87 -7.570 -9.117 -6.832 699 HG21 VAL 87 3HG2 VAL 87 -5.619 -11.101 -4.379 700 HG22 VAL 87 1HG2 VAL 87 -5.684 -9.483 -3.686 701 HG23 VAL 87 2HG2 VAL 87 -4.194 -10.068 -4.430 702 H SER 88 H SER 88 -6.443 -11.621 -8.638 703 HA SER 88 HA SER 88 -5.969 -9.904 -10.852 704 HB2 SER 88 2HB SER 88 -7.391 -11.661 -11.979 705 HB3 SER 88 1HB SER 88 -5.926 -12.263 -11.202 706 HG SER 88 HG SER 88 -7.331 -13.597 -10.324 707 H GLU 89 H GLU 89 -8.029 -9.472 -12.249 708 HA GLU 89 HA GLU 89 -9.624 -7.602 -10.926 709 HB2 GLU 89 2HB GLU 89 -10.149 -9.037 -13.521 710 HB3 GLU 89 1HB GLU 89 -11.006 -7.614 -12.959 711 HG2 GLU 89 2HG GLU 89 -8.968 -6.313 -13.059 712 HG3 GLU 89 1HG GLU 89 -8.070 -7.753 -13.540 713 H GLN 90 H GLN 90 -10.307 -10.912 -11.952 714 HA GLN 90 HA GLN 90 -12.966 -10.971 -11.091 715 HB2 GLN 90 2HB GLN 90 -12.831 -13.408 -11.164 716 HB3 GLN 90 1HB GLN 90 -12.038 -12.714 -12.568 717 HG2 GLN 90 2HG GLN 90 -9.871 -13.146 -11.614 718 HG3 GLN 90 1HG GLN 90 -10.603 -13.670 -10.103 719 HE21 GLN 90 1HE2 GLN 90 -9.689 -15.660 -10.171 720 HE22 GLN 90 2HE2 GLN 90 -10.169 -16.892 -11.268 721 H GLY 91 H GLY 91 -9.969 -11.488 -9.353 722 HA2 GLY 91 2HA GLY 91 -11.110 -12.557 -6.981 723 HA3 GLY 91 1HA GLY 91 -9.514 -11.828 -7.137 724 H LEU 92 H LEU 92 -10.086 -9.330 -7.955 725 HA LEU 92 HA LEU 92 -10.766 -7.983 -5.600 726 HB2 LEU 92 2HB LEU 92 -9.382 -6.991 -7.375 727 HB3 LEU 92 1HB LEU 92 -10.763 -6.974 -8.449 728 HG LEU 92 HG LEU 92 -11.874 -5.340 -6.953 729 HD11 LEU 92 1HD1 LEU 92 -10.551 -4.189 -5.245 730 HD12 LEU 92 2HD1 LEU 92 -9.239 -5.341 -5.494 731 HD13 LEU 92 3HD1 LEU 92 -10.791 -5.891 -4.862 732 HD21 LEU 92 3HD2 LEU 92 -10.472 -3.428 -7.568 733 HD22 LEU 92 1HD2 LEU 92 -10.631 -4.574 -8.900 734 HD23 LEU 92 2HD2 LEU 92 -9.145 -4.525 -7.948 735 H ILE 93 H ILE 93 -12.629 -8.773 -8.471 736 HA ILE 93 HA ILE 93 -14.967 -7.407 -7.689 737 HB ILE 93 HB ILE 93 -14.629 -9.690 -9.663 738 HG12 ILE 93 2HG1 ILE 93 -14.956 -6.720 -10.141 739 HG13 ILE 93 1HG1 ILE 93 -13.413 -7.561 -10.143 740 HG21 ILE 93 1HG2 ILE 93 -16.958 -9.546 -8.875 741 HG22 ILE 93 2HG2 ILE 93 -16.825 -9.035 -10.558 742 HG23 ILE 93 3HG2 ILE 93 -16.994 -7.830 -9.280 743 HD11 ILE 93 3HD1 ILE 93 -14.226 -7.165 -12.397 744 HD12 ILE 93 1HD1 ILE 93 -15.700 -8.066 -12.038 745 HD13 ILE 93 2HD1 ILE 93 -14.133 -8.887 -12.051 746 H GLU 94 H GLU 94 -13.854 -10.740 -7.120 747 HA GLU 94 HA GLU 94 -16.242 -11.692 -5.948 748 HB2 GLU 94 2HB GLU 94 -13.376 -12.501 -5.422 749 HB3 GLU 94 1HB GLU 94 -14.749 -13.312 -4.692 750 HG2 GLU 94 2HG GLU 94 -14.113 -13.146 -7.627 751 HG3 GLU 94 1HG GLU 94 -13.936 -14.558 -6.589 752 H ILE 95 H ILE 95 -13.427 -10.127 -4.567 753 HA ILE 95 HA ILE 95 -14.289 -10.055 -1.902 754 HB ILE 95 HB ILE 95 -12.478 -8.130 -3.409 755 HG12 ILE 95 2HG1 ILE 95 -11.817 -10.429 -1.551 756 HG13 ILE 95 1HG1 ILE 95 -11.703 -10.480 -3.306 757 HG21 ILE 95 1HG2 ILE 95 -12.882 -8.378 -0.439 758 HG22 ILE 95 2HG2 ILE 95 -13.394 -7.032 -1.451 759 HG23 ILE 95 3HG2 ILE 95 -11.676 -7.374 -1.244 760 HD11 ILE 95 3HD1 ILE 95 -9.522 -10.167 -2.282 761 HD12 ILE 95 1HD1 ILE 95 -10.094 -8.702 -1.482 762 HD13 ILE 95 2HD1 ILE 95 -9.974 -8.756 -3.240 763 H LEU 96 H LEU 96 -14.569 -7.657 -4.489 764 HA LEU 96 HA LEU 96 -15.937 -5.629 -3.240 765 HB2 LEU 96 2HB LEU 96 -15.035 -5.533 -5.509 766 HB3 LEU 96 1HB LEU 96 -16.274 -6.640 -6.054 767 HG LEU 96 HG LEU 96 -17.970 -4.903 -5.388 768 HD11 LEU 96 1HD1 LEU 96 -16.611 -3.580 -3.880 769 HD12 LEU 96 2HD1 LEU 96 -17.193 -2.585 -5.214 770 HD13 LEU 96 3HD1 LEU 96 -15.527 -3.153 -5.203 771 HD21 LEU 96 3HD2 LEU 96 -17.303 -5.323 -7.702 772 HD22 LEU 96 1HD2 LEU 96 -15.986 -4.163 -7.533 773 HD23 LEU 96 2HD2 LEU 96 -17.666 -3.621 -7.427 774 H LYS 97 H LYS 97 -17.228 -8.576 -4.673 775 HA LYS 97 HA LYS 97 -19.963 -8.053 -4.480 776 HB2 LYS 97 2HB LYS 97 -18.494 -10.671 -4.237 777 HB3 LYS 97 1HB LYS 97 -20.238 -10.536 -4.342 778 HG2 LYS 97 2HG LYS 97 -20.063 -9.605 -6.566 779 HG3 LYS 97 1HG LYS 97 -18.300 -9.605 -6.447 780 HD2 LYS 97 2HD LYS 97 -18.309 -12.039 -6.211 781 HD3 LYS 97 1HD LYS 97 -20.068 -12.028 -6.289 782 HE2 LYS 97 2HE LYS 97 -19.983 -11.184 -8.570 783 HE3 LYS 97 1HE LYS 97 -18.228 -11.092 -8.480 784 HZ1 LYS 97 3HZ LYS 97 -19.032 -13.076 -9.626 785 HZ2 LYS 97 1HZ LYS 97 -19.770 -13.615 -8.207 786 HZ3 LYS 97 2HZ LYS 97 -18.082 -13.449 -8.297 787 H LYS 98 H LYS 98 -17.770 -9.492 -2.026 788 HA LYS 98 HA LYS 98 -20.051 -9.800 -0.384 789 HB2 LYS 98 2HB LYS 98 -18.616 -10.882 1.318 790 HB3 LYS 98 1HB LYS 98 -18.522 -11.645 -0.249 791 HG2 LYS 98 2HG LYS 98 -16.347 -11.711 0.550 792 HG3 LYS 98 1HG LYS 98 -16.338 -10.317 -0.531 793 HD2 LYS 98 2HD LYS 98 -16.533 -8.814 1.321 794 HD3 LYS 98 1HD LYS 98 -16.737 -10.154 2.445 795 HE2 LYS 98 2HE LYS 98 -14.268 -9.665 0.789 796 HE3 LYS 98 1HE LYS 98 -14.450 -9.184 2.470 797 HZ1 LYS 98 3HZ LYS 98 -13.254 -11.278 2.268 798 HZ2 LYS 98 1HZ LYS 98 -14.533 -11.976 1.446 799 HZ3 LYS 98 2HZ LYS 98 -14.713 -11.540 3.060 800 H VAL 99 H VAL 99 -17.823 -7.373 -0.877 801 HA VAL 99 HA VAL 99 -18.347 -6.232 1.753 802 HB VAL 99 HB VAL 99 -16.602 -4.820 -0.335 803 HG11 VAL 99 1HG1 VAL 99 -17.193 -3.575 1.566 804 HG12 VAL 99 2HG1 VAL 99 -15.462 -4.043 1.592 805 HG13 VAL 99 3HG1 VAL 99 -16.630 -4.902 2.598 806 HG21 VAL 99 3HG2 VAL 99 -15.771 -7.145 -0.132 807 HG22 VAL 99 1HG2 VAL 99 -15.672 -6.920 1.613 808 HG23 VAL 99 2HG2 VAL 99 -14.662 -5.949 0.543 809 H SER 100 H SER 100 -19.855 -6.187 -1.249 810 HA SER 100 HA SER 100 -20.381 -3.656 -1.973 811 HB2 SER 100 2HB SER 100 -22.417 -4.521 -3.026 812 HB3 SER 100 1HB SER 100 -21.032 -5.579 -3.279 813 HG SER 100 HG SER 100 -23.382 -6.104 -2.159 814 H GLN 101 H GLN 101 -22.286 -5.422 0.451 815 HA GLN 101 HA GLN 101 -23.615 -2.904 1.096 816 HB2 GLN 101 2HB GLN 101 -24.978 -5.018 1.049 817 HB3 GLN 101 1HB GLN 101 -23.992 -5.644 2.360 818 HG2 GLN 101 2HG GLN 101 -24.771 -3.859 3.823 819 HG3 GLN 101 1HG GLN 101 -25.742 -3.199 2.513 820 HE21 GLN 101 1HE2 GLN 101 -26.580 -4.157 5.111 821 HE22 GLN 101 2HE2 GLN 101 -27.725 -5.411 4.816 822 H GLN 102 H GLN 102 -22.238 -5.465 3.076 823 HA GLN 102 HA GLN 102 -19.989 -4.160 3.932 824 HB2 GLN 102 2HB GLN 102 -20.512 -3.631 6.300 825 HB3 GLN 102 1HB GLN 102 -21.317 -2.572 5.155 826 HG2 GLN 102 2HG GLN 102 -23.396 -3.563 5.544 827 HG3 GLN 102 1HG GLN 102 -22.593 -4.954 6.297 828 HE21 GLN 102 1HE2 GLN 102 -24.666 -3.011 7.274 829 HE22 GLN 102 2HE2 GLN 102 -24.056 -2.430 8.773 830 H THR 103 H THR 103 -18.885 -5.904 3.905 831 HA THR 103 HA THR 103 -19.243 -7.676 6.085 832 HB THR 103 HB THR 103 -19.213 -8.861 3.276 833 HG1 THR 103 1HG THR 103 -21.197 -8.122 4.914 834 HG21 THR 103 3HG2 THR 103 -19.266 -10.214 5.986 835 HG22 THR 103 1HG2 THR 103 -17.888 -10.152 4.893 836 HG23 THR 103 2HG2 THR 103 -19.345 -11.041 4.425 837 H GLU 104 H GLU 104 -17.514 -6.518 6.637 838 HA GLU 104 HA GLU 104 -15.088 -7.853 6.094 839 HB2 GLU 104 2HB GLU 104 -13.731 -5.851 5.454 840 HB3 GLU 104 1HB GLU 104 -14.819 -6.415 4.214 841 HG2 GLU 104 2HG GLU 104 -14.878 -4.053 4.136 842 HG3 GLU 104 1HG GLU 104 -16.387 -4.561 4.876 843 H LYS 105 H LYS 105 -17.086 -6.070 8.025 844 HA LYS 105 HA LYS 105 -15.104 -5.126 9.833 845 HB2 LYS 105 2HB LYS 105 -17.489 -4.158 9.344 846 HB3 LYS 105 1HB LYS 105 -18.052 -5.435 10.398 847 HG2 LYS 105 2HG LYS 105 -16.076 -3.322 11.231 848 HG3 LYS 105 1HG LYS 105 -17.810 -3.202 11.473 849 HD2 LYS 105 2HD LYS 105 -17.752 -5.158 12.916 850 HD3 LYS 105 1HD LYS 105 -16.021 -5.345 12.618 851 HE2 LYS 105 2HE LYS 105 -15.577 -3.207 13.628 852 HE3 LYS 105 1HE LYS 105 -17.295 -2.905 13.847 853 HZ1 LYS 105 3HZ LYS 105 -16.301 -3.630 15.888 854 HZ2 LYS 105 1HZ LYS 105 -15.704 -5.039 15.177 855 HZ3 LYS 105 2HZ LYS 105 -17.367 -4.797 15.359 856 H THR 106 H THR 106 -14.011 -6.937 10.297 857 HA THR 106 HA THR 106 -15.370 -9.199 11.461 858 HB THR 106 HB THR 106 -13.457 -9.567 9.900 859 HG1 THR 106 1HG THR 106 -13.923 -11.072 11.579 860 HG21 THR 106 3HG2 THR 106 -11.785 -8.295 12.077 861 HG22 THR 106 1HG2 THR 106 -12.088 -7.611 10.479 862 HG23 THR 106 2HG2 THR 106 -11.148 -9.097 10.641 863 H THR 107 H THR 107 -14.744 -9.938 13.643 864 HA THR 107 HA THR 107 -14.647 -7.710 15.423 865 HB THR 107 HB THR 107 -14.697 -10.669 16.088 866 HG1 THR 107 1HG THR 107 -16.742 -8.763 15.560 867 HG21 THR 107 3HG2 THR 107 -15.542 -8.214 17.658 868 HG22 THR 107 1HG2 THR 107 -14.122 -9.202 17.994 869 HG23 THR 107 2HG2 THR 107 -15.739 -9.882 18.196 870 H THR 108 H THR 108 -12.614 -7.013 14.726 871 HA THR 108 HA THR 108 -10.452 -7.657 16.457 872 HB THR 108 HB THR 108 -10.049 -7.960 13.434 873 HG1 THR 108 1HG THR 108 -10.837 -9.761 15.210 874 HG21 THR 108 3HG2 THR 108 -7.763 -8.658 14.033 875 HG22 THR 108 1HG2 THR 108 -8.131 -8.369 15.731 876 HG23 THR 108 2HG2 THR 108 -8.101 -7.020 14.598 877 H VAL 109 H VAL 109 -9.119 -5.732 16.511 878 HA VAL 109 HA VAL 109 -10.319 -3.510 15.157 879 HB VAL 109 HB VAL 109 -8.604 -2.106 16.416 880 HG11 VAL 109 1HG1 VAL 109 -9.744 -2.359 18.578 881 HG12 VAL 109 2HG1 VAL 109 -10.402 -3.903 18.045 882 HG13 VAL 109 3HG1 VAL 109 -10.881 -2.410 17.233 883 HG21 VAL 109 3HG2 VAL 109 -6.914 -3.870 16.761 884 HG22 VAL 109 1HG2 VAL 109 -8.039 -4.741 17.799 885 HG23 VAL 109 2HG2 VAL 109 -7.420 -3.166 18.296 886 H LYS 110 H LYS 110 -9.916 -3.540 13.093 887 HA LYS 110 HA LYS 110 -7.191 -3.970 12.219 888 HB2 LYS 110 2HB LYS 110 -8.078 -4.096 9.933 889 HB3 LYS 110 1HB LYS 110 -8.822 -5.257 11.008 890 HG2 LYS 110 2HG LYS 110 -10.837 -3.853 11.122 891 HG3 LYS 110 1HG LYS 110 -10.075 -2.684 10.033 892 HD2 LYS 110 2HD LYS 110 -9.856 -4.400 8.314 893 HD3 LYS 110 1HD LYS 110 -10.568 -5.593 9.389 894 HE2 LYS 110 2HE LYS 110 -12.205 -4.864 7.781 895 HE3 LYS 110 1HE LYS 110 -12.669 -4.291 9.375 896 HZ1 LYS 110 3HZ LYS 110 -12.113 -2.089 8.793 897 HZ2 LYS 110 1HZ LYS 110 -12.917 -2.748 7.486 898 HZ3 LYS 110 2HZ LYS 110 -11.256 -2.554 7.394 899 H PHE 111 H PHE 111 -6.055 -2.561 11.013 900 HA PHE 111 HA PHE 111 -6.568 0.187 11.681 901 HB2 PHE 111 2HB PHE 111 -4.227 -1.134 10.298 902 HB3 PHE 111 1HB PHE 111 -4.305 0.573 10.711 903 HD1 PHE 111 1HD PHE 111 -3.936 -2.830 12.033 904 HD2 PHE 111 2HD PHE 111 -4.058 1.315 12.996 905 HE1 PHE 111 1HE PHE 111 -3.013 -3.328 14.252 906 HE2 PHE 111 2HE PHE 111 -3.135 0.823 15.222 907 HZ PHE 111 HZ PHE 111 -2.610 -1.499 15.854 908 H ASN 112 H ASN 112 -6.008 1.835 9.978 909 HA ASN 112 HA ASN 112 -7.302 1.198 7.419 910 HB2 ASN 112 2HB ASN 112 -7.554 3.744 9.055 911 HB3 ASN 112 1HB ASN 112 -8.214 3.521 7.446 912 HD21 ASN 112 1HD2 ASN 112 -9.514 4.240 9.922 913 HD22 ASN 112 2HD2 ASN 112 -10.742 3.056 10.191 Start of MODEL 2 1 H1 GLY 0 1HT GLY 0 10.011 42.255 20.630 2 H2 GLY 0 2HT GLY 0 9.321 42.503 22.149 3 H3 GLY 0 3HT GLY 0 9.365 40.957 21.486 4 HA2 GLY 0 1HA GLY 0 11.728 42.548 22.270 5 HA3 GLY 0 2HA GLY 0 11.053 41.195 23.175 6 H SER 1 H SER 1 11.603 39.141 22.591 7 HA SER 1 HA SER 1 13.793 38.653 20.962 8 HB2 SER 1 2HB SER 1 11.621 36.755 21.843 9 HB3 SER 1 1HB SER 1 13.258 36.320 21.351 10 HG SER 1 HG SER 1 13.024 36.400 23.603 11 H ALA 2 H ALA 2 13.885 38.756 18.832 12 HA ALA 2 HA ALA 2 11.850 39.299 17.063 13 HB1 ALA 2 1HB ALA 2 14.467 37.960 16.428 14 HB2 ALA 2 2HB ALA 2 14.218 39.696 16.616 15 HB3 ALA 2 3HB ALA 2 13.437 38.831 15.292 16 H ASP 3 H ASP 3 13.362 36.174 17.668 17 HA ASP 3 HA ASP 3 11.920 34.767 15.696 18 HB2 ASP 3 2HB ASP 3 12.918 32.788 16.664 19 HB3 ASP 3 1HB ASP 3 14.126 34.052 16.532 20 H GLU 4 H GLU 4 11.416 35.405 19.042 21 HA GLU 4 HA GLU 4 9.336 33.512 19.486 22 HB2 GLU 4 2HB GLU 4 10.884 34.725 21.174 23 HB3 GLU 4 1HB GLU 4 9.776 36.073 21.017 24 HG2 GLU 4 2HG GLU 4 9.008 33.324 21.992 25 HG3 GLU 4 1HG GLU 4 9.425 34.675 23.030 26 H GLU 5 H GLU 5 9.391 37.035 18.889 27 HA GLU 5 HA GLU 5 6.636 37.558 18.844 28 HB2 GLU 5 2HB GLU 5 8.668 38.855 17.031 29 HB3 GLU 5 1HB GLU 5 7.113 39.508 17.494 30 HG2 GLU 5 2HG GLU 5 9.528 39.146 19.239 31 HG3 GLU 5 1HG GLU 5 8.841 40.645 18.628 32 H LEU 6 H LEU 6 8.842 36.627 16.274 33 HA LEU 6 HA LEU 6 7.137 36.774 14.105 34 HB2 LEU 6 2HB LEU 6 9.595 36.496 13.964 35 HB3 LEU 6 1HB LEU 6 9.441 34.863 14.554 36 HG LEU 6 HG LEU 6 9.904 35.129 12.075 37 HD11 LEU 6 1HD1 LEU 6 8.363 33.367 11.347 38 HD12 LEU 6 2HD1 LEU 6 7.421 33.592 12.822 39 HD13 LEU 6 3HD1 LEU 6 9.085 33.013 12.915 40 HD21 LEU 6 3HD2 LEU 6 8.041 35.663 10.606 41 HD22 LEU 6 1HD2 LEU 6 8.430 37.021 11.661 42 HD23 LEU 6 2HD2 LEU 6 7.021 36.012 12.003 43 H GLU 7 H GLU 7 7.885 33.939 16.122 44 HA GLU 7 HA GLU 7 6.064 32.302 14.749 45 HB2 GLU 7 2HB GLU 7 7.254 31.977 17.481 46 HB3 GLU 7 1HB GLU 7 6.308 30.742 16.656 47 HG2 GLU 7 2HG GLU 7 7.978 30.776 14.832 48 HG3 GLU 7 1HG GLU 7 8.938 31.901 15.793 49 H ALA 8 H ALA 8 5.725 34.301 17.610 50 HA ALA 8 HA ALA 8 3.246 33.302 18.465 51 HB1 ALA 8 1HB ALA 8 4.306 36.121 18.728 52 HB2 ALA 8 2HB ALA 8 4.644 34.789 19.834 53 HB3 ALA 8 3HB ALA 8 3.000 35.409 19.678 54 H LEU 9 H LEU 9 4.009 35.949 16.233 55 HA LEU 9 HA LEU 9 1.309 36.539 15.667 56 HB2 LEU 9 2HB LEU 9 3.846 37.178 14.179 57 HB3 LEU 9 1HB LEU 9 2.282 37.876 13.826 58 HG LEU 9 HG LEU 9 3.827 38.231 16.405 59 HD11 LEU 9 1HD1 LEU 9 4.138 40.532 15.668 60 HD12 LEU 9 2HD1 LEU 9 3.332 40.156 14.148 61 HD13 LEU 9 3HD1 LEU 9 4.872 39.391 14.545 62 HD21 LEU 9 3HD2 LEU 9 1.244 39.483 15.472 63 HD22 LEU 9 1HD2 LEU 9 2.126 39.924 16.934 64 HD23 LEU 9 2HD2 LEU 9 1.426 38.315 16.779 65 H ARG 10 H ARG 10 3.830 34.733 13.973 66 HA ARG 10 HA ARG 10 2.361 34.219 11.638 67 HB2 ARG 10 2HB ARG 10 4.807 34.109 11.772 68 HB3 ARG 10 1HB ARG 10 4.685 32.667 12.759 69 HG2 ARG 10 2HG ARG 10 3.671 31.458 10.905 70 HG3 ARG 10 1HG ARG 10 3.748 32.918 9.911 71 HD2 ARG 10 2HD ARG 10 6.187 32.939 10.178 72 HD3 ARG 10 1HD ARG 10 6.088 31.449 11.109 73 HE ARG 10 HE ARG 10 4.902 30.692 8.879 74 HH11 ARG 10 1HH1 ARG 10 7.915 32.514 9.323 75 HH12 ARG 10 2HH1 ARG 10 8.591 32.046 7.849 76 HH21 ARG 10 1HH2 ARG 10 5.853 29.992 6.877 77 HH22 ARG 10 2HH2 ARG 10 7.406 30.531 6.427 78 H ARG 11 H ARG 11 2.693 32.280 14.603 79 HA ARG 11 HA ARG 11 1.436 30.005 13.512 80 HB2 ARG 11 2HB ARG 11 1.814 30.835 16.398 81 HB3 ARG 11 1HB ARG 11 1.125 29.283 15.925 82 HG2 ARG 11 2HG ARG 11 3.179 28.672 14.799 83 HG3 ARG 11 1HG ARG 11 3.863 30.260 15.118 84 HD2 ARG 11 2HD ARG 11 4.787 28.677 16.683 85 HD3 ARG 11 1HD ARG 11 3.723 29.777 17.549 86 HE ARG 11 HE ARG 11 2.172 27.626 16.876 87 HH11 ARG 11 1HH1 ARG 11 5.133 28.055 18.803 88 HH12 ARG 11 2HH1 ARG 11 4.787 26.758 19.830 89 HH21 ARG 11 1HH2 ARG 11 1.742 25.888 18.315 90 HH22 ARG 11 2HH2 ARG 11 2.834 25.510 19.580 91 H GLN 12 H GLN 12 0.117 32.889 14.954 92 HA GLN 12 HA GLN 12 -2.534 31.875 15.107 93 HB2 GLN 12 2HB GLN 12 -1.880 33.797 16.449 94 HB3 GLN 12 1HB GLN 12 -1.516 34.721 14.993 95 HG2 GLN 12 2HG GLN 12 -3.900 34.544 14.351 96 HG3 GLN 12 1HG GLN 12 -4.216 33.739 15.883 97 HE21 GLN 12 1HE2 GLN 12 -2.337 35.413 17.349 98 HE22 GLN 12 2HE2 GLN 12 -3.089 36.947 17.517 99 H ARG 13 H ARG 13 -0.771 33.952 12.889 100 HA ARG 13 HA ARG 13 -2.763 34.457 11.005 101 HB2 ARG 13 2HB ARG 13 -0.549 35.603 11.239 102 HB3 ARG 13 1HB ARG 13 0.213 34.199 10.527 103 HG2 ARG 13 2HG ARG 13 0.009 35.917 8.873 104 HG3 ARG 13 1HG ARG 13 -1.087 34.598 8.458 105 HD2 ARG 13 2HD ARG 13 -2.978 35.845 9.316 106 HD3 ARG 13 1HD ARG 13 -1.910 37.117 9.911 107 HE ARG 13 HE ARG 13 -1.531 36.728 7.158 108 HH11 ARG 13 1HH1 ARG 13 -3.994 38.050 9.357 109 HH12 ARG 13 2HH1 ARG 13 -4.517 39.259 8.305 110 HH21 ARG 13 1HH2 ARG 13 -2.276 38.419 5.665 111 HH22 ARG 13 2HH2 ARG 13 -3.513 39.473 6.160 112 H LEU 14 H LEU 14 -0.546 31.757 11.318 113 HA LEU 14 HA LEU 14 -1.150 30.510 8.846 114 HB2 LEU 14 2HB LEU 14 0.938 30.151 10.197 115 HB3 LEU 14 1HB LEU 14 -0.006 29.271 11.367 116 HG LEU 14 HG LEU 14 1.406 27.863 9.842 117 HD11 LEU 14 1HD1 LEU 14 -0.258 26.143 9.364 118 HD12 LEU 14 2HD1 LEU 14 -1.545 27.306 9.689 119 HD13 LEU 14 3HD1 LEU 14 -0.449 26.822 10.981 120 HD21 LEU 14 3HD2 LEU 14 1.143 29.162 7.809 121 HD22 LEU 14 1HD2 LEU 14 -0.564 28.727 7.732 122 HD23 LEU 14 2HD2 LEU 14 0.672 27.483 7.548 123 H ALA 15 H ALA 15 -2.479 30.200 12.128 124 HA ALA 15 HA ALA 15 -4.080 27.936 11.621 125 HB1 ALA 15 1HB ALA 15 -4.528 30.170 13.615 126 HB2 ALA 15 2HB ALA 15 -3.571 28.717 13.896 127 HB3 ALA 15 3HB ALA 15 -5.312 28.591 13.648 128 H GLU 16 H GLU 16 -4.605 31.362 11.328 129 HA GLU 16 HA GLU 16 -7.269 31.543 10.566 130 HB2 GLU 16 2HB GLU 16 -4.859 33.098 9.648 131 HB3 GLU 16 1HB GLU 16 -6.515 33.578 9.336 132 HG2 GLU 16 2HG GLU 16 -5.309 33.241 12.067 133 HG3 GLU 16 1HG GLU 16 -5.426 34.775 11.214 134 H LEU 17 H LEU 17 -4.387 31.111 8.590 135 HA LEU 17 HA LEU 17 -5.589 31.116 6.043 136 HB2 LEU 17 2HB LEU 17 -3.216 31.493 6.801 137 HB3 LEU 17 1HB LEU 17 -3.036 29.778 6.862 138 HG LEU 17 HG LEU 17 -2.041 30.751 4.796 139 HD11 LEU 17 1HD1 LEU 17 -4.324 28.864 4.291 140 HD12 LEU 17 2HD1 LEU 17 -2.672 28.428 4.725 141 HD13 LEU 17 3HD1 LEU 17 -3.003 29.194 3.169 142 HD21 LEU 17 3HD2 LEU 17 -3.621 32.564 4.445 143 HD22 LEU 17 1HD2 LEU 17 -4.887 31.402 4.058 144 HD23 LEU 17 2HD2 LEU 17 -3.483 31.553 3.005 145 H GLN 18 H GLN 18 -4.467 28.596 8.194 146 HA GLN 18 HA GLN 18 -4.724 26.271 6.753 147 HB2 GLN 18 2HB GLN 18 -3.859 26.661 9.113 148 HB3 GLN 18 1HB GLN 18 -5.533 26.562 9.629 149 HG2 GLN 18 2HG GLN 18 -5.669 24.326 8.642 150 HG3 GLN 18 1HG GLN 18 -3.971 24.418 8.229 151 HE21 GLN 18 1HE2 GLN 18 -3.304 25.899 10.690 152 HE22 GLN 18 2HE2 GLN 18 -3.330 24.738 11.964 153 H ALA 19 H ALA 19 -7.148 27.916 8.668 154 HA ALA 19 HA ALA 19 -9.352 27.578 7.081 155 HB1 ALA 19 1HB ALA 19 -9.055 25.143 7.263 156 HB2 ALA 19 2HB ALA 19 -10.585 25.675 7.961 157 HB3 ALA 19 3HB ALA 19 -9.228 25.260 9.016 158 H LYS 20 H LYS 20 -10.525 29.151 7.895 159 HA LYS 20 HA LYS 20 -10.789 29.487 10.766 160 HB2 LYS 20 2HB LYS 20 -10.745 31.503 9.305 161 HB3 LYS 20 1HB LYS 20 -12.154 30.908 8.450 162 HG2 LYS 20 2HG LYS 20 -12.769 32.689 9.982 163 HG3 LYS 20 1HG LYS 20 -13.506 31.168 10.472 164 HD2 LYS 20 2HD LYS 20 -12.663 32.407 12.407 165 HD3 LYS 20 1HD LYS 20 -11.786 30.892 12.204 166 HE2 LYS 20 2HE LYS 20 -9.929 32.086 11.186 167 HE3 LYS 20 1HE LYS 20 -10.822 33.602 11.278 168 HZ1 LYS 20 3HZ LYS 20 -10.748 33.501 13.659 169 HZ2 LYS 20 1HZ LYS 20 -9.183 33.350 13.058 170 HZ3 LYS 20 2HZ LYS 20 -9.999 31.992 13.643 171 H HIS 21 H HIS 21 -12.688 28.668 7.948 172 HA HIS 21 HA HIS 21 -13.903 26.395 8.764 173 HB2 HIS 21 2HB HIS 21 -15.091 27.778 10.540 174 HB3 HIS 21 1HB HIS 21 -15.898 28.646 9.235 175 HD1 HIS 21 1HD HIS 21 -18.101 27.709 8.580 176 HD2 HIS 21 2HD HIS 21 -15.662 24.840 10.323 177 HE1 HIS 21 1HE HIS 21 -19.488 25.636 8.699 178 HE2 HIS 21 2HE HIS 21 -18.037 23.978 9.953 179 H GLY 22 H GLY 22 -14.033 29.330 6.983 180 HA2 GLY 22 2HA GLY 22 -15.943 28.637 5.030 181 HA3 GLY 22 1HA GLY 22 -14.727 29.890 4.892 182 H ASP 23 H ASP 23 -12.923 27.304 5.469 183 HA ASP 23 HA ASP 23 -12.613 26.686 2.619 184 HB2 ASP 23 2HB ASP 23 -10.592 27.368 3.996 185 HB3 ASP 23 1HB ASP 23 -10.797 25.874 4.901 186 HA PRO 24 HA PRO 24 -14.870 22.931 3.491 187 HB2 PRO 24 2HB PRO 24 -14.310 21.601 1.175 188 HB3 PRO 24 1HB PRO 24 -15.507 22.893 1.300 189 HG2 PRO 24 2HG PRO 24 -12.697 23.013 0.299 190 HG3 PRO 24 1HG PRO 24 -14.154 23.772 -0.362 191 HD2 PRO 24 2HD PRO 24 -12.366 25.148 1.121 192 HD3 PRO 24 1HD PRO 24 -14.104 25.504 1.166 193 H GLY 25 H GLY 25 -11.453 23.022 2.918 194 HA2 GLY 25 2HA GLY 25 -9.773 21.643 3.644 195 HA3 GLY 25 1HA GLY 25 -10.987 20.697 4.496 196 H ASP 26 H ASP 26 -11.379 21.286 1.146 197 HA ASP 26 HA ASP 26 -11.440 18.462 0.666 198 HB2 ASP 26 2HB ASP 26 -12.954 20.076 -0.491 199 HB3 ASP 26 1HB ASP 26 -11.557 20.629 -1.431 200 H ALA 27 H ALA 27 -9.346 21.134 -0.077 201 HA ALA 27 HA ALA 27 -7.501 19.689 -1.666 202 HB1 ALA 27 1HB ALA 27 -7.586 22.141 -1.669 203 HB2 ALA 27 2HB ALA 27 -5.969 21.568 -1.259 204 HB3 ALA 27 3HB ALA 27 -7.045 22.162 0.008 205 H ALA 28 H ALA 28 -7.953 20.079 1.757 206 HA ALA 28 HA ALA 28 -5.485 19.004 2.587 207 HB1 ALA 28 1HB ALA 28 -8.118 19.061 4.070 208 HB2 ALA 28 2HB ALA 28 -6.879 20.317 4.117 209 HB3 ALA 28 3HB ALA 28 -6.543 18.719 4.782 210 H GLN 29 H GLN 29 -8.681 17.545 1.985 211 HA GLN 29 HA GLN 29 -7.701 14.999 2.704 212 HB2 GLN 29 2HB GLN 29 -9.791 14.022 1.769 213 HB3 GLN 29 1HB GLN 29 -10.074 15.322 2.911 214 HG2 GLN 29 2HG GLN 29 -10.573 16.819 1.122 215 HG3 GLN 29 1HG GLN 29 -10.220 15.572 -0.071 216 HE21 GLN 29 1HE2 GLN 29 -12.354 15.725 -0.880 217 HE22 GLN 29 2HE2 GLN 29 -13.671 15.022 -0.027 218 H GLN 30 H GLN 30 -7.975 16.666 -0.368 219 HA GLN 30 HA GLN 30 -7.226 14.567 -2.068 220 HB2 GLN 30 2HB GLN 30 -6.483 17.490 -2.252 221 HB3 GLN 30 1HB GLN 30 -6.233 16.323 -3.534 222 HG2 GLN 30 2HG GLN 30 -8.646 16.007 -3.720 223 HG3 GLN 30 1HG GLN 30 -8.896 17.158 -2.403 224 HE21 GLN 30 1HE2 GLN 30 -10.048 18.584 -3.673 225 HE22 GLN 30 2HE2 GLN 30 -9.349 19.530 -4.910 226 H GLU 31 H GLU 31 -5.231 16.859 -0.271 227 HA GLU 31 HA GLU 31 -2.702 15.967 -1.117 228 HB2 GLU 31 2HB GLU 31 -3.223 18.107 0.083 229 HB3 GLU 31 1HB GLU 31 -3.429 17.173 1.556 230 HG2 GLU 31 2HG GLU 31 -1.079 16.412 1.323 231 HG3 GLU 31 1HG GLU 31 -0.906 17.509 -0.047 232 H ALA 32 H ALA 32 -4.539 15.178 1.833 233 HA ALA 32 HA ALA 32 -2.708 13.326 2.861 234 HB1 ALA 32 1HB ALA 32 -5.697 13.409 3.286 235 HB2 ALA 32 2HB ALA 32 -4.504 14.334 4.195 236 HB3 ALA 32 3HB ALA 32 -4.525 12.575 4.306 237 H LYS 33 H LYS 33 -5.459 12.909 0.681 238 HA LYS 33 HA LYS 33 -5.304 10.101 0.640 239 HB2 LYS 33 2HB LYS 33 -7.334 11.404 -0.028 240 HB3 LYS 33 1HB LYS 33 -6.486 11.910 -1.484 241 HG2 LYS 33 2HG LYS 33 -7.987 10.107 -1.986 242 HG3 LYS 33 1HG LYS 33 -6.317 9.541 -2.171 243 HD2 LYS 33 2HD LYS 33 -6.493 8.631 0.182 244 HD3 LYS 33 1HD LYS 33 -8.209 9.016 0.118 245 HE2 LYS 33 2HE LYS 33 -8.483 7.523 -1.765 246 HE3 LYS 33 1HE LYS 33 -6.753 7.169 -1.760 247 HZ1 LYS 33 3HZ LYS 33 -8.762 6.433 0.290 248 HZ2 LYS 33 1HZ LYS 33 -7.101 6.437 0.606 249 HZ3 LYS 33 2HZ LYS 33 -7.742 5.415 -0.588 250 H HIS 34 H HIS 34 -3.782 12.633 -1.281 251 HA HIS 34 HA HIS 34 -2.627 10.941 -3.212 252 HB2 HIS 34 2HB HIS 34 -2.591 13.373 -3.555 253 HB3 HIS 34 1HB HIS 34 -1.585 13.591 -2.127 254 HD1 HIS 34 1HD HIS 34 -1.430 12.246 -5.635 255 HD2 HIS 34 2HD HIS 34 1.136 13.201 -2.536 256 HE1 HIS 34 1HE HIS 34 0.872 12.018 -6.585 257 HE2 HIS 34 2HE HIS 34 2.253 12.013 -4.504 258 H ARG 35 H ARG 35 -1.612 11.890 0.002 259 HA ARG 35 HA ARG 35 0.894 10.606 -0.076 260 HB2 ARG 35 2HB ARG 35 -0.861 11.107 2.333 261 HB3 ARG 35 1HB ARG 35 0.843 10.682 2.380 262 HG2 ARG 35 2HG ARG 35 1.363 12.787 1.201 263 HG3 ARG 35 1HG ARG 35 -0.348 13.213 1.274 264 HD2 ARG 35 2HD ARG 35 -0.228 12.993 3.749 265 HD3 ARG 35 1HD ARG 35 1.510 12.748 3.590 266 HE ARG 35 HE ARG 35 0.506 15.139 2.362 267 HH11 ARG 35 1HH1 ARG 35 2.164 13.745 5.153 268 HH12 ARG 35 2HH1 ARG 35 2.330 15.212 5.990 269 HH21 ARG 35 1HH2 ARG 35 0.764 17.199 3.500 270 HH22 ARG 35 2HH2 ARG 35 1.568 17.236 4.991 271 H GLU 36 H GLU 36 -2.343 9.551 0.867 272 HA GLU 36 HA GLU 36 -1.630 6.954 1.640 273 HB2 GLU 36 2HB GLU 36 -4.210 7.829 0.366 274 HB3 GLU 36 1HB GLU 36 -3.923 6.258 1.072 275 HG2 GLU 36 2HG GLU 36 -3.408 7.647 3.214 276 HG3 GLU 36 1HG GLU 36 -4.342 8.887 2.377 277 H ALA 37 H ALA 37 -2.603 8.254 -1.506 278 HA ALA 37 HA ALA 37 -2.925 5.953 -2.944 279 HB1 ALA 37 1HB ALA 37 -1.667 8.496 -3.962 280 HB2 ALA 37 2HB ALA 37 -3.401 8.197 -3.816 281 HB3 ALA 37 3HB ALA 37 -2.431 7.246 -4.944 282 H GLU 38 H GLU 38 0.118 7.744 -2.651 283 HA GLU 38 HA GLU 38 1.628 5.848 -4.070 284 HB2 GLU 38 2HB GLU 38 2.445 7.965 -2.104 285 HB3 GLU 38 1HB GLU 38 3.607 6.981 -2.983 286 HG2 GLU 38 2HG GLU 38 2.710 7.849 -5.101 287 HG3 GLU 38 1HG GLU 38 1.571 8.845 -4.196 288 H MET 39 H MET 39 0.861 6.103 -0.669 289 HA MET 39 HA MET 39 2.723 4.083 0.160 290 HB2 MET 39 2HB MET 39 0.381 5.329 1.589 291 HB3 MET 39 1HB MET 39 1.433 4.130 2.327 292 HG2 MET 39 2HG MET 39 3.332 5.616 2.105 293 HG3 MET 39 1HG MET 39 2.337 6.793 1.254 294 HE1 MET 39 3HE MET 39 1.675 5.692 5.701 295 HE2 MET 39 1HE MET 39 2.865 4.899 4.672 296 HE3 MET 39 2HE MET 39 1.140 4.662 4.377 297 H ARG 40 H ARG 40 -0.700 4.170 -0.516 298 HA ARG 40 HA ARG 40 -1.419 1.537 0.208 299 HB2 ARG 40 2HB ARG 40 -2.594 3.322 -1.946 300 HB3 ARG 40 1HB ARG 40 -3.331 1.854 -1.348 301 HG2 ARG 40 2HG ARG 40 -2.818 4.279 0.357 302 HG3 ARG 40 1HG ARG 40 -4.316 4.008 -0.523 303 HD2 ARG 40 2HD ARG 40 -4.637 1.923 0.747 304 HD3 ARG 40 1HD ARG 40 -3.162 2.266 1.659 305 HE ARG 40 HE ARG 40 -4.365 4.415 2.284 306 HH11 ARG 40 1HH1 ARG 40 -6.135 1.369 1.767 307 HH12 ARG 40 2HH1 ARG 40 -7.444 1.847 2.759 308 HH21 ARG 40 1HH2 ARG 40 -6.165 5.016 3.611 309 HH22 ARG 40 2HH2 ARG 40 -7.435 3.921 3.870 310 H ASN 41 H ASN 41 -0.356 3.047 -2.800 311 HA ASN 41 HA ASN 41 -0.742 0.926 -4.524 312 HB2 ASN 41 2HB ASN 41 -0.369 3.163 -5.364 313 HB3 ASN 41 1HB ASN 41 1.259 3.178 -4.703 314 HD21 ASN 41 1HD2 ASN 41 2.897 2.162 -5.832 315 HD22 ASN 41 2HD2 ASN 41 2.694 1.517 -7.406 316 H SER 42 H SER 42 2.051 1.556 -2.426 317 HA SER 42 HA SER 42 3.844 -0.165 -3.606 318 HB2 SER 42 2HB SER 42 3.457 0.377 -0.660 319 HB3 SER 42 1HB SER 42 4.939 -0.193 -1.434 320 HG SER 42 HG SER 42 4.469 2.232 -0.987 321 H ILE 43 H ILE 43 1.481 -0.959 -1.011 322 HA ILE 43 HA ILE 43 2.033 -3.738 -1.441 323 HB ILE 43 HB ILE 43 0.164 -4.281 0.105 324 HG12 ILE 43 2HG1 ILE 43 -0.970 -1.960 -0.251 325 HG13 ILE 43 1HG1 ILE 43 -1.074 -2.705 1.313 326 HG21 ILE 43 1HG2 ILE 43 2.404 -4.302 0.884 327 HG22 ILE 43 2HG2 ILE 43 1.362 -3.649 2.147 328 HG23 ILE 43 3HG2 ILE 43 2.367 -2.567 1.185 329 HD11 ILE 43 3HD1 ILE 43 0.817 -0.476 0.484 330 HD12 ILE 43 1HD1 ILE 43 0.776 -1.225 2.080 331 HD13 ILE 43 2HD1 ILE 43 -0.613 -0.314 1.493 332 H LEU 44 H LEU 44 -0.594 -1.559 -2.293 333 HA LEU 44 HA LEU 44 -2.384 -3.504 -3.012 334 HB2 LEU 44 2HB LEU 44 -2.184 -0.685 -4.041 335 HB3 LEU 44 1HB LEU 44 -3.490 -1.755 -4.477 336 HG LEU 44 HG LEU 44 -2.875 -0.694 -1.714 337 HD11 LEU 44 1HD1 LEU 44 -5.004 0.475 -1.982 338 HD12 LEU 44 2HD1 LEU 44 -5.159 -0.180 -3.610 339 HD13 LEU 44 3HD1 LEU 44 -3.851 0.941 -3.234 340 HD21 LEU 44 3HD2 LEU 44 -5.089 -2.544 -2.628 341 HD22 LEU 44 1HD2 LEU 44 -5.005 -1.760 -1.051 342 HD23 LEU 44 2HD2 LEU 44 -3.784 -2.941 -1.507 343 H ALA 45 H ALA 45 0.126 -1.928 -5.007 344 HA ALA 45 HA ALA 45 -0.837 -3.009 -7.451 345 HB1 ALA 45 1HB ALA 45 0.508 -0.954 -7.376 346 HB2 ALA 45 2HB ALA 45 1.226 -2.170 -8.432 347 HB3 ALA 45 3HB ALA 45 1.894 -1.892 -6.825 348 H GLN 46 H GLN 46 0.996 -4.291 -4.909 349 HA GLN 46 HA GLN 46 2.290 -6.265 -6.572 350 HB2 GLN 46 2HB GLN 46 2.218 -5.924 -3.586 351 HB3 GLN 46 1HB GLN 46 3.095 -7.203 -4.414 352 HG2 GLN 46 2HG GLN 46 4.370 -5.433 -5.626 353 HG3 GLN 46 1HG GLN 46 3.553 -4.252 -4.616 354 HE21 GLN 46 1HE2 GLN 46 4.145 -3.986 -2.560 355 HE22 GLN 46 2HE2 GLN 46 5.505 -4.758 -1.821 356 H VAL 47 H VAL 47 -0.567 -5.982 -4.686 357 HA VAL 47 HA VAL 47 -1.053 -8.862 -4.969 358 HB VAL 47 HB VAL 47 -2.946 -8.602 -3.438 359 HG11 VAL 47 1HG1 VAL 47 -0.479 -7.257 -2.361 360 HG12 VAL 47 2HG1 VAL 47 -0.749 -8.990 -2.481 361 HG13 VAL 47 3HG1 VAL 47 -1.743 -8.021 -1.394 362 HG21 VAL 47 3HG2 VAL 47 -3.692 -6.343 -4.022 363 HG22 VAL 47 1HG2 VAL 47 -2.221 -5.669 -3.317 364 HG23 VAL 47 2HG2 VAL 47 -3.410 -6.470 -2.285 365 H LEU 48 H LEU 48 -2.440 -5.776 -5.949 366 HA LEU 48 HA LEU 48 -4.479 -7.053 -7.528 367 HB2 LEU 48 2HB LEU 48 -3.405 -4.244 -7.501 368 HB3 LEU 48 1HB LEU 48 -4.776 -4.783 -8.452 369 HG LEU 48 HG LEU 48 -4.670 -4.804 -5.416 370 HD11 LEU 48 1HD1 LEU 48 -5.954 -2.812 -7.281 371 HD12 LEU 48 2HD1 LEU 48 -4.523 -2.520 -6.290 372 HD13 LEU 48 3HD1 LEU 48 -6.081 -2.824 -5.522 373 HD21 LEU 48 3HD2 LEU 48 -6.235 -6.377 -6.444 374 HD22 LEU 48 1HD2 LEU 48 -6.920 -5.043 -7.367 375 HD23 LEU 48 2HD2 LEU 48 -7.079 -5.066 -5.603 376 H ASP 49 H ASP 49 -4.110 -7.873 -9.458 377 HA ASP 49 HA ASP 49 -1.583 -7.421 -10.726 378 HB2 ASP 49 2HB ASP 49 -3.032 -9.592 -10.832 379 HB3 ASP 49 1HB ASP 49 -3.921 -8.748 -12.092 380 H GLN 50 H GLN 50 -2.015 -7.059 -13.363 381 HA GLN 50 HA GLN 50 -1.873 -4.327 -13.563 382 HB2 GLN 50 2HB GLN 50 -0.959 -5.842 -15.200 383 HB3 GLN 50 1HB GLN 50 -2.571 -6.302 -15.715 384 HG2 GLN 50 2HG GLN 50 -1.557 -4.768 -17.297 385 HG3 GLN 50 1HG GLN 50 -2.961 -4.035 -16.527 386 HE21 GLN 50 1HE2 GLN 50 -2.662 -2.286 -15.131 387 HE22 GLN 50 2HE2 GLN 50 -1.161 -1.435 -15.086 388 H SER 51 H SER 51 -4.717 -6.262 -14.383 389 HA SER 51 HA SER 51 -6.100 -3.913 -15.308 390 HB2 SER 51 2HB SER 51 -7.055 -6.764 -15.055 391 HB3 SER 51 1HB SER 51 -7.906 -5.465 -15.883 392 HG SER 51 HG SER 51 -6.708 -6.766 -17.301 393 H ALA 52 H ALA 52 -5.779 -5.662 -12.423 394 HA ALA 52 HA ALA 52 -8.312 -5.129 -11.314 395 HB1 ALA 52 1HB ALA 52 -7.341 -5.840 -9.209 396 HB2 ALA 52 2HB ALA 52 -5.726 -5.785 -9.932 397 HB3 ALA 52 3HB ALA 52 -6.917 -6.940 -10.516 398 H ARG 53 H ARG 53 -5.249 -3.351 -11.287 399 HA ARG 53 HA ARG 53 -6.292 -1.435 -9.424 400 HB2 ARG 53 2HB ARG 53 -3.925 -1.090 -11.277 401 HB3 ARG 53 1HB ARG 53 -4.426 0.109 -10.097 402 HG2 ARG 53 2HG ARG 53 -2.796 -0.922 -8.901 403 HG3 ARG 53 1HG ARG 53 -4.147 -1.970 -8.460 404 HD2 ARG 53 2HD ARG 53 -2.341 -3.386 -9.054 405 HD3 ARG 53 1HD ARG 53 -3.505 -3.429 -10.356 406 HE ARG 53 HE ARG 53 -1.929 -1.425 -11.145 407 HH11 ARG 53 1HH1 ARG 53 -1.060 -4.717 -10.127 408 HH12 ARG 53 2HH1 ARG 53 0.244 -4.836 -11.214 409 HH21 ARG 53 1HH2 ARG 53 -0.119 -1.588 -12.599 410 HH22 ARG 53 2HH2 ARG 53 0.801 -3.012 -12.639 411 H ALA 54 H ALA 54 -6.368 -1.740 -12.861 412 HA ALA 54 HA ALA 54 -7.374 0.864 -13.391 413 HB1 ALA 54 1HB ALA 54 -6.421 -0.546 -15.171 414 HB2 ALA 54 2HB ALA 54 -8.078 -0.082 -15.558 415 HB3 ALA 54 3HB ALA 54 -7.734 -1.701 -14.950 416 H ARG 55 H ARG 55 -8.859 -2.305 -12.860 417 HA ARG 55 HA ARG 55 -11.560 -1.740 -12.902 418 HB2 ARG 55 2HB ARG 55 -10.372 -3.927 -12.650 419 HB3 ARG 55 1HB ARG 55 -10.065 -3.513 -10.981 420 HG2 ARG 55 2HG ARG 55 -11.914 -4.940 -10.901 421 HG3 ARG 55 1HG ARG 55 -12.578 -3.302 -10.763 422 HD2 ARG 55 2HD ARG 55 -12.365 -4.711 -13.398 423 HD3 ARG 55 1HD ARG 55 -13.744 -4.933 -12.337 424 HE ARG 55 HE ARG 55 -13.947 -2.413 -12.505 425 HH11 ARG 55 1HH1 ARG 55 -12.524 -4.307 -15.165 426 HH12 ARG 55 2HH1 ARG 55 -13.252 -3.383 -16.382 427 HH21 ARG 55 1HH2 ARG 55 -14.968 -1.199 -14.179 428 HH22 ARG 55 2HH2 ARG 55 -14.665 -1.573 -15.826 429 H LEU 56 H LEU 56 -9.260 -1.523 -10.241 430 HA LEU 56 HA LEU 56 -10.994 -0.623 -8.228 431 HB2 LEU 56 2HB LEU 56 -8.761 -1.534 -7.805 432 HB3 LEU 56 1HB LEU 56 -8.033 -0.130 -8.554 433 HG LEU 56 HG LEU 56 -9.065 1.268 -6.741 434 HD11 LEU 56 1HD1 LEU 56 -9.793 0.148 -4.705 435 HD12 LEU 56 2HD1 LEU 56 -9.661 -1.412 -5.513 436 HD13 LEU 56 3HD1 LEU 56 -10.842 -0.225 -6.071 437 HD21 LEU 56 3HD2 LEU 56 -7.151 -0.902 -5.879 438 HD22 LEU 56 1HD2 LEU 56 -7.410 0.631 -5.044 439 HD23 LEU 56 2HD2 LEU 56 -6.718 0.614 -6.668 440 H SER 57 H SER 57 -8.879 1.213 -10.426 441 HA SER 57 HA SER 57 -9.481 3.764 -9.416 442 HB2 SER 57 2HB SER 57 -7.513 3.230 -10.863 443 HB3 SER 57 1HB SER 57 -8.604 3.008 -12.227 444 HG SER 57 HG SER 57 -8.376 5.404 -10.726 445 H ASN 58 H ASN 58 -10.925 1.823 -11.963 446 HA ASN 58 HA ASN 58 -12.789 3.696 -12.945 447 HB2 ASN 58 2HB ASN 58 -12.081 1.535 -14.032 448 HB3 ASN 58 1HB ASN 58 -13.031 0.673 -12.838 449 HD21 ASN 58 1HD2 ASN 58 -13.189 0.698 -15.698 450 HD22 ASN 58 2HD2 ASN 58 -14.777 1.196 -16.147 451 H LEU 59 H LEU 59 -12.971 1.208 -10.442 452 HA LEU 59 HA LEU 59 -15.663 1.526 -9.706 453 HB2 LEU 59 2HB LEU 59 -13.787 -0.278 -9.052 454 HB3 LEU 59 1HB LEU 59 -13.548 0.801 -7.724 455 HG LEU 59 HG LEU 59 -14.965 -1.137 -7.142 456 HD11 LEU 59 1HD1 LEU 59 -15.179 0.838 -5.790 457 HD12 LEU 59 2HD1 LEU 59 -16.755 0.067 -6.005 458 HD13 LEU 59 3HD1 LEU 59 -16.347 1.516 -6.924 459 HD21 LEU 59 3HD2 LEU 59 -16.122 -1.435 -9.255 460 HD22 LEU 59 1HD2 LEU 59 -16.968 0.096 -9.029 461 HD23 LEU 59 2HD2 LEU 59 -17.271 -1.244 -7.934 462 H ALA 60 H ALA 60 -12.693 3.025 -8.611 463 HA ALA 60 HA ALA 60 -13.611 4.510 -6.421 464 HB1 ALA 60 1HB ALA 60 -11.404 5.244 -8.320 465 HB2 ALA 60 2HB ALA 60 -11.236 4.122 -6.969 466 HB3 ALA 60 3HB ALA 60 -11.594 5.829 -6.665 467 H LEU 61 H LEU 61 -13.653 5.206 -9.824 468 HA LEU 61 HA LEU 61 -14.393 7.943 -9.558 469 HB2 LEU 61 2HB LEU 61 -14.612 6.029 -11.861 470 HB3 LEU 61 1HB LEU 61 -14.942 7.751 -11.983 471 HG LEU 61 HG LEU 61 -12.275 6.481 -11.330 472 HD11 LEU 61 1HD1 LEU 61 -12.921 6.147 -13.649 473 HD12 LEU 61 2HD1 LEU 61 -11.594 7.299 -13.525 474 HD13 LEU 61 3HD1 LEU 61 -13.233 7.875 -13.825 475 HD21 LEU 61 3HD2 LEU 61 -12.488 8.641 -10.229 476 HD22 LEU 61 1HD2 LEU 61 -13.021 9.381 -11.742 477 HD23 LEU 61 2HD2 LEU 61 -11.381 8.761 -11.597 478 H VAL 62 H VAL 62 -16.149 4.951 -10.170 479 HA VAL 62 HA VAL 62 -18.608 6.362 -10.357 480 HB VAL 62 HB VAL 62 -19.734 4.096 -10.494 481 HG11 VAL 62 1HG1 VAL 62 -17.488 4.670 -12.422 482 HG12 VAL 62 2HG1 VAL 62 -19.114 5.355 -12.478 483 HG13 VAL 62 3HG1 VAL 62 -18.875 3.629 -12.744 484 HG21 VAL 62 3HG2 VAL 62 -18.036 2.777 -9.274 485 HG22 VAL 62 1HG2 VAL 62 -16.884 3.102 -10.567 486 HG23 VAL 62 2HG2 VAL 62 -18.323 2.133 -10.891 487 H LYS 63 H LYS 63 -17.525 4.003 -7.839 488 HA LYS 63 HA LYS 63 -19.137 5.601 -6.005 489 HB2 LYS 63 2HB LYS 63 -19.216 2.580 -5.800 490 HB3 LYS 63 1HB LYS 63 -20.045 3.728 -4.804 491 HG2 LYS 63 2HG LYS 63 -21.768 2.922 -6.136 492 HG3 LYS 63 1HG LYS 63 -21.310 4.411 -6.941 493 HD2 LYS 63 2HD LYS 63 -21.640 2.635 -8.559 494 HD3 LYS 63 1HD LYS 63 -19.954 3.152 -8.533 495 HE2 LYS 63 2HE LYS 63 -20.020 0.738 -8.655 496 HE3 LYS 63 1HE LYS 63 -19.434 1.227 -7.065 497 HZ1 LYS 63 3HZ LYS 63 -21.067 -0.611 -6.992 498 HZ2 LYS 63 1HZ LYS 63 -22.244 0.413 -7.621 499 HZ3 LYS 63 2HZ LYS 63 -21.593 0.737 -6.119 500 HA PRO 64 HA PRO 64 -14.931 5.101 -4.359 501 HB2 PRO 64 2HB PRO 64 -15.778 7.413 -2.761 502 HB3 PRO 64 1HB PRO 64 -14.373 7.240 -3.815 503 HG2 PRO 64 2HG PRO 64 -16.480 8.777 -4.480 504 HG3 PRO 64 1HG PRO 64 -15.534 7.893 -5.690 505 HD2 PRO 64 2HD PRO 64 -18.205 7.260 -4.533 506 HD3 PRO 64 1HD PRO 64 -17.604 7.046 -6.193 507 H GLU 65 H GLU 65 -18.005 5.034 -2.935 508 HA GLU 65 HA GLU 65 -17.255 4.785 -0.199 509 HB2 GLU 65 2HB GLU 65 -19.769 3.783 -1.551 510 HB3 GLU 65 1HB GLU 65 -19.508 3.819 0.179 511 HG2 GLU 65 2HG GLU 65 -20.855 5.667 -0.292 512 HG3 GLU 65 1HG GLU 65 -19.229 6.313 -0.062 513 H LYS 66 H LYS 66 -17.751 2.537 -2.810 514 HA LYS 66 HA LYS 66 -17.322 0.295 -1.063 515 HB2 LYS 66 2HB LYS 66 -17.325 0.239 -4.078 516 HB3 LYS 66 1HB LYS 66 -17.546 -1.125 -2.992 517 HG2 LYS 66 2HG LYS 66 -19.460 1.124 -3.554 518 HG3 LYS 66 1HG LYS 66 -19.673 -0.585 -3.898 519 HD2 LYS 66 2HD LYS 66 -19.573 0.696 -1.155 520 HD3 LYS 66 1HD LYS 66 -21.018 0.127 -1.973 521 HE2 LYS 66 2HE LYS 66 -20.162 -2.166 -1.894 522 HE3 LYS 66 1HE LYS 66 -18.702 -1.598 -1.090 523 HZ1 LYS 66 3HZ LYS 66 -20.293 -2.471 0.526 524 HZ2 LYS 66 1HZ LYS 66 -21.461 -1.385 -0.005 525 HZ3 LYS 66 2HZ LYS 66 -20.097 -0.811 0.761 526 H THR 67 H THR 67 -15.451 2.314 -3.214 527 HA THR 67 HA THR 67 -13.156 0.776 -3.446 528 HB THR 67 HB THR 67 -13.071 3.750 -3.134 529 HG1 THR 67 1HG THR 67 -13.861 2.568 -5.582 530 HG21 THR 67 3HG2 THR 67 -11.508 3.558 -4.991 531 HG22 THR 67 1HG2 THR 67 -11.883 1.840 -5.155 532 HG23 THR 67 2HG2 THR 67 -11.044 2.430 -3.716 533 H LYS 68 H LYS 68 -14.249 3.101 -1.025 534 HA LYS 68 HA LYS 68 -12.109 3.360 0.689 535 HB2 LYS 68 2HB LYS 68 -14.193 4.623 0.877 536 HB3 LYS 68 1HB LYS 68 -15.069 3.164 1.272 537 HG2 LYS 68 2HG LYS 68 -14.793 4.385 3.280 538 HG3 LYS 68 1HG LYS 68 -13.705 3.005 3.366 539 HD2 LYS 68 2HD LYS 68 -12.589 4.983 4.204 540 HD3 LYS 68 1HD LYS 68 -11.844 4.480 2.688 541 HE2 LYS 68 2HE LYS 68 -12.961 6.200 1.485 542 HE3 LYS 68 1HE LYS 68 -13.970 6.618 2.863 543 HZ1 LYS 68 3HZ LYS 68 -11.008 6.958 2.734 544 HZ2 LYS 68 1HZ LYS 68 -12.004 7.354 4.030 545 HZ3 LYS 68 2HZ LYS 68 -12.144 8.204 2.597 546 H ALA 69 H ALA 69 -14.637 0.922 0.623 547 HA ALA 69 HA ALA 69 -13.726 -0.542 2.869 548 HB1 ALA 69 1HB ALA 69 -15.393 -2.194 2.238 549 HB2 ALA 69 2HB ALA 69 -15.597 -1.411 0.672 550 HB3 ALA 69 3HB ALA 69 -16.068 -0.566 2.145 551 H VAL 70 H VAL 70 -13.515 -1.187 -0.668 552 HA VAL 70 HA VAL 70 -12.077 -3.558 -0.240 553 HB VAL 70 HB VAL 70 -11.460 -3.574 -2.645 554 HG11 VAL 70 1HG1 VAL 70 -13.619 -4.461 -1.929 555 HG12 VAL 70 2HG1 VAL 70 -13.706 -3.758 -3.541 556 HG13 VAL 70 3HG1 VAL 70 -14.343 -2.869 -2.161 557 HG21 VAL 70 3HG2 VAL 70 -11.154 -1.171 -2.988 558 HG22 VAL 70 1HG2 VAL 70 -12.881 -0.944 -2.713 559 HG23 VAL 70 2HG2 VAL 70 -12.329 -1.834 -4.136 560 H GLU 71 H GLU 71 -10.861 -0.258 -0.766 561 HA GLU 71 HA GLU 71 -8.134 -0.830 -0.991 562 HB2 GLU 71 2HB GLU 71 -9.536 1.446 0.436 563 HB3 GLU 71 1HB GLU 71 -7.789 1.360 0.311 564 HG2 GLU 71 2HG GLU 71 -8.005 1.544 -2.126 565 HG3 GLU 71 1HG GLU 71 -9.763 1.616 -1.947 566 H ASN 72 H ASN 72 -10.049 -0.245 1.913 567 HA ASN 72 HA ASN 72 -8.172 -0.662 3.879 568 HB2 ASN 72 2HB ASN 72 -10.439 0.293 4.185 569 HB3 ASN 72 1HB ASN 72 -11.121 -1.303 3.916 570 HD21 ASN 72 1HD2 ASN 72 -9.447 0.761 6.089 571 HD22 ASN 72 2HD2 ASN 72 -9.560 -0.269 7.449 572 H TYR 73 H TYR 73 -10.436 -2.932 2.361 573 HA TYR 73 HA TYR 73 -9.741 -5.113 3.977 574 HB2 TYR 73 2HB TYR 73 -11.871 -4.833 2.621 575 HB3 TYR 73 1HB TYR 73 -10.931 -5.312 1.212 576 HD1 TYR 73 1HD TYR 73 -12.076 -6.437 4.539 577 HD2 TYR 73 2HD TYR 73 -10.503 -7.615 0.765 578 HE1 TYR 73 1HE TYR 73 -12.476 -8.788 5.116 579 HE2 TYR 73 2HE TYR 73 -10.880 -9.958 1.330 580 HH TYR 73 HH TYR 73 -12.837 -10.891 3.995 581 H LEU 74 H LEU 74 -8.605 -4.140 0.746 582 HA LEU 74 HA LEU 74 -6.903 -6.367 0.412 583 HB2 LEU 74 2HB LEU 74 -6.974 -3.669 -0.892 584 HB3 LEU 74 1HB LEU 74 -5.570 -4.703 -1.063 585 HG LEU 74 HG LEU 74 -7.019 -4.878 -3.008 586 HD11 LEU 74 1HD1 LEU 74 -7.229 -7.268 -3.120 587 HD12 LEU 74 2HD1 LEU 74 -7.001 -7.380 -1.376 588 HD13 LEU 74 3HD1 LEU 74 -5.697 -6.762 -2.405 589 HD21 LEU 74 3HD2 LEU 74 -9.222 -5.935 -2.882 590 HD22 LEU 74 1HD2 LEU 74 -9.190 -4.416 -1.984 591 HD23 LEU 74 2HD2 LEU 74 -9.116 -5.949 -1.119 592 H ILE 75 H ILE 75 -6.348 -3.196 1.841 593 HA ILE 75 HA ILE 75 -3.583 -3.479 2.318 594 HB ILE 75 HB ILE 75 -5.657 -1.959 3.937 595 HG12 ILE 75 2HG1 ILE 75 -5.467 -1.147 1.635 596 HG13 ILE 75 1HG1 ILE 75 -4.839 0.049 2.763 597 HG21 ILE 75 1HG2 ILE 75 -2.659 -1.718 4.080 598 HG22 ILE 75 2HG2 ILE 75 -3.722 -2.361 5.330 599 HG23 ILE 75 3HG2 ILE 75 -3.814 -0.656 4.888 600 HD11 ILE 75 3HD1 ILE 75 -3.250 -1.817 1.030 601 HD12 ILE 75 1HD1 ILE 75 -2.577 -0.678 2.197 602 HD13 ILE 75 2HD1 ILE 75 -3.477 -0.084 0.804 603 H GLN 76 H GLN 76 -6.384 -4.295 4.263 604 HA GLN 76 HA GLN 76 -5.049 -5.318 6.498 605 HB2 GLN 76 2HB GLN 76 -7.473 -4.703 6.349 606 HB3 GLN 76 1HB GLN 76 -7.738 -6.151 5.396 607 HG2 GLN 76 2HG GLN 76 -8.406 -6.593 7.629 608 HG3 GLN 76 1HG GLN 76 -6.923 -7.493 7.314 609 HE21 GLN 76 1HE2 GLN 76 -8.099 -6.657 9.816 610 HE22 GLN 76 2HE2 GLN 76 -6.903 -5.703 10.624 611 H MET 77 H MET 77 -6.329 -6.873 3.599 612 HA MET 77 HA MET 77 -5.700 -9.509 4.164 613 HB2 MET 77 2HB MET 77 -7.146 -8.905 2.366 614 HB3 MET 77 1HB MET 77 -5.837 -8.070 1.530 615 HG2 MET 77 2HG MET 77 -4.684 -10.200 1.215 616 HG3 MET 77 1HG MET 77 -5.989 -11.023 2.064 617 HE1 MET 77 3HE MET 77 -8.356 -11.438 1.119 618 HE2 MET 77 1HE MET 77 -8.965 -10.756 -0.391 619 HE3 MET 77 2HE MET 77 -8.610 -9.697 0.971 620 H ALA 78 H ALA 78 -3.834 -7.015 2.430 621 HA ALA 78 HA ALA 78 -1.577 -8.537 1.793 622 HB1 ALA 78 1HB ALA 78 -1.725 -5.561 2.261 623 HB2 ALA 78 2HB ALA 78 -2.105 -6.378 0.744 624 HB3 ALA 78 3HB ALA 78 -0.459 -6.414 1.377 625 H ARG 79 H ARG 79 -2.339 -6.674 4.691 626 HA ARG 79 HA ARG 79 0.237 -6.929 5.832 627 HB2 ARG 79 2HB ARG 79 -2.352 -5.949 6.787 628 HB3 ARG 79 1HB ARG 79 -1.355 -6.639 8.053 629 HG2 ARG 79 2HG ARG 79 -0.939 -4.285 7.955 630 HG3 ARG 79 1HG ARG 79 0.486 -5.109 7.337 631 HD2 ARG 79 2HD ARG 79 -0.376 -4.693 5.033 632 HD3 ARG 79 1HD ARG 79 -1.660 -3.717 5.748 633 HE ARG 79 HE ARG 79 1.158 -3.089 5.537 634 HH11 ARG 79 1HH1 ARG 79 -1.961 -2.125 6.989 635 HH12 ARG 79 2HH1 ARG 79 -1.545 -0.497 7.173 636 HH21 ARG 79 1HH2 ARG 79 1.740 -0.814 5.847 637 HH22 ARG 79 2HH2 ARG 79 0.624 0.258 6.549 638 H TYR 80 H TYR 80 -2.483 -9.056 5.813 639 HA TYR 80 HA TYR 80 -1.200 -10.728 7.791 640 HB2 TYR 80 2HB TYR 80 -3.806 -11.035 6.314 641 HB3 TYR 80 1HB TYR 80 -3.136 -12.335 7.296 642 HD1 TYR 80 1HD TYR 80 -3.024 -12.144 9.709 643 HD2 TYR 80 2HD TYR 80 -4.654 -9.001 7.358 644 HE1 TYR 80 1HE TYR 80 -3.965 -11.122 11.742 645 HE2 TYR 80 2HE TYR 80 -5.590 -7.968 9.373 646 HH TYR 80 HH TYR 80 -4.702 -8.978 12.524 647 H GLY 81 H GLY 81 -1.193 -10.387 4.425 648 HA2 GLY 81 2HA GLY 81 0.087 -11.453 2.844 649 HA3 GLY 81 1HA GLY 81 0.829 -12.378 4.145 650 H GLN 82 H GLN 82 -2.541 -12.325 3.811 651 HA GLN 82 HA GLN 82 -2.644 -15.202 3.471 652 HB2 GLN 82 2HB GLN 82 -5.093 -14.902 3.818 653 HB3 GLN 82 1HB GLN 82 -4.120 -14.218 5.109 654 HG2 GLN 82 2HG GLN 82 -4.419 -11.982 4.136 655 HG3 GLN 82 1HG GLN 82 -5.380 -12.709 2.849 656 HE21 GLN 82 1HE2 GLN 82 -5.628 -13.781 6.170 657 HE22 GLN 82 2HE2 GLN 82 -7.195 -13.149 6.456 658 H LEU 83 H LEU 83 -1.742 -13.561 1.280 659 HA LEU 83 HA LEU 83 -3.786 -13.544 -0.724 660 HB2 LEU 83 2HB LEU 83 -0.878 -12.881 -0.708 661 HB3 LEU 83 1HB LEU 83 -1.672 -13.185 -2.236 662 HG LEU 83 HG LEU 83 -1.533 -10.835 -1.856 663 HD11 LEU 83 1HD1 LEU 83 -3.502 -11.652 -2.995 664 HD12 LEU 83 2HD1 LEU 83 -3.842 -10.185 -2.080 665 HD13 LEU 83 3HD1 LEU 83 -4.373 -11.744 -1.464 666 HD21 LEU 83 3HD2 LEU 83 -2.696 -9.738 0.047 667 HD22 LEU 83 1HD2 LEU 83 -1.338 -10.748 0.560 668 HD23 LEU 83 2HD2 LEU 83 -2.986 -11.339 0.736 669 H SER 84 H SER 84 -3.966 -14.821 -2.435 670 HA SER 84 HA SER 84 -2.234 -17.069 -2.801 671 HB2 SER 84 2HB SER 84 -5.254 -17.323 -2.474 672 HB3 SER 84 1HB SER 84 -4.139 -18.633 -2.875 673 HG SER 84 HG SER 84 -3.158 -17.594 -0.764 674 H GLU 85 H GLU 85 -1.581 -16.131 -4.655 675 HA GLU 85 HA GLU 85 -1.530 -15.609 -6.816 676 HB2 GLU 85 2HB GLU 85 -3.149 -17.255 -7.373 677 HB3 GLU 85 1HB GLU 85 -4.490 -16.273 -6.748 678 HG2 GLU 85 2HG GLU 85 -4.561 -16.363 -9.153 679 HG3 GLU 85 1HG GLU 85 -4.061 -14.745 -8.651 680 H LYS 86 H LYS 86 -2.200 -13.861 -8.228 681 HA LYS 86 HA LYS 86 -2.324 -11.375 -6.900 682 HB2 LYS 86 2HB LYS 86 -2.881 -12.118 -9.765 683 HB3 LYS 86 1HB LYS 86 -2.822 -10.489 -9.131 684 HG2 LYS 86 2HG LYS 86 -0.503 -12.398 -9.138 685 HG3 LYS 86 1HG LYS 86 -0.830 -11.171 -10.367 686 HD2 LYS 86 2HD LYS 86 -0.755 -9.450 -8.546 687 HD3 LYS 86 1HD LYS 86 -0.178 -10.720 -7.461 688 HE2 LYS 86 2HE LYS 86 1.711 -9.500 -8.340 689 HE3 LYS 86 1HE LYS 86 1.703 -11.136 -8.996 690 HZ1 LYS 86 3HZ LYS 86 0.510 -10.060 -11.016 691 HZ2 LYS 86 1HZ LYS 86 2.158 -9.692 -10.810 692 HZ3 LYS 86 2HZ LYS 86 0.987 -8.613 -10.336 693 H VAL 87 H VAL 87 -4.014 -10.031 -6.675 694 HA VAL 87 HA VAL 87 -6.654 -11.135 -6.926 695 HB VAL 87 HB VAL 87 -5.730 -8.351 -6.113 696 HG11 VAL 87 1HG1 VAL 87 -8.051 -8.390 -6.869 697 HG12 VAL 87 2HG1 VAL 87 -7.964 -8.107 -5.131 698 HG13 VAL 87 3HG1 VAL 87 -8.404 -9.701 -5.744 699 HG21 VAL 87 3HG2 VAL 87 -6.137 -9.066 -3.797 700 HG22 VAL 87 1HG2 VAL 87 -4.874 -10.023 -4.568 701 HG23 VAL 87 2HG2 VAL 87 -6.493 -10.693 -4.370 702 H SER 88 H SER 88 -7.391 -11.171 -8.910 703 HA SER 88 HA SER 88 -6.524 -9.288 -10.913 704 HB2 SER 88 2HB SER 88 -7.869 -10.895 -12.327 705 HB3 SER 88 1HB SER 88 -6.502 -11.619 -11.470 706 HG SER 88 HG SER 88 -8.236 -12.914 -11.155 707 H GLU 89 H GLU 89 -8.713 -8.989 -12.473 708 HA GLU 89 HA GLU 89 -10.418 -7.296 -11.033 709 HB2 GLU 89 2HB GLU 89 -10.914 -8.640 -13.697 710 HB3 GLU 89 1HB GLU 89 -11.876 -7.336 -13.013 711 HG2 GLU 89 2HG GLU 89 -9.892 -5.895 -13.027 712 HG3 GLU 89 1HG GLU 89 -8.992 -7.193 -13.802 713 H GLN 90 H GLN 90 -10.614 -10.680 -11.908 714 HA GLN 90 HA GLN 90 -13.243 -11.201 -11.055 715 HB2 GLN 90 2HB GLN 90 -11.967 -12.808 -12.364 716 HB3 GLN 90 1HB GLN 90 -10.787 -12.964 -11.076 717 HG2 GLN 90 2HG GLN 90 -12.540 -13.917 -9.631 718 HG3 GLN 90 1HG GLN 90 -13.667 -13.839 -10.986 719 HE21 GLN 90 1HE2 GLN 90 -10.841 -15.364 -9.715 720 HE22 GLN 90 2HE2 GLN 90 -10.808 -16.706 -10.794 721 H GLY 91 H GLY 91 -10.138 -11.497 -9.369 722 HA2 GLY 91 2HA GLY 91 -11.148 -12.259 -6.867 723 HA3 GLY 91 1HA GLY 91 -9.586 -11.502 -7.147 724 H LEU 92 H LEU 92 -10.414 -9.040 -8.160 725 HA LEU 92 HA LEU 92 -10.998 -7.687 -5.756 726 HB2 LEU 92 2HB LEU 92 -9.624 -6.697 -7.538 727 HB3 LEU 92 1HB LEU 92 -11.025 -6.624 -8.584 728 HG LEU 92 HG LEU 92 -12.085 -5.027 -7.018 729 HD11 LEU 92 1HD1 LEU 92 -10.715 -3.958 -5.287 730 HD12 LEU 92 2HD1 LEU 92 -9.435 -5.137 -5.589 731 HD13 LEU 92 3HD1 LEU 92 -10.995 -5.667 -4.958 732 HD21 LEU 92 3HD2 LEU 92 -10.852 -4.201 -8.939 733 HD22 LEU 92 1HD2 LEU 92 -9.354 -4.227 -8.012 734 HD23 LEU 92 2HD2 LEU 92 -10.649 -3.120 -7.563 735 H ILE 93 H ILE 93 -12.952 -8.513 -8.587 736 HA ILE 93 HA ILE 93 -15.239 -7.129 -7.727 737 HB ILE 93 HB ILE 93 -14.885 -9.424 -9.667 738 HG12 ILE 93 2HG1 ILE 93 -15.696 -6.542 -10.098 739 HG13 ILE 93 1HG1 ILE 93 -14.056 -7.155 -10.261 740 HG21 ILE 93 1HG2 ILE 93 -17.228 -9.146 -10.367 741 HG22 ILE 93 2HG2 ILE 93 -17.475 -7.990 -9.060 742 HG23 ILE 93 3HG2 ILE 93 -17.112 -9.676 -8.687 743 HD11 ILE 93 3HD1 ILE 93 -15.129 -6.892 -12.417 744 HD12 ILE 93 1HD1 ILE 93 -16.425 -7.989 -11.924 745 HD13 ILE 93 2HD1 ILE 93 -14.765 -8.580 -12.086 746 H GLU 94 H GLU 94 -14.054 -10.352 -7.095 747 HA GLU 94 HA GLU 94 -16.265 -11.355 -5.676 748 HB2 GLU 94 2HB GLU 94 -14.304 -12.685 -6.469 749 HB3 GLU 94 1HB GLU 94 -13.321 -11.916 -5.240 750 HG2 GLU 94 2HG GLU 94 -13.935 -14.132 -4.530 751 HG3 GLU 94 1HG GLU 94 -14.738 -12.936 -3.510 752 H ILE 95 H ILE 95 -13.361 -9.624 -4.566 753 HA ILE 95 HA ILE 95 -14.143 -9.405 -1.857 754 HB ILE 95 HB ILE 95 -12.231 -7.648 -3.460 755 HG12 ILE 95 2HG1 ILE 95 -11.652 -9.813 -1.436 756 HG13 ILE 95 1HG1 ILE 95 -11.646 -10.100 -3.162 757 HG21 ILE 95 1HG2 ILE 95 -13.079 -6.422 -1.526 758 HG22 ILE 95 2HG2 ILE 95 -11.374 -6.824 -1.342 759 HG23 ILE 95 3HG2 ILE 95 -12.598 -7.747 -0.470 760 HD11 ILE 95 3HD1 ILE 95 -9.401 -9.807 -2.348 761 HD12 ILE 95 1HD1 ILE 95 -9.828 -8.248 -1.643 762 HD13 ILE 95 2HD1 ILE 95 -9.829 -8.454 -3.391 763 H LEU 96 H LEU 96 -14.718 -7.369 -4.626 764 HA LEU 96 HA LEU 96 -15.983 -5.235 -3.365 765 HB2 LEU 96 2HB LEU 96 -15.262 -5.290 -5.741 766 HB3 LEU 96 1HB LEU 96 -16.571 -6.400 -6.081 767 HG LEU 96 HG LEU 96 -18.174 -4.615 -5.396 768 HD11 LEU 96 1HD1 LEU 96 -17.369 -2.307 -5.294 769 HD12 LEU 96 2HD1 LEU 96 -15.707 -2.880 -5.421 770 HD13 LEU 96 3HD1 LEU 96 -16.666 -3.281 -4.000 771 HD21 LEU 96 3HD2 LEU 96 -17.681 -5.068 -7.735 772 HD22 LEU 96 1HD2 LEU 96 -16.302 -3.973 -7.673 773 HD23 LEU 96 2HD2 LEU 96 -17.938 -3.346 -7.473 774 H LYS 97 H LYS 97 -17.257 -8.308 -4.579 775 HA LYS 97 HA LYS 97 -19.983 -7.904 -3.996 776 HB2 LYS 97 2HB LYS 97 -18.397 -10.475 -3.949 777 HB3 LYS 97 1HB LYS 97 -20.150 -10.376 -3.950 778 HG2 LYS 97 2HG LYS 97 -18.361 -9.365 -6.139 779 HG3 LYS 97 1HG LYS 97 -19.169 -10.930 -6.136 780 HD2 LYS 97 2HD LYS 97 -21.335 -9.816 -6.071 781 HD3 LYS 97 1HD LYS 97 -20.538 -8.242 -6.031 782 HE2 LYS 97 2HE LYS 97 -21.330 -8.855 -8.285 783 HE3 LYS 97 1HE LYS 97 -19.583 -8.623 -8.215 784 HZ1 LYS 97 3HZ LYS 97 -20.956 -11.247 -8.107 785 HZ2 LYS 97 1HZ LYS 97 -19.296 -11.014 -8.168 786 HZ3 LYS 97 2HZ LYS 97 -20.262 -10.601 -9.488 787 H LYS 98 H LYS 98 -17.380 -9.342 -2.130 788 HA LYS 98 HA LYS 98 -18.732 -10.034 0.180 789 HB2 LYS 98 2HB LYS 98 -15.901 -9.027 -0.132 790 HB3 LYS 98 1HB LYS 98 -16.531 -9.782 1.325 791 HG2 LYS 98 2HG LYS 98 -16.873 -11.872 0.161 792 HG3 LYS 98 1HG LYS 98 -16.446 -11.124 -1.373 793 HD2 LYS 98 2HD LYS 98 -14.607 -12.480 -0.473 794 HD3 LYS 98 1HD LYS 98 -14.141 -10.794 -0.592 795 HE2 LYS 98 2HE LYS 98 -13.347 -11.660 1.480 796 HE3 LYS 98 1HE LYS 98 -14.651 -10.537 1.822 797 HZ1 LYS 98 3HZ LYS 98 -14.710 -13.496 1.986 798 HZ2 LYS 98 1HZ LYS 98 -16.130 -12.557 1.956 799 HZ3 LYS 98 2HZ LYS 98 -15.008 -12.347 3.169 800 H VAL 99 H VAL 99 -17.221 -6.922 -0.608 801 HA VAL 99 HA VAL 99 -18.160 -5.846 1.873 802 HB VAL 99 HB VAL 99 -17.147 -3.715 1.269 803 HG11 VAL 99 1HG1 VAL 99 -15.716 -5.382 2.262 804 HG12 VAL 99 2HG1 VAL 99 -14.807 -4.433 1.086 805 HG13 VAL 99 3HG1 VAL 99 -15.354 -6.061 0.676 806 HG21 VAL 99 3HG2 VAL 99 -17.651 -3.684 -1.119 807 HG22 VAL 99 1HG2 VAL 99 -16.503 -4.998 -1.381 808 HG23 VAL 99 2HG2 VAL 99 -15.931 -3.417 -0.834 809 H SER 100 H SER 100 -19.515 -5.996 -1.305 810 HA SER 100 HA SER 100 -21.282 -3.799 -0.802 811 HB2 SER 100 2HB SER 100 -21.237 -5.826 -3.039 812 HB3 SER 100 1HB SER 100 -22.248 -4.384 -2.974 813 HG SER 100 HG SER 100 -19.469 -4.623 -3.250 814 H GLN 101 H GLN 101 -21.650 -7.333 -1.159 815 HA GLN 101 HA GLN 101 -24.454 -7.288 -0.722 816 HB2 GLN 101 2HB GLN 101 -22.476 -9.564 -0.678 817 HB3 GLN 101 1HB GLN 101 -24.223 -9.766 -0.621 818 HG2 GLN 101 2HG GLN 101 -24.434 -8.750 -2.817 819 HG3 GLN 101 1HG GLN 101 -22.694 -8.465 -2.862 820 HE21 GLN 101 1HE2 GLN 101 -22.016 -11.076 -1.688 821 HE22 GLN 101 2HE2 GLN 101 -22.336 -12.225 -2.925 822 H GLN 102 H GLN 102 -21.794 -8.463 1.278 823 HA GLN 102 HA GLN 102 -23.660 -8.603 3.548 824 HB2 GLN 102 2HB GLN 102 -20.862 -9.674 3.231 825 HB3 GLN 102 1HB GLN 102 -21.849 -9.858 4.671 826 HG2 GLN 102 2HG GLN 102 -23.449 -11.184 3.430 827 HG3 GLN 102 1HG GLN 102 -22.532 -10.935 1.946 828 HE21 GLN 102 1HE2 GLN 102 -23.213 -13.385 3.366 829 HE22 GLN 102 2HE2 GLN 102 -21.719 -14.178 3.682 830 H THR 103 H THR 103 -21.033 -6.847 2.305 831 HA THR 103 HA THR 103 -19.703 -5.251 2.963 832 HB THR 103 HB THR 103 -21.653 -4.840 5.226 833 HG1 THR 103 1HG THR 103 -22.694 -4.587 3.288 834 HG21 THR 103 3HG2 THR 103 -20.744 -2.538 5.329 835 HG22 THR 103 1HG2 THR 103 -19.621 -2.940 4.021 836 HG23 THR 103 2HG2 THR 103 -19.471 -3.742 5.577 837 H GLU 104 H GLU 104 -18.292 -7.036 3.308 838 HA GLU 104 HA GLU 104 -17.857 -7.767 6.060 839 HB2 GLU 104 2HB GLU 104 -17.839 -9.462 4.244 840 HB3 GLU 104 1HB GLU 104 -16.387 -8.696 3.610 841 HG2 GLU 104 2HG GLU 104 -15.230 -9.154 5.735 842 HG3 GLU 104 1HG GLU 104 -16.674 -9.962 6.333 843 H LYS 105 H LYS 105 -16.775 -6.439 7.186 844 HA LYS 105 HA LYS 105 -14.118 -5.613 6.513 845 HB2 LYS 105 2HB LYS 105 -15.598 -3.753 5.613 846 HB3 LYS 105 1HB LYS 105 -16.320 -3.610 7.207 847 HG2 LYS 105 2HG LYS 105 -14.070 -3.014 8.099 848 HG3 LYS 105 1HG LYS 105 -13.471 -3.012 6.443 849 HD2 LYS 105 2HD LYS 105 -15.054 -1.232 5.867 850 HD3 LYS 105 1HD LYS 105 -15.673 -1.247 7.521 851 HE2 LYS 105 2HE LYS 105 -13.403 -0.668 8.332 852 HE3 LYS 105 1HE LYS 105 -12.864 -0.556 6.656 853 HZ1 LYS 105 3HZ LYS 105 -14.500 1.245 6.329 854 HZ2 LYS 105 1HZ LYS 105 -13.382 1.614 7.532 855 HZ3 LYS 105 2HZ LYS 105 -14.924 1.146 7.958 856 H THR 106 H THR 106 -13.141 -4.950 8.660 857 HA THR 106 HA THR 106 -14.345 -6.312 10.819 858 HB THR 106 HB THR 106 -12.150 -4.307 10.861 859 HG1 THR 106 1HG THR 106 -12.014 -7.172 10.621 860 HG21 THR 106 3HG2 THR 106 -13.031 -4.840 13.086 861 HG22 THR 106 1HG2 THR 106 -11.403 -5.497 12.901 862 HG23 THR 106 2HG2 THR 106 -12.802 -6.562 12.770 863 H THR 107 H THR 107 -16.377 -5.410 10.962 864 HA THR 107 HA THR 107 -16.648 -3.101 12.657 865 HB THR 107 HB THR 107 -18.023 -3.182 9.933 866 HG1 THR 107 1HG THR 107 -15.637 -2.301 10.581 867 HG21 THR 107 3HG2 THR 107 -18.081 -1.077 12.114 868 HG22 THR 107 1HG2 THR 107 -19.411 -2.154 11.684 869 HG23 THR 107 2HG2 THR 107 -18.858 -0.933 10.536 870 H THR 108 H THR 108 -18.376 -3.515 14.012 871 HA THR 108 HA THR 108 -20.581 -5.084 13.150 872 HB THR 108 HB THR 108 -18.997 -6.859 13.792 873 HG1 THR 108 1HG THR 108 -20.422 -7.952 14.946 874 HG21 THR 108 3HG2 THR 108 -18.962 -5.524 16.507 875 HG22 THR 108 1HG2 THR 108 -17.608 -5.627 15.382 876 HG23 THR 108 2HG2 THR 108 -18.245 -7.090 16.134 877 H VAL 109 H VAL 109 -22.246 -5.042 14.799 878 HA VAL 109 HA VAL 109 -21.932 -2.724 16.586 879 HB VAL 109 HB VAL 109 -24.533 -3.783 15.447 880 HG11 VAL 109 1HG1 VAL 109 -24.785 -2.602 17.569 881 HG12 VAL 109 2HG1 VAL 109 -25.499 -1.683 16.247 882 HG13 VAL 109 3HG1 VAL 109 -23.931 -1.211 16.902 883 HG21 VAL 109 3HG2 VAL 109 -23.178 -2.879 13.637 884 HG22 VAL 109 1HG2 VAL 109 -22.926 -1.390 14.547 885 HG23 VAL 109 2HG2 VAL 109 -24.541 -1.810 13.972 886 H LYS 110 H LYS 110 -23.397 -5.906 16.201 887 HA LYS 110 HA LYS 110 -23.342 -6.211 19.102 888 HB2 LYS 110 2HB LYS 110 -25.730 -6.873 17.359 889 HB3 LYS 110 1HB LYS 110 -25.576 -7.342 19.042 890 HG2 LYS 110 2HG LYS 110 -25.589 -5.040 19.743 891 HG3 LYS 110 1HG LYS 110 -25.556 -4.499 18.071 892 HD2 LYS 110 2HD LYS 110 -27.781 -4.210 18.809 893 HD3 LYS 110 1HD LYS 110 -27.800 -5.636 17.784 894 HE2 LYS 110 2HE LYS 110 -27.674 -5.737 20.804 895 HE3 LYS 110 1HE LYS 110 -29.178 -5.741 19.903 896 HZ1 LYS 110 3HZ LYS 110 -27.152 -7.924 20.091 897 HZ2 LYS 110 1HZ LYS 110 -28.246 -7.829 18.784 898 HZ3 LYS 110 2HZ LYS 110 -28.791 -7.903 20.335 899 H PHE 111 H PHE 111 -22.464 -8.032 19.698 900 HA PHE 111 HA PHE 111 -22.047 -10.207 17.810 901 HB2 PHE 111 2HB PHE 111 -21.227 -9.901 20.720 902 HB3 PHE 111 1HB PHE 111 -20.769 -11.237 19.676 903 HD1 PHE 111 1HD PHE 111 -19.152 -10.866 17.846 904 HD2 PHE 111 2HD PHE 111 -20.099 -7.814 20.661 905 HE1 PHE 111 1HE PHE 111 -17.107 -9.650 17.215 906 HE2 PHE 111 2HE PHE 111 -18.059 -6.593 20.029 907 HZ PHE 111 HZ PHE 111 -16.562 -7.511 18.303 908 H ASN 112 H ASN 112 -23.538 -9.452 20.894 909 HA ASN 112 HA ASN 112 -25.247 -11.823 20.678 910 HB2 ASN 112 2HB ASN 112 -24.599 -10.058 23.071 911 HB3 ASN 112 1HB ASN 112 -25.821 -11.317 23.095 912 HD21 ASN 112 1HD2 ASN 112 -24.751 -12.335 24.772 913 HD22 ASN 112 2HD2 ASN 112 -23.309 -13.245 24.554 Start of MODEL 3 1 H1 GLY 0 1HT GLY 0 23.518 6.429 27.217 2 H2 GLY 0 2HT GLY 0 24.080 5.272 26.125 3 H3 GLY 0 3HT GLY 0 23.074 6.513 25.592 4 HA2 GLY 0 1HA GLY 0 25.796 6.841 26.685 5 HA3 GLY 0 2HA GLY 0 25.361 6.949 24.985 6 H SER 1 H SER 1 24.488 8.834 24.226 7 HA SER 1 HA SER 1 23.444 10.796 26.062 8 HB2 SER 1 2HB SER 1 25.752 11.405 24.183 9 HB3 SER 1 1HB SER 1 24.897 12.586 25.178 10 HG SER 1 HG SER 1 25.627 10.649 26.777 11 H ALA 2 H ALA 2 21.560 11.201 25.211 12 HA ALA 2 HA ALA 2 20.595 10.387 22.771 13 HB1 ALA 2 1HB ALA 2 19.201 10.953 24.682 14 HB2 ALA 2 2HB ALA 2 18.656 11.765 23.217 15 HB3 ALA 2 3HB ALA 2 19.559 12.661 24.440 16 H ASP 3 H ASP 3 21.923 13.528 23.594 17 HA ASP 3 HA ASP 3 21.206 14.859 21.200 18 HB2 ASP 3 2HB ASP 3 21.831 16.126 23.161 19 HB3 ASP 3 1HB ASP 3 23.443 15.420 23.148 20 H GLU 4 H GLU 4 23.935 12.929 22.086 21 HA GLU 4 HA GLU 4 25.493 13.642 19.787 22 HB2 GLU 4 2HB GLU 4 26.338 12.989 22.130 23 HB3 GLU 4 1HB GLU 4 25.978 11.336 21.677 24 HG2 GLU 4 2HG GLU 4 27.921 13.139 20.235 25 HG3 GLU 4 1HG GLU 4 28.369 11.968 21.461 26 H GLU 5 H GLU 5 23.796 10.740 20.953 27 HA GLU 5 HA GLU 5 24.363 9.149 18.715 28 HB2 GLU 5 2HB GLU 5 22.645 7.617 19.554 29 HB3 GLU 5 1HB GLU 5 23.736 8.149 20.825 30 HG2 GLU 5 2HG GLU 5 22.072 9.775 21.537 31 HG3 GLU 5 1HG GLU 5 20.964 9.159 20.313 32 H LEU 6 H LEU 6 21.814 11.447 19.276 33 HA LEU 6 HA LEU 6 19.987 10.673 17.318 34 HB2 LEU 6 2HB LEU 6 19.688 12.473 19.069 35 HB3 LEU 6 1HB LEU 6 20.711 13.510 18.118 36 HG LEU 6 HG LEU 6 18.055 12.460 17.100 37 HD11 LEU 6 1HD1 LEU 6 17.690 13.721 19.153 38 HD12 LEU 6 2HD1 LEU 6 17.123 14.627 17.750 39 HD13 LEU 6 3HD1 LEU 6 18.652 15.056 18.518 40 HD21 LEU 6 3HD2 LEU 6 19.584 13.330 15.373 41 HD22 LEU 6 1HD2 LEU 6 19.733 14.842 16.271 42 HD23 LEU 6 2HD2 LEU 6 18.178 14.375 15.582 43 H GLU 7 H GLU 7 22.794 12.820 17.074 44 HA GLU 7 HA GLU 7 22.442 13.113 14.270 45 HB2 GLU 7 2HB GLU 7 24.696 13.951 16.075 46 HB3 GLU 7 1HB GLU 7 24.612 14.328 14.360 47 HG2 GLU 7 2HG GLU 7 22.567 15.191 16.401 48 HG3 GLU 7 1HG GLU 7 23.921 16.167 15.835 49 H ALA 8 H ALA 8 24.553 11.288 16.401 50 HA ALA 8 HA ALA 8 26.340 10.329 14.475 51 HB1 ALA 8 1HB ALA 8 26.979 8.642 16.083 52 HB2 ALA 8 2HB ALA 8 25.500 8.911 16.998 53 HB3 ALA 8 3HB ALA 8 26.726 10.179 16.915 54 H LEU 9 H LEU 9 23.408 8.757 15.780 55 HA LEU 9 HA LEU 9 23.608 6.474 14.169 56 HB2 LEU 9 2HB LEU 9 22.201 6.595 16.204 57 HB3 LEU 9 1HB LEU 9 21.139 7.726 15.407 58 HG LEU 9 HG LEU 9 21.482 4.850 14.473 59 HD11 LEU 9 1HD1 LEU 9 19.370 4.405 15.605 60 HD12 LEU 9 2HD1 LEU 9 19.403 6.028 16.298 61 HD13 LEU 9 3HD1 LEU 9 20.641 4.848 16.737 62 HD21 LEU 9 3HD2 LEU 9 20.514 6.375 12.800 63 HD22 LEU 9 1HD2 LEU 9 19.287 6.865 13.970 64 HD23 LEU 9 2HD2 LEU 9 19.329 5.205 13.379 65 H ARG 10 H ARG 10 21.781 9.496 13.764 66 HA ARG 10 HA ARG 10 20.562 8.612 11.403 67 HB2 ARG 10 2HB ARG 10 19.639 10.493 12.710 68 HB3 ARG 10 1HB ARG 10 21.001 11.495 12.207 69 HG2 ARG 10 2HG ARG 10 20.376 11.153 9.871 70 HG3 ARG 10 1HG ARG 10 18.988 10.211 10.387 71 HD2 ARG 10 2HD ARG 10 18.083 12.210 11.487 72 HD3 ARG 10 1HD ARG 10 19.500 13.125 10.938 73 HE ARG 10 HE ARG 10 17.698 11.745 9.092 74 HH11 ARG 10 1HH1 ARG 10 19.228 14.792 10.088 75 HH12 ARG 10 2HH1 ARG 10 19.005 15.524 8.561 76 HH21 ARG 10 1HH2 ARG 10 17.408 12.812 6.996 77 HH22 ARG 10 2HH2 ARG 10 18.006 14.411 6.846 78 H ARG 11 H ARG 11 23.524 10.481 11.908 79 HA ARG 11 HA ARG 11 24.029 11.126 9.197 80 HB2 ARG 11 2HB ARG 11 25.236 11.792 11.493 81 HB3 ARG 11 1HB ARG 11 26.213 10.413 10.998 82 HG2 ARG 11 2HG ARG 11 27.441 12.064 10.036 83 HG3 ARG 11 1HG ARG 11 26.311 11.738 8.718 84 HD2 ARG 11 2HD ARG 11 26.041 13.909 10.799 85 HD3 ARG 11 1HD ARG 11 26.525 14.142 9.121 86 HE ARG 11 HE ARG 11 24.293 13.477 8.493 87 HH11 ARG 11 1HH1 ARG 11 24.744 14.258 11.932 88 HH12 ARG 11 2HH1 ARG 11 23.163 14.807 12.201 89 HH21 ARG 11 1HH2 ARG 11 22.082 14.330 8.821 90 HH22 ARG 11 2HH2 ARG 11 21.633 14.899 10.358 91 H GLN 12 H GLN 12 25.072 8.472 11.245 92 HA GLN 12 HA GLN 12 26.598 7.121 9.337 93 HB2 GLN 12 2HB GLN 12 26.631 6.816 11.830 94 HB3 GLN 12 1HB GLN 12 25.107 5.961 11.691 95 HG2 GLN 12 2HG GLN 12 26.143 4.190 10.469 96 HG3 GLN 12 1HG GLN 12 27.657 5.091 10.354 97 HE21 GLN 12 1HE2 GLN 12 27.200 2.488 11.508 98 HE22 GLN 12 2HE2 GLN 12 27.725 2.592 13.152 99 H ARG 13 H ARG 13 23.238 6.712 10.373 100 HA ARG 13 HA ARG 13 22.430 4.614 8.730 101 HB2 ARG 13 2HB ARG 13 21.054 5.415 10.533 102 HB3 ARG 13 1HB ARG 13 20.913 6.995 9.784 103 HG2 ARG 13 2HG ARG 13 19.586 6.000 7.969 104 HG3 ARG 13 1HG ARG 13 19.706 4.424 8.762 105 HD2 ARG 13 2HD ARG 13 18.607 5.282 10.712 106 HD3 ARG 13 1HD ARG 13 18.562 6.901 10.027 107 HE ARG 13 HE ARG 13 17.244 5.147 8.281 108 HH11 ARG 13 1HH1 ARG 13 16.755 6.514 11.534 109 HH12 ARG 13 2HH1 ARG 13 15.061 6.441 11.443 110 HH21 ARG 13 1HH2 ARG 13 14.932 5.148 8.154 111 HH22 ARG 13 2HH2 ARG 13 13.976 5.647 9.480 112 H LEU 14 H LEU 14 22.479 8.134 8.040 113 HA LEU 14 HA LEU 14 21.284 7.915 5.546 114 HB2 LEU 14 2HB LEU 14 22.623 9.884 7.111 115 HB3 LEU 14 1HB LEU 14 22.911 10.143 5.399 116 HG LEU 14 HG LEU 14 21.026 11.496 6.174 117 HD11 LEU 14 1HD1 LEU 14 20.083 9.178 4.511 118 HD12 LEU 14 2HD1 LEU 14 20.936 10.601 3.930 119 HD13 LEU 14 3HD1 LEU 14 19.317 10.767 4.616 120 HD21 LEU 14 3HD2 LEU 14 20.374 10.101 8.088 121 HD22 LEU 14 1HD2 LEU 14 19.731 8.893 6.981 122 HD23 LEU 14 2HD2 LEU 14 18.993 10.495 7.064 123 H ALA 15 H ALA 15 24.587 7.834 6.623 124 HA ALA 15 HA ALA 15 25.806 7.820 4.089 125 HB1 ALA 15 1HB ALA 15 27.032 8.400 6.116 126 HB2 ALA 15 2HB ALA 15 27.818 7.067 5.259 127 HB3 ALA 15 3HB ALA 15 26.852 6.745 6.701 128 H GLU 16 H GLU 16 24.801 5.280 6.265 129 HA GLU 16 HA GLU 16 25.666 2.976 4.991 130 HB2 GLU 16 2HB GLU 16 23.072 3.482 6.437 131 HB3 GLU 16 1HB GLU 16 23.683 1.892 6.020 132 HG2 GLU 16 2HG GLU 16 25.115 3.854 7.757 133 HG3 GLU 16 1HG GLU 16 24.061 2.608 8.392 134 H LEU 17 H LEU 17 22.688 4.790 4.518 135 HA LEU 17 HA LEU 17 21.610 3.082 2.559 136 HB2 LEU 17 2HB LEU 17 20.341 4.689 4.001 137 HB3 LEU 17 1HB LEU 17 21.025 6.008 3.094 138 HG LEU 17 HG LEU 17 18.653 5.525 2.553 139 HD11 LEU 17 1HD1 LEU 17 20.484 5.073 0.236 140 HD12 LEU 17 2HD1 LEU 17 20.067 6.632 0.916 141 HD13 LEU 17 3HD1 LEU 17 18.812 5.643 0.142 142 HD21 LEU 17 3HD2 LEU 17 18.662 3.116 2.839 143 HD22 LEU 17 1HD2 LEU 17 19.715 2.936 1.436 144 HD23 LEU 17 2HD2 LEU 17 18.075 3.552 1.233 145 H GLN 18 H GLN 18 23.093 6.274 2.248 146 HA GLN 18 HA GLN 18 24.402 5.584 -0.247 147 HB2 GLN 18 2HB GLN 18 22.004 7.358 -0.304 148 HB3 GLN 18 1HB GLN 18 23.332 7.685 -1.400 149 HG2 GLN 18 2HG GLN 18 21.813 5.091 -1.214 150 HG3 GLN 18 1HG GLN 18 21.578 6.346 -2.440 151 HE21 GLN 18 1HE2 GLN 18 22.328 3.567 -2.730 152 HE22 GLN 18 2HE2 GLN 18 23.861 3.562 -3.529 153 H ALA 19 H ALA 19 23.774 7.888 2.261 154 HA ALA 19 HA ALA 19 24.990 9.413 3.238 155 HB1 ALA 19 1HB ALA 19 27.122 9.144 1.131 156 HB2 ALA 19 2HB ALA 19 27.036 8.125 2.552 157 HB3 ALA 19 3HB ALA 19 27.301 9.868 2.737 158 H LYS 20 H LYS 20 23.970 11.179 3.226 159 HA LYS 20 HA LYS 20 24.541 13.193 1.333 160 HB2 LYS 20 2HB LYS 20 22.282 13.604 0.531 161 HB3 LYS 20 1HB LYS 20 22.716 11.958 0.117 162 HG2 LYS 20 2HG LYS 20 21.391 11.121 1.961 163 HG3 LYS 20 1HG LYS 20 20.990 12.772 2.450 164 HD2 LYS 20 2HD LYS 20 19.963 13.098 0.204 165 HD3 LYS 20 1HD LYS 20 20.241 11.386 -0.117 166 HE2 LYS 20 2HE LYS 20 18.865 10.821 1.847 167 HE3 LYS 20 1HE LYS 20 18.545 12.533 2.101 168 HZ1 LYS 20 3HZ LYS 20 16.712 11.592 0.902 169 HZ2 LYS 20 1HZ LYS 20 17.756 10.907 -0.241 170 HZ3 LYS 20 2HZ LYS 20 17.564 12.571 -0.160 171 H HIS 21 H HIS 21 23.838 15.209 2.172 172 HA HIS 21 HA HIS 21 22.674 15.113 4.862 173 HB2 HIS 21 2HB HIS 21 25.249 15.103 4.896 174 HB3 HIS 21 1HB HIS 21 25.156 16.722 4.227 175 HD1 HIS 21 1HD HIS 21 26.563 16.982 6.624 176 HD2 HIS 21 2HD HIS 21 22.441 16.522 6.828 177 HE1 HIS 21 1HE HIS 21 25.909 17.746 8.907 178 HE2 HIS 21 2HE HIS 21 23.417 17.651 8.940 179 H GLY 22 H GLY 22 22.029 15.968 2.040 180 HA2 GLY 22 2HA GLY 22 21.834 18.840 2.176 181 HA3 GLY 22 1HA GLY 22 21.273 17.807 0.872 182 H ASP 23 H ASP 23 20.555 18.192 4.306 183 HA ASP 23 HA ASP 23 17.871 18.927 3.629 184 HB2 ASP 23 2HB ASP 23 16.697 17.256 4.875 185 HB3 ASP 23 1HB ASP 23 17.836 16.373 3.873 186 HA PRO 24 HA PRO 24 18.844 21.078 7.437 187 HB2 PRO 24 2HB PRO 24 17.018 23.126 6.904 188 HB3 PRO 24 1HB PRO 24 18.717 23.131 6.435 189 HG2 PRO 24 2HG PRO 24 16.455 23.010 4.711 190 HG3 PRO 24 1HG PRO 24 18.160 22.889 4.260 191 HD2 PRO 24 2HD PRO 24 16.144 20.750 4.630 192 HD3 PRO 24 1HD PRO 24 17.619 20.794 3.628 193 H GLY 25 H GLY 25 16.635 19.003 6.901 194 HA2 GLY 25 2HA GLY 25 15.236 18.193 8.697 195 HA3 GLY 25 1HA GLY 25 14.880 19.871 9.079 196 H ASP 26 H ASP 26 14.024 21.039 6.957 197 HA ASP 26 HA ASP 26 11.420 20.057 6.600 198 HB2 ASP 26 2HB ASP 26 11.083 21.878 4.990 199 HB3 ASP 26 1HB ASP 26 11.932 22.448 6.421 200 H ALA 27 H ALA 27 14.271 19.661 4.647 201 HA ALA 27 HA ALA 27 12.971 18.636 2.354 202 HB1 ALA 27 1HB ALA 27 15.150 17.807 1.672 203 HB2 ALA 27 2HB ALA 27 15.778 18.079 3.295 204 HB3 ALA 27 3HB ALA 27 15.285 19.446 2.302 205 H ALA 28 H ALA 28 14.301 17.067 5.231 206 HA ALA 28 HA ALA 28 14.056 14.435 4.298 207 HB1 ALA 28 1HB ALA 28 15.551 15.066 6.127 208 HB2 ALA 28 2HB ALA 28 14.454 13.771 6.608 209 HB3 ALA 28 3HB ALA 28 14.151 15.429 7.133 210 H GLN 29 H GLN 29 11.903 16.427 6.284 211 HA GLN 29 HA GLN 29 10.054 14.356 6.730 212 HB2 GLN 29 2HB GLN 29 8.449 16.109 7.397 213 HB3 GLN 29 1HB GLN 29 10.007 16.273 8.181 214 HG2 GLN 29 2HG GLN 29 10.612 18.044 6.615 215 HG3 GLN 29 1HG GLN 29 9.044 17.878 5.829 216 HE21 GLN 29 1HE2 GLN 29 7.647 17.437 8.380 217 HE22 GLN 29 2HE2 GLN 29 7.564 18.972 9.127 218 H GLN 30 H GLN 30 10.279 16.729 4.149 219 HA GLN 30 HA GLN 30 7.809 16.002 2.955 220 HB2 GLN 30 2HB GLN 30 10.229 17.396 1.814 221 HB3 GLN 30 1HB GLN 30 8.776 17.083 0.873 222 HG2 GLN 30 2HG GLN 30 8.941 18.732 3.384 223 HG3 GLN 30 1HG GLN 30 8.773 19.344 1.734 224 HE21 GLN 30 1HE2 GLN 30 6.828 19.035 0.661 225 HE22 GLN 30 2HE2 GLN 30 5.357 18.670 1.467 226 H GLU 31 H GLU 31 11.056 14.837 2.639 227 HA GLU 31 HA GLU 31 10.552 13.105 0.450 228 HB2 GLU 31 2HB GLU 31 12.788 13.948 1.085 229 HB3 GLU 31 1HB GLU 31 12.703 13.027 2.575 230 HG2 GLU 31 2HG GLU 31 12.805 10.977 1.396 231 HG3 GLU 31 1HG GLU 31 12.595 11.797 -0.151 232 H ALA 32 H ALA 32 10.305 12.794 3.919 233 HA ALA 32 HA ALA 32 9.713 10.039 3.972 234 HB1 ALA 32 1HB ALA 32 10.408 11.273 5.981 235 HB2 ALA 32 2HB ALA 32 8.858 10.472 6.236 236 HB3 ALA 32 3HB ALA 32 8.914 12.208 5.920 237 H LYS 33 H LYS 33 7.749 12.953 3.721 238 HA LYS 33 HA LYS 33 5.233 11.660 3.702 239 HB2 LYS 33 2HB LYS 33 5.427 14.033 4.234 240 HB3 LYS 33 1HB LYS 33 6.054 14.372 2.630 241 HG2 LYS 33 2HG LYS 33 3.733 15.057 2.748 242 HG3 LYS 33 1HG LYS 33 3.926 13.662 1.673 243 HD2 LYS 33 2HD LYS 33 3.144 12.169 3.444 244 HD3 LYS 33 1HD LYS 33 2.930 13.549 4.522 245 HE2 LYS 33 2HE LYS 33 1.279 14.495 2.988 246 HE3 LYS 33 1HE LYS 33 1.523 13.139 1.888 247 HZ1 LYS 33 3HZ LYS 33 0.665 11.648 3.607 248 HZ2 LYS 33 1HZ LYS 33 -0.449 12.857 3.223 249 HZ3 LYS 33 2HZ LYS 33 0.435 12.972 4.642 250 H HIS 34 H HIS 34 7.581 12.262 1.232 251 HA HIS 34 HA HIS 34 5.987 11.741 -1.048 252 HB2 HIS 34 2HB HIS 34 8.342 12.691 -1.019 253 HB3 HIS 34 1HB HIS 34 8.943 11.082 -0.696 254 HD1 HIS 34 1HD HIS 34 8.658 9.292 -2.791 255 HD2 HIS 34 2HD HIS 34 7.837 13.300 -3.622 256 HE1 HIS 34 1HE HIS 34 8.749 9.505 -5.237 257 HE2 HIS 34 2HE HIS 34 8.593 11.963 -5.672 258 H ARG 35 H ARG 35 8.080 9.676 0.898 259 HA ARG 35 HA ARG 35 7.338 7.268 -0.376 260 HB2 ARG 35 2HB ARG 35 8.843 7.849 2.154 261 HB3 ARG 35 1HB ARG 35 8.477 6.199 1.664 262 HG2 ARG 35 2HG ARG 35 9.690 6.442 -0.361 263 HG3 ARG 35 1HG ARG 35 9.879 8.172 -0.107 264 HD2 ARG 35 2HD ARG 35 11.328 7.764 1.788 265 HD3 ARG 35 1HD ARG 35 11.063 6.024 1.646 266 HE ARG 35 HE ARG 35 12.629 5.950 0.046 267 HH11 ARG 35 1HH1 ARG 35 11.504 9.331 0.158 268 HH12 ARG 35 2HH1 ARG 35 12.600 9.859 -1.028 269 HH21 ARG 35 1HH2 ARG 35 14.148 6.761 -1.577 270 HH22 ARG 35 2HH2 ARG 35 14.135 8.414 -1.981 271 H GLU 36 H GLU 36 5.936 9.062 2.145 272 HA GLU 36 HA GLU 36 4.447 7.245 3.616 273 HB2 GLU 36 2HB GLU 36 4.787 9.723 3.933 274 HB3 GLU 36 1HB GLU 36 3.626 10.008 2.661 275 HG2 GLU 36 2HG GLU 36 3.039 8.668 5.288 276 HG3 GLU 36 1HG GLU 36 2.811 10.371 4.971 277 H ALA 37 H ALA 37 3.611 8.896 0.581 278 HA ALA 37 HA ALA 37 1.155 7.506 0.120 279 HB1 ALA 37 1HB ALA 37 1.253 8.558 -2.069 280 HB2 ALA 37 2HB ALA 37 2.925 9.034 -1.780 281 HB3 ALA 37 3HB ALA 37 1.635 9.738 -0.814 282 H GLU 38 H GLU 38 4.461 7.182 -0.994 283 HA GLU 38 HA GLU 38 4.041 5.350 -3.024 284 HB2 GLU 38 2HB GLU 38 6.455 5.670 -1.286 285 HB3 GLU 38 1HB GLU 38 6.396 4.724 -2.759 286 HG2 GLU 38 2HG GLU 38 5.820 6.760 -4.009 287 HG3 GLU 38 1HG GLU 38 5.999 7.689 -2.518 288 H MET 39 H MET 39 4.834 4.692 0.348 289 HA MET 39 HA MET 39 5.142 1.914 -0.045 290 HB2 MET 39 2HB MET 39 4.479 3.363 2.519 291 HB3 MET 39 1HB MET 39 4.945 1.670 2.428 292 HG2 MET 39 2HG MET 39 6.627 4.063 1.702 293 HG3 MET 39 1HG MET 39 6.849 2.992 3.079 294 HE1 MET 39 3HE MET 39 7.989 -0.352 1.298 295 HE2 MET 39 1HE MET 39 6.351 0.103 1.761 296 HE3 MET 39 2HE MET 39 7.702 0.428 2.851 297 H ARG 40 H ARG 40 2.329 3.766 0.852 298 HA ARG 40 HA ARG 40 0.624 1.530 1.274 299 HB2 ARG 40 2HB ARG 40 0.111 3.690 2.215 300 HB3 ARG 40 1HB ARG 40 0.071 4.419 0.623 301 HG2 ARG 40 2HG ARG 40 -1.963 3.283 0.096 302 HG3 ARG 40 1HG ARG 40 -1.862 2.320 1.574 303 HD2 ARG 40 2HD ARG 40 -3.439 4.204 1.782 304 HD3 ARG 40 1HD ARG 40 -2.116 4.283 2.936 305 HE ARG 40 HE ARG 40 -2.470 5.980 0.567 306 HH11 ARG 40 1HH1 ARG 40 -0.822 5.336 3.644 307 HH12 ARG 40 2HH1 ARG 40 -0.118 6.886 3.757 308 HH21 ARG 40 1HH2 ARG 40 -1.476 8.178 0.797 309 HH22 ARG 40 2HH2 ARG 40 -0.486 8.478 2.167 310 H ASN 41 H ASN 41 1.301 3.637 -1.444 311 HA ASN 41 HA ASN 41 -0.514 2.559 -3.294 312 HB2 ASN 41 2HB ASN 41 0.681 4.720 -3.497 313 HB3 ASN 41 1HB ASN 41 2.173 3.848 -3.764 314 HD21 ASN 41 1HD2 ASN 41 2.541 4.679 -5.774 315 HD22 ASN 41 2HD2 ASN 41 1.601 4.265 -7.153 316 H SER 42 H SER 42 2.820 1.745 -2.435 317 HA SER 42 HA SER 42 3.412 -0.063 -4.437 318 HB2 SER 42 2HB SER 42 4.406 0.081 -1.592 319 HB3 SER 42 1HB SER 42 5.123 -0.918 -2.851 320 HG SER 42 HG SER 42 4.747 1.772 -3.433 321 H ILE 43 H ILE 43 1.899 -0.663 -1.223 322 HA ILE 43 HA ILE 43 1.914 -3.452 -1.696 323 HB ILE 43 HB ILE 43 0.470 -3.798 0.218 324 HG12 ILE 43 2HG1 ILE 43 0.041 -0.776 0.339 325 HG13 ILE 43 1HG1 ILE 43 -1.154 -1.969 -0.139 326 HG21 ILE 43 1HG2 ILE 43 1.781 -2.697 1.976 327 HG22 ILE 43 2HG2 ILE 43 2.494 -1.639 0.762 328 HG23 ILE 43 3HG2 ILE 43 2.785 -3.378 0.693 329 HD11 ILE 43 3HD1 ILE 43 0.127 -1.745 2.566 330 HD12 ILE 43 1HD1 ILE 43 -1.109 -2.912 2.091 331 HD13 ILE 43 2HD1 ILE 43 -1.486 -1.187 2.118 332 H LEU 44 H LEU 44 -0.433 -0.956 -2.331 333 HA LEU 44 HA LEU 44 -2.519 -2.653 -3.161 334 HB2 LEU 44 2HB LEU 44 -1.884 0.186 -3.945 335 HB3 LEU 44 1HB LEU 44 -3.365 -0.639 -4.374 336 HG LEU 44 HG LEU 44 -2.468 0.005 -1.561 337 HD11 LEU 44 1HD1 LEU 44 -4.324 1.598 -1.580 338 HD12 LEU 44 2HD1 LEU 44 -4.626 1.221 -3.278 339 HD13 LEU 44 3HD1 LEU 44 -3.112 1.992 -2.800 340 HD21 LEU 44 3HD2 LEU 44 -5.030 -1.229 -2.590 341 HD22 LEU 44 1HD2 LEU 44 -4.737 -0.717 -0.929 342 HD23 LEU 44 2HD2 LEU 44 -3.798 -2.034 -1.617 343 H ALA 45 H ALA 45 0.125 -1.123 -4.927 344 HA ALA 45 HA ALA 45 -0.640 -2.039 -7.475 345 HB1 ALA 45 1HB ALA 45 2.113 -1.255 -6.528 346 HB2 ALA 45 2HB ALA 45 0.874 -0.138 -7.085 347 HB3 ALA 45 3HB ALA 45 1.560 -1.320 -8.202 348 H GLN 46 H GLN 46 0.900 -3.704 -4.888 349 HA GLN 46 HA GLN 46 1.854 -5.849 -6.701 350 HB2 GLN 46 2HB GLN 46 2.194 -5.659 -3.702 351 HB3 GLN 46 1HB GLN 46 2.940 -6.832 -4.770 352 HG2 GLN 46 2HG GLN 46 3.502 -3.878 -4.639 353 HG3 GLN 46 1HG GLN 46 4.556 -5.184 -4.116 354 HE21 GLN 46 1HE2 GLN 46 5.045 -3.060 -5.994 355 HE22 GLN 46 2HE2 GLN 46 5.460 -3.787 -7.492 356 H VAL 47 H VAL 47 -0.528 -5.342 -4.126 357 HA VAL 47 HA VAL 47 -1.269 -8.137 -4.288 358 HB VAL 47 HB VAL 47 -2.957 -7.711 -2.620 359 HG11 VAL 47 1HG1 VAL 47 -0.736 -8.061 -1.816 360 HG12 VAL 47 2HG1 VAL 47 -1.535 -6.861 -0.791 361 HG13 VAL 47 3HG1 VAL 47 -0.357 -6.351 -1.999 362 HG21 VAL 47 3HG2 VAL 47 -3.312 -5.461 -1.647 363 HG22 VAL 47 1HG2 VAL 47 -3.786 -5.535 -3.346 364 HG23 VAL 47 2HG2 VAL 47 -2.257 -4.784 -2.890 365 H LEU 48 H LEU 48 -2.282 -5.240 -5.766 366 HA LEU 48 HA LEU 48 -4.466 -6.749 -6.976 367 HB2 LEU 48 2HB LEU 48 -3.883 -3.802 -6.987 368 HB3 LEU 48 1HB LEU 48 -5.174 -4.566 -7.892 369 HG LEU 48 HG LEU 48 -4.925 -4.436 -4.871 370 HD11 LEU 48 1HD1 LEU 48 -6.867 -2.968 -4.992 371 HD12 LEU 48 2HD1 LEU 48 -6.802 -3.024 -6.754 372 HD13 LEU 48 3HD1 LEU 48 -5.480 -2.294 -5.841 373 HD21 LEU 48 3HD2 LEU 48 -6.029 -6.485 -5.544 374 HD22 LEU 48 1HD2 LEU 48 -7.108 -5.578 -6.607 375 HD23 LEU 48 2HD2 LEU 48 -7.202 -5.355 -4.863 376 H ASP 49 H ASP 49 -4.208 -7.389 -8.930 377 HA ASP 49 HA ASP 49 -1.837 -6.963 -10.403 378 HB2 ASP 49 2HB ASP 49 -3.338 -8.948 -10.701 379 HB3 ASP 49 1HB ASP 49 -4.561 -7.881 -11.378 380 H GLN 50 H GLN 50 -1.734 -5.834 -12.394 381 HA GLN 50 HA GLN 50 -2.351 -3.149 -12.250 382 HB2 GLN 50 2HB GLN 50 -1.661 -4.900 -14.555 383 HB3 GLN 50 1HB GLN 50 -1.797 -3.154 -14.689 384 HG2 GLN 50 2HG GLN 50 -0.027 -2.881 -13.051 385 HG3 GLN 50 1HG GLN 50 0.019 -4.625 -12.797 386 HE21 GLN 50 1HE2 GLN 50 2.101 -2.830 -13.595 387 HE22 GLN 50 2HE2 GLN 50 2.718 -3.399 -15.095 388 H SER 51 H SER 51 -4.155 -5.692 -13.793 389 HA SER 51 HA SER 51 -5.982 -3.886 -15.080 390 HB2 SER 51 2HB SER 51 -6.331 -6.852 -14.539 391 HB3 SER 51 1HB SER 51 -7.255 -5.879 -15.677 392 HG SER 51 HG SER 51 -4.873 -5.364 -16.383 393 H ALA 52 H ALA 52 -5.801 -5.451 -11.989 394 HA ALA 52 HA ALA 52 -8.513 -4.905 -11.243 395 HB1 ALA 52 1HB ALA 52 -6.124 -5.631 -9.537 396 HB2 ALA 52 2HB ALA 52 -7.303 -6.761 -10.201 397 HB3 ALA 52 3HB ALA 52 -7.799 -5.584 -8.983 398 H ARG 53 H ARG 53 -5.387 -3.410 -10.879 399 HA ARG 53 HA ARG 53 -6.066 -1.238 -9.230 400 HB2 ARG 53 2HB ARG 53 -4.002 -1.476 -11.431 401 HB3 ARG 53 1HB ARG 53 -4.151 -0.053 -10.419 402 HG2 ARG 53 2HG ARG 53 -3.581 -2.828 -9.355 403 HG3 ARG 53 1HG ARG 53 -2.351 -1.618 -9.716 404 HD2 ARG 53 2HD ARG 53 -4.600 -1.310 -7.721 405 HD3 ARG 53 1HD ARG 53 -2.913 -1.640 -7.339 406 HE ARG 53 HE ARG 53 -2.688 0.586 -8.778 407 HH11 ARG 53 1HH1 ARG 53 -4.800 -0.115 -6.024 408 HH12 ARG 53 2HH1 ARG 53 -4.890 1.516 -5.521 409 HH21 ARG 53 1HH2 ARG 53 -2.800 2.754 -8.084 410 HH22 ARG 53 2HH2 ARG 53 -3.720 3.183 -6.702 411 H ALA 54 H ALA 54 -6.337 -1.658 -12.714 412 HA ALA 54 HA ALA 54 -7.300 0.957 -13.272 413 HB1 ALA 54 1HB ALA 54 -7.671 -1.594 -14.848 414 HB2 ALA 54 2HB ALA 54 -6.304 -0.490 -14.988 415 HB3 ALA 54 3HB ALA 54 -7.918 0.043 -15.455 416 H ARG 55 H ARG 55 -8.857 -2.166 -12.762 417 HA ARG 55 HA ARG 55 -11.560 -1.547 -13.058 418 HB2 ARG 55 2HB ARG 55 -10.445 -3.778 -12.674 419 HB3 ARG 55 1HB ARG 55 -10.361 -3.357 -10.972 420 HG2 ARG 55 2HG ARG 55 -12.247 -4.741 -11.242 421 HG3 ARG 55 1HG ARG 55 -12.839 -3.077 -11.043 422 HD2 ARG 55 2HD ARG 55 -13.160 -2.848 -13.401 423 HD3 ARG 55 1HD ARG 55 -12.438 -4.430 -13.690 424 HE ARG 55 HE ARG 55 -14.883 -4.167 -12.108 425 HH11 ARG 55 1HH1 ARG 55 -13.149 -5.544 -14.890 426 HH12 ARG 55 2HH1 ARG 55 -14.492 -6.395 -15.466 427 HH21 ARG 55 1HH2 ARG 55 -16.696 -5.396 -12.871 428 HH22 ARG 55 2HH2 ARG 55 -16.581 -6.322 -14.295 429 H LEU 56 H LEU 56 -9.527 -1.426 -10.202 430 HA LEU 56 HA LEU 56 -11.301 -0.574 -8.267 431 HB2 LEU 56 2HB LEU 56 -9.039 -1.398 -7.872 432 HB3 LEU 56 1HB LEU 56 -8.381 0.051 -8.596 433 HG LEU 56 HG LEU 56 -9.431 1.365 -6.759 434 HD11 LEU 56 1HD1 LEU 56 -11.169 -0.215 -6.146 435 HD12 LEU 56 2HD1 LEU 56 -10.147 0.178 -4.769 436 HD13 LEU 56 3HD1 LEU 56 -9.944 -1.364 -5.601 437 HD21 LEU 56 3HD2 LEU 56 -7.506 -0.788 -5.919 438 HD22 LEU 56 1HD2 LEU 56 -7.766 0.754 -5.111 439 HD23 LEU 56 2HD2 LEU 56 -7.075 0.716 -6.733 440 H SER 57 H SER 57 -9.215 1.338 -10.386 441 HA SER 57 HA SER 57 -9.855 3.852 -9.387 442 HB2 SER 57 2HB SER 57 -8.906 2.981 -12.092 443 HB3 SER 57 1HB SER 57 -8.864 4.642 -11.498 444 HG SER 57 HG SER 57 -7.306 2.424 -10.808 445 H ASN 58 H ASN 58 -11.227 2.027 -12.070 446 HA ASN 58 HA ASN 58 -13.107 3.968 -12.918 447 HB2 ASN 58 2HB ASN 58 -12.558 1.937 -14.271 448 HB3 ASN 58 1HB ASN 58 -13.414 0.949 -13.096 449 HD21 ASN 58 1HD2 ASN 58 -15.721 0.955 -13.113 450 HD22 ASN 58 2HD2 ASN 58 -16.604 1.702 -14.378 451 H LEU 59 H LEU 59 -13.278 1.466 -10.473 452 HA LEU 59 HA LEU 59 -16.012 1.725 -9.812 453 HB2 LEU 59 2HB LEU 59 -14.143 -0.054 -9.166 454 HB3 LEU 59 1HB LEU 59 -13.928 0.979 -7.783 455 HG LEU 59 HG LEU 59 -15.326 -0.948 -7.244 456 HD11 LEU 59 1HD1 LEU 59 -15.764 1.023 -5.952 457 HD12 LEU 59 2HD1 LEU 59 -17.276 0.168 -6.272 458 HD13 LEU 59 3HD1 LEU 59 -16.874 1.623 -7.184 459 HD21 LEU 59 3HD2 LEU 59 -17.538 -1.238 -8.205 460 HD22 LEU 59 1HD2 LEU 59 -16.282 -1.342 -9.437 461 HD23 LEU 59 2HD2 LEU 59 -17.261 0.120 -9.290 462 H ALA 60 H ALA 60 -13.083 3.258 -8.655 463 HA ALA 60 HA ALA 60 -14.099 4.813 -6.542 464 HB1 ALA 60 1HB ALA 60 -12.081 6.129 -6.740 465 HB2 ALA 60 2HB ALA 60 -11.850 5.547 -8.386 466 HB3 ALA 60 3HB ALA 60 -11.681 4.426 -7.037 467 H LEU 61 H LEU 61 -14.133 5.281 -9.956 468 HA LEU 61 HA LEU 61 -14.842 8.046 -9.879 469 HB2 LEU 61 2HB LEU 61 -14.945 6.014 -12.080 470 HB3 LEU 61 1HB LEU 61 -15.243 7.728 -12.319 471 HG LEU 61 HG LEU 61 -12.645 6.465 -11.440 472 HD11 LEU 61 1HD1 LEU 61 -11.828 7.180 -13.624 473 HD12 LEU 61 2HD1 LEU 61 -13.439 7.769 -14.029 474 HD13 LEU 61 3HD1 LEU 61 -13.171 6.045 -13.778 475 HD21 LEU 61 3HD2 LEU 61 -12.907 8.673 -10.446 476 HD22 LEU 61 1HD2 LEU 61 -13.319 9.349 -12.025 477 HD23 LEU 61 2HD2 LEU 61 -11.703 8.712 -11.732 478 H VAL 62 H VAL 62 -16.581 5.053 -9.794 479 HA VAL 62 HA VAL 62 -19.023 6.522 -10.311 480 HB VAL 62 HB VAL 62 -20.245 4.391 -10.421 481 HG11 VAL 62 1HG1 VAL 62 -17.776 4.465 -12.139 482 HG12 VAL 62 2HG1 VAL 62 -19.297 5.298 -12.448 483 HG13 VAL 62 3HG1 VAL 62 -19.232 3.539 -12.490 484 HG21 VAL 62 3HG2 VAL 62 -19.031 2.237 -10.442 485 HG22 VAL 62 1HG2 VAL 62 -18.926 3.034 -8.869 486 HG23 VAL 62 2HG2 VAL 62 -17.557 3.089 -9.975 487 H LYS 63 H LYS 63 -17.660 4.532 -7.708 488 HA LYS 63 HA LYS 63 -18.710 6.335 -5.893 489 HB2 LYS 63 2HB LYS 63 -19.956 4.681 -4.432 490 HB3 LYS 63 1HB LYS 63 -20.817 5.292 -5.843 491 HG2 LYS 63 2HG LYS 63 -20.460 3.161 -6.947 492 HG3 LYS 63 1HG LYS 63 -19.477 2.601 -5.584 493 HD2 LYS 63 2HD LYS 63 -21.386 2.850 -4.087 494 HD3 LYS 63 1HD LYS 63 -22.369 3.449 -5.417 495 HE2 LYS 63 2HE LYS 63 -21.056 0.772 -5.343 496 HE3 LYS 63 1HE LYS 63 -22.715 1.048 -4.802 497 HZ1 LYS 63 3HZ LYS 63 -23.243 1.832 -7.057 498 HZ2 LYS 63 1HZ LYS 63 -22.688 0.252 -7.089 499 HZ3 LYS 63 2HZ LYS 63 -21.683 1.505 -7.571 500 HA PRO 64 HA PRO 64 -14.853 4.871 -4.422 501 HB2 PRO 64 2HB PRO 64 -14.441 6.945 -2.719 502 HB3 PRO 64 1HB PRO 64 -14.162 7.043 -4.463 503 HG2 PRO 64 2HG PRO 64 -16.510 7.957 -2.860 504 HG3 PRO 64 1HG PRO 64 -15.672 8.779 -4.190 505 HD2 PRO 64 2HD PRO 64 -17.985 7.489 -4.531 506 HD3 PRO 64 1HD PRO 64 -16.740 7.544 -5.798 507 H GLU 65 H GLU 65 -17.795 5.050 -2.688 508 HA GLU 65 HA GLU 65 -16.898 4.601 -0.045 509 HB2 GLU 65 2HB GLU 65 -19.274 5.170 -0.881 510 HB3 GLU 65 1HB GLU 65 -19.431 3.463 -1.247 511 HG2 GLU 65 2HG GLU 65 -18.983 4.685 1.477 512 HG3 GLU 65 1HG GLU 65 -20.507 4.108 0.826 513 H LYS 66 H LYS 66 -17.701 2.510 -2.750 514 HA LYS 66 HA LYS 66 -17.161 0.171 -1.183 515 HB2 LYS 66 2HB LYS 66 -17.446 0.224 -4.186 516 HB3 LYS 66 1HB LYS 66 -17.688 -1.145 -3.114 517 HG2 LYS 66 2HG LYS 66 -19.479 1.228 -3.570 518 HG3 LYS 66 1HG LYS 66 -19.849 -0.479 -3.767 519 HD2 LYS 66 2HD LYS 66 -19.443 0.997 -1.156 520 HD3 LYS 66 1HD LYS 66 -20.973 0.446 -1.813 521 HE2 LYS 66 2HE LYS 66 -20.256 -1.861 -1.570 522 HE3 LYS 66 1HE LYS 66 -18.686 -1.334 -0.974 523 HZ1 LYS 66 3HZ LYS 66 -19.856 -0.221 0.881 524 HZ2 LYS 66 1HZ LYS 66 -20.094 -1.900 0.895 525 HZ3 LYS 66 2HZ LYS 66 -21.305 -0.876 0.351 526 H THR 67 H THR 67 -15.438 2.221 -3.346 527 HA THR 67 HA THR 67 -13.227 0.660 -3.995 528 HB THR 67 HB THR 67 -13.180 3.592 -3.383 529 HG1 THR 67 1HG THR 67 -14.388 2.130 -5.502 530 HG21 THR 67 3HG2 THR 67 -11.810 1.953 -5.530 531 HG22 THR 67 1HG2 THR 67 -11.061 2.479 -4.017 532 HG23 THR 67 2HG2 THR 67 -11.574 3.674 -5.195 533 H LYS 68 H LYS 68 -13.705 3.003 -1.292 534 HA LYS 68 HA LYS 68 -11.202 2.524 -0.160 535 HB2 LYS 68 2HB LYS 68 -12.032 3.588 1.903 536 HB3 LYS 68 1HB LYS 68 -12.303 4.541 0.460 537 HG2 LYS 68 2HG LYS 68 -14.645 3.923 0.477 538 HG3 LYS 68 1HG LYS 68 -14.376 2.884 1.881 539 HD2 LYS 68 2HD LYS 68 -13.771 4.746 3.237 540 HD3 LYS 68 1HD LYS 68 -13.753 5.825 1.846 541 HE2 LYS 68 2HE LYS 68 -15.753 6.202 3.106 542 HE3 LYS 68 1HE LYS 68 -16.133 5.448 1.562 543 HZ1 LYS 68 3HZ LYS 68 -15.954 3.921 4.098 544 HZ2 LYS 68 1HZ LYS 68 -16.618 3.382 2.639 545 HZ3 LYS 68 2HZ LYS 68 -17.377 4.583 3.512 546 H ALA 69 H ALA 69 -14.184 0.882 0.182 547 HA ALA 69 HA ALA 69 -13.500 -0.578 2.496 548 HB1 ALA 69 1HB ALA 69 -15.369 -2.040 1.907 549 HB2 ALA 69 2HB ALA 69 -15.434 -1.314 0.299 550 HB3 ALA 69 3HB ALA 69 -15.816 -0.342 1.719 551 H VAL 70 H VAL 70 -13.377 -1.457 -1.005 552 HA VAL 70 HA VAL 70 -12.125 -3.903 -0.434 553 HB VAL 70 HB VAL 70 -11.594 -4.124 -2.828 554 HG11 VAL 70 1HG1 VAL 70 -14.344 -3.002 -2.413 555 HG12 VAL 70 2HG1 VAL 70 -13.855 -4.644 -2.028 556 HG13 VAL 70 3HG1 VAL 70 -13.848 -4.093 -3.708 557 HG21 VAL 70 3HG2 VAL 70 -10.979 -1.825 -3.334 558 HG22 VAL 70 1HG2 VAL 70 -12.650 -1.319 -3.097 559 HG23 VAL 70 2HG2 VAL 70 -12.239 -2.395 -4.434 560 H GLU 71 H GLU 71 -10.745 -0.720 -1.144 561 HA GLU 71 HA GLU 71 -8.078 -1.603 -1.368 562 HB2 GLU 71 2HB GLU 71 -9.181 1.070 -0.501 563 HB3 GLU 71 1HB GLU 71 -7.461 0.770 -0.753 564 HG2 GLU 71 2HG GLU 71 -7.995 0.215 -3.098 565 HG3 GLU 71 1HG GLU 71 -9.677 0.635 -2.773 566 H ASN 72 H ASN 72 -9.844 -0.283 1.458 567 HA ASN 72 HA ASN 72 -7.856 -0.468 3.367 568 HB2 ASN 72 2HB ASN 72 -10.144 0.571 3.595 569 HB3 ASN 72 1HB ASN 72 -10.789 -1.052 3.793 570 HD21 ASN 72 1HD2 ASN 72 -9.130 1.522 5.205 571 HD22 ASN 72 2HD2 ASN 72 -8.956 0.865 6.796 572 H TYR 73 H TYR 73 -10.201 -2.852 2.274 573 HA TYR 73 HA TYR 73 -9.646 -4.871 4.104 574 HB2 TYR 73 2HB TYR 73 -11.641 -4.734 2.619 575 HB3 TYR 73 1HB TYR 73 -10.612 -5.158 1.262 576 HD1 TYR 73 2HD TYR 73 -10.852 -6.591 4.714 577 HD2 TYR 73 1HD TYR 73 -11.274 -7.231 0.544 578 HE1 TYR 73 2HE TYR 73 -11.366 -8.951 5.140 579 HE2 TYR 73 1HE TYR 73 -11.799 -9.602 0.952 580 HH TYR 73 HH TYR 73 -12.352 -10.808 4.188 581 H LEU 74 H LEU 74 -8.402 -4.422 0.781 582 HA LEU 74 HA LEU 74 -6.659 -6.622 0.895 583 HB2 LEU 74 2HB LEU 74 -6.780 -4.238 -0.907 584 HB3 LEU 74 1HB LEU 74 -5.347 -5.244 -0.891 585 HG LEU 74 HG LEU 74 -6.849 -5.827 -2.738 586 HD11 LEU 74 1HD1 LEU 74 -6.620 -7.982 -0.661 587 HD12 LEU 74 2HD1 LEU 74 -5.407 -7.529 -1.858 588 HD13 LEU 74 3HD1 LEU 74 -6.945 -8.222 -2.375 589 HD21 LEU 74 3HD2 LEU 74 -8.821 -6.638 -0.599 590 HD22 LEU 74 1HD2 LEU 74 -8.985 -6.946 -2.327 591 HD23 LEU 74 2HD2 LEU 74 -9.006 -5.290 -1.720 592 H ILE 75 H ILE 75 -6.074 -3.230 1.680 593 HA ILE 75 HA ILE 75 -3.331 -3.269 2.173 594 HB ILE 75 HB ILE 75 -5.535 -1.759 3.615 595 HG12 ILE 75 2HG1 ILE 75 -3.550 -0.868 1.502 596 HG13 ILE 75 1HG1 ILE 75 -5.250 -1.232 1.233 597 HG21 ILE 75 1HG2 ILE 75 -3.807 -0.241 4.504 598 HG22 ILE 75 2HG2 ILE 75 -2.557 -1.330 3.892 599 HG23 ILE 75 3HG2 ILE 75 -3.668 -1.878 5.142 600 HD11 ILE 75 3HD1 ILE 75 -5.872 0.656 2.666 601 HD12 ILE 75 1HD1 ILE 75 -4.854 1.163 1.318 602 HD13 ILE 75 2HD1 ILE 75 -4.165 1.007 2.933 603 H GLN 76 H GLN 76 -5.975 -4.060 4.383 604 HA GLN 76 HA GLN 76 -4.255 -4.760 6.558 605 HB2 GLN 76 2HB GLN 76 -7.168 -5.376 6.119 606 HB3 GLN 76 1HB GLN 76 -6.304 -5.585 7.638 607 HG2 GLN 76 2HG GLN 76 -5.902 -3.180 7.737 608 HG3 GLN 76 1HG GLN 76 -6.753 -2.975 6.209 609 HE21 GLN 76 1HE2 GLN 76 -8.779 -5.018 6.973 610 HE22 GLN 76 2HE2 GLN 76 -9.799 -4.198 8.098 611 H MET 77 H MET 77 -6.249 -6.628 4.301 612 HA MET 77 HA MET 77 -5.812 -9.144 5.417 613 HB2 MET 77 2HB MET 77 -7.614 -8.504 3.827 614 HB3 MET 77 1HB MET 77 -6.417 -8.487 2.539 615 HG2 MET 77 2HG MET 77 -6.032 -10.857 2.855 616 HG3 MET 77 1HG MET 77 -7.203 -10.889 4.175 617 HE1 MET 77 3HE MET 77 -8.543 -12.867 3.040 618 HE2 MET 77 1HE MET 77 -7.349 -12.902 1.741 619 HE3 MET 77 2HE MET 77 -9.068 -12.853 1.356 620 H ALA 78 H ALA 78 -4.022 -7.426 2.868 621 HA ALA 78 HA ALA 78 -2.290 -9.549 2.231 622 HB1 ALA 78 1HB ALA 78 -0.900 -7.870 1.181 623 HB2 ALA 78 2HB ALA 78 -1.773 -6.592 2.031 624 HB3 ALA 78 3HB ALA 78 -2.605 -7.575 0.824 625 H ARG 79 H ARG 79 -2.114 -6.997 4.668 626 HA ARG 79 HA ARG 79 0.555 -7.530 5.394 627 HB2 ARG 79 2HB ARG 79 -1.641 -5.911 6.567 628 HB3 ARG 79 1HB ARG 79 -0.182 -6.149 7.507 629 HG2 ARG 79 2HG ARG 79 1.125 -5.221 5.592 630 HG3 ARG 79 1HG ARG 79 -0.388 -4.955 4.737 631 HD2 ARG 79 2HD ARG 79 -1.102 -3.376 6.422 632 HD3 ARG 79 1HD ARG 79 0.343 -3.713 7.386 633 HE ARG 79 HE ARG 79 1.486 -2.929 5.170 634 HH11 ARG 79 1HH1 ARG 79 -1.253 -1.427 6.830 635 HH12 ARG 79 2HH1 ARG 79 -0.960 0.129 6.201 636 HH21 ARG 79 1HH2 ARG 79 1.911 -0.839 4.353 637 HH22 ARG 79 2HH2 ARG 79 0.896 0.486 4.739 638 H TYR 80 H TYR 80 -2.253 -9.211 6.085 639 HA TYR 80 HA TYR 80 -1.020 -10.460 8.409 640 HB2 TYR 80 2HB TYR 80 -3.795 -10.672 7.245 641 HB3 TYR 80 1HB TYR 80 -3.221 -11.811 8.458 642 HD1 TYR 80 1HD TYR 80 -3.736 -8.191 7.835 643 HD2 TYR 80 2HD TYR 80 -3.298 -11.255 10.736 644 HE1 TYR 80 1HE TYR 80 -4.272 -6.580 9.582 645 HE2 TYR 80 2HE TYR 80 -3.854 -9.658 12.519 646 HH TYR 80 HH TYR 80 -5.163 -6.583 11.894 647 H GLY 81 H GLY 81 -0.479 -10.693 5.334 648 HA2 GLY 81 2HA GLY 81 0.835 -12.251 4.273 649 HA3 GLY 81 1HA GLY 81 0.521 -13.383 5.579 650 H GLN 82 H GLN 82 -2.361 -12.134 4.526 651 HA GLN 82 HA GLN 82 -3.064 -14.661 3.423 652 HB2 GLN 82 2HB GLN 82 -4.664 -12.122 3.639 653 HB3 GLN 82 1HB GLN 82 -5.329 -13.656 3.081 654 HG2 GLN 82 2HG GLN 82 -4.759 -14.652 5.268 655 HG3 GLN 82 1HG GLN 82 -4.170 -13.083 5.808 656 HE21 GLN 82 1HE2 GLN 82 -5.655 -11.462 6.253 657 HE22 GLN 82 2HE2 GLN 82 -7.333 -11.757 6.423 658 H LEU 83 H LEU 83 -1.994 -11.701 2.056 659 HA LEU 83 HA LEU 83 -2.489 -12.901 -0.555 660 HB2 LEU 83 2HB LEU 83 -2.330 -9.979 0.115 661 HB3 LEU 83 1HB LEU 83 -2.010 -10.558 -1.501 662 HG LEU 83 HG LEU 83 -4.211 -9.833 -1.541 663 HD11 LEU 83 1HD1 LEU 83 -5.522 -11.813 -1.997 664 HD12 LEU 83 2HD1 LEU 83 -4.362 -12.797 -1.112 665 HD13 LEU 83 3HD1 LEU 83 -3.868 -11.994 -2.597 666 HD21 LEU 83 3HD2 LEU 83 -4.589 -9.613 0.833 667 HD22 LEU 83 1HD2 LEU 83 -4.703 -11.369 1.002 668 HD23 LEU 83 2HD2 LEU 83 -5.923 -10.487 0.074 669 H SER 84 H SER 84 -0.918 -13.877 -1.288 670 HA SER 84 HA SER 84 1.702 -12.558 -1.272 671 HB2 SER 84 2HB SER 84 1.497 -14.604 0.187 672 HB3 SER 84 1HB SER 84 1.119 -15.530 -1.250 673 HG SER 84 HG SER 84 3.094 -15.205 -2.056 674 H GLU 85 H GLU 85 -0.900 -13.040 -2.942 675 HA GLU 85 HA GLU 85 0.360 -13.689 -5.513 676 HB2 GLU 85 2HB GLU 85 -2.492 -14.255 -4.680 677 HB3 GLU 85 1HB GLU 85 -1.705 -14.728 -6.174 678 HG2 GLU 85 2HG GLU 85 -1.075 -15.797 -3.429 679 HG3 GLU 85 1HG GLU 85 -2.020 -16.621 -4.666 680 H LYS 86 H LYS 86 -0.958 -12.586 -7.296 681 HA LYS 86 HA LYS 86 -1.887 -10.006 -6.388 682 HB2 LYS 86 2HB LYS 86 -1.318 -11.168 -9.073 683 HB3 LYS 86 1HB LYS 86 -2.128 -9.632 -8.878 684 HG2 LYS 86 2HG LYS 86 -0.127 -8.801 -7.645 685 HG3 LYS 86 1HG LYS 86 0.684 -10.325 -8.037 686 HD2 LYS 86 2HD LYS 86 -0.498 -8.462 -10.092 687 HD3 LYS 86 1HD LYS 86 1.203 -8.451 -9.615 688 HE2 LYS 86 2HE LYS 86 1.562 -10.559 -10.433 689 HE3 LYS 86 1HE LYS 86 -0.152 -10.951 -10.586 690 HZ1 LYS 86 3HZ LYS 86 0.869 -10.498 -12.712 691 HZ2 LYS 86 1HZ LYS 86 1.350 -8.968 -12.222 692 HZ3 LYS 86 2HZ LYS 86 -0.302 -9.336 -12.391 693 H VAL 87 H VAL 87 -3.911 -9.442 -6.392 694 HA VAL 87 HA VAL 87 -5.938 -11.349 -7.102 695 HB VAL 87 HB VAL 87 -6.127 -8.550 -5.936 696 HG11 VAL 87 1HG1 VAL 87 -8.180 -9.208 -7.063 697 HG12 VAL 87 2HG1 VAL 87 -8.408 -9.159 -5.314 698 HG13 VAL 87 3HG1 VAL 87 -8.215 -10.706 -6.138 699 HG21 VAL 87 3HG2 VAL 87 -4.971 -10.049 -4.423 700 HG22 VAL 87 1HG2 VAL 87 -6.265 -11.238 -4.583 701 HG23 VAL 87 2HG2 VAL 87 -6.585 -9.692 -3.806 702 H SER 88 H SER 88 -6.672 -11.378 -9.087 703 HA SER 88 HA SER 88 -6.189 -9.193 -10.927 704 HB2 SER 88 2HB SER 88 -7.575 -11.854 -11.389 705 HB3 SER 88 1HB SER 88 -6.908 -10.774 -12.619 706 HG SER 88 HG SER 88 -5.616 -12.438 -10.794 707 H GLU 89 H GLU 89 -8.361 -8.953 -12.531 708 HA GLU 89 HA GLU 89 -10.145 -7.415 -11.038 709 HB2 GLU 89 2HB GLU 89 -10.422 -8.642 -13.762 710 HB3 GLU 89 1HB GLU 89 -11.642 -7.583 -13.068 711 HG2 GLU 89 2HG GLU 89 -10.000 -5.806 -12.940 712 HG3 GLU 89 1HG GLU 89 -8.785 -6.898 -13.608 713 H GLN 90 H GLN 90 -10.553 -10.666 -12.331 714 HA GLN 90 HA GLN 90 -13.161 -11.095 -11.431 715 HB2 GLN 90 2HB GLN 90 -12.048 -12.500 -13.095 716 HB3 GLN 90 1HB GLN 90 -10.949 -13.102 -11.866 717 HG2 GLN 90 2HG GLN 90 -12.782 -14.188 -10.717 718 HG3 GLN 90 1HG GLN 90 -13.929 -13.508 -11.871 719 HE21 GLN 90 1HE2 GLN 90 -14.036 -14.350 -13.921 720 HE22 GLN 90 2HE2 GLN 90 -13.288 -15.842 -14.355 721 H GLY 91 H GLY 91 -10.105 -11.444 -9.774 722 HA2 GLY 91 2HA GLY 91 -11.194 -12.751 -7.472 723 HA3 GLY 91 1HA GLY 91 -9.596 -12.024 -7.601 724 H LEU 92 H LEU 92 -10.530 -9.426 -8.418 725 HA LEU 92 HA LEU 92 -11.069 -8.361 -5.831 726 HB2 LEU 92 2HB LEU 92 -9.675 -7.191 -7.534 727 HB3 LEU 92 1HB LEU 92 -11.124 -6.919 -8.483 728 HG LEU 92 HG LEU 92 -12.054 -5.656 -6.501 729 HD11 LEU 92 1HD1 LEU 92 -9.237 -5.855 -5.514 730 HD12 LEU 92 2HD1 LEU 92 -10.686 -6.514 -4.753 731 HD13 LEU 92 3HD1 LEU 92 -10.472 -4.769 -4.877 732 HD21 LEU 92 3HD2 LEU 92 -11.172 -4.498 -8.472 733 HD22 LEU 92 1HD2 LEU 92 -9.546 -4.565 -7.791 734 HD23 LEU 92 2HD2 LEU 92 -10.796 -3.606 -6.998 735 H ILE 93 H ILE 93 -12.954 -9.133 -8.620 736 HA ILE 93 HA ILE 93 -15.311 -7.765 -7.895 737 HB ILE 93 HB ILE 93 -14.938 -10.277 -9.586 738 HG12 ILE 93 2HG1 ILE 93 -15.496 -7.427 -10.436 739 HG13 ILE 93 1HG1 ILE 93 -13.886 -8.127 -10.365 740 HG21 ILE 93 1HG2 ILE 93 -17.410 -8.553 -9.318 741 HG22 ILE 93 2HG2 ILE 93 -17.237 -10.208 -8.735 742 HG23 ILE 93 3HG2 ILE 93 -17.202 -9.877 -10.468 743 HD11 ILE 93 3HD1 ILE 93 -14.522 -9.748 -12.075 744 HD12 ILE 93 1HD1 ILE 93 -14.752 -8.093 -12.626 745 HD13 ILE 93 2HD1 ILE 93 -16.145 -9.063 -12.126 746 H GLU 94 H GLU 94 -13.941 -10.831 -6.898 747 HA GLU 94 HA GLU 94 -16.119 -11.875 -5.434 748 HB2 GLU 94 2HB GLU 94 -13.171 -12.080 -4.755 749 HB3 GLU 94 1HB GLU 94 -14.441 -13.152 -4.197 750 HG2 GLU 94 2HG GLU 94 -13.586 -12.844 -7.065 751 HG3 GLU 94 1HG GLU 94 -13.035 -14.117 -5.982 752 H ILE 95 H ILE 95 -13.521 -9.672 -4.689 753 HA ILE 95 HA ILE 95 -14.075 -9.267 -1.931 754 HB ILE 95 HB ILE 95 -12.659 -7.326 -3.779 755 HG12 ILE 95 2HG1 ILE 95 -11.658 -9.568 -4.058 756 HG13 ILE 95 1HG1 ILE 95 -10.556 -8.465 -3.249 757 HG21 ILE 95 1HG2 ILE 95 -13.169 -6.438 -1.602 758 HG22 ILE 95 2HG2 ILE 95 -11.427 -6.712 -1.740 759 HG23 ILE 95 3HG2 ILE 95 -12.450 -7.854 -0.850 760 HD11 ILE 95 3HD1 ILE 95 -11.105 -9.488 -1.125 761 HD12 ILE 95 1HD1 ILE 95 -10.490 -10.674 -2.284 762 HD13 ILE 95 2HD1 ILE 95 -12.226 -10.591 -1.943 763 H LEU 96 H LEU 96 -14.920 -7.603 -4.894 764 HA LEU 96 HA LEU 96 -16.154 -5.383 -3.750 765 HB2 LEU 96 2HB LEU 96 -15.408 -5.653 -6.138 766 HB3 LEU 96 1HB LEU 96 -16.843 -6.625 -6.401 767 HG LEU 96 HG LEU 96 -18.232 -4.671 -5.751 768 HD11 LEU 96 1HD1 LEU 96 -15.584 -3.232 -5.792 769 HD12 LEU 96 2HD1 LEU 96 -16.607 -3.463 -4.381 770 HD13 LEU 96 3HD1 LEU 96 -17.157 -2.447 -5.716 771 HD21 LEU 96 3HD2 LEU 96 -17.793 -5.194 -8.097 772 HD22 LEU 96 1HD2 LEU 96 -16.322 -4.222 -8.046 773 HD23 LEU 96 2HD2 LEU 96 -17.897 -3.454 -7.843 774 H LYS 97 H LYS 97 -17.445 -8.517 -4.805 775 HA LYS 97 HA LYS 97 -20.139 -7.978 -4.182 776 HB2 LYS 97 2HB LYS 97 -18.638 -10.593 -4.271 777 HB3 LYS 97 1HB LYS 97 -20.369 -10.484 -3.997 778 HG2 LYS 97 2HG LYS 97 -20.701 -9.497 -6.174 779 HG3 LYS 97 1HG LYS 97 -18.959 -9.500 -6.465 780 HD2 LYS 97 2HD LYS 97 -20.595 -11.990 -5.937 781 HD3 LYS 97 1HD LYS 97 -20.192 -11.405 -7.550 782 HE2 LYS 97 2HE LYS 97 -17.791 -11.588 -6.977 783 HE3 LYS 97 1HE LYS 97 -18.242 -12.219 -5.401 784 HZ1 LYS 97 3HZ LYS 97 -18.949 -13.534 -7.965 785 HZ2 LYS 97 1HZ LYS 97 -19.128 -14.171 -6.407 786 HZ3 LYS 97 2HZ LYS 97 -17.593 -13.885 -7.045 787 H LYS 98 H LYS 98 -17.486 -9.176 -2.241 788 HA LYS 98 HA LYS 98 -18.779 -9.827 0.139 789 HB2 LYS 98 2HB LYS 98 -16.101 -8.637 -0.437 790 HB3 LYS 98 1HB LYS 98 -16.599 -8.909 1.207 791 HG2 LYS 98 2HG LYS 98 -16.796 -11.335 0.661 792 HG3 LYS 98 1HG LYS 98 -16.197 -10.968 -0.962 793 HD2 LYS 98 2HD LYS 98 -14.111 -10.102 -0.041 794 HD3 LYS 98 1HD LYS 98 -14.709 -10.344 1.596 795 HE2 LYS 98 2HE LYS 98 -14.809 -12.737 1.218 796 HE3 LYS 98 1HE LYS 98 -14.240 -12.500 -0.439 797 HZ1 LYS 98 3HZ LYS 98 -12.529 -13.216 1.166 798 HZ2 LYS 98 1HZ LYS 98 -12.601 -11.746 1.971 799 HZ3 LYS 98 2HZ LYS 98 -12.095 -11.856 0.349 800 H VAL 99 H VAL 99 -17.292 -6.750 -0.753 801 HA VAL 99 HA VAL 99 -18.137 -5.476 1.626 802 HB VAL 99 HB VAL 99 -17.103 -3.468 0.820 803 HG11 VAL 99 1HG1 VAL 99 -15.605 -5.149 1.679 804 HG12 VAL 99 2HG1 VAL 99 -14.818 -4.287 0.358 805 HG13 VAL 99 3HG1 VAL 99 -15.482 -5.900 0.095 806 HG21 VAL 99 3HG2 VAL 99 -16.157 -3.272 -1.435 807 HG22 VAL 99 1HG2 VAL 99 -17.908 -3.480 -1.486 808 HG23 VAL 99 2HG2 VAL 99 -16.853 -4.843 -1.853 809 H SER 100 H SER 100 -19.699 -5.856 -1.440 810 HA SER 100 HA SER 100 -21.267 -3.494 -1.091 811 HB2 SER 100 2HB SER 100 -22.436 -4.378 -3.156 812 HB3 SER 100 1HB SER 100 -20.733 -3.944 -3.335 813 HG SER 100 HG SER 100 -20.190 -6.009 -3.411 814 H GLN 101 H GLN 101 -21.567 -6.769 -0.148 815 HA GLN 101 HA GLN 101 -24.353 -6.153 0.468 816 HB2 GLN 101 2HB GLN 101 -24.702 -8.554 0.902 817 HB3 GLN 101 1HB GLN 101 -24.239 -8.196 -0.758 818 HG2 GLN 101 2HG GLN 101 -21.927 -8.908 -0.158 819 HG3 GLN 101 1HG GLN 101 -22.552 -9.409 1.419 820 HE21 GLN 101 1HE2 GLN 101 -23.985 -11.144 1.519 821 HE22 GLN 101 2HE2 GLN 101 -24.160 -12.264 0.236 822 H GLN 102 H GLN 102 -21.358 -7.127 1.999 823 HA GLN 102 HA GLN 102 -22.589 -6.309 4.490 824 HB2 GLN 102 2HB GLN 102 -20.922 -8.812 4.100 825 HB3 GLN 102 1HB GLN 102 -21.250 -8.123 5.682 826 HG2 GLN 102 2HG GLN 102 -23.617 -8.502 5.406 827 HG3 GLN 102 1HG GLN 102 -23.366 -9.044 3.750 828 HE21 GLN 102 1HE2 GLN 102 -24.326 -11.031 4.181 829 HE22 GLN 102 2HE2 GLN 102 -23.556 -12.240 5.120 830 H THR 103 H THR 103 -19.414 -7.654 4.186 831 HA THR 103 HA THR 103 -17.999 -5.267 3.680 832 HB THR 103 HB THR 103 -17.837 -6.502 6.468 833 HG1 THR 103 1HG THR 103 -19.334 -4.621 5.681 834 HG21 THR 103 3HG2 THR 103 -15.573 -6.042 5.579 835 HG22 THR 103 1HG2 THR 103 -15.975 -4.947 6.903 836 HG23 THR 103 2HG2 THR 103 -16.052 -4.383 5.235 837 H GLU 104 H GLU 104 -17.713 -8.402 5.293 838 HA GLU 104 HA GLU 104 -16.481 -9.415 2.942 839 HB2 GLU 104 2HB GLU 104 -14.550 -10.361 4.048 840 HB3 GLU 104 1HB GLU 104 -14.519 -8.612 4.191 841 HG2 GLU 104 2HG GLU 104 -15.120 -8.717 6.475 842 HG3 GLU 104 1HG GLU 104 -15.505 -10.439 6.350 843 H LYS 105 H LYS 105 -16.188 -11.789 3.164 844 HA LYS 105 HA LYS 105 -17.956 -12.951 5.123 845 HB2 LYS 105 2HB LYS 105 -18.193 -13.549 2.170 846 HB3 LYS 105 1HB LYS 105 -19.149 -14.250 3.462 847 HG2 LYS 105 2HG LYS 105 -20.111 -11.967 3.857 848 HG3 LYS 105 1HG LYS 105 -19.269 -11.436 2.401 849 HD2 LYS 105 2HD LYS 105 -21.381 -13.578 2.600 850 HD3 LYS 105 1HD LYS 105 -21.555 -12.002 1.829 851 HE2 LYS 105 2HE LYS 105 -19.787 -12.684 0.214 852 HE3 LYS 105 1HE LYS 105 -19.762 -14.268 0.967 853 HZ1 LYS 105 3HZ LYS 105 -22.154 -14.489 0.393 854 HZ2 LYS 105 1HZ LYS 105 -21.162 -14.349 -0.958 855 HZ3 LYS 105 2HZ LYS 105 -22.051 -13.036 -0.451 856 H THR 106 H THR 106 -17.253 -14.967 5.600 857 HA THR 106 HA THR 106 -14.812 -15.774 4.317 858 HB THR 106 HB THR 106 -14.703 -15.916 6.697 859 HG1 THR 106 1HG THR 106 -13.946 -17.829 5.433 860 HG21 THR 106 3HG2 THR 106 -17.249 -17.541 6.645 861 HG22 THR 106 1HG2 THR 106 -17.046 -15.914 7.294 862 HG23 THR 106 2HG2 THR 106 -16.259 -17.284 8.084 863 H THR 107 H THR 107 -15.185 -16.577 2.401 864 HA THR 107 HA THR 107 -17.442 -17.767 1.423 865 HB THR 107 HB THR 107 -14.598 -18.286 0.513 866 HG1 THR 107 1HG THR 107 -14.568 -16.288 -0.159 867 HG21 THR 107 3HG2 THR 107 -16.332 -19.661 -0.598 868 HG22 THR 107 1HG2 THR 107 -15.638 -18.485 -1.714 869 HG23 THR 107 2HG2 THR 107 -17.226 -18.199 -1.005 870 H THR 108 H THR 108 -18.367 -19.631 1.887 871 HA THR 108 HA THR 108 -16.685 -21.886 2.672 872 HB THR 108 HB THR 108 -19.478 -21.365 3.716 873 HG1 THR 108 1HG THR 108 -17.430 -19.958 4.242 874 HG21 THR 108 3HG2 THR 108 -17.242 -23.178 4.673 875 HG22 THR 108 1HG2 THR 108 -18.672 -23.710 3.789 876 HG23 THR 108 2HG2 THR 108 -18.839 -23.031 5.407 877 H VAL 109 H VAL 109 -16.717 -22.414 0.462 878 HA VAL 109 HA VAL 109 -19.286 -23.499 -0.457 879 HB VAL 109 HB VAL 109 -18.437 -21.662 -1.883 880 HG11 VAL 109 1HG1 VAL 109 -16.042 -23.405 -2.374 881 HG12 VAL 109 2HG1 VAL 109 -16.079 -21.844 -1.553 882 HG13 VAL 109 3HG1 VAL 109 -16.438 -21.942 -3.276 883 HG21 VAL 109 3HG2 VAL 109 -18.358 -24.344 -3.262 884 HG22 VAL 109 1HG2 VAL 109 -18.568 -22.791 -4.070 885 HG23 VAL 109 2HG2 VAL 109 -19.796 -23.373 -2.947 886 H LYS 110 H LYS 110 -16.076 -24.125 0.442 887 HA LYS 110 HA LYS 110 -14.745 -25.886 0.564 888 HB2 LYS 110 2HB LYS 110 -16.654 -26.916 1.769 889 HB3 LYS 110 1HB LYS 110 -17.310 -27.492 0.252 890 HG2 LYS 110 2HG LYS 110 -15.379 -28.965 -0.031 891 HG3 LYS 110 1HG LYS 110 -14.702 -28.366 1.487 892 HD2 LYS 110 2HD LYS 110 -16.641 -29.212 2.699 893 HD3 LYS 110 1HD LYS 110 -17.358 -29.766 1.188 894 HE2 LYS 110 2HE LYS 110 -15.515 -31.318 0.864 895 HE3 LYS 110 1HE LYS 110 -14.744 -30.731 2.339 896 HZ1 LYS 110 3HZ LYS 110 -17.385 -32.077 2.198 897 HZ2 LYS 110 1HZ LYS 110 -16.617 -31.549 3.608 898 HZ3 LYS 110 2HZ LYS 110 -15.947 -32.791 2.698 899 H PHE 111 H PHE 111 -13.946 -25.021 -1.396 900 HA PHE 111 HA PHE 111 -13.902 -26.953 -3.537 901 HB2 PHE 111 2HB PHE 111 -15.763 -25.317 -4.056 902 HB3 PHE 111 1HB PHE 111 -14.585 -24.021 -3.964 903 HD1 PHE 111 1HD PHE 111 -15.591 -27.024 -5.855 904 HD2 PHE 111 2HD PHE 111 -13.221 -23.489 -5.823 905 HE1 PHE 111 1HE PHE 111 -15.154 -27.295 -8.257 906 HE2 PHE 111 2HE PHE 111 -12.781 -23.764 -8.226 907 HZ PHE 111 HZ PHE 111 -13.743 -25.662 -9.442 908 H ASN 112 H ASN 112 -11.890 -26.722 -4.660 909 HA ASN 112 HA ASN 112 -10.041 -25.012 -3.195 910 HB2 ASN 112 2HB ASN 112 -9.576 -27.708 -4.463 911 HB3 ASN 112 1HB ASN 112 -8.273 -26.667 -3.893 912 HD21 ASN 112 1HD2 ASN 112 -8.017 -26.350 -1.709 913 HD22 ASN 112 2HD2 ASN 112 -8.774 -27.340 -0.520 Start of MODEL 4 1 H1 GLY 0 1HT GLY 0 3.136 40.662 3.211 2 H2 GLY 0 2HT GLY 0 3.164 41.362 4.766 3 H3 GLY 0 3HT GLY 0 3.174 39.671 4.558 4 HA2 GLY 0 1HA GLY 0 5.294 39.635 3.663 5 HA3 GLY 0 2HA GLY 0 5.330 41.386 3.541 6 H SER 1 H SER 1 4.337 39.253 6.242 7 HA SER 1 HA SER 1 5.769 40.850 8.114 8 HB2 SER 1 2HB SER 1 4.798 38.023 8.572 9 HB3 SER 1 1HB SER 1 4.854 39.368 9.707 10 HG SER 1 HG SER 1 2.873 38.664 7.977 11 H ALA 2 H ALA 2 7.665 40.064 9.306 12 HA ALA 2 HA ALA 2 9.745 39.165 7.709 13 HB1 ALA 2 1HB ALA 2 10.049 40.466 9.764 14 HB2 ALA 2 2HB ALA 2 11.075 39.030 9.734 15 HB3 ALA 2 3HB ALA 2 9.610 39.048 10.713 16 H ASP 3 H ASP 3 8.028 37.284 10.174 17 HA ASP 3 HA ASP 3 9.416 34.859 9.748 18 HB2 ASP 3 2HB ASP 3 6.641 35.365 10.838 19 HB3 ASP 3 1HB ASP 3 7.433 33.803 10.840 20 H GLU 4 H GLU 4 6.588 36.248 8.486 21 HA GLU 4 HA GLU 4 5.436 34.122 7.076 22 HB2 GLU 4 2HB GLU 4 4.334 36.157 7.765 23 HB3 GLU 4 1HB GLU 4 5.349 37.092 6.687 24 HG2 GLU 4 2HG GLU 4 4.303 35.886 4.805 25 HG3 GLU 4 1HG GLU 4 3.192 35.148 5.969 26 H GLU 5 H GLU 5 7.467 36.851 5.965 27 HA GLU 5 HA GLU 5 7.611 35.908 3.323 28 HB2 GLU 5 2HB GLU 5 9.314 37.654 2.943 29 HB3 GLU 5 1HB GLU 5 7.921 38.286 3.800 30 HG2 GLU 5 2HG GLU 5 9.147 38.262 5.883 31 HG3 GLU 5 1HG GLU 5 10.537 37.538 5.085 32 H LEU 6 H LEU 6 9.698 35.517 6.128 33 HA LEU 6 HA LEU 6 11.876 34.411 4.772 34 HB2 LEU 6 2HB LEU 6 11.893 35.295 7.100 35 HB3 LEU 6 1HB LEU 6 11.012 33.879 7.613 36 HG LEU 6 HG LEU 6 12.931 32.459 7.002 37 HD11 LEU 6 1HD1 LEU 6 14.281 35.078 6.348 38 HD12 LEU 6 2HD1 LEU 6 13.854 33.806 5.201 39 HD13 LEU 6 3HD1 LEU 6 15.074 33.507 6.435 40 HD21 LEU 6 3HD2 LEU 6 13.632 34.778 8.797 41 HD22 LEU 6 1HD2 LEU 6 14.454 33.219 8.766 42 HD23 LEU 6 2HD2 LEU 6 12.768 33.317 9.274 43 H GLU 7 H GLU 7 9.005 32.882 6.175 44 HA GLU 7 HA GLU 7 9.720 30.195 5.731 45 HB2 GLU 7 2HB GLU 7 7.698 31.055 7.062 46 HB3 GLU 7 1HB GLU 7 6.928 31.304 5.499 47 HG2 GLU 7 2HG GLU 7 7.148 28.912 5.015 48 HG3 GLU 7 1HG GLU 7 7.851 28.668 6.611 49 H ALA 8 H ALA 8 8.028 32.542 3.750 50 HA ALA 8 HA ALA 8 7.479 30.854 1.553 51 HB1 ALA 8 1HB ALA 8 7.724 33.862 1.620 52 HB2 ALA 8 2HB ALA 8 6.255 32.945 1.954 53 HB3 ALA 8 3HB ALA 8 6.974 32.910 0.341 54 H LEU 9 H LEU 9 10.118 33.111 2.264 55 HA LEU 9 HA LEU 9 11.461 32.925 -0.155 56 HB2 LEU 9 2HB LEU 9 12.503 33.480 2.605 57 HB3 LEU 9 1HB LEU 9 13.441 33.671 1.147 58 HG LEU 9 HG LEU 9 10.997 35.246 1.947 59 HD11 LEU 9 1HD1 LEU 9 13.874 36.049 1.652 60 HD12 LEU 9 2HD1 LEU 9 12.979 35.862 3.163 61 HD13 LEU 9 3HD1 LEU 9 12.532 37.131 2.023 62 HD21 LEU 9 3HD2 LEU 9 12.671 35.495 -0.553 63 HD22 LEU 9 1HD2 LEU 9 11.392 36.601 -0.056 64 HD23 LEU 9 2HD2 LEU 9 10.998 34.937 -0.474 65 H ARG 10 H ARG 10 11.838 31.018 2.812 66 HA ARG 10 HA ARG 10 13.991 29.452 1.956 67 HB2 ARG 10 2HB ARG 10 13.132 29.427 4.266 68 HB3 ARG 10 1HB ARG 10 11.691 28.584 3.715 69 HG2 ARG 10 2HG ARG 10 13.057 26.680 3.020 70 HG3 ARG 10 1HG ARG 10 14.508 27.524 3.564 71 HD2 ARG 10 2HD ARG 10 13.588 27.595 5.830 72 HD3 ARG 10 1HD ARG 10 12.181 26.685 5.278 73 HE ARG 10 HE ARG 10 14.041 25.019 4.561 74 HH11 ARG 10 1HH1 ARG 10 13.847 26.887 7.595 75 HH12 ARG 10 2HH1 ARG 10 14.796 25.804 8.471 76 HH21 ARG 10 1HH2 ARG 10 15.328 23.487 5.853 77 HH22 ARG 10 2HH2 ARG 10 15.623 23.842 7.473 78 H ARG 11 H ARG 11 10.550 28.984 1.530 79 HA ARG 11 HA ARG 11 10.676 26.530 0.129 80 HB2 ARG 11 2HB ARG 11 8.601 28.712 0.182 81 HB3 ARG 11 1HB ARG 11 8.395 27.226 -0.728 82 HG2 ARG 11 2HG ARG 11 8.457 25.927 1.298 83 HG3 ARG 11 1HG ARG 11 8.832 27.370 2.244 84 HD2 ARG 11 2HD ARG 11 6.714 28.304 1.873 85 HD3 ARG 11 1HD ARG 11 6.347 27.174 0.563 86 HE ARG 11 HE ARG 11 6.778 25.772 2.951 87 HH11 ARG 11 1HH1 ARG 11 4.345 27.930 1.478 88 HH12 ARG 11 2HH1 ARG 11 3.043 27.178 2.292 89 HH21 ARG 11 1HH2 ARG 11 4.987 24.793 4.009 90 HH22 ARG 11 2HH2 ARG 11 3.408 25.432 3.794 91 H GLN 12 H GLN 12 10.678 29.886 -0.944 92 HA GLN 12 HA GLN 12 10.570 29.384 -3.703 93 HB2 GLN 12 2HB GLN 12 10.142 31.592 -2.659 94 HB3 GLN 12 1HB GLN 12 11.853 31.711 -2.274 95 HG2 GLN 12 2HG GLN 12 12.379 31.602 -4.677 96 HG3 GLN 12 1HG GLN 12 10.654 31.570 -5.025 97 HE21 GLN 12 1HE2 GLN 12 12.222 33.492 -2.538 98 HE22 GLN 12 2HE2 GLN 12 11.849 35.014 -3.231 99 H ARG 13 H ARG 13 13.253 29.954 -1.478 100 HA ARG 13 HA ARG 13 15.385 29.884 -3.224 101 HB2 ARG 13 2HB ARG 13 15.405 30.448 -0.767 102 HB3 ARG 13 1HB ARG 13 15.375 28.723 -0.436 103 HG2 ARG 13 2HG ARG 13 17.604 28.923 -0.393 104 HG3 ARG 13 1HG ARG 13 17.467 28.888 -2.148 105 HD2 ARG 13 2HD ARG 13 17.654 31.330 -0.385 106 HD3 ARG 13 1HD ARG 13 18.874 30.721 -1.493 107 HE ARG 13 HE ARG 13 16.429 31.398 -2.841 108 HH11 ARG 13 1HH1 ARG 13 19.470 32.760 -1.599 109 HH12 ARG 13 2HH1 ARG 13 19.350 34.180 -2.525 110 HH21 ARG 13 1HH2 ARG 13 16.277 33.255 -4.071 111 HH22 ARG 13 2HH2 ARG 13 17.482 34.497 -3.988 112 H LEU 14 H LEU 14 13.633 27.227 -1.671 113 HA LEU 14 HA LEU 14 15.324 25.127 -2.497 114 HB2 LEU 14 2HB LEU 14 13.714 24.860 -0.689 115 HB3 LEU 14 1HB LEU 14 12.386 25.130 -1.790 116 HG LEU 14 HG LEU 14 12.888 23.001 -2.923 117 HD11 LEU 14 1HD1 LEU 14 14.985 22.657 -0.788 118 HD12 LEU 14 2HD1 LEU 14 15.285 22.901 -2.511 119 HD13 LEU 14 3HD1 LEU 14 14.482 21.430 -1.953 120 HD21 LEU 14 3HD2 LEU 14 11.281 23.042 -1.089 121 HD22 LEU 14 1HD2 LEU 14 12.577 22.763 0.069 122 HD23 LEU 14 2HD2 LEU 14 12.165 21.518 -1.110 123 H ALA 15 H ALA 15 12.683 26.789 -4.068 124 HA ALA 15 HA ALA 15 12.492 24.905 -6.193 125 HB1 ALA 15 1HB ALA 15 11.360 27.691 -5.973 126 HB2 ALA 15 2HB ALA 15 10.539 26.205 -5.502 127 HB3 ALA 15 3HB ALA 15 10.922 26.500 -7.199 128 H GLU 16 H GLU 16 13.930 28.080 -5.687 129 HA GLU 16 HA GLU 16 14.895 28.583 -8.284 130 HB2 GLU 16 2HB GLU 16 16.165 29.394 -5.681 131 HB3 GLU 16 1HB GLU 16 16.444 30.126 -7.250 132 HG2 GLU 16 2HG GLU 16 14.056 30.698 -7.293 133 HG3 GLU 16 1HG GLU 16 13.948 30.181 -5.617 134 H LEU 17 H LEU 17 16.227 27.030 -5.545 135 HA LEU 17 HA LEU 17 18.831 26.420 -6.359 136 HB2 LEU 17 2HB LEU 17 17.900 26.097 -4.060 137 HB3 LEU 17 1HB LEU 17 16.972 24.753 -4.638 138 HG LEU 17 HG LEU 17 19.009 24.211 -3.232 139 HD11 LEU 17 1HD1 LEU 17 19.705 22.278 -4.542 140 HD12 LEU 17 2HD1 LEU 17 18.857 22.941 -5.942 141 HD13 LEU 17 3HD1 LEU 17 17.953 22.479 -4.499 142 HD21 LEU 17 3HD2 LEU 17 21.184 24.164 -4.341 143 HD22 LEU 17 1HD2 LEU 17 20.560 25.805 -4.182 144 HD23 LEU 17 2HD2 LEU 17 20.484 24.976 -5.740 145 H GLN 18 H GLN 18 15.793 24.925 -7.139 146 HA GLN 18 HA GLN 18 15.118 23.230 -8.391 147 HB2 GLN 18 2HB GLN 18 17.645 23.780 -9.984 148 HB3 GLN 18 1HB GLN 18 16.284 22.828 -10.544 149 HG2 GLN 18 2HG GLN 18 14.841 24.801 -10.464 150 HG3 GLN 18 1HG GLN 18 16.179 25.759 -9.846 151 HE21 GLN 18 1HE2 GLN 18 14.590 26.088 -12.256 152 HE22 GLN 18 2HE2 GLN 18 15.678 26.066 -13.579 153 H ALA 19 H ALA 19 15.344 21.955 -6.667 154 HA ALA 19 HA ALA 19 17.557 20.590 -5.800 155 HB1 ALA 19 1HB ALA 19 15.342 20.852 -4.645 156 HB2 ALA 19 2HB ALA 19 16.121 19.307 -4.479 157 HB3 ALA 19 3HB ALA 19 14.759 19.485 -5.605 158 H LYS 20 H LYS 20 18.750 19.243 -6.718 159 HA LYS 20 HA LYS 20 17.918 17.763 -9.072 160 HB2 LYS 20 2HB LYS 20 20.380 17.345 -9.273 161 HB3 LYS 20 1HB LYS 20 19.938 19.044 -9.293 162 HG2 LYS 20 2HG LYS 20 20.548 19.185 -6.880 163 HG3 LYS 20 1HG LYS 20 21.095 17.507 -6.971 164 HD2 LYS 20 2HD LYS 20 22.766 18.124 -8.612 165 HD3 LYS 20 1HD LYS 20 22.172 19.782 -8.617 166 HE2 LYS 20 2HE LYS 20 23.379 18.365 -6.237 167 HE3 LYS 20 1HE LYS 20 24.215 19.521 -7.260 168 HZ1 LYS 20 3HZ LYS 20 22.424 21.174 -6.555 169 HZ2 LYS 20 1HZ LYS 20 23.514 20.697 -5.379 170 HZ3 LYS 20 2HZ LYS 20 21.983 20.081 -5.341 171 H HIS 21 H HIS 21 18.143 15.518 -9.189 172 HA HIS 21 HA HIS 21 17.946 14.197 -6.684 173 HB2 HIS 21 2HB HIS 21 17.801 12.020 -8.007 174 HB3 HIS 21 1HB HIS 21 16.563 13.207 -8.364 175 HD1 HIS 21 1HD HIS 21 16.429 14.064 -10.738 176 HD2 HIS 21 2HD HIS 21 19.669 11.563 -10.077 177 HE1 HIS 21 1HE HIS 21 17.346 13.537 -13.005 178 HE2 HIS 21 2HE HIS 21 19.219 11.921 -12.591 179 H GLY 22 H GLY 22 19.647 14.804 -5.776 180 HA2 GLY 22 2HA GLY 22 21.638 13.163 -5.076 181 HA3 GLY 22 1HA GLY 22 22.319 13.992 -6.488 182 H ASP 23 H ASP 23 20.115 15.032 -3.947 183 HA ASP 23 HA ASP 23 21.910 17.114 -3.025 184 HB2 ASP 23 2HB ASP 23 20.644 18.032 -5.012 185 HB3 ASP 23 1HB ASP 23 19.153 17.711 -4.142 186 HA PRO 24 HA PRO 24 19.873 15.730 0.722 187 HB2 PRO 24 2HB PRO 24 20.266 18.554 1.586 188 HB3 PRO 24 1HB PRO 24 20.725 17.062 2.410 189 HG2 PRO 24 2HG PRO 24 22.570 18.537 1.218 190 HG3 PRO 24 1HG PRO 24 22.618 16.769 1.104 191 HD2 PRO 24 2HD PRO 24 21.742 18.770 -0.942 192 HD3 PRO 24 1HD PRO 24 22.657 17.259 -1.143 193 H GLY 25 H GLY 25 18.928 18.754 -0.868 194 HA2 GLY 25 2HA GLY 25 16.499 19.017 0.637 195 HA3 GLY 25 1HA GLY 25 16.988 19.987 -0.749 196 H ASP 26 H ASP 26 17.443 17.234 -2.051 197 HA ASP 26 HA ASP 26 14.654 16.925 -2.925 198 HB2 ASP 26 2HB ASP 26 16.021 17.454 -4.826 199 HB3 ASP 26 1HB ASP 26 17.230 16.265 -4.356 200 H ALA 27 H ALA 27 17.502 14.929 -2.531 201 HA ALA 27 HA ALA 27 16.191 12.502 -2.816 202 HB1 ALA 27 1HB ALA 27 18.254 11.503 -2.078 203 HB2 ALA 27 2HB ALA 27 18.765 13.043 -1.377 204 HB3 ALA 27 3HB ALA 27 18.592 12.888 -3.121 205 H ALA 28 H ALA 28 16.906 14.322 0.100 206 HA ALA 28 HA ALA 28 16.258 12.169 1.842 207 HB1 ALA 28 1HB ALA 28 16.400 15.108 2.511 208 HB2 ALA 28 2HB ALA 28 17.770 14.005 2.507 209 HB3 ALA 28 3HB ALA 28 16.458 13.770 3.664 210 H GLN 29 H GLN 29 14.609 15.051 0.756 211 HA GLN 29 HA GLN 29 12.263 14.652 2.287 212 HB2 GLN 29 2HB GLN 29 12.671 16.297 -0.213 213 HB3 GLN 29 1HB GLN 29 11.297 16.418 0.877 214 HG2 GLN 29 2HG GLN 29 14.157 17.030 1.594 215 HG3 GLN 29 1HG GLN 29 12.925 18.222 1.202 216 HE21 GLN 29 1HE2 GLN 29 14.075 15.950 3.606 217 HE22 GLN 29 2HE2 GLN 29 13.108 16.555 4.878 218 H GLN 30 H GLN 30 13.306 13.783 -0.945 219 HA GLN 30 HA GLN 30 10.813 12.932 -1.899 220 HB2 GLN 30 2HB GLN 30 12.699 13.416 -3.426 221 HB3 GLN 30 1HB GLN 30 13.574 12.042 -2.778 222 HG2 GLN 30 2HG GLN 30 12.717 11.304 -4.826 223 HG3 GLN 30 1HG GLN 30 11.652 10.610 -3.613 224 HE21 GLN 30 1HE2 GLN 30 10.201 13.293 -3.300 225 HE22 GLN 30 2HE2 GLN 30 9.238 13.398 -4.701 226 H GLU 31 H GLU 31 13.397 11.262 -0.181 227 HA GLU 31 HA GLU 31 12.394 8.666 -0.404 228 HB2 GLU 31 2HB GLU 31 14.607 9.106 0.556 229 HB3 GLU 31 1HB GLU 31 13.865 9.922 1.926 230 HG2 GLU 31 2HG GLU 31 12.723 7.769 2.482 231 HG3 GLU 31 1HG GLU 31 13.689 7.000 1.225 232 H ALA 32 H ALA 32 11.848 11.043 2.153 233 HA ALA 32 HA ALA 32 10.107 9.507 3.702 234 HB1 ALA 32 1HB ALA 32 10.174 12.512 3.436 235 HB2 ALA 32 2HB ALA 32 11.199 11.551 4.501 236 HB3 ALA 32 3HB ALA 32 9.453 11.601 4.765 237 H LYS 33 H LYS 33 9.438 11.724 1.068 238 HA LYS 33 HA LYS 33 6.592 11.564 1.296 239 HB2 LYS 33 2HB LYS 33 7.990 13.423 0.236 240 HB3 LYS 33 1HB LYS 33 8.170 12.350 -1.145 241 HG2 LYS 33 2HG LYS 33 6.394 13.848 -1.637 242 HG3 LYS 33 1HG LYS 33 5.708 12.245 -1.265 243 HD2 LYS 33 2HD LYS 33 5.108 12.930 0.953 244 HD3 LYS 33 1HD LYS 33 5.929 14.478 0.747 245 HE2 LYS 33 2HE LYS 33 4.317 15.108 -0.951 246 HE3 LYS 33 1HE LYS 33 3.525 13.539 -0.810 247 HZ1 LYS 33 3HZ LYS 33 3.684 15.630 1.295 248 HZ2 LYS 33 1HZ LYS 33 3.049 14.093 1.525 249 HZ3 LYS 33 2HZ LYS 33 2.308 15.147 0.458 250 H HIS 34 H HIS 34 9.048 9.802 -0.498 251 HA HIS 34 HA HIS 34 7.166 8.463 -2.147 252 HB2 HIS 34 2HB HIS 34 9.533 8.814 -2.832 253 HB3 HIS 34 1HB HIS 34 10.046 7.732 -1.555 254 HD1 HIS 34 1HD HIS 34 8.122 7.672 -4.825 255 HD2 HIS 34 2HD HIS 34 10.078 5.083 -2.241 256 HE1 HIS 34 1HE HIS 34 8.253 5.473 -6.039 257 HE2 HIS 34 2HE HIS 34 9.165 3.879 -4.312 258 H ARG 35 H ARG 35 8.603 7.854 0.987 259 HA ARG 35 HA ARG 35 7.819 5.151 1.262 260 HB2 ARG 35 2HB ARG 35 7.987 7.244 3.457 261 HB3 ARG 35 1HB ARG 35 7.971 5.505 3.701 262 HG2 ARG 35 2HG ARG 35 10.122 5.309 2.594 263 HG3 ARG 35 1HG ARG 35 10.120 7.033 2.251 264 HD2 ARG 35 2HD ARG 35 11.499 6.813 4.133 265 HD3 ARG 35 1HD ARG 35 9.959 7.379 4.767 266 HE ARG 35 HE ARG 35 10.266 4.531 4.772 267 HH11 ARG 35 1HH1 ARG 35 10.581 7.509 6.686 268 HH12 ARG 35 2HH1 ARG 35 10.974 6.695 8.132 269 HH21 ARG 35 1HH2 ARG 35 10.818 3.428 6.813 270 HH22 ARG 35 2HH2 ARG 35 11.149 4.344 8.199 271 H GLU 36 H GLU 36 6.149 8.187 1.729 272 HA GLU 36 HA GLU 36 3.821 7.256 2.956 273 HB2 GLU 36 2HB GLU 36 4.438 9.642 1.252 274 HB3 GLU 36 1HB GLU 36 2.816 9.360 1.885 275 HG2 GLU 36 2HG GLU 36 5.327 9.607 3.481 276 HG3 GLU 36 1HG GLU 36 4.152 10.914 3.236 277 H ALA 37 H ALA 37 4.593 7.826 -0.438 278 HA ALA 37 HA ALA 37 2.043 6.992 -1.347 279 HB1 ALA 37 1HB ALA 37 3.342 8.676 -2.551 280 HB2 ALA 37 2HB ALA 37 2.941 7.311 -3.592 281 HB3 ALA 37 3HB ALA 37 4.566 7.464 -2.925 282 H GLU 38 H GLU 38 5.302 5.555 -1.555 283 HA GLU 38 HA GLU 38 4.487 3.364 -3.103 284 HB2 GLU 38 2HB GLU 38 6.794 4.140 -3.097 285 HB3 GLU 38 1HB GLU 38 6.964 3.653 -1.418 286 HG2 GLU 38 2HG GLU 38 6.621 1.323 -2.057 287 HG3 GLU 38 1HG GLU 38 6.430 1.804 -3.738 288 H MET 39 H MET 39 5.006 3.615 0.390 289 HA MET 39 HA MET 39 4.670 0.823 0.802 290 HB2 MET 39 2HB MET 39 5.812 2.276 2.447 291 HB3 MET 39 1HB MET 39 4.279 3.065 2.782 292 HG2 MET 39 2HG MET 39 3.368 0.992 3.654 293 HG3 MET 39 1HG MET 39 4.869 0.154 3.271 294 HE1 MET 39 3HE MET 39 4.505 3.817 4.744 295 HE2 MET 39 1HE MET 39 4.513 3.470 6.470 296 HE3 MET 39 2HE MET 39 3.165 2.925 5.471 297 H ARG 40 H ARG 40 2.476 3.488 0.674 298 HA ARG 40 HA ARG 40 0.204 2.088 1.696 299 HB2 ARG 40 2HB ARG 40 0.416 4.534 1.792 300 HB3 ARG 40 1HB ARG 40 0.420 4.607 0.042 301 HG2 ARG 40 2HG ARG 40 -1.876 3.782 -0.008 302 HG3 ARG 40 1HG ARG 40 -1.882 3.680 1.753 303 HD2 ARG 40 2HD ARG 40 -2.967 5.734 1.033 304 HD3 ARG 40 1HD ARG 40 -1.475 6.097 1.893 305 HE ARG 40 HE ARG 40 -1.689 6.101 -1.045 306 HH11 ARG 40 1HH1 ARG 40 -0.482 7.606 1.959 307 HH12 ARG 40 2HH1 ARG 40 0.207 8.954 1.217 308 HH21 ARG 40 1HH2 ARG 40 -0.716 7.987 -2.106 309 HH22 ARG 40 2HH2 ARG 40 0.092 9.173 -1.200 310 H ASN 41 H ASN 41 1.403 2.964 -1.497 311 HA ASN 41 HA ASN 41 -0.770 1.873 -2.926 312 HB2 ASN 41 2HB ASN 41 0.549 3.678 -3.835 313 HB3 ASN 41 1HB ASN 41 1.991 2.679 -3.826 314 HD21 ASN 41 1HD2 ASN 41 -1.007 3.368 -5.416 315 HD22 ASN 41 2HD2 ASN 41 -0.667 2.439 -6.830 316 H SER 42 H SER 42 2.527 0.645 -2.284 317 HA SER 42 HA SER 42 2.452 -1.452 -4.070 318 HB2 SER 42 2HB SER 42 4.138 -1.124 -1.605 319 HB3 SER 42 1HB SER 42 4.415 -2.311 -2.886 320 HG SER 42 HG SER 42 4.583 0.483 -2.964 321 H ILE 43 H ILE 43 1.097 -1.379 -0.843 322 HA ILE 43 HA ILE 43 1.043 -4.214 -0.764 323 HB ILE 43 HB ILE 43 -0.552 -4.056 1.131 324 HG12 ILE 43 2HG1 ILE 43 -0.258 -1.055 0.720 325 HG13 ILE 43 1HG1 ILE 43 -1.720 -2.028 0.624 326 HG21 ILE 43 1HG2 ILE 43 1.058 -3.141 2.716 327 HG22 ILE 43 2HG2 ILE 43 1.955 -2.415 1.382 328 HG23 ILE 43 3HG2 ILE 43 1.822 -4.172 1.508 329 HD11 ILE 43 3HD1 ILE 43 -0.117 -1.544 3.117 330 HD12 ILE 43 1HD1 ILE 43 -1.606 -2.481 3.002 331 HD13 ILE 43 2HD1 ILE 43 -1.628 -0.747 2.679 332 H LEU 44 H LEU 44 -1.234 -1.814 -1.893 333 HA LEU 44 HA LEU 44 -3.120 -3.898 -2.522 334 HB2 LEU 44 2HB LEU 44 -3.104 -1.012 -3.440 335 HB3 LEU 44 1HB LEU 44 -4.355 -2.160 -3.838 336 HG LEU 44 HG LEU 44 -4.675 -2.322 -1.257 337 HD11 LEU 44 1HD1 LEU 44 -4.130 -0.337 -0.019 338 HD12 LEU 44 2HD1 LEU 44 -3.397 0.380 -1.449 339 HD13 LEU 44 3HD1 LEU 44 -2.653 -1.029 -0.709 340 HD21 LEU 44 3HD2 LEU 44 -6.229 -0.412 -1.335 341 HD22 LEU 44 1HD2 LEU 44 -6.350 -1.448 -2.756 342 HD23 LEU 44 2HD2 LEU 44 -5.500 0.091 -2.858 343 H ALA 45 H ALA 45 -0.537 -2.211 -4.118 344 HA ALA 45 HA ALA 45 -1.138 -3.070 -6.742 345 HB1 ALA 45 1HB ALA 45 1.054 -2.277 -7.352 346 HB2 ALA 45 2HB ALA 45 1.552 -2.265 -5.667 347 HB3 ALA 45 3HB ALA 45 0.315 -1.134 -6.224 348 H GLN 46 H GLN 46 0.456 -4.689 -4.112 349 HA GLN 46 HA GLN 46 1.510 -6.681 -5.907 350 HB2 GLN 46 2HB GLN 46 1.527 -6.511 -2.905 351 HB3 GLN 46 1HB GLN 46 2.047 -7.958 -3.755 352 HG2 GLN 46 2HG GLN 46 3.251 -5.204 -3.996 353 HG3 GLN 46 1HG GLN 46 3.951 -6.594 -3.170 354 HE21 GLN 46 1HE2 GLN 46 4.769 -8.299 -4.406 355 HE22 GLN 46 2HE2 GLN 46 5.117 -8.140 -6.088 356 H VAL 47 H VAL 47 -1.276 -6.312 -3.843 357 HA VAL 47 HA VAL 47 -2.072 -9.047 -4.268 358 HB VAL 47 HB VAL 47 -3.920 -6.844 -3.333 359 HG11 VAL 47 1HG1 VAL 47 -5.067 -8.847 -3.935 360 HG12 VAL 47 2HG1 VAL 47 -5.040 -8.777 -2.163 361 HG13 VAL 47 3HG1 VAL 47 -3.934 -9.830 -3.021 362 HG21 VAL 47 3HG2 VAL 47 -2.192 -8.583 -1.582 363 HG22 VAL 47 1HG2 VAL 47 -3.381 -7.413 -1.024 364 HG23 VAL 47 2HG2 VAL 47 -1.924 -6.866 -1.868 365 H LEU 48 H LEU 48 -2.876 -5.904 -5.592 366 HA LEU 48 HA LEU 48 -4.721 -7.196 -7.447 367 HB2 LEU 48 2HB LEU 48 -4.231 -4.282 -6.912 368 HB3 LEU 48 1HB LEU 48 -5.439 -4.933 -7.994 369 HG LEU 48 HG LEU 48 -5.389 -5.242 -4.984 370 HD11 LEU 48 1HD1 LEU 48 -7.349 -3.779 -5.035 371 HD12 LEU 48 2HD1 LEU 48 -7.154 -3.589 -6.778 372 HD13 LEU 48 3HD1 LEU 48 -5.916 -2.978 -5.684 373 HD21 LEU 48 3HD2 LEU 48 -6.402 -7.176 -6.097 374 HD22 LEU 48 1HD2 LEU 48 -7.454 -6.082 -6.999 375 HD23 LEU 48 2HD2 LEU 48 -7.607 -6.210 -5.241 376 H ASP 49 H ASP 49 -3.921 -7.722 -9.330 377 HA ASP 49 HA ASP 49 -1.527 -6.725 -10.442 378 HB2 ASP 49 2HB ASP 49 -2.419 -8.878 -11.222 379 HB3 ASP 49 1HB ASP 49 -3.908 -8.104 -11.741 380 H GLN 50 H GLN 50 -1.435 -5.465 -12.389 381 HA GLN 50 HA GLN 50 -2.474 -2.921 -12.220 382 HB2 GLN 50 2HB GLN 50 -0.540 -3.522 -13.611 383 HB3 GLN 50 1HB GLN 50 -1.614 -4.318 -14.753 384 HG2 GLN 50 2HG GLN 50 -2.661 -2.197 -15.275 385 HG3 GLN 50 1HG GLN 50 -1.651 -1.387 -14.075 386 HE21 GLN 50 1HE2 GLN 50 -1.773 -2.840 -17.189 387 HE22 GLN 50 2HE2 GLN 50 -0.222 -2.324 -17.727 388 H SER 51 H SER 51 -3.914 -5.717 -13.798 389 HA SER 51 HA SER 51 -5.896 -4.325 -15.224 390 HB2 SER 51 2HB SER 51 -7.052 -6.586 -15.173 391 HB3 SER 51 1HB SER 51 -5.443 -6.572 -15.880 392 HG SER 51 HG SER 51 -4.616 -7.460 -14.029 393 H ALA 52 H ALA 52 -5.863 -5.861 -12.049 394 HA ALA 52 HA ALA 52 -8.515 -5.149 -11.364 395 HB1 ALA 52 1HB ALA 52 -7.379 -7.019 -10.303 396 HB2 ALA 52 2HB ALA 52 -7.880 -5.831 -9.096 397 HB3 ALA 52 3HB ALA 52 -6.191 -5.920 -9.611 398 H ARG 53 H ARG 53 -5.381 -3.695 -10.910 399 HA ARG 53 HA ARG 53 -6.130 -1.576 -9.208 400 HB2 ARG 53 2HB ARG 53 -3.933 -1.777 -11.258 401 HB3 ARG 53 1HB ARG 53 -4.140 -0.384 -10.211 402 HG2 ARG 53 2HG ARG 53 -3.643 -3.202 -9.204 403 HG3 ARG 53 1HG ARG 53 -2.407 -1.964 -9.425 404 HD2 ARG 53 2HD ARG 53 -4.793 -1.797 -7.583 405 HD3 ARG 53 1HD ARG 53 -3.125 -2.080 -7.115 406 HE ARG 53 HE ARG 53 -3.118 0.241 -8.604 407 HH11 ARG 53 1HH1 ARG 53 -4.508 -0.784 -5.515 408 HH12 ARG 53 2HH1 ARG 53 -4.410 0.771 -4.809 409 HH21 ARG 53 1HH2 ARG 53 -3.030 2.364 -7.616 410 HH22 ARG 53 2HH2 ARG 53 -3.579 2.569 -6.022 411 H ALA 54 H ALA 54 -6.033 -1.777 -12.735 412 HA ALA 54 HA ALA 54 -6.958 0.848 -13.194 413 HB1 ALA 54 1HB ALA 54 -7.157 -1.583 -14.972 414 HB2 ALA 54 2HB ALA 54 -5.791 -0.468 -14.905 415 HB3 ALA 54 3HB ALA 54 -7.361 0.092 -15.486 416 H ARG 55 H ARG 55 -8.559 -2.275 -12.885 417 HA ARG 55 HA ARG 55 -11.180 -1.461 -13.500 418 HB2 ARG 55 2HB ARG 55 -10.133 -3.823 -13.178 419 HB3 ARG 55 1HB ARG 55 -10.508 -3.580 -11.482 420 HG2 ARG 55 2HG ARG 55 -12.257 -4.849 -12.473 421 HG3 ARG 55 1HG ARG 55 -12.885 -3.227 -12.129 422 HD2 ARG 55 2HD ARG 55 -12.622 -2.575 -14.424 423 HD3 ARG 55 1HD ARG 55 -11.789 -4.081 -14.800 424 HE ARG 55 HE ARG 55 -14.587 -4.080 -13.918 425 HH11 ARG 55 1HH1 ARG 55 -12.112 -5.058 -16.249 426 HH12 ARG 55 2HH1 ARG 55 -13.218 -5.759 -17.347 427 HH21 ARG 55 1HH2 ARG 55 -16.095 -5.055 -15.401 428 HH22 ARG 55 2HH2 ARG 55 -15.540 -5.755 -16.855 429 H LEU 56 H LEU 56 -9.316 -1.525 -10.536 430 HA LEU 56 HA LEU 56 -11.230 -0.832 -8.655 431 HB2 LEU 56 2HB LEU 56 -8.933 -1.558 -8.137 432 HB3 LEU 56 1HB LEU 56 -8.315 -0.051 -8.770 433 HG LEU 56 HG LEU 56 -9.523 1.151 -6.950 434 HD11 LEU 56 1HD1 LEU 56 -10.321 -0.143 -5.035 435 HD12 LEU 56 2HD1 LEU 56 -10.044 -1.634 -5.934 436 HD13 LEU 56 3HD1 LEU 56 -11.254 -0.479 -6.493 437 HD21 LEU 56 3HD2 LEU 56 -7.154 0.609 -6.749 438 HD22 LEU 56 1HD2 LEU 56 -7.560 -0.967 -6.070 439 HD23 LEU 56 2HD2 LEU 56 -7.958 0.508 -5.183 440 H SER 57 H SER 57 -9.273 1.191 -10.801 441 HA SER 57 HA SER 57 -10.111 3.631 -9.695 442 HB2 SER 57 2HB SER 57 -8.064 3.414 -11.084 443 HB3 SER 57 1HB SER 57 -9.077 3.141 -12.501 444 HG SER 57 HG SER 57 -10.074 5.269 -11.603 445 H ASN 58 H ASN 58 -11.526 1.511 -12.081 446 HA ASN 58 HA ASN 58 -13.451 3.317 -13.112 447 HB2 ASN 58 2HB ASN 58 -13.456 0.310 -12.865 448 HB3 ASN 58 1HB ASN 58 -14.829 1.178 -13.528 449 HD21 ASN 58 1HD2 ASN 58 -14.597 0.166 -15.473 450 HD22 ASN 58 2HD2 ASN 58 -13.330 0.531 -16.582 451 H LEU 59 H LEU 59 -13.519 1.005 -10.447 452 HA LEU 59 HA LEU 59 -16.109 1.635 -9.581 453 HB2 LEU 59 2HB LEU 59 -13.769 0.303 -8.271 454 HB3 LEU 59 1HB LEU 59 -15.167 0.733 -7.319 455 HG LEU 59 HG LEU 59 -15.295 -1.585 -7.903 456 HD11 LEU 59 1HD1 LEU 59 -17.452 -1.693 -9.008 457 HD12 LEU 59 2HD1 LEU 59 -17.279 -0.021 -9.524 458 HD13 LEU 59 3HD1 LEU 59 -17.384 -0.406 -7.803 459 HD21 LEU 59 3HD2 LEU 59 -13.892 -1.610 -9.903 460 HD22 LEU 59 1HD2 LEU 59 -15.133 -0.738 -10.797 461 HD23 LEU 59 2HD2 LEU 59 -15.448 -2.377 -10.224 462 H ALA 60 H ALA 60 -12.971 2.944 -8.780 463 HA ALA 60 HA ALA 60 -13.756 4.613 -6.667 464 HB1 ALA 60 1HB ALA 60 -11.424 4.013 -7.195 465 HB2 ALA 60 2HB ALA 60 -11.659 5.753 -7.011 466 HB3 ALA 60 3HB ALA 60 -11.523 5.045 -8.622 467 H LEU 61 H LEU 61 -14.211 4.947 -10.066 468 HA LEU 61 HA LEU 61 -14.618 7.817 -9.873 469 HB2 LEU 61 2HB LEU 61 -14.665 5.908 -12.192 470 HB3 LEU 61 1HB LEU 61 -15.048 7.614 -12.354 471 HG LEU 61 HG LEU 61 -12.387 6.469 -11.484 472 HD11 LEU 61 1HD1 LEU 61 -13.222 7.721 -14.092 473 HD12 LEU 61 2HD1 LEU 61 -12.851 6.017 -13.825 474 HD13 LEU 61 3HD1 LEU 61 -11.584 7.235 -13.657 475 HD21 LEU 61 3HD2 LEU 61 -11.569 8.772 -11.768 476 HD22 LEU 61 1HD2 LEU 61 -12.791 8.661 -10.502 477 HD23 LEU 61 2HD2 LEU 61 -13.216 9.308 -12.085 478 H VAL 62 H VAL 62 -16.376 4.965 -9.617 479 HA VAL 62 HA VAL 62 -18.808 6.424 -10.269 480 HB VAL 62 HB VAL 62 -18.552 4.477 -11.713 481 HG11 VAL 62 1HG1 VAL 62 -17.230 3.035 -10.386 482 HG12 VAL 62 2HG1 VAL 62 -18.708 2.179 -10.849 483 HG13 VAL 62 3HG1 VAL 62 -18.527 2.820 -9.214 484 HG21 VAL 62 3HG2 VAL 62 -20.701 3.364 -11.308 485 HG22 VAL 62 1HG2 VAL 62 -20.793 5.128 -11.189 486 HG23 VAL 62 2HG2 VAL 62 -20.760 4.144 -9.721 487 H LYS 63 H LYS 63 -17.490 4.178 -7.814 488 HA LYS 63 HA LYS 63 -19.276 5.412 -5.885 489 HB2 LYS 63 2HB LYS 63 -18.987 2.385 -6.076 490 HB3 LYS 63 1HB LYS 63 -19.943 3.278 -4.917 491 HG2 LYS 63 2HG LYS 63 -21.416 4.094 -6.677 492 HG3 LYS 63 1HG LYS 63 -20.459 3.239 -7.878 493 HD2 LYS 63 2HD LYS 63 -22.500 2.015 -7.367 494 HD3 LYS 63 1HD LYS 63 -21.085 1.101 -6.851 495 HE2 LYS 63 2HE LYS 63 -21.467 1.611 -4.582 496 HE3 LYS 63 1HE LYS 63 -22.635 2.868 -4.972 497 HZ1 LYS 63 3HZ LYS 63 -23.702 0.844 -4.197 498 HZ2 LYS 63 1HZ LYS 63 -23.051 -0.049 -5.467 499 HZ3 LYS 63 2HZ LYS 63 -24.148 1.199 -5.753 500 HA PRO 64 HA PRO 64 -14.852 5.203 -4.678 501 HB2 PRO 64 2HB PRO 64 -14.931 7.395 -3.038 502 HB3 PRO 64 1HB PRO 64 -14.679 7.482 -4.784 503 HG2 PRO 64 2HG PRO 64 -17.179 7.920 -3.203 504 HG3 PRO 64 1HG PRO 64 -16.566 8.820 -4.597 505 HD2 PRO 64 2HD PRO 64 -18.528 6.986 -4.800 506 HD3 PRO 64 1HD PRO 64 -17.361 7.266 -6.113 507 H GLU 65 H GLU 65 -17.713 5.105 -2.768 508 HA GLU 65 HA GLU 65 -16.467 4.706 -0.241 509 HB2 GLU 65 2HB GLU 65 -19.195 3.746 -1.112 510 HB3 GLU 65 1HB GLU 65 -18.614 3.907 0.529 511 HG2 GLU 65 2HG GLU 65 -20.011 5.749 0.223 512 HG3 GLU 65 1HG GLU 65 -18.372 6.373 0.019 513 H LYS 66 H LYS 66 -17.525 2.660 -2.863 514 HA LYS 66 HA LYS 66 -17.142 0.239 -1.375 515 HB2 LYS 66 2HB LYS 66 -17.378 0.486 -4.385 516 HB3 LYS 66 1HB LYS 66 -17.736 -0.920 -3.379 517 HG2 LYS 66 2HG LYS 66 -19.269 1.671 -3.355 518 HG3 LYS 66 1HG LYS 66 -19.784 0.174 -4.133 519 HD2 LYS 66 2HD LYS 66 -19.213 0.419 -1.174 520 HD3 LYS 66 1HD LYS 66 -20.810 0.640 -1.873 521 HE2 LYS 66 2HE LYS 66 -19.129 -1.852 -2.124 522 HE3 LYS 66 1HE LYS 66 -20.455 -1.634 -0.989 523 HZ1 LYS 66 3HZ LYS 66 -20.769 -1.445 -3.941 524 HZ2 LYS 66 1HZ LYS 66 -21.990 -1.431 -2.794 525 HZ3 LYS 66 2HZ LYS 66 -21.078 -2.825 -3.063 526 H THR 67 H THR 67 -15.293 2.247 -3.510 527 HA THR 67 HA THR 67 -13.062 0.619 -3.944 528 HB THR 67 HB THR 67 -12.998 3.568 -3.418 529 HG1 THR 67 1HG THR 67 -13.953 2.152 -5.709 530 HG21 THR 67 3HG2 THR 67 -11.536 1.823 -5.414 531 HG22 THR 67 1HG2 THR 67 -10.869 2.423 -3.893 532 HG23 THR 67 2HG2 THR 67 -11.293 3.556 -5.171 533 H LYS 68 H LYS 68 -13.965 2.923 -1.416 534 HA LYS 68 HA LYS 68 -11.586 2.873 0.055 535 HB2 LYS 68 2HB LYS 68 -13.755 4.434 0.131 536 HB3 LYS 68 1HB LYS 68 -14.208 3.320 1.393 537 HG2 LYS 68 2HG LYS 68 -13.127 5.312 2.316 538 HG3 LYS 68 1HG LYS 68 -12.215 3.842 2.662 539 HD2 LYS 68 2HD LYS 68 -10.784 5.745 1.955 540 HD3 LYS 68 1HD LYS 68 -10.611 4.343 0.915 541 HE2 LYS 68 2HE LYS 68 -12.310 5.479 -0.635 542 HE3 LYS 68 1HE LYS 68 -12.101 6.913 0.359 543 HZ1 LYS 68 3HZ LYS 68 -9.941 5.463 -1.039 544 HZ2 LYS 68 1HZ LYS 68 -9.747 6.909 -0.195 545 HZ3 LYS 68 2HZ LYS 68 -10.651 6.874 -1.617 546 H ALA 69 H ALA 69 -14.541 1.012 0.261 547 HA ALA 69 HA ALA 69 -13.956 -0.447 2.587 548 HB1 ALA 69 1HB ALA 69 -15.671 -1.271 0.243 549 HB2 ALA 69 2HB ALA 69 -16.208 -0.302 1.616 550 HB3 ALA 69 3HB ALA 69 -15.703 -1.975 1.858 551 H VAL 70 H VAL 70 -13.421 -1.260 -0.864 552 HA VAL 70 HA VAL 70 -12.156 -3.673 -0.118 553 HB VAL 70 HB VAL 70 -11.395 -3.951 -2.437 554 HG11 VAL 70 1HG1 VAL 70 -13.558 -4.051 -3.542 555 HG12 VAL 70 2HG1 VAL 70 -14.237 -3.010 -2.298 556 HG13 VAL 70 3HG1 VAL 70 -13.658 -4.620 -1.871 557 HG21 VAL 70 3HG2 VAL 70 -10.853 -1.639 -2.992 558 HG22 VAL 70 1HG2 VAL 70 -12.562 -1.220 -2.926 559 HG23 VAL 70 2HG2 VAL 70 -11.974 -2.314 -4.176 560 H GLU 71 H GLU 71 -10.910 -0.436 -0.745 561 HA GLU 71 HA GLU 71 -8.190 -0.980 -0.720 562 HB2 GLU 71 2HB GLU 71 -9.691 1.366 0.446 563 HB3 GLU 71 1HB GLU 71 -7.936 1.280 0.473 564 HG2 GLU 71 2HG GLU 71 -8.029 1.164 -2.022 565 HG3 GLU 71 1HG GLU 71 -9.767 1.456 -1.905 566 H ASN 72 H ASN 72 -10.328 -0.355 2.051 567 HA ASN 72 HA ASN 72 -8.520 -0.675 4.106 568 HB2 ASN 72 2HB ASN 72 -10.867 0.171 4.274 569 HB3 ASN 72 1HB ASN 72 -11.431 -1.481 4.066 570 HD21 ASN 72 1HD2 ASN 72 -9.921 0.759 6.145 571 HD22 ASN 72 2HD2 ASN 72 -9.958 -0.189 7.581 572 H TYR 73 H TYR 73 -10.573 -3.031 2.459 573 HA TYR 73 HA TYR 73 -9.899 -5.226 4.049 574 HB2 TYR 73 2HB TYR 73 -11.900 -5.129 2.559 575 HB3 TYR 73 1HB TYR 73 -10.831 -5.290 1.171 576 HD1 TYR 73 2HD TYR 73 -11.831 -7.006 4.314 577 HD2 TYR 73 1HD TYR 73 -10.259 -7.445 0.381 578 HE1 TYR 73 2HE TYR 73 -11.958 -9.447 4.540 579 HE2 TYR 73 1HE TYR 73 -10.369 -9.887 0.609 580 HH TYR 73 HH TYR 73 -12.054 -11.404 3.191 581 H LEU 74 H LEU 74 -8.550 -4.196 0.888 582 HA LEU 74 HA LEU 74 -6.729 -6.339 0.829 583 HB2 LEU 74 2HB LEU 74 -6.650 -3.772 -0.755 584 HB3 LEU 74 1HB LEU 74 -5.356 -4.959 -0.810 585 HG LEU 74 HG LEU 74 -6.589 -5.412 -2.699 586 HD11 LEU 74 1HD1 LEU 74 -6.081 -7.359 -1.390 587 HD12 LEU 74 2HD1 LEU 74 -7.485 -7.577 -2.437 588 HD13 LEU 74 3HD1 LEU 74 -7.709 -7.329 -0.703 589 HD21 LEU 74 3HD2 LEU 74 -8.564 -4.071 -2.283 590 HD22 LEU 74 1HD2 LEU 74 -9.140 -5.251 -1.106 591 HD23 LEU 74 2HD2 LEU 74 -9.019 -5.692 -2.811 592 H ILE 75 H ILE 75 -6.390 -3.154 2.198 593 HA ILE 75 HA ILE 75 -3.646 -3.288 2.737 594 HB ILE 75 HB ILE 75 -5.862 -1.905 4.293 595 HG12 ILE 75 2HG1 ILE 75 -3.817 -0.827 2.333 596 HG13 ILE 75 1HG1 ILE 75 -5.508 -1.139 1.972 597 HG21 ILE 75 1HG2 ILE 75 -2.876 -1.560 4.592 598 HG22 ILE 75 2HG2 ILE 75 -3.969 -2.253 5.790 599 HG23 ILE 75 3HG2 ILE 75 -4.101 -0.550 5.353 600 HD11 ILE 75 3HD1 ILE 75 -5.089 1.226 2.331 601 HD12 ILE 75 1HD1 ILE 75 -4.468 0.885 3.946 602 HD13 ILE 75 2HD1 ILE 75 -6.169 0.586 3.572 603 H GLN 76 H GLN 76 -6.409 -4.445 4.634 604 HA GLN 76 HA GLN 76 -4.882 -5.513 6.789 605 HB2 GLN 76 2HB GLN 76 -7.612 -6.418 5.823 606 HB3 GLN 76 1HB GLN 76 -6.921 -6.715 7.403 607 HG2 GLN 76 2HG GLN 76 -7.720 -4.024 6.299 608 HG3 GLN 76 1HG GLN 76 -8.618 -4.970 7.482 609 HE21 GLN 76 1HE2 GLN 76 -7.850 -5.092 9.587 610 HE22 GLN 76 2HE2 GLN 76 -6.664 -3.997 10.185 611 H MET 77 H MET 77 -6.196 -6.828 3.839 612 HA MET 77 HA MET 77 -5.751 -9.576 4.057 613 HB2 MET 77 2HB MET 77 -7.076 -8.272 2.347 614 HB3 MET 77 1HB MET 77 -5.535 -7.864 1.614 615 HG2 MET 77 2HG MET 77 -6.528 -9.592 0.336 616 HG3 MET 77 1HG MET 77 -5.158 -10.278 1.204 617 HE1 MET 77 3HE MET 77 -6.300 -12.593 0.365 618 HE2 MET 77 1HE MET 77 -7.743 -11.778 -0.230 619 HE3 MET 77 2HE MET 77 -7.894 -13.140 0.884 620 H ALA 78 H ALA 78 -3.727 -7.021 2.646 621 HA ALA 78 HA ALA 78 -1.616 -8.681 1.805 622 HB1 ALA 78 1HB ALA 78 -2.015 -6.445 0.879 623 HB2 ALA 78 2HB ALA 78 -0.366 -6.608 1.491 624 HB3 ALA 78 3HB ALA 78 -1.573 -5.733 2.430 625 H ARG 79 H ARG 79 -2.236 -6.910 4.746 626 HA ARG 79 HA ARG 79 0.340 -7.161 5.876 627 HB2 ARG 79 2HB ARG 79 -1.258 -5.485 6.612 628 HB3 ARG 79 1HB ARG 79 -2.313 -6.747 7.217 629 HG2 ARG 79 2HG ARG 79 -0.637 -7.388 8.868 630 HG3 ARG 79 1HG ARG 79 0.458 -6.152 8.237 631 HD2 ARG 79 2HD ARG 79 -2.242 -5.694 9.458 632 HD3 ARG 79 1HD ARG 79 -0.685 -5.349 10.226 633 HE ARG 79 HE ARG 79 -0.296 -3.763 8.407 634 HH11 ARG 79 1HH1 ARG 79 -3.640 -4.622 9.211 635 HH12 ARG 79 2HH1 ARG 79 -4.327 -3.250 8.512 636 HH21 ARG 79 1HH2 ARG 79 -1.189 -1.877 7.477 637 HH22 ARG 79 2HH2 ARG 79 -2.885 -1.603 7.530 638 H TYR 80 H TYR 80 -2.549 -9.176 6.078 639 HA TYR 80 HA TYR 80 -1.439 -10.791 8.178 640 HB2 TYR 80 2HB TYR 80 -3.825 -11.405 6.412 641 HB3 TYR 80 1HB TYR 80 -3.352 -12.287 7.857 642 HD1 TYR 80 2HD TYR 80 -2.760 -10.188 9.786 643 HD2 TYR 80 1HD TYR 80 -5.853 -10.394 6.870 644 HE1 TYR 80 2HE TYR 80 -4.142 -8.693 11.151 645 HE2 TYR 80 1HE TYR 80 -7.241 -8.888 8.229 646 HH TYR 80 HH TYR 80 -5.970 -7.106 10.769 647 H GLY 81 H GLY 81 -0.967 -10.698 4.875 648 HA2 GLY 81 2HA GLY 81 0.566 -11.981 3.675 649 HA3 GLY 81 1HA GLY 81 0.600 -13.136 5.003 650 H GLN 82 H GLN 82 -1.826 -11.845 2.787 651 HA GLN 82 HA GLN 82 -2.700 -14.603 2.303 652 HB2 GLN 82 2HB GLN 82 -4.180 -11.996 2.254 653 HB3 GLN 82 1HB GLN 82 -4.812 -13.448 1.475 654 HG2 GLN 82 2HG GLN 82 -3.989 -13.328 4.338 655 HG3 GLN 82 1HG GLN 82 -5.650 -13.040 3.793 656 HE21 GLN 82 1HE2 GLN 82 -6.856 -14.762 3.067 657 HE22 GLN 82 2HE2 GLN 82 -6.373 -16.405 3.213 658 H LEU 83 H LEU 83 -0.561 -13.052 1.072 659 HA LEU 83 HA LEU 83 -1.455 -12.551 -1.612 660 HB2 LEU 83 2HB LEU 83 1.132 -12.180 -0.188 661 HB3 LEU 83 1HB LEU 83 1.176 -12.380 -1.924 662 HG LEU 83 HG LEU 83 1.236 -10.031 -1.328 663 HD11 LEU 83 1HD1 LEU 83 -0.520 -9.239 -2.733 664 HD12 LEU 83 2HD1 LEU 83 -1.381 -10.765 -2.581 665 HD13 LEU 83 3HD1 LEU 83 0.181 -10.712 -3.394 666 HD21 LEU 83 3HD2 LEU 83 -1.476 -10.466 -0.058 667 HD22 LEU 83 1HD2 LEU 83 -0.661 -8.921 -0.250 668 HD23 LEU 83 2HD2 LEU 83 0.017 -10.142 0.824 669 H SER 84 H SER 84 -2.152 -14.445 -2.417 670 HA SER 84 HA SER 84 -0.484 -16.737 -2.656 671 HB2 SER 84 2HB SER 84 -2.710 -15.866 -4.510 672 HB3 SER 84 1HB SER 84 -2.205 -17.515 -4.127 673 HG SER 84 HG SER 84 -3.480 -17.495 -2.502 674 H GLU 85 H GLU 85 -1.596 -14.204 -4.884 675 HA GLU 85 HA GLU 85 0.901 -13.495 -5.883 676 HB2 GLU 85 2HB GLU 85 -0.245 -15.765 -7.156 677 HB3 GLU 85 1HB GLU 85 -0.582 -14.391 -8.193 678 HG2 GLU 85 2HG GLU 85 2.133 -15.316 -7.258 679 HG3 GLU 85 1HG GLU 85 1.482 -15.402 -8.896 680 H LYS 86 H LYS 86 0.023 -12.383 -8.214 681 HA LYS 86 HA LYS 86 -1.558 -10.253 -7.194 682 HB2 LYS 86 2HB LYS 86 -0.536 -10.851 -9.960 683 HB3 LYS 86 1HB LYS 86 -1.330 -9.362 -9.471 684 HG2 LYS 86 2HG LYS 86 0.443 -8.765 -8.018 685 HG3 LYS 86 1HG LYS 86 1.176 -10.370 -8.165 686 HD2 LYS 86 2HD LYS 86 2.382 -8.682 -9.457 687 HD3 LYS 86 1HD LYS 86 1.696 -9.934 -10.486 688 HE2 LYS 86 2HE LYS 86 -0.209 -8.426 -10.945 689 HE3 LYS 86 1HE LYS 86 0.613 -7.173 -10.012 690 HZ1 LYS 86 3HZ LYS 86 2.397 -7.199 -11.574 691 HZ2 LYS 86 1HZ LYS 86 0.930 -6.988 -12.382 692 HZ3 LYS 86 2HZ LYS 86 1.700 -8.489 -12.429 693 H VAL 87 H VAL 87 -3.622 -10.139 -7.177 694 HA VAL 87 HA VAL 87 -5.291 -12.104 -8.441 695 HB VAL 87 HB VAL 87 -5.981 -9.734 -6.670 696 HG11 VAL 87 1HG1 VAL 87 -7.888 -10.518 -7.958 697 HG12 VAL 87 2HG1 VAL 87 -8.082 -10.904 -6.248 698 HG13 VAL 87 3HG1 VAL 87 -7.606 -12.163 -7.390 699 HG21 VAL 87 3HG2 VAL 87 -6.134 -11.332 -4.835 700 HG22 VAL 87 1HG2 VAL 87 -4.508 -11.301 -5.513 701 HG23 VAL 87 2HG2 VAL 87 -5.609 -12.626 -5.905 702 H SER 88 H SER 88 -6.650 -11.660 -10.131 703 HA SER 88 HA SER 88 -6.125 -9.237 -11.601 704 HB2 SER 88 2HB SER 88 -7.736 -11.702 -12.331 705 HB3 SER 88 1HB SER 88 -7.312 -10.378 -13.412 706 HG SER 88 HG SER 88 -5.426 -11.942 -12.006 707 H GLU 89 H GLU 89 -8.515 -8.860 -12.947 708 HA GLU 89 HA GLU 89 -9.844 -7.111 -11.280 709 HB2 GLU 89 2HB GLU 89 -10.863 -8.419 -13.786 710 HB3 GLU 89 1HB GLU 89 -11.443 -6.914 -13.089 711 HG2 GLU 89 2HG GLU 89 -9.278 -5.856 -13.560 712 HG3 GLU 89 1HG GLU 89 -8.677 -7.389 -14.148 713 H GLN 90 H GLN 90 -10.753 -10.361 -12.358 714 HA GLN 90 HA GLN 90 -13.343 -10.431 -11.316 715 HB2 GLN 90 2HB GLN 90 -12.446 -12.034 -12.967 716 HB3 GLN 90 1HB GLN 90 -11.471 -12.762 -11.699 717 HG2 GLN 90 2HG GLN 90 -13.452 -14.094 -12.084 718 HG3 GLN 90 1HG GLN 90 -13.517 -13.338 -10.487 719 HE21 GLN 90 1HE2 GLN 90 -15.018 -11.754 -10.091 720 HE22 GLN 90 2HE2 GLN 90 -16.357 -11.467 -11.163 721 H GLY 91 H GLY 91 -10.291 -11.381 -9.765 722 HA2 GLY 91 2HA GLY 91 -11.455 -12.403 -7.418 723 HA3 GLY 91 1HA GLY 91 -9.818 -11.774 -7.560 724 H LEU 92 H LEU 92 -10.470 -9.168 -8.356 725 HA LEU 92 HA LEU 92 -11.016 -7.954 -5.852 726 HB2 LEU 92 2HB LEU 92 -9.582 -6.859 -7.493 727 HB3 LEU 92 1HB LEU 92 -10.911 -6.768 -8.627 728 HG LEU 92 HG LEU 92 -12.092 -5.226 -7.085 729 HD11 LEU 92 1HD1 LEU 92 -9.524 -5.288 -5.516 730 HD12 LEU 92 2HD1 LEU 92 -11.094 -5.893 -4.984 731 HD13 LEU 92 3HD1 LEU 92 -10.862 -4.169 -5.258 732 HD21 LEU 92 3HD2 LEU 92 -10.680 -3.280 -7.534 733 HD22 LEU 92 1HD2 LEU 92 -10.776 -4.351 -8.931 734 HD23 LEU 92 2HD2 LEU 92 -9.332 -4.350 -7.919 735 H ILE 93 H ILE 93 -12.933 -8.600 -8.714 736 HA ILE 93 HA ILE 93 -15.241 -7.095 -8.050 737 HB ILE 93 HB ILE 93 -15.360 -9.786 -9.428 738 HG12 ILE 93 2HG1 ILE 93 -13.615 -8.521 -10.536 739 HG13 ILE 93 1HG1 ILE 93 -15.033 -8.694 -11.557 740 HG21 ILE 93 1HG2 ILE 93 -17.270 -8.786 -10.619 741 HG22 ILE 93 2HG2 ILE 93 -17.059 -7.307 -9.683 742 HG23 ILE 93 3HG2 ILE 93 -17.499 -8.808 -8.870 743 HD11 ILE 93 3HD1 ILE 93 -14.189 -6.250 -10.016 744 HD12 ILE 93 1HD1 ILE 93 -15.615 -6.354 -11.064 745 HD13 ILE 93 2HD1 ILE 93 -13.984 -6.518 -11.745 746 H GLU 94 H GLU 94 -14.270 -10.364 -7.362 747 HA GLU 94 HA GLU 94 -16.544 -11.053 -5.862 748 HB2 GLU 94 2HB GLU 94 -13.774 -12.236 -5.732 749 HB3 GLU 94 1HB GLU 94 -15.184 -12.934 -4.948 750 HG2 GLU 94 2HG GLU 94 -16.274 -13.067 -7.191 751 HG3 GLU 94 1HG GLU 94 -14.742 -12.565 -7.900 752 H ILE 95 H ILE 95 -13.528 -9.535 -4.876 753 HA ILE 95 HA ILE 95 -14.153 -9.480 -2.092 754 HB ILE 95 HB ILE 95 -12.340 -7.607 -3.687 755 HG12 ILE 95 2HG1 ILE 95 -11.661 -10.003 -1.965 756 HG13 ILE 95 1HG1 ILE 95 -11.669 -9.992 -3.721 757 HG21 ILE 95 1HG2 ILE 95 -12.502 -7.982 -0.709 758 HG22 ILE 95 2HG2 ILE 95 -13.078 -6.579 -1.607 759 HG23 ILE 95 3HG2 ILE 95 -11.355 -6.956 -1.574 760 HD11 ILE 95 3HD1 ILE 95 -9.866 -8.329 -3.706 761 HD12 ILE 95 1HD1 ILE 95 -9.411 -9.809 -2.860 762 HD13 ILE 95 2HD1 ILE 95 -9.860 -8.372 -1.944 763 H LEU 96 H LEU 96 -14.800 -7.385 -4.802 764 HA LEU 96 HA LEU 96 -15.997 -5.245 -3.480 765 HB2 LEU 96 2HB LEU 96 -15.314 -5.256 -5.855 766 HB3 LEU 96 1HB LEU 96 -16.618 -6.366 -6.209 767 HG LEU 96 HG LEU 96 -18.227 -4.602 -5.486 768 HD11 LEU 96 1HD1 LEU 96 -17.420 -2.291 -5.361 769 HD12 LEU 96 2HD1 LEU 96 -15.758 -2.880 -5.461 770 HD13 LEU 96 3HD1 LEU 96 -16.756 -3.295 -4.071 771 HD21 LEU 96 3HD2 LEU 96 -16.368 -3.888 -7.752 772 HD22 LEU 96 1HD2 LEU 96 -18.014 -3.295 -7.537 773 HD23 LEU 96 2HD2 LEU 96 -17.729 -5.007 -7.840 774 H LYS 97 H LYS 97 -17.308 -8.312 -4.650 775 HA LYS 97 HA LYS 97 -20.028 -7.949 -4.057 776 HB2 LYS 97 2HB LYS 97 -18.360 -10.445 -3.805 777 HB3 LYS 97 1HB LYS 97 -20.108 -10.390 -3.666 778 HG2 LYS 97 2HG LYS 97 -20.287 -9.719 -5.989 779 HG3 LYS 97 1HG LYS 97 -18.522 -9.674 -6.127 780 HD2 LYS 97 2HD LYS 97 -19.433 -11.778 -7.030 781 HD3 LYS 97 1HD LYS 97 -18.405 -12.063 -5.627 782 HE2 LYS 97 2HE LYS 97 -20.430 -12.227 -4.204 783 HE3 LYS 97 1HE LYS 97 -21.430 -12.011 -5.639 784 HZ1 LYS 97 3HZ LYS 97 -19.561 -14.247 -5.110 785 HZ2 LYS 97 1HZ LYS 97 -20.505 -14.084 -6.502 786 HZ3 LYS 97 2HZ LYS 97 -21.228 -14.302 -4.998 787 H LYS 98 H LYS 98 -17.403 -9.205 -2.088 788 HA LYS 98 HA LYS 98 -18.712 -9.854 0.240 789 HB2 LYS 98 2HB LYS 98 -15.981 -8.673 -0.116 790 HB3 LYS 98 1HB LYS 98 -16.579 -9.308 1.397 791 HG2 LYS 98 2HG LYS 98 -16.848 -11.510 0.255 792 HG3 LYS 98 1HG LYS 98 -16.012 -10.799 -1.135 793 HD2 LYS 98 2HD LYS 98 -14.089 -10.282 0.235 794 HD3 LYS 98 1HD LYS 98 -14.922 -10.873 1.673 795 HE2 LYS 98 2HE LYS 98 -15.088 -13.073 0.585 796 HE3 LYS 98 1HE LYS 98 -14.077 -12.426 -0.726 797 HZ1 LYS 98 3HZ LYS 98 -12.285 -12.068 0.888 798 HZ2 LYS 98 1HZ LYS 98 -12.795 -13.672 0.964 799 HZ3 LYS 98 2HZ LYS 98 -13.286 -12.569 2.136 800 H VAL 99 H VAL 99 -17.202 -6.774 -0.575 801 HA VAL 99 HA VAL 99 -18.023 -5.597 1.889 802 HB VAL 99 HB VAL 99 -16.991 -3.555 1.153 803 HG11 VAL 99 1HG1 VAL 99 -14.706 -4.413 0.677 804 HG12 VAL 99 2HG1 VAL 99 -15.415 -6.006 0.365 805 HG13 VAL 99 3HG1 VAL 99 -15.525 -5.301 1.964 806 HG21 VAL 99 3HG2 VAL 99 -17.767 -3.492 -1.168 807 HG22 VAL 99 1HG2 VAL 99 -16.728 -4.862 -1.558 808 HG23 VAL 99 2HG2 VAL 99 -16.016 -3.310 -1.102 809 H SER 100 H SER 100 -19.465 -5.764 -1.247 810 HA SER 100 HA SER 100 -21.375 -3.758 -0.780 811 HB2 SER 100 2HB SER 100 -21.496 -6.175 -2.595 812 HB3 SER 100 1HB SER 100 -22.553 -4.762 -2.679 813 HG SER 100 HG SER 100 -19.828 -5.010 -3.291 814 H GLN 101 H GLN 101 -21.087 -7.141 -0.024 815 HA GLN 101 HA GLN 101 -23.758 -7.567 0.890 816 HB2 GLN 101 2HB GLN 101 -22.253 -9.385 0.107 817 HB3 GLN 101 1HB GLN 101 -21.161 -9.042 1.429 818 HG2 GLN 101 2HG GLN 101 -22.842 -9.800 3.020 819 HG3 GLN 101 1HG GLN 101 -23.970 -10.102 1.695 820 HE21 GLN 101 1HE2 GLN 101 -23.572 -11.803 0.301 821 HE22 GLN 101 2HE2 GLN 101 -22.475 -13.078 0.643 822 H GLN 102 H GLN 102 -20.681 -7.494 2.592 823 HA GLN 102 HA GLN 102 -21.673 -5.698 4.647 824 HB2 GLN 102 2HB GLN 102 -20.595 -8.461 5.380 825 HB3 GLN 102 1HB GLN 102 -20.927 -7.164 6.506 826 HG2 GLN 102 2HG GLN 102 -23.293 -7.346 6.025 827 HG3 GLN 102 1HG GLN 102 -22.968 -8.604 4.832 828 HE21 GLN 102 1HE2 GLN 102 -24.573 -8.761 7.199 829 HE22 GLN 102 2HE2 GLN 102 -23.895 -9.994 8.204 830 H THR 103 H THR 103 -19.146 -8.063 4.405 831 HA THR 103 HA THR 103 -17.026 -6.678 3.362 832 HB THR 103 HB THR 103 -16.859 -7.059 6.412 833 HG1 THR 103 1HG THR 103 -17.771 -4.988 5.102 834 HG21 THR 103 3HG2 THR 103 -14.812 -5.961 4.470 835 HG22 THR 103 1HG2 THR 103 -14.751 -7.548 5.238 836 HG23 THR 103 2HG2 THR 103 -14.611 -6.092 6.217 837 H GLU 104 H GLU 104 -17.641 -8.771 6.107 838 HA GLU 104 HA GLU 104 -18.240 -11.130 5.145 839 HB2 GLU 104 2HB GLU 104 -16.192 -12.522 5.069 840 HB3 GLU 104 1HB GLU 104 -16.103 -11.273 3.849 841 HG2 GLU 104 2HG GLU 104 -14.526 -10.020 5.117 842 HG3 GLU 104 1HG GLU 104 -14.748 -11.063 6.523 843 H LYS 105 H LYS 105 -18.269 -12.640 6.859 844 HA LYS 105 HA LYS 105 -17.181 -11.556 9.337 845 HB2 LYS 105 2HB LYS 105 -19.668 -12.090 9.313 846 HB3 LYS 105 1HB LYS 105 -19.233 -13.764 8.995 847 HG2 LYS 105 2HG LYS 105 -18.069 -13.907 11.117 848 HG3 LYS 105 1HG LYS 105 -18.418 -12.212 11.445 849 HD2 LYS 105 2HD LYS 105 -19.971 -13.585 12.670 850 HD3 LYS 105 1HD LYS 105 -20.843 -12.750 11.387 851 HE2 LYS 105 2HE LYS 105 -21.587 -15.045 11.510 852 HE3 LYS 105 1HE LYS 105 -20.708 -14.791 10.009 853 HZ1 LYS 105 3HZ LYS 105 -20.113 -16.884 11.149 854 HZ2 LYS 105 1HZ LYS 105 -19.576 -16.007 12.461 855 HZ3 LYS 105 2HZ LYS 105 -18.760 -15.909 11.006 856 H THR 106 H THR 106 -15.144 -12.195 9.095 857 HA THR 106 HA THR 106 -14.184 -14.398 7.841 858 HB THR 106 HB THR 106 -13.006 -13.054 10.201 859 HG1 THR 106 1HG THR 106 -13.010 -12.352 7.410 860 HG21 THR 106 3HG2 THR 106 -11.785 -15.040 9.445 861 HG22 THR 106 1HG2 THR 106 -10.847 -13.586 9.092 862 HG23 THR 106 2HG2 THR 106 -11.735 -14.397 7.804 863 H THR 107 H THR 107 -15.106 -16.313 8.294 864 HA THR 107 HA THR 107 -14.537 -17.434 10.924 865 HB THR 107 HB THR 107 -16.937 -18.080 9.176 866 HG1 THR 107 1HG THR 107 -16.508 -16.229 11.213 867 HG21 THR 107 3HG2 THR 107 -16.203 -18.864 12.005 868 HG22 THR 107 1HG2 THR 107 -16.222 -19.932 10.609 869 HG23 THR 107 2HG2 THR 107 -17.733 -19.250 11.222 870 H THR 108 H THR 108 -12.707 -18.434 10.303 871 HA THR 108 HA THR 108 -11.320 -19.927 9.407 872 HB THR 108 HB THR 108 -13.834 -21.282 8.446 873 HG1 THR 108 1HG THR 108 -12.713 -20.909 10.952 874 HG21 THR 108 3HG2 THR 108 -11.141 -22.412 9.256 875 HG22 THR 108 1HG2 THR 108 -11.751 -22.295 7.605 876 HG23 THR 108 2HG2 THR 108 -12.538 -23.369 8.758 877 H VAL 109 H VAL 109 -10.851 -18.055 7.963 878 HA VAL 109 HA VAL 109 -11.418 -18.694 5.134 879 HB VAL 109 HB VAL 109 -11.151 -15.892 6.290 880 HG11 VAL 109 1HG1 VAL 109 -11.807 -15.096 4.068 881 HG12 VAL 109 2HG1 VAL 109 -11.811 -16.758 3.476 882 HG13 VAL 109 3HG1 VAL 109 -10.303 -16.017 4.013 883 HG21 VAL 109 3HG2 VAL 109 -13.525 -15.602 5.730 884 HG22 VAL 109 1HG2 VAL 109 -13.289 -16.884 6.920 885 HG23 VAL 109 2HG2 VAL 109 -13.611 -17.292 5.234 886 H LYS 110 H LYS 110 -9.210 -17.225 7.438 887 HA LYS 110 HA LYS 110 -7.096 -17.111 5.444 888 HB2 LYS 110 2HB LYS 110 -7.791 -15.234 7.122 889 HB3 LYS 110 1HB LYS 110 -6.940 -16.196 8.307 890 HG2 LYS 110 2HG LYS 110 -5.598 -15.258 5.799 891 HG3 LYS 110 1HG LYS 110 -5.737 -14.223 7.206 892 HD2 LYS 110 2HD LYS 110 -4.486 -15.877 8.526 893 HD3 LYS 110 1HD LYS 110 -4.368 -16.913 7.097 894 HE2 LYS 110 2HE LYS 110 -3.040 -15.348 5.939 895 HE3 LYS 110 1HE LYS 110 -3.407 -14.069 7.084 896 HZ1 LYS 110 3HZ LYS 110 -1.790 -16.492 7.664 897 HZ2 LYS 110 1HZ LYS 110 -2.112 -15.246 8.745 898 HZ3 LYS 110 2HZ LYS 110 -1.170 -14.923 7.414 899 H PHE 111 H PHE 111 -6.324 -19.117 5.183 900 HA PHE 111 HA PHE 111 -6.038 -20.907 7.465 901 HB2 PHE 111 2HB PHE 111 -5.736 -21.430 4.512 902 HB3 PHE 111 1HB PHE 111 -5.595 -22.645 5.772 903 HD1 PHE 111 1HD PHE 111 -7.596 -23.105 7.216 904 HD2 PHE 111 2HD PHE 111 -7.820 -20.832 3.634 905 HE1 PHE 111 1HE PHE 111 -10.014 -23.513 7.116 906 HE2 PHE 111 2HE PHE 111 -10.245 -21.228 3.532 907 HZ PHE 111 HZ PHE 111 -11.344 -22.570 5.272 908 H ASN 112 H ASN 112 -4.129 -19.020 5.344 909 HA ASN 112 HA ASN 112 -1.675 -20.397 5.486 910 HB2 ASN 112 2HB ASN 112 -2.074 -18.652 3.808 911 HB3 ASN 112 1HB ASN 112 -2.165 -17.434 5.076 912 HD21 ASN 112 1HD2 ASN 112 -0.433 -16.252 4.235 913 HD22 ASN 112 2HD2 ASN 112 1.184 -16.803 4.316 Start of MODEL 5 1 H1 GLY 0 1HT GLY 0 -15.710 23.339 8.030 2 H2 GLY 0 2HT GLY 0 -16.223 24.094 9.454 3 H3 GLY 0 3HT GLY 0 -16.436 24.875 7.960 4 HA2 GLY 0 1HA GLY 0 -17.986 23.153 7.294 5 HA3 GLY 0 2HA GLY 0 -17.769 22.425 8.884 6 H SER 1 H SER 1 -19.995 22.718 9.243 7 HA SER 1 HA SER 1 -21.270 25.246 9.261 8 HB2 SER 1 2HB SER 1 -21.974 22.754 10.808 9 HB3 SER 1 1HB SER 1 -23.056 24.054 10.305 10 HG SER 1 HG SER 1 -21.822 22.044 8.806 11 H ALA 2 H ALA 2 -22.244 26.103 11.363 12 HA ALA 2 HA ALA 2 -20.259 27.033 13.076 13 HB1 ALA 2 1HB ALA 2 -23.238 26.929 13.537 14 HB2 ALA 2 2HB ALA 2 -22.363 28.215 12.702 15 HB3 ALA 2 3HB ALA 2 -22.096 27.935 14.423 16 H ASP 3 H ASP 3 -22.452 24.315 13.402 17 HA ASP 3 HA ASP 3 -21.784 23.764 16.123 18 HB2 ASP 3 2HB ASP 3 -23.861 22.924 15.117 19 HB3 ASP 3 1HB ASP 3 -22.922 21.910 14.028 20 H GLU 4 H GLU 4 -20.697 22.529 13.032 21 HA GLU 4 HA GLU 4 -18.940 20.537 13.866 22 HB2 GLU 4 2HB GLU 4 -18.882 22.314 11.424 23 HB3 GLU 4 1HB GLU 4 -17.775 20.956 11.638 24 HG2 GLU 4 2HG GLU 4 -19.695 19.434 11.666 25 HG3 GLU 4 1HG GLU 4 -20.787 20.807 11.507 26 H GLU 5 H GLU 5 -18.353 23.985 13.358 27 HA GLU 5 HA GLU 5 -15.584 23.916 13.926 28 HB2 GLU 5 2HB GLU 5 -17.442 26.273 14.275 29 HB3 GLU 5 1HB GLU 5 -15.702 26.330 14.067 30 HG2 GLU 5 2HG GLU 5 -17.746 25.503 12.025 31 HG3 GLU 5 1HG GLU 5 -16.787 26.977 12.036 32 H LEU 6 H LEU 6 -18.412 24.852 15.852 33 HA LEU 6 HA LEU 6 -17.086 25.537 18.215 34 HB2 LEU 6 2HB LEU 6 -19.422 26.146 17.671 35 HB3 LEU 6 1HB LEU 6 -19.901 24.483 17.854 36 HG LEU 6 HG LEU 6 -20.577 26.014 19.730 37 HD11 LEU 6 1HD1 LEU 6 -18.825 23.721 20.556 38 HD12 LEU 6 2HD1 LEU 6 -20.542 23.648 20.158 39 HD13 LEU 6 3HD1 LEU 6 -20.001 24.535 21.583 40 HD21 LEU 6 3HD2 LEU 6 -18.628 27.434 19.860 41 HD22 LEU 6 1HD2 LEU 6 -17.624 26.061 20.331 42 HD23 LEU 6 2HD2 LEU 6 -18.889 26.636 21.411 43 H GLU 7 H GLU 7 -18.435 22.423 17.140 44 HA GLU 7 HA GLU 7 -17.902 21.203 19.607 45 HB2 GLU 7 2HB GLU 7 -18.646 19.162 18.706 46 HB3 GLU 7 1HB GLU 7 -19.546 20.369 17.818 47 HG2 GLU 7 2HG GLU 7 -19.007 18.993 16.100 48 HG3 GLU 7 1HG GLU 7 -17.552 19.984 16.084 49 H ALA 8 H ALA 8 -16.029 21.517 16.672 50 HA ALA 8 HA ALA 8 -13.924 19.790 17.388 51 HB1 ALA 8 1HB ALA 8 -12.598 20.960 15.708 52 HB2 ALA 8 2HB ALA 8 -13.772 22.276 15.684 53 HB3 ALA 8 3HB ALA 8 -14.232 20.679 15.107 54 H LEU 9 H LEU 9 -14.436 23.212 18.024 55 HA LEU 9 HA LEU 9 -11.964 23.675 19.301 56 HB2 LEU 9 2HB LEU 9 -13.434 25.442 18.337 57 HB3 LEU 9 1HB LEU 9 -14.602 25.145 19.597 58 HG LEU 9 HG LEU 9 -11.815 26.156 20.226 59 HD11 LEU 9 1HD1 LEU 9 -12.775 28.412 20.242 60 HD12 LEU 9 2HD1 LEU 9 -14.291 27.762 19.615 61 HD13 LEU 9 3HD1 LEU 9 -12.827 27.696 18.633 62 HD21 LEU 9 3HD2 LEU 9 -13.157 25.285 22.114 63 HD22 LEU 9 1HD2 LEU 9 -14.453 26.401 21.689 64 HD23 LEU 9 2HD2 LEU 9 -12.901 27.025 22.244 65 H ARG 10 H ARG 10 -15.211 23.094 20.582 66 HA ARG 10 HA ARG 10 -14.613 22.998 23.310 67 HB2 ARG 10 2HB ARG 10 -16.882 23.187 22.533 68 HB3 ARG 10 1HB ARG 10 -16.773 21.656 21.685 69 HG2 ARG 10 2HG ARG 10 -16.656 20.474 23.812 70 HG3 ARG 10 1HG ARG 10 -16.714 22.010 24.679 71 HD2 ARG 10 2HD ARG 10 -18.922 22.464 23.829 72 HD3 ARG 10 1HD ARG 10 -18.855 21.045 22.786 73 HE ARG 10 HE ARG 10 -18.574 19.860 25.069 74 HH11 ARG 10 1HH1 ARG 10 -20.784 22.568 24.387 75 HH12 ARG 10 2HH1 ARG 10 -21.926 22.109 25.547 76 HH21 ARG 10 1HH2 ARG 10 -20.178 19.220 26.646 77 HH22 ARG 10 2HH2 ARG 10 -21.581 20.141 26.861 78 H ARG 11 H ARG 11 -14.800 20.387 20.961 79 HA ARG 11 HA ARG 11 -14.376 18.138 22.521 80 HB2 ARG 11 2HB ARG 11 -15.066 18.447 20.119 81 HB3 ARG 11 1HB ARG 11 -13.362 18.685 19.828 82 HG2 ARG 11 2HG ARG 11 -12.877 16.427 20.418 83 HG3 ARG 11 1HG ARG 11 -14.564 16.160 20.897 84 HD2 ARG 11 2HD ARG 11 -15.294 16.728 18.630 85 HD3 ARG 11 1HD ARG 11 -13.617 16.951 18.152 86 HE ARG 11 HE ARG 11 -13.677 14.451 19.120 87 HH11 ARG 11 1HH1 ARG 11 -15.582 16.183 16.634 88 HH12 ARG 11 2HH1 ARG 11 -15.807 14.767 15.698 89 HH21 ARG 11 1HH2 ARG 11 -14.104 12.509 17.791 90 HH22 ARG 11 2HH2 ARG 11 -15.018 12.742 16.343 91 H GLN 12 H GLN 12 -12.042 20.124 20.759 92 HA GLN 12 HA GLN 12 -9.788 18.663 21.574 93 HB2 GLN 12 2HB GLN 12 -9.647 20.037 19.626 94 HB3 GLN 12 1HB GLN 12 -10.069 21.476 20.539 95 HG2 GLN 12 2HG GLN 12 -7.963 21.482 21.644 96 HG3 GLN 12 1HG GLN 12 -7.550 19.897 20.995 97 HE21 GLN 12 1HE2 GLN 12 -6.920 19.729 18.924 98 HE22 GLN 12 2HE2 GLN 12 -6.461 21.045 17.920 99 H ARG 13 H ARG 13 -11.381 21.487 22.981 100 HA ARG 13 HA ARG 13 -9.384 21.814 24.947 101 HB2 ARG 13 2HB ARG 13 -12.242 22.784 24.987 102 HB3 ARG 13 1HB ARG 13 -11.007 23.280 26.131 103 HG2 ARG 13 2HG ARG 13 -9.680 24.096 24.138 104 HG3 ARG 13 1HG ARG 13 -11.150 23.855 23.193 105 HD2 ARG 13 2HD ARG 13 -11.106 26.131 23.847 106 HD3 ARG 13 1HD ARG 13 -12.325 25.335 24.846 107 HE ARG 13 HE ARG 13 -9.801 25.328 26.126 108 HH11 ARG 13 1HH1 ARG 13 -12.579 27.417 25.482 109 HH12 ARG 13 2HH1 ARG 13 -12.235 28.516 26.711 110 HH21 ARG 13 1HH2 ARG 13 -9.324 26.836 27.861 111 HH22 ARG 13 2HH2 ARG 13 -10.325 28.184 28.109 112 H LEU 14 H LEU 14 -12.329 19.881 24.785 113 HA LEU 14 HA LEU 14 -12.396 19.062 27.421 114 HB2 LEU 14 2HB LEU 14 -13.259 17.994 24.877 115 HB3 LEU 14 1HB LEU 14 -13.610 17.115 26.347 116 HG LEU 14 HG LEU 14 -14.617 19.860 25.539 117 HD11 LEU 14 1HD1 LEU 14 -15.681 18.057 24.356 118 HD12 LEU 14 2HD1 LEU 14 -16.812 18.768 25.512 119 HD13 LEU 14 3HD1 LEU 14 -16.026 17.224 25.868 120 HD21 LEU 14 3HD2 LEU 14 -14.271 19.792 27.958 121 HD22 LEU 14 1HD2 LEU 14 -15.180 18.281 28.053 122 HD23 LEU 14 2HD2 LEU 14 -15.992 19.766 27.575 123 H ALA 15 H ALA 15 -10.680 17.959 24.596 124 HA ALA 15 HA ALA 15 -9.640 15.553 25.594 125 HB1 ALA 15 1HB ALA 15 -7.875 15.784 23.904 126 HB2 ALA 15 2HB ALA 15 -8.319 17.476 23.667 127 HB3 ALA 15 3HB ALA 15 -9.451 16.198 23.228 128 H GLU 16 H GLU 16 -8.487 18.856 25.847 129 HA GLU 16 HA GLU 16 -6.077 18.303 27.239 130 HB2 GLU 16 2HB GLU 16 -7.670 20.831 27.466 131 HB3 GLU 16 1HB GLU 16 -5.929 20.641 27.597 132 HG2 GLU 16 2HG GLU 16 -5.986 19.906 25.182 133 HG3 GLU 16 1HG GLU 16 -7.640 20.485 25.160 134 H LEU 17 H LEU 17 -9.330 18.994 28.121 135 HA LEU 17 HA LEU 17 -9.003 19.247 30.929 136 HB2 LEU 17 2HB LEU 17 -10.952 19.922 29.278 137 HB3 LEU 17 1HB LEU 17 -11.527 18.308 29.584 138 HG LEU 17 HG LEU 17 -11.234 20.506 31.648 139 HD11 LEU 17 1HD1 LEU 17 -13.675 20.518 31.635 140 HD12 LEU 17 2HD1 LEU 17 -13.666 19.343 30.321 141 HD13 LEU 17 3HD1 LEU 17 -12.994 20.953 30.068 142 HD21 LEU 17 3HD2 LEU 17 -12.518 17.781 31.936 143 HD22 LEU 17 1HD2 LEU 17 -12.478 19.049 33.157 144 HD23 LEU 17 2HD2 LEU 17 -10.983 18.260 32.656 145 H GLN 18 H GLN 18 -9.106 16.697 28.681 146 HA GLN 18 HA GLN 18 -8.876 14.476 28.709 147 HB2 GLN 18 2HB GLN 18 -8.465 14.811 31.692 148 HB3 GLN 18 1HB GLN 18 -8.231 13.302 30.826 149 HG2 GLN 18 2HG GLN 18 -6.442 14.293 29.526 150 HG3 GLN 18 1HG GLN 18 -6.700 15.845 30.324 151 HE21 GLN 18 1HE2 GLN 18 -6.049 16.094 32.443 152 HE22 GLN 18 2HE2 GLN 18 -4.977 15.000 33.221 153 H ALA 19 H ALA 19 -11.323 15.798 28.893 154 HA ALA 19 HA ALA 19 -13.037 14.134 30.550 155 HB1 ALA 19 1HB ALA 19 -14.794 15.681 29.861 156 HB2 ALA 19 2HB ALA 19 -13.646 16.525 28.819 157 HB3 ALA 19 3HB ALA 19 -13.422 16.531 30.568 158 H LYS 20 H LYS 20 -14.876 13.104 29.590 159 HA LYS 20 HA LYS 20 -14.262 11.858 27.103 160 HB2 LYS 20 2HB LYS 20 -15.280 10.636 29.030 161 HB3 LYS 20 1HB LYS 20 -16.717 11.629 28.862 162 HG2 LYS 20 2HG LYS 20 -17.224 10.660 26.738 163 HG3 LYS 20 1HG LYS 20 -15.682 9.807 26.702 164 HD2 LYS 20 2HD LYS 20 -17.456 8.277 27.300 165 HD3 LYS 20 1HD LYS 20 -16.380 8.515 28.672 166 HE2 LYS 20 2HE LYS 20 -17.983 10.102 29.644 167 HE3 LYS 20 1HE LYS 20 -19.061 9.851 28.271 168 HZ1 LYS 20 3HZ LYS 20 -18.237 7.812 30.265 169 HZ2 LYS 20 1HZ LYS 20 -19.190 7.513 28.899 170 HZ3 LYS 20 2HZ LYS 20 -19.761 8.526 30.113 171 H HIS 21 H HIS 21 -15.636 11.919 25.288 172 HA HIS 21 HA HIS 21 -16.851 12.839 23.637 173 HB2 HIS 21 2HB HIS 21 -17.735 14.907 25.667 174 HB3 HIS 21 1HB HIS 21 -18.095 15.078 23.954 175 HD1 HIS 21 1HD HIS 21 -20.185 14.023 23.177 176 HD2 HIS 21 2HD HIS 21 -18.931 12.470 26.813 177 HE1 HIS 21 1HE HIS 21 -22.071 12.560 23.968 178 HE2 HIS 21 2HE HIS 21 -21.209 11.489 26.068 179 H GLY 22 H GLY 22 -14.250 13.833 25.048 180 HA2 GLY 22 2HA GLY 22 -13.715 15.950 23.087 181 HA3 GLY 22 1HA GLY 22 -12.870 15.762 24.621 182 H ASP 23 H ASP 23 -13.702 13.338 22.224 183 HA ASP 23 HA ASP 23 -11.010 12.314 22.230 184 HB2 ASP 23 2HB ASP 23 -11.840 10.616 20.712 185 HB3 ASP 23 1HB ASP 23 -13.053 10.846 21.967 186 HA PRO 24 HA PRO 24 -9.962 14.775 18.650 187 HB2 PRO 24 2HB PRO 24 -7.542 13.756 18.081 188 HB3 PRO 24 1HB PRO 24 -7.829 14.693 19.549 189 HG2 PRO 24 2HG PRO 24 -7.437 11.777 19.223 190 HG3 PRO 24 1HG PRO 24 -7.097 12.804 20.620 191 HD2 PRO 24 2HD PRO 24 -9.374 11.128 20.206 192 HD3 PRO 24 1HD PRO 24 -9.081 12.249 21.549 193 H GLY 25 H GLY 25 -11.420 12.062 18.325 194 HA2 GLY 25 2HA GLY 25 -10.535 10.350 16.440 195 HA3 GLY 25 1HA GLY 25 -12.220 10.757 16.656 196 H ASP 26 H ASP 26 -12.974 12.721 15.403 197 HA ASP 26 HA ASP 26 -12.711 12.264 12.690 198 HB2 ASP 26 2HB ASP 26 -13.517 14.819 14.048 199 HB3 ASP 26 1HB ASP 26 -13.581 14.547 12.304 200 H ALA 27 H ALA 27 -11.173 14.837 14.510 201 HA ALA 27 HA ALA 27 -9.895 16.086 12.365 202 HB1 ALA 27 1HB ALA 27 -10.220 17.137 14.546 203 HB2 ALA 27 2HB ALA 27 -8.535 17.211 14.030 204 HB3 ALA 27 3HB ALA 27 -9.037 16.032 15.246 205 H ALA 28 H ALA 28 -8.785 13.461 14.467 206 HA ALA 28 HA ALA 28 -6.198 13.430 13.322 207 HB1 ALA 28 1HB ALA 28 -5.879 11.379 14.598 208 HB2 ALA 28 2HB ALA 28 -7.607 11.331 14.957 209 HB3 ALA 28 3HB ALA 28 -6.610 12.638 15.599 210 H GLN 29 H GLN 29 -9.080 11.384 13.026 211 HA GLN 29 HA GLN 29 -7.894 9.530 11.296 212 HB2 GLN 29 2HB GLN 29 -10.128 8.607 10.938 213 HB3 GLN 29 1HB GLN 29 -9.826 8.976 12.633 214 HG2 GLN 29 2HG GLN 29 -11.118 11.053 12.326 215 HG3 GLN 29 1HG GLN 29 -11.568 10.481 10.719 216 HE21 GLN 29 1HE2 GLN 29 -13.781 10.369 11.322 217 HE22 GLN 29 2HE2 GLN 29 -14.335 9.112 12.360 218 H GLN 30 H GLN 30 -9.529 12.524 10.554 219 HA GLN 30 HA GLN 30 -9.788 11.922 7.783 220 HB2 GLN 30 2HB GLN 30 -9.844 14.564 9.242 221 HB3 GLN 30 1HB GLN 30 -10.168 14.388 7.521 222 HG2 GLN 30 2HG GLN 30 -11.721 12.999 9.694 223 HG3 GLN 30 1HG GLN 30 -12.219 14.500 8.923 224 HE21 GLN 30 1HE2 GLN 30 -11.718 11.087 8.465 225 HE22 GLN 30 2HE2 GLN 30 -12.660 10.937 7.024 226 H GLU 31 H GLU 31 -7.359 13.600 9.684 227 HA GLU 31 HA GLU 31 -5.652 14.231 7.472 228 HB2 GLU 31 2HB GLU 31 -5.457 15.409 9.623 229 HB3 GLU 31 1HB GLU 31 -5.079 13.896 10.429 230 HG2 GLU 31 2HG GLU 31 -3.010 13.734 9.106 231 HG3 GLU 31 1HG GLU 31 -3.388 15.285 8.362 232 H ALA 32 H ALA 32 -5.725 11.629 9.853 233 HA ALA 32 HA ALA 32 -3.542 10.180 8.962 234 HB1 ALA 32 1HB ALA 32 -6.098 9.071 10.120 235 HB2 ALA 32 2HB ALA 32 -4.742 9.699 11.058 236 HB3 ALA 32 3HB ALA 32 -4.537 8.250 10.070 237 H LYS 33 H LYS 33 -6.926 9.990 7.923 238 HA LYS 33 HA LYS 33 -6.611 7.924 6.081 239 HB2 LYS 33 2HB LYS 33 -8.797 8.649 6.884 240 HB3 LYS 33 1HB LYS 33 -8.596 10.196 6.101 241 HG2 LYS 33 2HG LYS 33 -10.110 8.991 4.754 242 HG3 LYS 33 1HG LYS 33 -8.575 8.942 3.900 243 HD2 LYS 33 2HD LYS 33 -9.357 6.709 5.728 244 HD3 LYS 33 1HD LYS 33 -10.030 6.771 4.091 245 HE2 LYS 33 2HE LYS 33 -7.652 6.755 3.272 246 HE3 LYS 33 1HE LYS 33 -7.144 6.519 4.944 247 HZ1 LYS 33 3HZ LYS 33 -7.274 4.395 3.856 248 HZ2 LYS 33 1HZ LYS 33 -8.872 4.687 3.380 249 HZ3 LYS 33 2HZ LYS 33 -8.481 4.497 5.004 250 H HIS 34 H HIS 34 -6.205 11.419 5.758 251 HA HIS 34 HA HIS 34 -5.872 11.332 2.938 252 HB2 HIS 34 2HB HIS 34 -6.469 13.430 4.133 253 HB3 HIS 34 1HB HIS 34 -4.857 13.497 4.831 254 HD1 HIS 34 1HD HIS 34 -3.011 14.515 3.322 255 HD2 HIS 34 2HD HIS 34 -6.550 13.751 1.278 256 HE1 HIS 34 1HE HIS 34 -2.706 15.490 1.068 257 HE2 HIS 34 2HE HIS 34 -4.690 14.676 -0.226 258 H ARG 35 H ARG 35 -3.698 11.080 5.638 259 HA ARG 35 HA ARG 35 -1.340 11.047 4.061 260 HB2 ARG 35 2HB ARG 35 -1.803 9.949 6.853 261 HB3 ARG 35 1HB ARG 35 -0.226 10.181 6.111 262 HG2 ARG 35 2HG ARG 35 -0.665 12.609 5.981 263 HG3 ARG 35 1HG ARG 35 -2.210 12.353 6.786 264 HD2 ARG 35 2HD ARG 35 -0.626 13.105 8.421 265 HD3 ARG 35 1HD ARG 35 -0.954 11.402 8.729 266 HE ARG 35 HE ARG 35 1.284 11.769 7.037 267 HH11 ARG 35 1HH1 ARG 35 0.347 11.938 10.435 268 HH12 ARG 35 2HH1 ARG 35 1.883 11.588 11.063 269 HH21 ARG 35 1HH2 ARG 35 3.452 11.292 7.881 270 HH22 ARG 35 2HH2 ARG 35 3.694 11.198 9.561 271 H GLU 36 H GLU 36 -3.700 8.622 5.001 272 HA GLU 36 HA GLU 36 -2.230 6.349 4.251 273 HB2 GLU 36 2HB GLU 36 -5.188 6.866 4.329 274 HB3 GLU 36 1HB GLU 36 -4.490 5.291 3.990 275 HG2 GLU 36 2HG GLU 36 -3.972 6.860 6.459 276 HG3 GLU 36 1HG GLU 36 -5.247 5.634 6.354 277 H ALA 37 H ALA 37 -4.437 8.513 2.560 278 HA ALA 37 HA ALA 37 -4.697 7.124 0.166 279 HB1 ALA 37 1HB ALA 37 -4.752 10.111 0.566 280 HB2 ALA 37 2HB ALA 37 -6.115 9.018 0.799 281 HB3 ALA 37 3HB ALA 37 -5.423 9.235 -0.811 282 H GLU 38 H GLU 38 -2.195 9.347 1.211 283 HA GLU 38 HA GLU 38 -0.974 9.381 -1.353 284 HB2 GLU 38 2HB GLU 38 0.028 10.330 1.322 285 HB3 GLU 38 1HB GLU 38 0.862 10.593 -0.200 286 HG2 GLU 38 2HG GLU 38 -1.892 11.614 0.476 287 HG3 GLU 38 1HG GLU 38 -0.408 12.562 0.526 288 H MET 39 H MET 39 -0.139 7.910 1.751 289 HA MET 39 HA MET 39 2.135 6.614 0.540 290 HB2 MET 39 2HB MET 39 1.230 6.764 3.386 291 HB3 MET 39 1HB MET 39 2.511 5.669 2.888 292 HG2 MET 39 2HG MET 39 3.504 7.669 3.736 293 HG3 MET 39 1HG MET 39 3.757 7.621 1.995 294 HE1 MET 39 3HE MET 39 3.489 11.440 2.593 295 HE2 MET 39 1HE MET 39 4.409 10.132 1.848 296 HE3 MET 39 2HE MET 39 4.288 10.237 3.605 297 H ARG 40 H ARG 40 -0.895 5.454 1.922 298 HA ARG 40 HA ARG 40 -0.051 2.725 1.957 299 HB2 ARG 40 2HB ARG 40 -1.898 3.954 3.342 300 HB3 ARG 40 1HB ARG 40 -2.924 3.567 1.974 301 HG2 ARG 40 2HG ARG 40 -3.246 1.896 3.610 302 HG3 ARG 40 1HG ARG 40 -2.301 1.161 2.311 303 HD2 ARG 40 2HD ARG 40 -1.443 0.564 4.547 304 HD3 ARG 40 1HD ARG 40 -0.252 1.452 3.598 305 HE ARG 40 HE ARG 40 -1.950 2.992 5.404 306 HH11 ARG 40 1HH1 ARG 40 1.178 1.392 4.996 307 HH12 ARG 40 2HH1 ARG 40 2.017 2.432 6.042 308 HH21 ARG 40 1HH2 ARG 40 -0.821 4.417 6.812 309 HH22 ARG 40 2HH2 ARG 40 0.841 4.208 7.155 310 H ASN 41 H ASN 41 -1.596 4.789 -0.337 311 HA ASN 41 HA ASN 41 -2.855 2.985 -2.080 312 HB2 ASN 41 2HB ASN 41 -3.063 5.436 -2.271 313 HB3 ASN 41 1HB ASN 41 -1.396 5.535 -2.813 314 HD21 ASN 41 1HD2 ASN 41 -0.922 4.909 -4.972 315 HD22 ASN 41 2HD2 ASN 41 -2.161 4.678 -6.141 316 H SER 42 H SER 42 0.507 3.800 -1.668 317 HA SER 42 HA SER 42 1.548 2.895 -4.053 318 HB2 SER 42 2HB SER 42 2.826 2.916 -1.330 319 HB3 SER 42 1HB SER 42 3.651 2.969 -2.895 320 HG SER 42 HG SER 42 3.200 4.988 -1.651 321 H ILE 43 H ILE 43 0.817 1.091 -1.029 322 HA ILE 43 HA ILE 43 1.940 -1.270 -2.193 323 HB ILE 43 HB ILE 43 1.213 -2.565 -0.315 324 HG12 ILE 43 2HG1 ILE 43 -0.520 -0.213 0.679 325 HG13 ILE 43 1HG1 ILE 43 -1.097 -1.694 -0.050 326 HG21 ILE 43 1HG2 ILE 43 2.216 -1.354 1.562 327 HG22 ILE 43 2HG2 ILE 43 2.153 0.125 0.594 328 HG23 ILE 43 3HG2 ILE 43 3.133 -1.238 0.057 329 HD11 ILE 43 3HD1 ILE 43 -0.259 -2.966 1.811 330 HD12 ILE 43 1HD1 ILE 43 -1.328 -1.672 2.354 331 HD13 ILE 43 2HD1 ILE 43 0.420 -1.501 2.522 332 H LEU 44 H LEU 44 -1.184 0.150 -1.905 333 HA LEU 44 HA LEU 44 -2.760 -2.065 -2.641 334 HB2 LEU 44 2HB LEU 44 -3.296 0.866 -3.052 335 HB3 LEU 44 1HB LEU 44 -4.495 -0.408 -3.162 336 HG LEU 44 HG LEU 44 -2.968 0.346 -0.673 337 HD11 LEU 44 1HD1 LEU 44 -4.567 2.055 -1.283 338 HD12 LEU 44 2HD1 LEU 44 -5.136 1.163 0.127 339 HD13 LEU 44 3HD1 LEU 44 -5.818 0.832 -1.469 340 HD21 LEU 44 3HD2 LEU 44 -4.553 -1.157 0.459 341 HD22 LEU 44 1HD2 LEU 44 -3.518 -2.015 -0.682 342 HD23 LEU 44 2HD2 LEU 44 -5.185 -1.643 -1.114 343 H ALA 45 H ALA 45 -1.122 0.333 -4.526 344 HA ALA 45 HA ALA 45 -2.122 -0.313 -7.048 345 HB1 ALA 45 1HB ALA 45 -0.224 0.950 -7.899 346 HB2 ALA 45 2HB ALA 45 0.558 0.845 -6.320 347 HB3 ALA 45 3HB ALA 45 -0.935 1.757 -6.496 348 H GLN 46 H GLN 46 0.489 -1.752 -5.168 349 HA GLN 46 HA GLN 46 1.113 -3.529 -7.420 350 HB2 GLN 46 2HB GLN 46 3.115 -4.211 -6.064 351 HB3 GLN 46 1HB GLN 46 3.087 -2.535 -6.601 352 HG2 GLN 46 2HG GLN 46 2.324 -1.881 -4.368 353 HG3 GLN 46 1HG GLN 46 2.472 -3.562 -3.851 354 HE21 GLN 46 1HE2 GLN 46 4.176 -0.762 -4.957 355 HE22 GLN 46 2HE2 GLN 46 5.743 -1.259 -4.406 356 H VAL 47 H VAL 47 -0.471 -3.641 -4.399 357 HA VAL 47 HA VAL 47 -0.455 -6.521 -4.149 358 HB VAL 47 HB VAL 47 -2.404 -4.467 -2.994 359 HG11 VAL 47 1HG1 VAL 47 -2.050 -7.362 -2.214 360 HG12 VAL 47 2HG1 VAL 47 -3.389 -6.720 -3.151 361 HG13 VAL 47 3HG1 VAL 47 -3.160 -6.206 -1.474 362 HG21 VAL 47 3HG2 VAL 47 -0.061 -5.871 -1.703 363 HG22 VAL 47 1HG2 VAL 47 -1.222 -4.836 -0.866 364 HG23 VAL 47 2HG2 VAL 47 -0.174 -4.159 -2.110 365 H LEU 48 H LEU 48 -2.553 -4.179 -5.582 366 HA LEU 48 HA LEU 48 -4.127 -6.300 -6.730 367 HB2 LEU 48 2HB LEU 48 -4.231 -3.305 -6.997 368 HB3 LEU 48 1HB LEU 48 -5.263 -4.387 -7.902 369 HG LEU 48 HG LEU 48 -5.239 -4.136 -4.885 370 HD11 LEU 48 1HD1 LEU 48 -7.213 -3.129 -6.929 371 HD12 LEU 48 2HD1 LEU 48 -6.059 -2.146 -6.030 372 HD13 LEU 48 3HD1 LEU 48 -7.351 -2.984 -5.172 373 HD21 LEU 48 3HD2 LEU 48 -5.930 -6.340 -5.667 374 HD22 LEU 48 1HD2 LEU 48 -7.080 -5.574 -6.769 375 HD23 LEU 48 2HD2 LEU 48 -7.296 -5.425 -5.024 376 H ASP 49 H ASP 49 -3.790 -7.038 -8.628 377 HA ASP 49 HA ASP 49 -1.579 -6.372 -10.232 378 HB2 ASP 49 2HB ASP 49 -2.736 -8.546 -10.416 379 HB3 ASP 49 1HB ASP 49 -4.178 -7.728 -11.001 380 H GLN 50 H GLN 50 -1.485 -5.140 -12.056 381 HA GLN 50 HA GLN 50 -2.602 -2.631 -12.056 382 HB2 GLN 50 2HB GLN 50 -0.640 -3.155 -13.389 383 HB3 GLN 50 1HB GLN 50 -1.607 -4.157 -14.460 384 HG2 GLN 50 2HG GLN 50 -2.846 -2.174 -15.192 385 HG3 GLN 50 1HG GLN 50 -1.867 -1.174 -14.125 386 HE21 GLN 50 1HE2 GLN 50 -1.114 0.044 -15.834 387 HE22 GLN 50 2HE2 GLN 50 0.014 -0.545 -16.988 388 H SER 51 H SER 51 -3.916 -5.452 -13.674 389 HA SER 51 HA SER 51 -5.886 -4.130 -15.206 390 HB2 SER 51 2HB SER 51 -6.262 -6.901 -14.120 391 HB3 SER 51 1HB SER 51 -6.632 -6.257 -15.713 392 HG SER 51 HG SER 51 -4.177 -7.086 -14.659 393 H ALA 52 H ALA 52 -5.817 -5.468 -11.939 394 HA ALA 52 HA ALA 52 -8.601 -5.085 -11.407 395 HB1 ALA 52 1HB ALA 52 -8.036 -5.771 -9.138 396 HB2 ALA 52 2HB ALA 52 -6.318 -5.655 -9.519 397 HB3 ALA 52 3HB ALA 52 -7.315 -6.871 -10.314 398 H ARG 53 H ARG 53 -5.602 -3.347 -10.785 399 HA ARG 53 HA ARG 53 -6.695 -1.452 -9.021 400 HB2 ARG 53 2HB ARG 53 -4.232 -2.000 -9.548 401 HB3 ARG 53 1HB ARG 53 -4.428 -0.943 -10.924 402 HG2 ARG 53 2HG ARG 53 -3.440 0.307 -9.167 403 HG3 ARG 53 1HG ARG 53 -5.083 0.909 -9.423 404 HD2 ARG 53 2HD ARG 53 -5.749 -0.664 -7.447 405 HD3 ARG 53 1HD ARG 53 -4.037 -0.822 -7.180 406 HE ARG 53 HE ARG 53 -4.256 1.805 -7.202 407 HH11 ARG 53 1HH1 ARG 53 -6.057 -0.629 -5.380 408 HH12 ARG 53 2HH1 ARG 53 -6.587 0.497 -4.189 409 HH21 ARG 53 1HH2 ARG 53 -4.998 3.287 -5.485 410 HH22 ARG 53 2HH2 ARG 53 -6.032 2.667 -4.280 411 H ALA 54 H ALA 54 -6.224 -1.535 -12.479 412 HA ALA 54 HA ALA 54 -7.304 0.959 -13.174 413 HB1 ALA 54 1HB ALA 54 -7.667 0.019 -15.403 414 HB2 ALA 54 2HB ALA 54 -7.464 -1.608 -14.755 415 HB3 ALA 54 3HB ALA 54 -6.102 -0.490 -14.764 416 H ARG 55 H ARG 55 -8.868 -2.176 -12.720 417 HA ARG 55 HA ARG 55 -11.572 -1.485 -13.253 418 HB2 ARG 55 2HB ARG 55 -10.728 -3.791 -13.039 419 HB3 ARG 55 1HB ARG 55 -10.388 -3.497 -11.339 420 HG2 ARG 55 2HG ARG 55 -12.407 -4.661 -11.360 421 HG3 ARG 55 1HG ARG 55 -12.803 -2.947 -11.107 422 HD2 ARG 55 2HD ARG 55 -13.364 -2.710 -13.465 423 HD3 ARG 55 1HD ARG 55 -13.010 -4.420 -13.721 424 HE ARG 55 HE ARG 55 -15.116 -3.415 -11.949 425 HH11 ARG 55 1HH1 ARG 55 -14.038 -5.731 -14.398 426 HH12 ARG 55 2HH1 ARG 55 -15.467 -6.632 -14.421 427 HH21 ARG 55 1HH2 ARG 55 -17.095 -4.681 -11.914 428 HH22 ARG 55 2HH2 ARG 55 -17.256 -6.036 -12.918 429 H LEU 56 H LEU 56 -9.633 -1.239 -10.341 430 HA LEU 56 HA LEU 56 -11.844 -0.461 -8.747 431 HB2 LEU 56 2HB LEU 56 -9.780 -1.551 -7.880 432 HB3 LEU 56 1HB LEU 56 -8.923 -0.055 -8.167 433 HG LEU 56 HG LEU 56 -10.275 1.100 -6.521 434 HD11 LEU 56 1HD1 LEU 56 -12.384 -0.067 -6.829 435 HD12 LEU 56 2HD1 LEU 56 -11.882 -0.163 -5.142 436 HD13 LEU 56 3HD1 LEU 56 -11.674 -1.553 -6.201 437 HD21 LEU 56 3HD2 LEU 56 -9.230 -1.534 -5.510 438 HD22 LEU 56 1HD2 LEU 56 -9.553 -0.106 -4.530 439 HD23 LEU 56 2HD2 LEU 56 -8.284 -0.065 -5.754 440 H SER 57 H SER 57 -9.519 1.266 -10.654 441 HA SER 57 HA SER 57 -10.039 3.866 -9.679 442 HB2 SER 57 2HB SER 57 -9.140 2.880 -12.381 443 HB3 SER 57 1HB SER 57 -9.018 4.548 -11.829 444 HG SER 57 HG SER 57 -7.682 2.244 -10.765 445 H ASN 58 H ASN 58 -11.373 1.880 -12.155 446 HA ASN 58 HA ASN 58 -13.362 3.570 -13.267 447 HB2 ASN 58 2HB ASN 58 -12.514 1.430 -14.255 448 HB3 ASN 58 1HB ASN 58 -13.310 0.547 -12.976 449 HD21 ASN 58 1HD2 ASN 58 -13.530 0.302 -15.804 450 HD22 ASN 58 2HD2 ASN 58 -15.178 0.541 -16.250 451 H LEU 59 H LEU 59 -13.323 1.360 -10.545 452 HA LEU 59 HA LEU 59 -16.053 1.467 -9.823 453 HB2 LEU 59 2HB LEU 59 -14.028 -0.094 -9.095 454 HB3 LEU 59 1HB LEU 59 -13.867 1.079 -7.817 455 HG LEU 59 HG LEU 59 -15.062 -0.895 -7.056 456 HD11 LEU 59 1HD1 LEU 59 -17.074 0.106 -6.125 457 HD12 LEU 59 2HD1 LEU 59 -16.893 1.479 -7.215 458 HD13 LEU 59 3HD1 LEU 59 -15.674 1.168 -5.978 459 HD21 LEU 59 3HD2 LEU 59 -15.973 -1.604 -9.164 460 HD22 LEU 59 1HD2 LEU 59 -17.090 -0.241 -9.177 461 HD23 LEU 59 2HD2 LEU 59 -17.248 -1.493 -7.942 462 H ALA 60 H ALA 60 -13.223 3.316 -8.854 463 HA ALA 60 HA ALA 60 -14.395 4.906 -6.847 464 HB1 ALA 60 1HB ALA 60 -11.957 4.686 -7.185 465 HB2 ALA 60 2HB ALA 60 -12.472 6.370 -7.095 466 HB3 ALA 60 3HB ALA 60 -12.096 5.644 -8.659 467 H LEU 61 H LEU 61 -14.427 5.141 -10.289 468 HA LEU 61 HA LEU 61 -15.281 7.807 -10.560 469 HB2 LEU 61 2HB LEU 61 -14.323 6.507 -12.384 470 HB3 LEU 61 1HB LEU 61 -15.727 5.463 -12.238 471 HG LEU 61 HG LEU 61 -17.184 7.304 -12.977 472 HD11 LEU 61 1HD1 LEU 61 -15.875 9.178 -12.218 473 HD12 LEU 61 2HD1 LEU 61 -16.210 9.323 -13.944 474 HD13 LEU 61 3HD1 LEU 61 -14.615 8.807 -13.396 475 HD21 LEU 61 3HD2 LEU 61 -16.361 5.720 -14.628 476 HD22 LEU 61 1HD2 LEU 61 -14.922 6.706 -14.878 477 HD23 LEU 61 2HD2 LEU 61 -16.510 7.330 -15.327 478 H VAL 62 H VAL 62 -16.984 4.750 -10.272 479 HA VAL 62 HA VAL 62 -19.504 6.094 -10.535 480 HB VAL 62 HB VAL 62 -20.591 3.860 -10.277 481 HG11 VAL 62 1HG1 VAL 62 -18.392 3.989 -12.330 482 HG12 VAL 62 2HG1 VAL 62 -19.992 4.716 -12.476 483 HG13 VAL 62 3HG1 VAL 62 -19.820 2.958 -12.416 484 HG21 VAL 62 3HG2 VAL 62 -18.910 2.752 -8.864 485 HG22 VAL 62 1HG2 VAL 62 -17.754 2.829 -10.191 486 HG23 VAL 62 2HG2 VAL 62 -19.197 1.831 -10.344 487 H LYS 63 H LYS 63 -17.872 4.380 -7.856 488 HA LYS 63 HA LYS 63 -19.117 6.149 -6.052 489 HB2 LYS 63 2HB LYS 63 -20.149 4.310 -4.633 490 HB3 LYS 63 1HB LYS 63 -21.068 4.842 -6.046 491 HG2 LYS 63 2HG LYS 63 -20.284 2.815 -7.213 492 HG3 LYS 63 1HG LYS 63 -19.404 2.341 -5.751 493 HD2 LYS 63 2HD LYS 63 -21.547 2.404 -4.510 494 HD3 LYS 63 1HD LYS 63 -22.381 2.725 -6.031 495 HE2 LYS 63 2HE LYS 63 -20.616 0.400 -5.533 496 HE3 LYS 63 1HE LYS 63 -22.363 0.338 -5.239 497 HZ1 LYS 63 3HZ LYS 63 -21.839 -0.605 -7.400 498 HZ2 LYS 63 1HZ LYS 63 -21.008 0.763 -7.886 499 HZ3 LYS 63 2HZ LYS 63 -22.656 0.837 -7.659 500 HA PRO 64 HA PRO 64 -15.078 5.132 -4.560 501 HB2 PRO 64 2HB PRO 64 -14.815 7.263 -2.933 502 HB3 PRO 64 1HB PRO 64 -14.678 7.381 -4.692 503 HG2 PRO 64 2HG PRO 64 -17.010 8.020 -2.928 504 HG3 PRO 64 1HG PRO 64 -16.362 8.936 -4.298 505 HD2 PRO 64 2HD PRO 64 -18.527 7.335 -4.492 506 HD3 PRO 64 1HD PRO 64 -17.411 7.604 -5.850 507 H GLU 65 H GLU 65 -17.970 5.003 -2.725 508 HA GLU 65 HA GLU 65 -16.635 4.801 -0.181 509 HB2 GLU 65 2HB GLU 65 -19.476 4.174 -0.941 510 HB3 GLU 65 1HB GLU 65 -18.841 3.973 0.683 511 HG2 GLU 65 2HG GLU 65 -18.292 6.342 0.760 512 HG3 GLU 65 1HG GLU 65 -18.980 6.564 -0.842 513 H LYS 66 H LYS 66 -17.703 2.679 -2.634 514 HA LYS 66 HA LYS 66 -17.223 0.334 -1.036 515 HB2 LYS 66 2HB LYS 66 -17.404 0.381 -4.038 516 HB3 LYS 66 1HB LYS 66 -17.821 -0.931 -2.947 517 HG2 LYS 66 2HG LYS 66 -19.366 1.618 -3.429 518 HG3 LYS 66 1HG LYS 66 -19.830 -0.036 -3.817 519 HD2 LYS 66 2HD LYS 66 -19.465 1.023 -1.011 520 HD3 LYS 66 1HD LYS 66 -21.013 0.909 -1.839 521 HE2 LYS 66 2HE LYS 66 -20.682 -1.505 -2.052 522 HE3 LYS 66 1HE LYS 66 -19.171 -1.371 -1.157 523 HZ1 LYS 66 3HZ LYS 66 -20.399 -0.516 0.723 524 HZ2 LYS 66 1HZ LYS 66 -20.986 -2.038 0.274 525 HZ3 LYS 66 2HZ LYS 66 -21.851 -0.630 -0.117 526 H THR 67 H THR 67 -15.507 2.378 -3.272 527 HA THR 67 HA THR 67 -13.296 0.844 -3.876 528 HB THR 67 HB THR 67 -13.333 3.809 -3.379 529 HG1 THR 67 1HG THR 67 -14.013 2.606 -5.852 530 HG21 THR 67 3HG2 THR 67 -11.157 2.765 -3.979 531 HG22 THR 67 1HG2 THR 67 -11.737 3.867 -5.231 532 HG23 THR 67 2HG2 THR 67 -11.902 2.128 -5.449 533 H LYS 68 H LYS 68 -13.785 3.245 -1.228 534 HA LYS 68 HA LYS 68 -11.259 2.761 -0.104 535 HB2 LYS 68 2HB LYS 68 -11.910 4.030 1.829 536 HB3 LYS 68 1HB LYS 68 -12.489 4.831 0.387 537 HG2 LYS 68 2HG LYS 68 -14.730 4.180 0.847 538 HG3 LYS 68 1HG LYS 68 -14.206 3.122 2.166 539 HD2 LYS 68 2HD LYS 68 -13.257 5.109 3.314 540 HD3 LYS 68 1HD LYS 68 -13.936 6.125 2.048 541 HE2 LYS 68 2HE LYS 68 -15.524 4.275 3.775 542 HE3 LYS 68 1HE LYS 68 -15.291 5.992 4.143 543 HZ1 LYS 68 3HZ LYS 68 -16.665 4.820 1.792 544 HZ2 LYS 68 1HZ LYS 68 -16.388 6.484 2.021 545 HZ3 LYS 68 2HZ LYS 68 -17.371 5.635 3.093 546 H ALA 69 H ALA 69 -14.257 1.119 0.295 547 HA ALA 69 HA ALA 69 -13.680 -0.270 2.669 548 HB1 ALA 69 1HB ALA 69 -15.473 -1.754 1.998 549 HB2 ALA 69 2HB ALA 69 -15.401 -1.126 0.352 550 HB3 ALA 69 3HB ALA 69 -15.930 -0.079 1.663 551 H VAL 70 H VAL 70 -13.356 -1.204 -0.773 552 HA VAL 70 HA VAL 70 -12.072 -3.620 -0.065 553 HB VAL 70 HB VAL 70 -11.492 -3.913 -2.463 554 HG11 VAL 70 1HG1 VAL 70 -13.653 -4.651 -1.635 555 HG12 VAL 70 2HG1 VAL 70 -13.751 -4.104 -3.306 556 HG13 VAL 70 3HG1 VAL 70 -14.335 -3.065 -2.004 557 HG21 VAL 70 3HG2 VAL 70 -11.111 -1.600 -3.083 558 HG22 VAL 70 1HG2 VAL 70 -12.814 -1.232 -2.811 559 HG23 VAL 70 2HG2 VAL 70 -12.347 -2.323 -4.113 560 H GLU 71 H GLU 71 -10.829 -0.439 -0.946 561 HA GLU 71 HA GLU 71 -8.155 -1.232 -1.171 562 HB2 GLU 71 2HB GLU 71 -9.354 1.412 -0.378 563 HB3 GLU 71 1HB GLU 71 -7.617 1.183 -0.534 564 HG2 GLU 71 2HG GLU 71 -8.074 0.429 -2.894 565 HG3 GLU 71 1HG GLU 71 -9.734 0.970 -2.645 566 H ASN 72 H ASN 72 -10.036 -0.283 1.651 567 HA ASN 72 HA ASN 72 -7.923 -0.354 3.513 568 HB2 ASN 72 2HB ASN 72 -10.330 0.556 3.780 569 HB3 ASN 72 1HB ASN 72 -10.762 -1.109 4.143 570 HD21 ASN 72 1HD2 ASN 72 -9.218 1.711 5.220 571 HD22 ASN 72 2HD2 ASN 72 -8.862 1.201 6.831 572 H TYR 73 H TYR 73 -10.103 -2.712 2.188 573 HA TYR 73 HA TYR 73 -9.572 -4.820 3.955 574 HB2 TYR 73 2HB TYR 73 -11.542 -4.530 2.360 575 HB3 TYR 73 1HB TYR 73 -10.475 -5.128 1.102 576 HD1 TYR 73 2HD TYR 73 -9.709 -7.476 1.139 577 HD2 TYR 73 1HD TYR 73 -12.432 -5.964 4.029 578 HE1 TYR 73 2HE TYR 73 -10.294 -9.777 1.782 579 HE2 TYR 73 1HE TYR 73 -13.041 -8.218 4.680 580 HH TYR 73 HH TYR 73 -11.221 -10.903 3.846 581 H LEU 74 H LEU 74 -8.227 -3.980 0.742 582 HA LEU 74 HA LEU 74 -6.558 -6.231 0.524 583 HB2 LEU 74 2HB LEU 74 -6.428 -3.547 -0.805 584 HB3 LEU 74 1HB LEU 74 -5.056 -4.630 -0.922 585 HG LEU 74 HG LEU 74 -6.382 -4.792 -2.916 586 HD11 LEU 74 1HD1 LEU 74 -5.307 -6.809 -2.158 587 HD12 LEU 74 2HD1 LEU 74 -6.809 -7.154 -3.014 588 HD13 LEU 74 3HD1 LEU 74 -6.759 -7.254 -1.257 589 HD21 LEU 74 3HD2 LEU 74 -8.553 -4.093 -2.071 590 HD22 LEU 74 1HD2 LEU 74 -8.696 -5.600 -1.167 591 HD23 LEU 74 2HD2 LEU 74 -8.676 -5.629 -2.932 592 H ILE 75 H ILE 75 -5.968 -3.161 2.102 593 HA ILE 75 HA ILE 75 -3.246 -3.331 2.693 594 HB ILE 75 HB ILE 75 -5.412 -2.417 4.623 595 HG12 ILE 75 2HG1 ILE 75 -3.908 -0.751 2.590 596 HG13 ILE 75 1HG1 ILE 75 -5.578 -1.292 2.413 597 HG21 ILE 75 1HG2 ILE 75 -2.487 -1.673 4.455 598 HG22 ILE 75 2HG2 ILE 75 -3.232 -2.689 5.683 599 HG23 ILE 75 3HG2 ILE 75 -3.657 -0.979 5.579 600 HD11 ILE 75 3HD1 ILE 75 -6.181 -0.006 4.415 601 HD12 ILE 75 1HD1 ILE 75 -5.484 1.015 3.150 602 HD13 ILE 75 2HD1 ILE 75 -4.516 0.530 4.548 603 H GLN 76 H GLN 76 -6.069 -4.672 4.325 604 HA GLN 76 HA GLN 76 -4.664 -5.931 6.479 605 HB2 GLN 76 2HB GLN 76 -7.472 -6.451 5.519 606 HB3 GLN 76 1HB GLN 76 -6.805 -6.850 7.092 607 HG2 GLN 76 2HG GLN 76 -6.546 -4.459 7.555 608 HG3 GLN 76 1HG GLN 76 -7.296 -4.090 6.001 609 HE21 GLN 76 1HE2 GLN 76 -9.076 -3.053 6.863 610 HE22 GLN 76 2HE2 GLN 76 -10.286 -3.880 7.774 611 H MET 77 H MET 77 -6.201 -7.041 3.498 612 HA MET 77 HA MET 77 -5.932 -9.789 4.026 613 HB2 MET 77 2HB MET 77 -7.447 -8.593 2.311 614 HB3 MET 77 1HB MET 77 -6.043 -8.658 1.250 615 HG2 MET 77 2HG MET 77 -5.988 -11.101 1.526 616 HG3 MET 77 1HG MET 77 -7.450 -11.005 2.498 617 HE1 MET 77 3HE MET 77 -6.293 -9.217 -0.841 618 HE2 MET 77 1HE MET 77 -7.158 -10.194 -2.028 619 HE3 MET 77 2HE MET 77 -5.878 -10.915 -1.057 620 H ALA 78 H ALA 78 -3.849 -7.536 2.238 621 HA ALA 78 HA ALA 78 -2.018 -9.484 1.299 622 HB1 ALA 78 1HB ALA 78 -0.504 -7.590 0.917 623 HB2 ALA 78 2HB ALA 78 -1.559 -6.554 1.878 624 HB3 ALA 78 3HB ALA 78 -2.135 -7.224 0.352 625 H ARG 79 H ARG 79 -2.295 -7.645 4.230 626 HA ARG 79 HA ARG 79 0.199 -8.060 5.399 627 HB2 ARG 79 2HB ARG 79 -1.360 -6.417 6.224 628 HB3 ARG 79 1HB ARG 79 -2.525 -7.667 6.617 629 HG2 ARG 79 2HG ARG 79 -0.989 -8.520 8.329 630 HG3 ARG 79 1HG ARG 79 0.128 -7.202 7.963 631 HD2 ARG 79 2HD ARG 79 -1.562 -5.571 8.542 632 HD3 ARG 79 1HD ARG 79 -2.731 -6.853 8.844 633 HE ARG 79 HE ARG 79 -0.608 -7.386 10.474 634 HH11 ARG 79 1HH1 ARG 79 -2.924 -4.734 10.073 635 HH12 ARG 79 2HH1 ARG 79 -2.824 -4.209 11.692 636 HH21 ARG 79 1HH2 ARG 79 -0.475 -6.633 12.727 637 HH22 ARG 79 2HH2 ARG 79 -1.435 -5.291 13.209 638 H TYR 80 H TYR 80 -2.661 -10.133 5.336 639 HA TYR 80 HA TYR 80 -1.377 -11.953 7.188 640 HB2 TYR 80 2HB TYR 80 -4.142 -11.953 5.998 641 HB3 TYR 80 1HB TYR 80 -3.529 -13.280 6.981 642 HD1 TYR 80 1HD TYR 80 -2.837 -12.825 9.348 643 HD2 TYR 80 2HD TYR 80 -4.931 -9.957 7.019 644 HE1 TYR 80 1HE TYR 80 -3.447 -11.618 11.399 645 HE2 TYR 80 2HE TYR 80 -5.546 -8.739 9.062 646 HH TYR 80 HH TYR 80 -5.843 -9.276 11.469 647 H GLY 81 H GLY 81 -0.654 -11.498 4.195 648 HA2 GLY 81 2HA GLY 81 0.676 -12.855 2.900 649 HA3 GLY 81 1HA GLY 81 0.305 -14.191 3.973 650 H GLN 82 H GLN 82 -2.277 -12.392 2.536 651 HA GLN 82 HA GLN 82 -3.049 -14.738 0.992 652 HB2 GLN 82 2HB GLN 82 -4.338 -12.080 1.466 653 HB3 GLN 82 1HB GLN 82 -5.066 -13.311 0.437 654 HG2 GLN 82 2HG GLN 82 -4.437 -13.607 3.374 655 HG3 GLN 82 1HG GLN 82 -6.035 -13.287 2.700 656 HE21 GLN 82 1HE2 GLN 82 -7.114 -14.935 1.623 657 HE22 GLN 82 2HE2 GLN 82 -6.615 -16.585 1.729 658 H LEU 83 H LEU 83 -0.909 -12.553 0.514 659 HA LEU 83 HA LEU 83 -1.507 -12.015 -2.294 660 HB2 LEU 83 2HB LEU 83 -1.244 -10.058 -0.881 661 HB3 LEU 83 1HB LEU 83 0.305 -10.653 -0.322 662 HG LEU 83 HG LEU 83 1.219 -10.312 -2.597 663 HD11 LEU 83 1HD1 LEU 83 -0.817 -10.545 -3.892 664 HD12 LEU 83 2HD1 LEU 83 -0.084 -8.969 -4.192 665 HD13 LEU 83 3HD1 LEU 83 -1.491 -9.106 -3.135 666 HD21 LEU 83 3HD2 LEU 83 -0.113 -7.940 -1.335 667 HD22 LEU 83 1HD2 LEU 83 1.252 -7.863 -2.454 668 HD23 LEU 83 2HD2 LEU 83 1.435 -8.627 -0.865 669 H SER 84 H SER 84 -0.767 -14.020 -2.987 670 HA SER 84 HA SER 84 2.017 -14.710 -2.496 671 HB2 SER 84 2HB SER 84 -0.119 -16.145 -4.107 672 HB3 SER 84 1HB SER 84 1.439 -16.809 -3.605 673 HG SER 84 HG SER 84 0.665 -16.270 -1.406 674 H GLU 85 H GLU 85 -0.113 -13.275 -4.701 675 HA GLU 85 HA GLU 85 1.876 -12.355 -6.476 676 HB2 GLU 85 2HB GLU 85 1.615 -14.386 -7.566 677 HB3 GLU 85 1HB GLU 85 -0.125 -14.498 -7.300 678 HG2 GLU 85 2HG GLU 85 0.347 -14.141 -9.636 679 HG3 GLU 85 1HG GLU 85 -0.362 -12.668 -8.988 680 H LYS 86 H LYS 86 0.757 -10.887 -7.917 681 HA LYS 86 HA LYS 86 -0.805 -9.052 -6.542 682 HB2 LYS 86 2HB LYS 86 -0.518 -9.466 -9.498 683 HB3 LYS 86 1HB LYS 86 -1.250 -8.065 -8.745 684 HG2 LYS 86 2HG LYS 86 0.812 -7.467 -7.704 685 HG3 LYS 86 1HG LYS 86 1.581 -8.943 -8.299 686 HD2 LYS 86 2HD LYS 86 0.378 -6.917 -10.169 687 HD3 LYS 86 1HD LYS 86 2.016 -6.740 -9.554 688 HE2 LYS 86 2HE LYS 86 2.085 -7.758 -11.723 689 HE3 LYS 86 1HE LYS 86 2.590 -8.921 -10.509 690 HZ1 LYS 86 3HZ LYS 86 0.498 -10.072 -10.731 691 HZ2 LYS 86 1HZ LYS 86 1.152 -9.860 -12.253 692 HZ3 LYS 86 2HZ LYS 86 -0.131 -8.888 -11.780 693 H VAL 87 H VAL 87 -2.837 -8.883 -6.126 694 HA VAL 87 HA VAL 87 -4.668 -10.963 -6.657 695 HB VAL 87 HB VAL 87 -5.174 -8.167 -5.592 696 HG11 VAL 87 1HG1 VAL 87 -6.867 -10.658 -5.380 697 HG12 VAL 87 2HG1 VAL 87 -7.233 -9.237 -6.359 698 HG13 VAL 87 3HG1 VAL 87 -7.215 -9.115 -4.601 699 HG21 VAL 87 3HG2 VAL 87 -3.559 -9.359 -4.222 700 HG22 VAL 87 1HG2 VAL 87 -4.651 -10.739 -4.108 701 HG23 VAL 87 2HG2 VAL 87 -5.091 -9.202 -3.364 702 H SER 88 H SER 88 -5.690 -11.265 -8.435 703 HA SER 88 HA SER 88 -5.564 -9.376 -10.568 704 HB2 SER 88 2HB SER 88 -6.871 -12.087 -10.405 705 HB3 SER 88 1HB SER 88 -6.486 -11.193 -11.878 706 HG SER 88 HG SER 88 -4.318 -11.309 -10.383 707 H GLU 89 H GLU 89 -7.685 -9.325 -11.959 708 HA GLU 89 HA GLU 89 -9.478 -7.576 -10.815 709 HB2 GLU 89 2HB GLU 89 -9.899 -9.450 -13.134 710 HB3 GLU 89 1HB GLU 89 -10.923 -8.056 -12.778 711 HG2 GLU 89 2HG GLU 89 -9.019 -6.600 -13.156 712 HG3 GLU 89 1HG GLU 89 -7.999 -8.007 -13.444 713 H GLN 90 H GLN 90 -9.910 -11.049 -11.345 714 HA GLN 90 HA GLN 90 -12.487 -11.252 -10.289 715 HB2 GLN 90 2HB GLN 90 -12.130 -13.646 -10.242 716 HB3 GLN 90 1HB GLN 90 -11.421 -12.973 -11.703 717 HG2 GLN 90 2HG GLN 90 -9.195 -13.037 -10.560 718 HG3 GLN 90 1HG GLN 90 -9.979 -13.846 -9.216 719 HE21 GLN 90 1HE2 GLN 90 -10.782 -14.445 -12.590 720 HE22 GLN 90 2HE2 GLN 90 -10.168 -16.044 -12.607 721 H GLY 91 H GLY 91 -9.397 -11.096 -8.694 722 HA2 GLY 91 2HA GLY 91 -10.283 -12.219 -6.199 723 HA3 GLY 91 1HA GLY 91 -8.763 -11.375 -6.491 724 H LEU 92 H LEU 92 -9.746 -9.019 -7.533 725 HA LEU 92 HA LEU 92 -10.432 -7.547 -5.215 726 HB2 LEU 92 2HB LEU 92 -9.232 -6.518 -7.057 727 HB3 LEU 92 1HB LEU 92 -10.583 -6.805 -8.138 728 HG LEU 92 HG LEU 92 -11.952 -5.269 -6.698 729 HD11 LEU 92 1HD1 LEU 92 -9.298 -4.621 -5.450 730 HD12 LEU 92 2HD1 LEU 92 -10.677 -5.384 -4.655 731 HD13 LEU 92 3HD1 LEU 92 -10.795 -3.718 -5.224 732 HD21 LEU 92 3HD2 LEU 92 -11.010 -3.239 -7.626 733 HD22 LEU 92 1HD2 LEU 92 -10.972 -4.543 -8.807 734 HD23 LEU 92 2HD2 LEU 92 -9.493 -4.075 -7.967 735 H ILE 93 H ILE 93 -12.246 -8.535 -8.070 736 HA ILE 93 HA ILE 93 -14.717 -7.425 -7.372 737 HB ILE 93 HB ILE 93 -14.025 -9.776 -9.152 738 HG12 ILE 93 2HG1 ILE 93 -14.845 -6.939 -9.823 739 HG13 ILE 93 1HG1 ILE 93 -13.192 -7.541 -9.814 740 HG21 ILE 93 1HG2 ILE 93 -16.285 -9.603 -10.101 741 HG22 ILE 93 2HG2 ILE 93 -16.705 -8.414 -8.861 742 HG23 ILE 93 3HG2 ILE 93 -16.304 -10.069 -8.398 743 HD11 ILE 93 3HD1 ILE 93 -14.105 -7.413 -12.065 744 HD12 ILE 93 1HD1 ILE 93 -15.403 -8.516 -11.606 745 HD13 ILE 93 2HD1 ILE 93 -13.725 -9.074 -11.613 746 H GLU 94 H GLU 94 -13.177 -10.381 -6.446 747 HA GLU 94 HA GLU 94 -15.354 -11.779 -5.388 748 HB2 GLU 94 2HB GLU 94 -13.096 -12.717 -5.818 749 HB3 GLU 94 1HB GLU 94 -12.474 -11.780 -4.470 750 HG2 GLU 94 2HG GLU 94 -12.836 -14.060 -3.811 751 HG3 GLU 94 1HG GLU 94 -13.957 -12.974 -2.974 752 H ILE 95 H ILE 95 -13.040 -9.561 -3.913 753 HA ILE 95 HA ILE 95 -14.206 -9.520 -1.313 754 HB ILE 95 HB ILE 95 -12.387 -7.466 -2.658 755 HG12 ILE 95 2HG1 ILE 95 -11.621 -9.693 -0.772 756 HG13 ILE 95 1HG1 ILE 95 -11.507 -9.829 -2.524 757 HG21 ILE 95 1HG2 ILE 95 -11.831 -6.708 -0.462 758 HG22 ILE 95 2HG2 ILE 95 -12.923 -7.879 0.260 759 HG23 ILE 95 3HG2 ILE 95 -13.570 -6.567 -0.724 760 HD11 ILE 95 3HD1 ILE 95 -9.367 -9.271 -1.484 761 HD12 ILE 95 1HD1 ILE 95 -10.077 -7.796 -0.831 762 HD13 ILE 95 2HD1 ILE 95 -9.915 -8.001 -2.576 763 H LEU 96 H LEU 96 -14.390 -7.496 -4.159 764 HA LEU 96 HA LEU 96 -15.841 -5.343 -3.267 765 HB2 LEU 96 2HB LEU 96 -14.763 -5.519 -5.465 766 HB3 LEU 96 1HB LEU 96 -15.992 -6.672 -5.952 767 HG LEU 96 HG LEU 96 -17.705 -4.900 -5.720 768 HD11 LEU 96 1HD1 LEU 96 -15.338 -3.089 -5.267 769 HD12 LEU 96 2HD1 LEU 96 -16.601 -3.470 -4.099 770 HD13 LEU 96 3HD1 LEU 96 -16.995 -2.560 -5.552 771 HD21 LEU 96 3HD2 LEU 96 -15.416 -4.256 -7.572 772 HD22 LEU 96 1HD2 LEU 96 -17.078 -3.696 -7.755 773 HD23 LEU 96 2HD2 LEU 96 -16.704 -5.415 -7.887 774 H LYS 97 H LYS 97 -17.077 -8.393 -4.586 775 HA LYS 97 HA LYS 97 -19.789 -7.696 -4.543 776 HB2 LYS 97 2HB LYS 97 -18.475 -10.369 -4.302 777 HB3 LYS 97 1HB LYS 97 -20.214 -10.182 -4.510 778 HG2 LYS 97 2HG LYS 97 -19.825 -9.062 -6.658 779 HG3 LYS 97 1HG LYS 97 -18.090 -9.249 -6.436 780 HD2 LYS 97 2HD LYS 97 -20.025 -11.568 -6.603 781 HD3 LYS 97 1HD LYS 97 -19.171 -10.914 -7.993 782 HE2 LYS 97 2HE LYS 97 -17.941 -12.813 -7.307 783 HE3 LYS 97 1HE LYS 97 -17.019 -11.429 -6.742 784 HZ1 LYS 97 3HZ LYS 97 -18.796 -13.147 -5.093 785 HZ2 LYS 97 1HZ LYS 97 -17.922 -11.852 -4.476 786 HZ3 LYS 97 2HZ LYS 97 -17.129 -13.173 -5.055 787 H LYS 98 H LYS 98 -17.854 -9.293 -2.021 788 HA LYS 98 HA LYS 98 -20.155 -9.428 -0.401 789 HB2 LYS 98 2HB LYS 98 -18.696 -10.322 1.429 790 HB3 LYS 98 1HB LYS 98 -18.659 -11.222 -0.064 791 HG2 LYS 98 2HG LYS 98 -16.470 -11.252 0.656 792 HG3 LYS 98 1HG LYS 98 -16.480 -9.956 -0.532 793 HD2 LYS 98 2HD LYS 98 -16.503 -8.292 1.166 794 HD3 LYS 98 1HD LYS 98 -16.814 -9.491 2.422 795 HE2 LYS 98 2HE LYS 98 -14.316 -9.306 0.748 796 HE3 LYS 98 1HE LYS 98 -14.466 -8.769 2.418 797 HZ1 LYS 98 3HZ LYS 98 -14.522 -11.564 1.391 798 HZ2 LYS 98 1HZ LYS 98 -15.091 -11.158 2.929 799 HZ3 LYS 98 2HZ LYS 98 -13.507 -10.879 2.564 800 H VAL 99 H VAL 99 -17.719 -6.998 -0.686 801 HA VAL 99 HA VAL 99 -18.750 -5.660 1.671 802 HB VAL 99 HB VAL 99 -17.331 -3.758 1.170 803 HG11 VAL 99 1HG1 VAL 99 -16.225 -5.601 2.266 804 HG12 VAL 99 2HG1 VAL 99 -15.120 -4.711 1.227 805 HG13 VAL 99 3HG1 VAL 99 -15.753 -6.271 0.698 806 HG21 VAL 99 3HG2 VAL 99 -17.605 -3.632 -1.233 807 HG22 VAL 99 1HG2 VAL 99 -16.665 -5.111 -1.426 808 HG23 VAL 99 2HG2 VAL 99 -15.893 -3.646 -0.806 809 H SER 100 H SER 100 -19.570 -5.889 -1.608 810 HA SER 100 HA SER 100 -20.833 -3.443 -2.031 811 HB2 SER 100 2HB SER 100 -20.226 -5.077 -3.827 812 HB3 SER 100 1HB SER 100 -21.506 -6.141 -3.254 813 HG SER 100 HG SER 100 -22.016 -4.771 -5.072 814 H GLN 101 H GLN 101 -22.072 -6.559 -0.924 815 HA GLN 101 HA GLN 101 -24.625 -5.362 -0.356 816 HB2 GLN 101 2HB GLN 101 -23.593 -8.167 -0.100 817 HB3 GLN 101 1HB GLN 101 -25.089 -7.703 0.688 818 HG2 GLN 101 2HG GLN 101 -25.509 -8.777 -1.465 819 HG3 GLN 101 1HG GLN 101 -26.058 -7.107 -1.472 820 HE21 GLN 101 1HE2 GLN 101 -25.035 -5.637 -2.800 821 HE22 GLN 101 2HE2 GLN 101 -23.946 -6.115 -4.040 822 H GLN 102 H GLN 102 -22.668 -7.377 1.798 823 HA GLN 102 HA GLN 102 -22.303 -5.339 3.683 824 HB2 GLN 102 2HB GLN 102 -23.734 -6.230 5.507 825 HB3 GLN 102 1HB GLN 102 -24.616 -5.459 4.199 826 HG2 GLN 102 2HG GLN 102 -25.216 -7.581 3.294 827 HG3 GLN 102 1HG GLN 102 -24.144 -8.351 4.475 828 HE21 GLN 102 1HE2 GLN 102 -24.836 -8.597 6.557 829 HE22 GLN 102 2HE2 GLN 102 -26.468 -8.301 7.049 830 H THR 103 H THR 103 -20.476 -5.794 4.308 831 HA THR 103 HA THR 103 -19.986 -7.936 6.104 832 HB THR 103 HB THR 103 -18.250 -7.810 3.582 833 HG1 THR 103 1HG THR 103 -20.438 -9.092 3.827 834 HG21 THR 103 3HG2 THR 103 -16.915 -8.261 5.561 835 HG22 THR 103 1HG2 THR 103 -17.050 -9.714 4.571 836 HG23 THR 103 2HG2 THR 103 -18.021 -9.552 6.038 837 H GLU 104 H GLU 104 -18.101 -5.866 3.980 838 HA GLU 104 HA GLU 104 -17.355 -4.117 6.193 839 HB2 GLU 104 2HB GLU 104 -15.536 -5.571 4.272 840 HB3 GLU 104 1HB GLU 104 -14.986 -4.081 5.007 841 HG2 GLU 104 2HG GLU 104 -15.890 -6.518 6.520 842 HG3 GLU 104 1HG GLU 104 -14.211 -6.114 6.163 843 H LYS 105 H LYS 105 -19.305 -3.502 4.824 844 HA LYS 105 HA LYS 105 -19.256 -2.795 2.164 845 HB2 LYS 105 2HB LYS 105 -21.323 -1.548 2.574 846 HB3 LYS 105 1HB LYS 105 -21.309 -3.140 3.304 847 HG2 LYS 105 2HG LYS 105 -20.848 -2.135 5.493 848 HG3 LYS 105 1HG LYS 105 -20.873 -0.531 4.750 849 HD2 LYS 105 2HD LYS 105 -23.183 -0.966 3.990 850 HD3 LYS 105 1HD LYS 105 -23.157 -2.499 4.852 851 HE2 LYS 105 2HE LYS 105 -22.843 -1.326 6.961 852 HE3 LYS 105 1HE LYS 105 -22.797 0.219 6.114 853 HZ1 LYS 105 3HZ LYS 105 -24.976 -0.168 7.057 854 HZ2 LYS 105 1HZ LYS 105 -25.120 -1.628 6.210 855 HZ3 LYS 105 2HZ LYS 105 -25.067 -0.175 5.368 856 H THR 106 H THR 106 -18.156 -0.810 4.786 857 HA THR 106 HA THR 106 -16.955 1.018 2.920 858 HB THR 106 HB THR 106 -19.272 1.964 3.310 859 HG1 THR 106 1HG THR 106 -18.033 3.897 4.658 860 HG21 THR 106 3HG2 THR 106 -19.873 2.859 5.526 861 HG22 THR 106 1HG2 THR 106 -18.400 2.165 6.200 862 HG23 THR 106 2HG2 THR 106 -19.663 1.111 5.571 863 H THR 107 H THR 107 -16.239 -1.093 4.743 864 HA THR 107 HA THR 107 -15.107 -1.752 6.535 865 HB THR 107 HB THR 107 -14.226 1.140 6.682 866 HG1 THR 107 1HG THR 107 -13.278 -1.102 5.229 867 HG21 THR 107 3HG2 THR 107 -12.937 -1.351 7.851 868 HG22 THR 107 1HG2 THR 107 -13.746 -0.082 8.772 869 HG23 THR 107 2HG2 THR 107 -12.249 0.272 7.914 870 H THR 108 H THR 108 -16.488 -2.372 8.076 871 HA THR 108 HA THR 108 -18.512 -0.637 8.894 872 HB THR 108 HB THR 108 -19.198 -2.537 10.391 873 HG1 THR 108 1HG THR 108 -16.999 -3.802 9.074 874 HG21 THR 108 3HG2 THR 108 -18.825 -3.074 7.445 875 HG22 THR 108 1HG2 THR 108 -20.170 -2.211 8.185 876 HG23 THR 108 2HG2 THR 108 -19.953 -3.933 8.493 877 H VAL 109 H VAL 109 -19.245 -0.466 11.110 878 HA VAL 109 HA VAL 109 -19.128 0.738 12.884 879 HB VAL 109 HB VAL 109 -17.965 -0.189 14.863 880 HG11 VAL 109 1HG1 VAL 109 -19.076 -2.381 14.824 881 HG12 VAL 109 2HG1 VAL 109 -19.337 -2.192 13.091 882 HG13 VAL 109 3HG1 VAL 109 -20.096 -1.074 14.223 883 HG21 VAL 109 3HG2 VAL 109 -16.755 -2.185 12.923 884 HG22 VAL 109 1HG2 VAL 109 -16.683 -2.299 14.683 885 HG23 VAL 109 2HG2 VAL 109 -15.865 -0.977 13.851 886 H LYS 110 H LYS 110 -18.456 2.330 11.578 887 HA LYS 110 HA LYS 110 -16.184 3.747 12.664 888 HB2 LYS 110 2HB LYS 110 -15.527 2.242 10.611 889 HB3 LYS 110 1HB LYS 110 -16.461 3.392 9.691 890 HG2 LYS 110 2HG LYS 110 -14.199 4.030 9.509 891 HG3 LYS 110 1HG LYS 110 -15.000 5.199 10.553 892 HD2 LYS 110 2HD LYS 110 -12.847 4.692 11.506 893 HD3 LYS 110 1HD LYS 110 -14.076 3.978 12.535 894 HE2 LYS 110 2HE LYS 110 -12.664 2.374 10.403 895 HE3 LYS 110 1HE LYS 110 -11.955 2.593 11.988 896 HZ1 LYS 110 3HZ LYS 110 -13.110 0.507 11.907 897 HZ2 LYS 110 1HZ LYS 110 -14.573 1.186 11.439 898 HZ3 LYS 110 2HZ LYS 110 -13.932 1.487 12.949 899 H PHE 111 H PHE 111 -17.127 5.765 12.987 900 HA PHE 111 HA PHE 111 -19.094 6.525 10.992 901 HB2 PHE 111 2HB PHE 111 -20.243 7.976 12.651 902 HB3 PHE 111 1HB PHE 111 -20.308 6.277 13.069 903 HD1 PHE 111 2HD PHE 111 -19.035 9.575 13.999 904 HD2 PHE 111 1HD PHE 111 -19.166 5.462 15.042 905 HE1 PHE 111 2HE PHE 111 -18.245 10.129 16.265 906 HE2 PHE 111 1HE PHE 111 -18.379 6.009 17.309 907 HZ PHE 111 HZ PHE 111 -17.918 8.346 17.918 908 H ASN 112 H ASN 112 -18.660 8.044 9.749 909 HA ASN 112 HA ASN 112 -17.476 10.490 10.463 910 HB2 ASN 112 2HB ASN 112 -15.403 9.016 10.285 911 HB3 ASN 112 1HB ASN 112 -15.846 8.718 8.609 912 HD21 ASN 112 1HD2 ASN 112 -15.863 10.511 7.169 913 HD22 ASN 112 2HD2 ASN 112 -14.857 11.890 7.458 Start of MODEL 6 1 H1 GLY 0 1HT GLY 0 3.079 21.434 33.706 2 H2 GLY 0 2HT GLY 0 1.793 20.947 34.693 3 H3 GLY 0 3HT GLY 0 3.334 21.235 35.362 4 HA2 GLY 0 1HA GLY 0 1.745 23.069 35.747 5 HA3 GLY 0 2HA GLY 0 3.210 23.529 34.877 6 H SER 1 H SER 1 2.527 25.095 33.542 7 HA SER 1 HA SER 1 0.064 24.893 32.112 8 HB2 SER 1 2HB SER 1 2.410 26.758 31.707 9 HB3 SER 1 1HB SER 1 0.751 27.022 31.172 10 HG SER 1 HG SER 1 1.751 27.897 33.300 11 H ALA 2 H ALA 2 0.006 23.318 30.597 12 HA ALA 2 HA ALA 2 2.123 21.941 29.444 13 HB1 ALA 2 1HB ALA 2 0.530 21.047 27.842 14 HB2 ALA 2 2HB ALA 2 -0.609 22.334 28.243 15 HB3 ALA 2 3HB ALA 2 -0.183 21.127 29.452 16 H ASP 3 H ASP 3 0.411 24.709 28.221 17 HA ASP 3 HA ASP 3 1.489 24.805 25.655 18 HB2 ASP 3 2HB ASP 3 0.451 27.027 27.410 19 HB3 ASP 3 1HB ASP 3 0.772 27.139 25.683 20 H GLU 4 H GLU 4 2.493 26.308 28.663 21 HA GLU 4 HA GLU 4 4.714 27.656 27.505 22 HB2 GLU 4 2HB GLU 4 3.874 27.149 30.354 23 HB3 GLU 4 1HB GLU 4 5.399 27.916 29.979 24 HG2 GLU 4 2HG GLU 4 3.656 29.544 30.560 25 HG3 GLU 4 1HG GLU 4 4.279 29.788 28.942 26 H GLU 5 H GLU 5 4.272 24.607 29.202 27 HA GLU 5 HA GLU 5 6.976 23.878 29.431 28 HB2 GLU 5 2HB GLU 5 4.536 22.119 29.113 29 HB3 GLU 5 1HB GLU 5 6.135 21.517 29.511 30 HG2 GLU 5 2HG GLU 5 6.114 22.824 31.574 31 HG3 GLU 5 1HG GLU 5 4.503 23.423 31.172 32 H LEU 6 H LEU 6 4.698 23.521 26.796 33 HA LEU 6 HA LEU 6 6.248 21.929 25.086 34 HB2 LEU 6 2HB LEU 6 3.842 22.356 24.785 35 HB3 LEU 6 1HB LEU 6 4.177 24.032 24.426 36 HG LEU 6 HG LEU 6 5.357 23.333 22.364 37 HD11 LEU 6 1HD1 LEU 6 4.412 20.572 23.118 38 HD12 LEU 6 2HD1 LEU 6 6.089 21.120 23.031 39 HD13 LEU 6 3HD1 LEU 6 5.110 21.030 21.567 40 HD21 LEU 6 3HD2 LEU 6 2.549 22.277 22.644 41 HD22 LEU 6 1HD2 LEU 6 3.351 22.668 21.125 42 HD23 LEU 6 2HD2 LEU 6 2.996 23.947 22.286 43 H GLU 7 H GLU 7 5.856 25.449 25.279 44 HA GLU 7 HA GLU 7 7.728 26.178 23.354 45 HB2 GLU 7 2HB GLU 7 6.650 27.570 25.783 46 HB3 GLU 7 1HB GLU 7 7.850 28.334 24.753 47 HG2 GLU 7 2HG GLU 7 5.209 27.314 23.740 48 HG3 GLU 7 1HG GLU 7 5.471 28.965 24.303 49 H ALA 8 H ALA 8 8.118 25.930 26.857 50 HA ALA 8 HA ALA 8 10.777 26.631 27.121 51 HB1 ALA 8 1HB ALA 8 9.346 24.520 28.730 52 HB2 ALA 8 2HB ALA 8 9.242 26.253 29.014 53 HB3 ALA 8 3HB ALA 8 10.781 25.418 29.224 54 H LEU 9 H LEU 9 9.478 23.383 26.580 55 HA LEU 9 HA LEU 9 11.886 21.961 26.644 56 HB2 LEU 9 2HB LEU 9 9.625 20.963 26.793 57 HB3 LEU 9 1HB LEU 9 9.324 21.377 25.129 58 HG LEU 9 HG LEU 9 11.502 19.431 25.910 59 HD11 LEU 9 1HD1 LEU 9 9.371 18.643 26.842 60 HD12 LEU 9 2HD1 LEU 9 9.883 17.643 25.479 61 HD13 LEU 9 3HD1 LEU 9 8.611 18.843 25.264 62 HD21 LEU 9 3HD2 LEU 9 9.891 19.769 23.370 63 HD22 LEU 9 1HD2 LEU 9 11.160 18.575 23.640 64 HD23 LEU 9 2HD2 LEU 9 11.559 20.293 23.602 65 H ARG 10 H ARG 10 10.201 23.521 23.974 66 HA ARG 10 HA ARG 10 12.053 22.584 22.060 67 HB2 ARG 10 2HB ARG 10 9.955 24.645 21.930 68 HB3 ARG 10 1HB ARG 10 10.873 24.170 20.503 69 HG2 ARG 10 2HG ARG 10 10.077 21.819 20.916 70 HG3 ARG 10 1HG ARG 10 9.004 22.478 22.153 71 HD2 ARG 10 2HD ARG 10 7.849 22.178 20.017 72 HD3 ARG 10 1HD ARG 10 7.936 23.880 20.497 73 HE ARG 10 HE ARG 10 9.614 24.235 18.901 74 HH11 ARG 10 1HH1 ARG 10 7.993 21.059 18.514 75 HH12 ARG 10 2HH1 ARG 10 8.574 20.810 16.954 76 HH21 ARG 10 1HH2 ARG 10 10.346 23.891 16.726 77 HH22 ARG 10 2HH2 ARG 10 9.882 22.491 15.876 78 H ARG 11 H ARG 11 11.613 25.647 23.735 79 HA ARG 11 HA ARG 11 13.592 27.118 22.373 80 HB2 ARG 11 2HB ARG 11 12.596 27.395 25.210 81 HB3 ARG 11 1HB ARG 11 13.602 28.578 24.393 82 HG2 ARG 11 2HG ARG 11 11.844 28.954 22.748 83 HG3 ARG 11 1HG ARG 11 10.854 27.718 23.528 84 HD2 ARG 11 2HD ARG 11 10.905 29.074 25.604 85 HD3 ARG 11 1HD ARG 11 11.751 30.339 24.711 86 HE ARG 11 HE ARG 11 9.460 29.677 23.297 87 HH11 ARG 11 1HH1 ARG 11 10.318 31.270 26.338 88 HH12 ARG 11 2HH1 ARG 11 8.858 32.157 26.414 89 HH21 ARG 11 1HH2 ARG 11 7.454 30.819 23.475 90 HH22 ARG 11 2HH2 ARG 11 7.209 31.912 24.764 91 H GLN 12 H GLN 12 13.739 25.020 25.182 92 HA GLN 12 HA GLN 12 16.387 25.409 25.933 93 HB2 GLN 12 2HB GLN 12 14.875 24.130 27.308 94 HB3 GLN 12 1HB GLN 12 14.672 22.931 26.040 95 HG2 GLN 12 2HG GLN 12 17.056 22.352 26.246 96 HG3 GLN 12 1HG GLN 12 17.198 23.492 27.578 97 HE21 GLN 12 1HE2 GLN 12 17.785 21.868 28.975 98 HE22 GLN 12 2HE2 GLN 12 16.666 20.722 29.583 99 H ARG 13 H ARG 13 15.011 22.998 23.704 100 HA ARG 13 HA ARG 13 17.497 21.854 23.085 101 HB2 ARG 13 2HB ARG 13 14.973 21.799 21.452 102 HB3 ARG 13 1HB ARG 13 16.398 20.819 21.136 103 HG2 ARG 13 2HG ARG 13 16.142 19.875 23.432 104 HG3 ARG 13 1HG ARG 13 14.594 20.722 23.522 105 HD2 ARG 13 2HD ARG 13 13.900 19.537 21.461 106 HD3 ARG 13 1HD ARG 13 15.426 18.646 21.549 107 HE ARG 13 HE ARG 13 14.143 18.383 23.983 108 HH11 ARG 13 1HH1 ARG 13 13.704 17.335 20.612 109 HH12 ARG 13 2HH1 ARG 13 12.791 15.949 21.017 110 HH21 ARG 13 1HH2 ARG 13 12.836 16.469 24.519 111 HH22 ARG 13 2HH2 ARG 13 12.286 15.454 23.268 112 H LEU 14 H LEU 14 15.706 24.459 21.520 113 HA LEU 14 HA LEU 14 17.362 24.739 19.337 114 HB2 LEU 14 2HB LEU 14 15.413 26.262 20.777 115 HB3 LEU 14 1HB LEU 14 16.482 27.268 19.819 116 HG LEU 14 HG LEU 14 15.731 26.063 17.780 117 HD11 LEU 14 1HD1 LEU 14 13.889 24.462 17.863 118 HD12 LEU 14 2HD1 LEU 14 13.909 24.521 19.625 119 HD13 LEU 14 3HD1 LEU 14 15.292 23.864 18.750 120 HD21 LEU 14 3HD2 LEU 14 13.414 26.992 19.459 121 HD22 LEU 14 1HD2 LEU 14 13.438 26.858 17.704 122 HD23 LEU 14 2HD2 LEU 14 14.476 28.033 18.518 123 H ALA 15 H ALA 15 17.675 25.922 22.630 124 HA ALA 15 HA ALA 15 19.872 27.637 22.119 125 HB1 ALA 15 1HB ALA 15 18.416 27.925 24.079 126 HB2 ALA 15 2HB ALA 15 20.103 27.742 24.547 127 HB3 ALA 15 3HB ALA 15 18.989 26.386 24.721 128 H GLU 16 H GLU 16 19.500 24.277 22.931 129 HA GLU 16 HA GLU 16 22.255 23.831 23.545 130 HB2 GLU 16 2HB GLU 16 20.054 21.857 22.969 131 HB3 GLU 16 1HB GLU 16 21.612 21.496 23.694 132 HG2 GLU 16 2HG GLU 16 19.510 23.275 24.888 133 HG3 GLU 16 1HG GLU 16 19.767 21.592 25.326 134 H LEU 17 H LEU 17 20.136 23.404 20.829 135 HA LEU 17 HA LEU 17 21.666 21.657 19.252 136 HB2 LEU 17 2HB LEU 17 19.169 22.295 19.253 137 HB3 LEU 17 1HB LEU 17 19.648 23.621 18.233 138 HG LEU 17 HG LEU 17 20.111 20.729 17.508 139 HD11 LEU 17 1HD1 LEU 17 17.772 21.043 17.852 140 HD12 LEU 17 2HD1 LEU 17 18.072 21.016 16.109 141 HD13 LEU 17 3HD1 LEU 17 17.792 22.549 16.950 142 HD21 LEU 17 3HD2 LEU 17 21.456 22.367 16.249 143 HD22 LEU 17 1HD2 LEU 17 19.988 23.245 15.826 144 HD23 LEU 17 2HD2 LEU 17 20.240 21.609 15.221 145 H GLN 18 H GLN 18 21.509 25.155 19.437 146 HA GLN 18 HA GLN 18 23.013 26.804 18.866 147 HB2 GLN 18 2HB GLN 18 24.836 25.188 19.367 148 HB3 GLN 18 1HB GLN 18 24.717 24.596 17.720 149 HG2 GLN 18 2HG GLN 18 25.182 26.970 17.006 150 HG3 GLN 18 1HG GLN 18 25.650 27.267 18.673 151 HE21 GLN 18 1HE2 GLN 18 27.799 27.633 18.168 152 HE22 GLN 18 2HE2 GLN 18 28.870 26.364 17.715 153 H ALA 19 H ALA 19 22.997 24.416 16.305 154 HA ALA 19 HA ALA 19 23.180 26.334 14.216 155 HB1 ALA 19 1HB ALA 19 22.227 23.468 14.084 156 HB2 ALA 19 2HB ALA 19 23.894 24.011 13.891 157 HB3 ALA 19 3HB ALA 19 22.674 24.467 12.701 158 H LYS 20 H LYS 20 21.637 27.698 13.605 159 HA LYS 20 HA LYS 20 18.979 27.245 14.599 160 HB2 LYS 20 2HB LYS 20 20.087 29.460 14.861 161 HB3 LYS 20 1HB LYS 20 20.020 29.624 13.107 162 HG2 LYS 20 2HG LYS 20 17.629 29.687 13.115 163 HG3 LYS 20 1HG LYS 20 17.588 29.281 14.830 164 HD2 LYS 20 2HD LYS 20 18.748 31.825 13.682 165 HD3 LYS 20 1HD LYS 20 17.141 31.682 14.395 166 HE2 LYS 20 2HE LYS 20 18.201 30.970 16.526 167 HE3 LYS 20 1HE LYS 20 19.782 31.229 15.801 168 HZ1 LYS 20 3HZ LYS 20 17.706 33.277 16.311 169 HZ2 LYS 20 1HZ LYS 20 19.140 33.578 15.467 170 HZ3 LYS 20 2HZ LYS 20 19.192 33.116 17.085 171 H HIS 21 H HIS 21 18.831 25.457 13.264 172 HA HIS 21 HA HIS 21 16.940 25.922 11.189 173 HB2 HIS 21 2HB HIS 21 19.196 26.126 9.975 174 HB3 HIS 21 1HB HIS 21 19.487 24.449 10.419 175 HD1 HIS 21 1HD HIS 21 18.713 22.767 8.785 176 HD2 HIS 21 2HD HIS 21 16.833 26.419 8.246 177 HE1 HIS 21 1HE HIS 21 17.324 22.507 6.700 178 HE2 HIS 21 2HE HIS 21 15.999 24.668 6.586 179 H GLY 22 H GLY 22 17.398 24.778 13.808 180 HA2 GLY 22 2HA GLY 22 17.728 21.934 13.561 181 HA3 GLY 22 1HA GLY 22 17.430 22.843 15.028 182 H ASP 23 H ASP 23 15.101 23.852 13.064 183 HA ASP 23 HA ASP 23 13.095 22.163 14.238 184 HB2 ASP 23 2HB ASP 23 12.609 24.533 13.879 185 HB3 ASP 23 1HB ASP 23 12.877 24.349 12.150 186 HA PRO 24 HA PRO 24 13.018 19.627 10.481 187 HB2 PRO 24 2HB PRO 24 12.562 17.306 11.656 188 HB3 PRO 24 1HB PRO 24 14.121 18.109 11.872 189 HG2 PRO 24 2HG PRO 24 11.895 17.785 13.807 190 HG3 PRO 24 1HG PRO 24 13.623 18.013 14.116 191 HD2 PRO 24 2HD PRO 24 11.520 20.013 14.106 192 HD3 PRO 24 1HD PRO 24 13.249 20.210 14.487 193 H GLY 25 H GLY 25 10.633 21.142 11.759 194 HA2 GLY 25 2HA GLY 25 8.444 19.435 12.147 195 HA3 GLY 25 1HA GLY 25 8.362 21.155 11.824 196 H ASP 26 H ASP 26 9.492 21.146 9.265 197 HA ASP 26 HA ASP 26 7.145 20.314 7.819 198 HB2 ASP 26 2HB ASP 26 9.651 21.741 6.913 199 HB3 ASP 26 1HB ASP 26 8.352 21.296 5.822 200 H ALA 27 H ALA 27 10.484 19.471 7.970 201 HA ALA 27 HA ALA 27 10.591 17.610 5.897 202 HB1 ALA 27 1HB ALA 27 12.575 18.488 7.052 203 HB2 ALA 27 2HB ALA 27 12.574 16.724 7.000 204 HB3 ALA 27 3HB ALA 27 12.136 17.563 8.489 205 H ALA 28 H ALA 28 9.948 17.118 9.341 206 HA ALA 28 HA ALA 28 9.705 14.336 9.289 207 HB1 ALA 28 1HB ALA 28 8.336 16.244 11.178 208 HB2 ALA 28 2HB ALA 28 9.984 15.638 11.354 209 HB3 ALA 28 3HB ALA 28 8.619 14.524 11.450 210 H GLN 29 H GLN 29 7.280 16.825 8.752 211 HA GLN 29 HA GLN 29 5.104 15.043 8.803 212 HB2 GLN 29 2HB GLN 29 5.308 17.779 7.561 213 HB3 GLN 29 1HB GLN 29 3.813 16.867 7.686 214 HG2 GLN 29 2HG GLN 29 5.475 17.583 10.080 215 HG3 GLN 29 1HG GLN 29 4.250 18.650 9.419 216 HE21 GLN 29 1HE2 GLN 29 3.644 15.163 9.419 217 HE22 GLN 29 2HE2 GLN 29 2.525 15.217 10.711 218 H GLN 30 H GLN 30 7.021 16.349 6.161 219 HA GLN 30 HA GLN 30 5.449 15.113 4.145 220 HB2 GLN 30 2HB GLN 30 8.321 16.044 3.991 221 HB3 GLN 30 1HB GLN 30 7.330 15.582 2.619 222 HG2 GLN 30 2HG GLN 30 6.921 17.940 4.445 223 HG3 GLN 30 1HG GLN 30 7.448 17.972 2.766 224 HE21 GLN 30 1HE2 GLN 30 5.911 17.529 1.134 225 HE22 GLN 30 2HE2 GLN 30 4.225 17.683 1.447 226 H GLU 31 H GLU 31 8.423 14.182 5.816 227 HA GLU 31 HA GLU 31 8.883 11.827 4.366 228 HB2 GLU 31 2HB GLU 31 9.602 12.435 7.241 229 HB3 GLU 31 1HB GLU 31 10.272 11.124 6.287 230 HG2 GLU 31 2HG GLU 31 10.584 14.058 5.684 231 HG3 GLU 31 1HG GLU 31 11.789 13.048 6.471 232 H ALA 32 H ALA 32 7.112 12.342 7.414 233 HA ALA 32 HA ALA 32 6.423 9.654 7.811 234 HB1 ALA 32 1HB ALA 32 4.715 10.482 9.350 235 HB2 ALA 32 2HB ALA 32 4.895 12.106 8.691 236 HB3 ALA 32 3HB ALA 32 6.227 11.361 9.572 237 H LYS 33 H LYS 33 4.707 12.272 6.156 238 HA LYS 33 HA LYS 33 2.445 10.699 5.548 239 HB2 LYS 33 2HB LYS 33 2.307 13.130 5.576 240 HB3 LYS 33 1HB LYS 33 3.448 13.231 4.247 241 HG2 LYS 33 2HG LYS 33 1.237 13.601 3.390 242 HG3 LYS 33 1HG LYS 33 1.872 12.049 2.822 243 HD2 LYS 33 2HD LYS 33 -0.455 11.754 3.433 244 HD3 LYS 33 1HD LYS 33 0.567 10.869 4.558 245 HE2 LYS 33 2HE LYS 33 0.333 12.765 6.151 246 HE3 LYS 33 1HE LYS 33 -0.758 13.531 4.994 247 HZ1 LYS 33 3HZ LYS 33 -1.181 10.972 6.426 248 HZ2 LYS 33 1HZ LYS 33 -2.212 11.535 5.211 249 HZ3 LYS 33 2HZ LYS 33 -2.024 12.386 6.663 250 H HIS 34 H HIS 34 5.455 11.296 3.802 251 HA HIS 34 HA HIS 34 4.600 10.010 1.437 252 HB2 HIS 34 2HB HIS 34 6.589 11.529 1.555 253 HB3 HIS 34 1HB HIS 34 7.433 10.307 2.487 254 HD1 HIS 34 1HD HIS 34 6.055 10.915 -1.001 255 HD2 HIS 34 2HD HIS 34 8.715 8.356 0.920 256 HE1 HIS 34 1HE HIS 34 7.196 9.640 -2.805 257 HE2 HIS 34 2HE HIS 34 8.708 8.017 -1.611 258 H ARG 35 H ARG 35 6.143 8.936 4.389 259 HA ARG 35 HA ARG 35 6.580 6.247 3.703 260 HB2 ARG 35 2HB ARG 35 7.530 7.505 5.658 261 HB3 ARG 35 1HB ARG 35 5.959 7.397 6.426 262 HG2 ARG 35 2HG ARG 35 6.151 4.955 6.447 263 HG3 ARG 35 1HG ARG 35 7.739 5.087 5.689 264 HD2 ARG 35 2HD ARG 35 8.471 6.493 7.609 265 HD3 ARG 35 1HD ARG 35 6.924 6.161 8.383 266 HE ARG 35 HE ARG 35 8.105 3.745 7.657 267 HH11 ARG 35 1HH1 ARG 35 8.555 6.347 10.068 268 HH12 ARG 35 2HH1 ARG 35 9.397 5.360 11.151 269 HH21 ARG 35 1HH2 ARG 35 9.265 2.426 9.148 270 HH22 ARG 35 2HH2 ARG 35 9.861 3.090 10.614 271 H GLU 36 H GLU 36 3.807 7.952 5.051 272 HA GLU 36 HA GLU 36 2.083 5.851 5.662 273 HB2 GLU 36 2HB GLU 36 1.536 8.613 4.597 274 HB3 GLU 36 1HB GLU 36 0.275 7.516 5.135 275 HG2 GLU 36 2HG GLU 36 2.553 8.384 6.850 276 HG3 GLU 36 1HG GLU 36 1.003 9.242 6.798 277 H ALA 37 H ALA 37 2.330 7.775 2.742 278 HA ALA 37 HA ALA 37 0.522 6.311 1.199 279 HB1 ALA 37 1HB ALA 37 2.812 8.042 0.298 280 HB2 ALA 37 2HB ALA 37 1.177 8.594 0.669 281 HB3 ALA 37 3HB ALA 37 1.456 7.517 -0.701 282 H GLU 38 H GLU 38 4.049 6.126 1.492 283 HA GLU 38 HA GLU 38 4.573 4.306 -0.522 284 HB2 GLU 38 2HB GLU 38 5.978 4.811 2.068 285 HB3 GLU 38 1HB GLU 38 6.534 3.583 0.941 286 HG2 GLU 38 2HG GLU 38 6.175 6.491 0.285 287 HG3 GLU 38 1HG GLU 38 7.711 5.723 0.700 288 H MET 39 H MET 39 3.821 3.560 2.839 289 HA MET 39 HA MET 39 4.151 0.777 2.598 290 HB2 MET 39 2HB MET 39 4.017 1.944 4.776 291 HB3 MET 39 1HB MET 39 2.333 2.308 4.476 292 HG2 MET 39 2HG MET 39 3.328 -0.524 4.647 293 HG3 MET 39 1HG MET 39 2.894 0.387 6.083 294 HE1 MET 39 3HE MET 39 1.607 -2.422 5.385 295 HE2 MET 39 1HE MET 39 -0.093 -2.105 5.738 296 HE3 MET 39 2HE MET 39 1.165 -1.462 6.796 297 H ARG 40 H ARG 40 1.270 2.747 2.303 298 HA ARG 40 HA ARG 40 -0.462 0.546 1.823 299 HB2 ARG 40 2HB ARG 40 -0.899 3.486 1.310 300 HB3 ARG 40 1HB ARG 40 -2.157 2.253 1.350 301 HG2 ARG 40 2HG ARG 40 -1.771 1.831 3.669 302 HG3 ARG 40 1HG ARG 40 -0.347 2.870 3.670 303 HD2 ARG 40 2HD ARG 40 -1.832 4.766 3.074 304 HD3 ARG 40 1HD ARG 40 -3.216 3.696 3.298 305 HE ARG 40 HE ARG 40 -2.362 3.383 5.619 306 HH11 ARG 40 1HH1 ARG 40 -1.728 6.375 3.847 307 HH12 ARG 40 2HH1 ARG 40 -1.478 7.315 5.246 308 HH21 ARG 40 1HH2 ARG 40 -1.976 4.658 7.522 309 HH22 ARG 40 2HH2 ARG 40 -1.496 6.289 7.392 310 H ASN 41 H ASN 41 1.110 2.902 -0.296 311 HA ASN 41 HA ASN 41 -0.133 2.026 -2.673 312 HB2 ASN 41 2HB ASN 41 0.911 4.217 -2.568 313 HB3 ASN 41 1HB ASN 41 2.480 3.490 -2.263 314 HD21 ASN 41 1HD2 ASN 41 0.115 2.366 -4.715 315 HD22 ASN 41 2HD2 ASN 41 1.139 2.747 -6.040 316 H SER 42 H SER 42 3.003 1.169 -1.165 317 HA SER 42 HA SER 42 3.903 -0.385 -3.304 318 HB2 SER 42 2HB SER 42 4.655 -0.580 -0.383 319 HB3 SER 42 1HB SER 42 5.571 -1.220 -1.746 320 HG SER 42 HG SER 42 4.994 1.458 -1.108 321 H ILE 43 H ILE 43 1.918 -1.205 -0.463 322 HA ILE 43 HA ILE 43 2.025 -3.941 -1.218 323 HB ILE 43 HB ILE 43 0.229 -4.370 0.439 324 HG12 ILE 43 2HG1 ILE 43 0.400 -1.391 0.994 325 HG13 ILE 43 1HG1 ILE 43 -0.974 -2.224 0.290 326 HG21 ILE 43 1HG2 ILE 43 1.564 -3.851 2.434 327 HG22 ILE 43 2HG2 ILE 43 2.569 -2.775 1.458 328 HG23 ILE 43 3HG2 ILE 43 2.534 -4.505 1.112 329 HD11 ILE 43 3HD1 ILE 43 0.103 -2.612 3.069 330 HD12 ILE 43 1HD1 ILE 43 -1.283 -3.455 2.375 331 HD13 ILE 43 2HD1 ILE 43 -1.345 -1.709 2.624 332 H LEU 44 H LEU 44 -0.441 -1.400 -1.627 333 HA LEU 44 HA LEU 44 -2.360 -3.074 -2.787 334 HB2 LEU 44 2HB LEU 44 -1.953 -0.113 -3.101 335 HB3 LEU 44 1HB LEU 44 -3.318 -0.970 -3.783 336 HG LEU 44 HG LEU 44 -2.684 -0.751 -0.833 337 HD11 LEU 44 1HD1 LEU 44 -4.674 0.663 -0.745 338 HD12 LEU 44 2HD1 LEU 44 -4.821 0.565 -2.500 339 HD13 LEU 44 3HD1 LEU 44 -3.426 1.365 -1.776 340 HD21 LEU 44 3HD2 LEU 44 -5.027 -1.997 -2.276 341 HD22 LEU 44 1HD2 LEU 44 -4.921 -1.742 -0.535 342 HD23 LEU 44 2HD2 LEU 44 -3.809 -2.847 -1.327 343 H ALA 45 H ALA 45 0.307 -1.362 -4.315 344 HA ALA 45 HA ALA 45 -0.621 -1.925 -6.955 345 HB1 ALA 45 1HB ALA 45 1.517 -1.047 -7.703 346 HB2 ALA 45 2HB ALA 45 2.132 -1.108 -6.050 347 HB3 ALA 45 3HB ALA 45 0.821 -0.005 -6.460 348 H GLN 46 H GLN 46 1.111 -3.753 -4.639 349 HA GLN 46 HA GLN 46 2.051 -5.578 -6.711 350 HB2 GLN 46 2HB GLN 46 2.634 -5.603 -3.746 351 HB3 GLN 46 1HB GLN 46 3.320 -6.709 -4.931 352 HG2 GLN 46 2HG GLN 46 3.722 -3.726 -4.823 353 HG3 GLN 46 1HG GLN 46 4.911 -4.957 -4.405 354 HE21 GLN 46 1HE2 GLN 46 5.005 -2.838 -6.372 355 HE22 GLN 46 2HE2 GLN 46 5.285 -3.560 -7.904 356 H VAL 47 H VAL 47 -0.306 -5.286 -4.248 357 HA VAL 47 HA VAL 47 -1.103 -8.053 -4.265 358 HB VAL 47 HB VAL 47 -2.455 -5.574 -3.152 359 HG11 VAL 47 1HG1 VAL 47 -3.245 -8.469 -2.803 360 HG12 VAL 47 2HG1 VAL 47 -4.154 -7.230 -3.663 361 HG13 VAL 47 3HG1 VAL 47 -3.916 -7.100 -1.919 362 HG21 VAL 47 3HG2 VAL 47 -0.947 -7.805 -1.798 363 HG22 VAL 47 1HG2 VAL 47 -1.816 -6.498 -0.991 364 HG23 VAL 47 2HG2 VAL 47 -0.416 -6.137 -2.002 365 H LEU 48 H LEU 48 -2.291 -5.057 -5.683 366 HA LEU 48 HA LEU 48 -4.288 -6.597 -7.102 367 HB2 LEU 48 2HB LEU 48 -3.768 -3.602 -7.062 368 HB3 LEU 48 1HB LEU 48 -5.020 -4.416 -7.977 369 HG LEU 48 HG LEU 48 -4.822 -4.420 -4.957 370 HD11 LEU 48 1HD1 LEU 48 -6.627 -2.850 -6.784 371 HD12 LEU 48 2HD1 LEU 48 -5.328 -2.203 -5.777 372 HD13 LEU 48 3HD1 LEU 48 -6.749 -2.929 -5.027 373 HD21 LEU 48 3HD2 LEU 48 -7.127 -5.304 -5.078 374 HD22 LEU 48 1HD2 LEU 48 -5.939 -6.401 -5.784 375 HD23 LEU 48 2HD2 LEU 48 -6.965 -5.420 -6.830 376 H ASP 49 H ASP 49 -3.879 -7.396 -9.008 377 HA ASP 49 HA ASP 49 -1.557 -6.785 -10.501 378 HB2 ASP 49 2HB ASP 49 -2.797 -8.923 -10.839 379 HB3 ASP 49 1HB ASP 49 -4.197 -8.023 -11.391 380 H GLN 50 H GLN 50 -1.494 -5.593 -12.414 381 HA GLN 50 HA GLN 50 -2.443 -3.024 -12.296 382 HB2 GLN 50 2HB GLN 50 -0.575 -3.917 -13.765 383 HB3 GLN 50 1HB GLN 50 -1.807 -4.446 -14.893 384 HG2 GLN 50 2HG GLN 50 -1.469 -1.564 -14.070 385 HG3 GLN 50 1HG GLN 50 -0.607 -2.276 -15.422 386 HE21 GLN 50 1HE2 GLN 50 -2.561 -0.088 -15.285 387 HE22 GLN 50 2HE2 GLN 50 -3.812 -0.510 -16.378 388 H SER 51 H SER 51 -4.013 -5.802 -13.782 389 HA SER 51 HA SER 51 -6.006 -4.400 -15.181 390 HB2 SER 51 2HB SER 51 -7.192 -6.624 -15.118 391 HB3 SER 51 1HB SER 51 -5.560 -6.683 -15.771 392 HG SER 51 HG SER 51 -4.829 -7.502 -13.850 393 H ALA 52 H ALA 52 -5.974 -5.871 -11.961 394 HA ALA 52 HA ALA 52 -8.642 -5.108 -11.303 395 HB1 ALA 52 1HB ALA 52 -8.089 -5.884 -9.057 396 HB2 ALA 52 2HB ALA 52 -6.386 -5.977 -9.505 397 HB3 ALA 52 3HB ALA 52 -7.557 -7.047 -10.269 398 H ARG 53 H ARG 53 -5.453 -3.795 -10.750 399 HA ARG 53 HA ARG 53 -6.102 -1.776 -8.917 400 HB2 ARG 53 2HB ARG 53 -3.818 -2.628 -9.647 401 HB3 ARG 53 1HB ARG 53 -4.015 -1.648 -11.069 402 HG2 ARG 53 2HG ARG 53 -2.592 -0.566 -9.397 403 HG3 ARG 53 1HG ARG 53 -4.024 0.389 -9.777 404 HD2 ARG 53 2HD ARG 53 -4.139 -1.504 -7.505 405 HD3 ARG 53 1HD ARG 53 -3.232 -0.048 -7.215 406 HE ARG 53 HE ARG 53 -5.962 0.191 -8.277 407 HH11 ARG 53 1HH1 ARG 53 -3.809 0.676 -5.464 408 HH12 ARG 53 2HH1 ARG 53 -5.017 1.445 -4.536 409 HH21 ARG 53 1HH2 ARG 53 -7.577 1.336 -6.905 410 HH22 ARG 53 2HH2 ARG 53 -7.131 1.791 -5.327 411 H ALA 54 H ALA 54 -5.868 -1.761 -12.427 412 HA ALA 54 HA ALA 54 -6.750 0.895 -12.842 413 HB1 ALA 54 1HB ALA 54 -6.894 -1.473 -14.701 414 HB2 ALA 54 2HB ALA 54 -5.532 -0.358 -14.550 415 HB3 ALA 54 3HB ALA 54 -7.087 0.216 -15.168 416 H ARG 55 H ARG 55 -8.450 -2.179 -12.700 417 HA ARG 55 HA ARG 55 -11.041 -1.409 -13.463 418 HB2 ARG 55 2HB ARG 55 -10.034 -3.738 -12.918 419 HB3 ARG 55 1HB ARG 55 -10.404 -3.357 -11.250 420 HG2 ARG 55 2HG ARG 55 -12.156 -4.693 -12.058 421 HG3 ARG 55 1HG ARG 55 -12.791 -3.039 -11.982 422 HD2 ARG 55 2HD ARG 55 -12.386 -2.759 -14.355 423 HD3 ARG 55 1HD ARG 55 -11.685 -4.371 -14.448 424 HE ARG 55 HE ARG 55 -14.466 -4.002 -13.614 425 HH11 ARG 55 1HH1 ARG 55 -12.114 -5.498 -15.840 426 HH12 ARG 55 2HH1 ARG 55 -13.317 -6.256 -16.775 427 HH21 ARG 55 1HH2 ARG 55 -16.060 -5.116 -14.885 428 HH22 ARG 55 2HH2 ARG 55 -15.593 -6.048 -16.235 429 H LEU 56 H LEU 56 -9.447 -1.517 -10.343 430 HA LEU 56 HA LEU 56 -11.587 -0.493 -8.850 431 HB2 LEU 56 2HB LEU 56 -9.685 -1.887 -7.990 432 HB3 LEU 56 1HB LEU 56 -8.673 -0.469 -8.110 433 HG LEU 56 HG LEU 56 -10.000 0.674 -6.420 434 HD11 LEU 56 1HD1 LEU 56 -11.775 -0.534 -5.237 435 HD12 LEU 56 2HD1 LEU 56 -11.649 -1.855 -6.395 436 HD13 LEU 56 3HD1 LEU 56 -12.186 -0.259 -6.923 437 HD21 LEU 56 3HD2 LEU 56 -9.227 -2.126 -5.626 438 HD22 LEU 56 1HD2 LEU 56 -9.495 -0.780 -4.521 439 HD23 LEU 56 2HD2 LEU 56 -8.161 -0.722 -5.677 440 H SER 57 H SER 57 -9.001 1.034 -10.616 441 HA SER 57 HA SER 57 -9.103 3.580 -9.432 442 HB2 SER 57 2HB SER 57 -8.389 2.743 -12.240 443 HB3 SER 57 1HB SER 57 -8.043 4.319 -11.539 444 HG SER 57 HG SER 57 -7.013 1.779 -10.738 445 H ASN 58 H ASN 58 -10.813 2.186 -12.170 446 HA ASN 58 HA ASN 58 -12.386 4.520 -12.693 447 HB2 ASN 58 2HB ASN 58 -12.041 2.805 -14.423 448 HB3 ASN 58 1HB ASN 58 -12.895 1.623 -13.439 449 HD21 ASN 58 1HD2 ASN 58 -13.201 4.356 -15.547 450 HD22 ASN 58 2HD2 ASN 58 -14.913 4.264 -15.710 451 H LEU 59 H LEU 59 -12.808 1.585 -10.846 452 HA LEU 59 HA LEU 59 -15.458 1.753 -10.039 453 HB2 LEU 59 2HB LEU 59 -13.534 -0.038 -9.656 454 HB3 LEU 59 1HB LEU 59 -13.286 0.866 -8.200 455 HG LEU 59 HG LEU 59 -14.604 -1.210 -7.871 456 HD11 LEU 59 1HD1 LEU 59 -16.370 -0.241 -6.473 457 HD12 LEU 59 2HD1 LEU 59 -16.002 1.348 -7.162 458 HD13 LEU 59 3HD1 LEU 59 -14.788 0.487 -6.217 459 HD21 LEU 59 3HD2 LEU 59 -15.830 -1.197 -9.962 460 HD22 LEU 59 1HD2 LEU 59 -16.730 0.231 -9.452 461 HD23 LEU 59 2HD2 LEU 59 -16.934 -1.292 -8.589 462 H ALA 60 H ALA 60 -12.555 3.213 -8.708 463 HA ALA 60 HA ALA 60 -13.543 4.380 -6.371 464 HB1 ALA 60 1HB ALA 60 -11.581 5.792 -6.436 465 HB2 ALA 60 2HB ALA 60 -11.383 5.453 -8.153 466 HB3 ALA 60 3HB ALA 60 -11.146 4.163 -6.980 467 H LEU 61 H LEU 61 -14.022 5.296 -9.633 468 HA LEU 61 HA LEU 61 -14.779 8.005 -8.892 469 HB2 LEU 61 2HB LEU 61 -14.559 6.672 -11.578 470 HB3 LEU 61 1HB LEU 61 -14.944 8.370 -11.323 471 HG LEU 61 HG LEU 61 -12.343 6.996 -10.631 472 HD11 LEU 61 1HD1 LEU 61 -11.399 8.389 -12.397 473 HD12 LEU 61 2HD1 LEU 61 -13.016 8.970 -12.796 474 HD13 LEU 61 3HD1 LEU 61 -12.613 7.266 -13.008 475 HD21 LEU 61 3HD2 LEU 61 -11.523 9.282 -10.161 476 HD22 LEU 61 1HD2 LEU 61 -12.794 8.773 -9.045 477 HD23 LEU 61 2HD2 LEU 61 -13.171 9.882 -10.359 478 H VAL 62 H VAL 62 -16.131 5.091 -10.355 479 HA VAL 62 HA VAL 62 -18.707 6.273 -10.608 480 HB VAL 62 HB VAL 62 -19.533 3.988 -11.246 481 HG11 VAL 62 1HG1 VAL 62 -18.273 3.887 -13.354 482 HG12 VAL 62 2HG1 VAL 62 -17.058 4.966 -12.672 483 HG13 VAL 62 3HG1 VAL 62 -18.701 5.546 -12.931 484 HG21 VAL 62 3HG2 VAL 62 -17.893 2.202 -11.611 485 HG22 VAL 62 1HG2 VAL 62 -17.969 2.649 -9.905 486 HG23 VAL 62 2HG2 VAL 62 -16.634 3.220 -10.912 487 H LYS 63 H LYS 63 -17.368 4.027 -8.215 488 HA LYS 63 HA LYS 63 -19.440 4.911 -6.447 489 HB2 LYS 63 2HB LYS 63 -19.892 2.541 -5.620 490 HB3 LYS 63 1HB LYS 63 -20.636 3.034 -7.130 491 HG2 LYS 63 2HG LYS 63 -19.061 1.732 -8.396 492 HG3 LYS 63 1HG LYS 63 -18.117 1.392 -6.943 493 HD2 LYS 63 2HD LYS 63 -19.595 -0.493 -7.690 494 HD3 LYS 63 1HD LYS 63 -19.881 0.044 -6.036 495 HE2 LYS 63 2HE LYS 63 -21.765 1.333 -6.739 496 HE3 LYS 63 1HE LYS 63 -21.493 0.909 -8.430 497 HZ1 LYS 63 3HZ LYS 63 -21.897 -1.437 -7.803 498 HZ2 LYS 63 1HZ LYS 63 -23.227 -0.449 -7.514 499 HZ3 LYS 63 2HZ LYS 63 -22.288 -0.940 -6.227 500 HA PRO 64 HA PRO 64 -15.324 5.093 -4.567 501 HB2 PRO 64 2HB PRO 64 -16.715 7.187 -3.020 502 HB3 PRO 64 1HB PRO 64 -15.209 7.286 -3.934 503 HG2 PRO 64 2HG PRO 64 -17.417 8.454 -4.825 504 HG3 PRO 64 1HG PRO 64 -16.301 7.635 -5.938 505 HD2 PRO 64 2HD PRO 64 -18.903 6.675 -4.829 506 HD3 PRO 64 1HD PRO 64 -18.269 6.571 -6.489 507 H GLU 65 H GLU 65 -18.435 4.573 -3.205 508 HA GLU 65 HA GLU 65 -17.695 4.489 -0.461 509 HB2 GLU 65 2HB GLU 65 -20.000 4.938 -1.439 510 HB3 GLU 65 1HB GLU 65 -20.100 3.234 -1.810 511 HG2 GLU 65 2HG GLU 65 -19.767 4.305 0.992 512 HG3 GLU 65 1HG GLU 65 -21.328 4.036 0.227 513 H LYS 66 H LYS 66 -18.025 2.151 -3.062 514 HA LYS 66 HA LYS 66 -17.532 -0.023 -1.262 515 HB2 LYS 66 2HB LYS 66 -17.384 -0.215 -4.265 516 HB3 LYS 66 1HB LYS 66 -17.748 -1.485 -3.119 517 HG2 LYS 66 2HG LYS 66 -19.533 0.745 -4.071 518 HG3 LYS 66 1HG LYS 66 -19.772 -0.990 -4.212 519 HD2 LYS 66 2HD LYS 66 -19.918 0.655 -1.678 520 HD3 LYS 66 1HD LYS 66 -21.281 0.003 -2.572 521 HE2 LYS 66 2HE LYS 66 -20.570 -2.255 -2.040 522 HE3 LYS 66 1HE LYS 66 -19.140 -1.627 -1.217 523 HZ1 LYS 66 3HZ LYS 66 -21.981 -1.346 -0.347 524 HZ2 LYS 66 1HZ LYS 66 -20.725 -0.369 0.225 525 HZ3 LYS 66 2HZ LYS 66 -20.661 -2.016 0.484 526 H THR 67 H THR 67 -15.676 2.046 -3.365 527 HA THR 67 HA THR 67 -13.360 0.562 -3.740 528 HB THR 67 HB THR 67 -13.315 3.515 -3.291 529 HG1 THR 67 1HG THR 67 -14.292 2.199 -5.637 530 HG21 THR 67 3HG2 THR 67 -11.249 2.257 -3.932 531 HG22 THR 67 1HG2 THR 67 -11.745 3.448 -5.138 532 HG23 THR 67 2HG2 THR 67 -12.084 1.745 -5.407 533 H LYS 68 H LYS 68 -14.253 2.874 -1.165 534 HA LYS 68 HA LYS 68 -11.770 2.911 0.127 535 HB2 LYS 68 2HB LYS 68 -12.931 3.889 2.054 536 HB3 LYS 68 1HB LYS 68 -13.522 4.603 0.562 537 HG2 LYS 68 2HG LYS 68 -15.508 3.207 0.667 538 HG3 LYS 68 1HG LYS 68 -14.905 2.439 2.132 539 HD2 LYS 68 2HD LYS 68 -14.938 4.667 3.230 540 HD3 LYS 68 1HD LYS 68 -15.678 5.326 1.769 541 HE2 LYS 68 2HE LYS 68 -17.574 3.827 2.022 542 HE3 LYS 68 1HE LYS 68 -16.822 3.095 3.434 543 HZ1 LYS 68 3HZ LYS 68 -17.789 5.903 3.218 544 HZ2 LYS 68 1HZ LYS 68 -16.957 5.279 4.541 545 HZ3 LYS 68 2HZ LYS 68 -18.451 4.656 4.142 546 H ALA 69 H ALA 69 -14.513 0.797 0.459 547 HA ALA 69 HA ALA 69 -13.579 -0.569 2.761 548 HB1 ALA 69 1HB ALA 69 -15.581 -1.482 0.703 549 HB2 ALA 69 2HB ALA 69 -15.949 -0.531 2.143 550 HB3 ALA 69 3HB ALA 69 -15.347 -2.181 2.305 551 H VAL 70 H VAL 70 -13.513 -1.400 -0.722 552 HA VAL 70 HA VAL 70 -12.186 -3.827 -0.213 553 HB VAL 70 HB VAL 70 -11.672 -3.982 -2.637 554 HG11 VAL 70 1HG1 VAL 70 -13.827 -4.738 -1.785 555 HG12 VAL 70 2HG1 VAL 70 -13.956 -4.110 -3.426 556 HG13 VAL 70 3HG1 VAL 70 -14.488 -3.127 -2.064 557 HG21 VAL 70 3HG2 VAL 70 -12.547 -2.287 -4.167 558 HG22 VAL 70 1HG2 VAL 70 -11.277 -1.641 -3.122 559 HG23 VAL 70 2HG2 VAL 70 -12.972 -1.281 -2.782 560 H GLU 71 H GLU 71 -10.862 -0.619 -1.015 561 HA GLU 71 HA GLU 71 -8.226 -1.551 -1.321 562 HB2 GLU 71 2HB GLU 71 -9.199 1.174 -0.454 563 HB3 GLU 71 1HB GLU 71 -7.519 0.808 -0.834 564 HG2 GLU 71 2HG GLU 71 -8.275 0.141 -3.106 565 HG3 GLU 71 1HG GLU 71 -9.887 0.730 -2.690 566 H ASN 72 H ASN 72 -10.030 -0.529 1.550 567 HA ASN 72 HA ASN 72 -7.952 -0.657 3.392 568 HB2 ASN 72 2HB ASN 72 -10.263 0.270 3.775 569 HB3 ASN 72 1HB ASN 72 -10.852 -1.385 3.839 570 HD21 ASN 72 1HD2 ASN 72 -8.996 1.029 5.390 571 HD22 ASN 72 2HD2 ASN 72 -8.856 0.243 6.914 572 H TYR 73 H TYR 73 -10.179 -3.064 2.132 573 HA TYR 73 HA TYR 73 -9.496 -5.193 3.801 574 HB2 TYR 73 2HB TYR 73 -11.512 -5.226 2.449 575 HB3 TYR 73 1HB TYR 73 -10.549 -5.255 0.977 576 HD1 TYR 73 2HD TYR 73 -11.101 -7.187 4.106 577 HD2 TYR 73 1HD TYR 73 -10.002 -7.309 0.002 578 HE1 TYR 73 2HE TYR 73 -11.046 -9.625 4.192 579 HE2 TYR 73 1HE TYR 73 -9.942 -9.766 0.091 580 HH TYR 73 HH TYR 73 -11.333 -11.437 2.637 581 H LEU 74 H LEU 74 -8.261 -4.350 0.565 582 HA LEU 74 HA LEU 74 -6.487 -6.525 0.568 583 HB2 LEU 74 2HB LEU 74 -6.418 -4.022 -1.111 584 HB3 LEU 74 1HB LEU 74 -5.155 -5.229 -1.192 585 HG LEU 74 HG LEU 74 -6.524 -5.670 -3.023 586 HD11 LEU 74 1HD1 LEU 74 -7.403 -7.610 -0.918 587 HD12 LEU 74 2HD1 LEU 74 -5.931 -7.684 -1.881 588 HD13 LEU 74 3HD1 LEU 74 -7.502 -7.845 -2.661 589 HD21 LEU 74 3HD2 LEU 74 -8.957 -5.961 -2.954 590 HD22 LEU 74 1HD2 LEU 74 -8.466 -4.337 -2.473 591 HD23 LEU 74 2HD2 LEU 74 -8.950 -5.512 -1.249 592 H ILE 75 H ILE 75 -6.078 -3.255 1.752 593 HA ILE 75 HA ILE 75 -3.362 -3.442 2.403 594 HB ILE 75 HB ILE 75 -5.597 -1.939 3.808 595 HG12 ILE 75 2HG1 ILE 75 -3.410 -0.981 1.944 596 HG13 ILE 75 1HG1 ILE 75 -5.095 -1.233 1.508 597 HG21 ILE 75 1HG2 ILE 75 -3.871 -0.615 4.965 598 HG22 ILE 75 2HG2 ILE 75 -2.626 -1.684 4.319 599 HG23 ILE 75 3HG2 ILE 75 -3.833 -2.314 5.439 600 HD11 ILE 75 3HD1 ILE 75 -4.602 1.126 1.850 601 HD12 ILE 75 1HD1 ILE 75 -4.068 0.784 3.496 602 HD13 ILE 75 2HD1 ILE 75 -5.755 0.535 3.043 603 H GLN 76 H GLN 76 -6.224 -4.368 4.271 604 HA GLN 76 HA GLN 76 -4.890 -5.326 6.564 605 HB2 GLN 76 2HB GLN 76 -7.543 -6.205 5.411 606 HB3 GLN 76 1HB GLN 76 -6.964 -6.588 7.022 607 HG2 GLN 76 2HG GLN 76 -7.455 -3.792 6.021 608 HG3 GLN 76 1HG GLN 76 -8.628 -4.749 6.912 609 HE21 GLN 76 1HE2 GLN 76 -8.710 -3.278 8.534 610 HE22 GLN 76 2HE2 GLN 76 -7.483 -3.097 9.734 611 H MET 77 H MET 77 -5.965 -6.990 3.656 612 HA MET 77 HA MET 77 -5.177 -9.572 4.500 613 HB2 MET 77 2HB MET 77 -6.877 -9.062 2.720 614 HB3 MET 77 1HB MET 77 -5.552 -8.551 1.689 615 HG2 MET 77 2HG MET 77 -5.687 -11.332 2.807 616 HG3 MET 77 1HG MET 77 -6.563 -10.894 1.349 617 HE1 MET 77 3HE MET 77 -5.463 -10.286 -0.918 618 HE2 MET 77 1HE MET 77 -3.733 -10.060 -1.162 619 HE3 MET 77 2HE MET 77 -4.630 -8.924 -0.166 620 H ALA 78 H ALA 78 -3.532 -7.057 2.613 621 HA ALA 78 HA ALA 78 -1.181 -8.530 2.057 622 HB1 ALA 78 1HB ALA 78 -1.462 -5.556 2.412 623 HB2 ALA 78 2HB ALA 78 -1.851 -6.424 0.939 624 HB3 ALA 78 3HB ALA 78 -0.180 -6.393 1.529 625 H ARG 79 H ARG 79 -2.177 -6.483 4.679 626 HA ARG 79 HA ARG 79 0.120 -6.250 6.211 627 HB2 ARG 79 2HB ARG 79 -1.942 -5.016 6.574 628 HB3 ARG 79 1HB ARG 79 -2.776 -6.495 6.995 629 HG2 ARG 79 2HG ARG 79 -1.389 -6.671 9.011 630 HG3 ARG 79 1HG ARG 79 -0.627 -5.125 8.587 631 HD2 ARG 79 2HD ARG 79 -2.795 -4.031 8.604 632 HD3 ARG 79 1HD ARG 79 -3.584 -5.554 8.983 633 HE ARG 79 HE ARG 79 -1.600 -4.854 10.892 634 HH11 ARG 79 1HH1 ARG 79 -4.962 -4.235 9.919 635 HH12 ARG 79 2HH1 ARG 79 -5.479 -3.740 11.452 636 HH21 ARG 79 1HH2 ARG 79 -2.296 -4.178 13.003 637 HH22 ARG 79 2HH2 ARG 79 -3.902 -3.675 13.268 638 H TYR 80 H TYR 80 -2.351 -8.799 6.191 639 HA TYR 80 HA TYR 80 -0.940 -10.294 8.210 640 HB2 TYR 80 2HB TYR 80 -3.367 -11.014 6.573 641 HB3 TYR 80 1HB TYR 80 -2.667 -12.062 7.803 642 HD1 TYR 80 2HD TYR 80 -2.224 -10.733 10.112 643 HD2 TYR 80 1HD TYR 80 -5.195 -9.760 7.232 644 HE1 TYR 80 2HE TYR 80 -3.520 -9.585 11.849 645 HE2 TYR 80 1HE TYR 80 -6.495 -8.604 8.959 646 HH TYR 80 HH TYR 80 -6.700 -8.772 11.441 647 H GLY 81 H GLY 81 -0.922 -10.135 4.822 648 HA2 GLY 81 2HA GLY 81 0.694 -11.021 3.416 649 HA3 GLY 81 1HA GLY 81 1.313 -11.947 4.778 650 H GLN 82 H GLN 82 -1.859 -11.837 3.216 651 HA GLN 82 HA GLN 82 -1.806 -14.761 3.094 652 HB2 GLN 82 2HB GLN 82 -4.080 -12.847 2.516 653 HB3 GLN 82 1HB GLN 82 -4.203 -14.592 2.625 654 HG2 GLN 82 2HG GLN 82 -3.507 -12.714 4.872 655 HG3 GLN 82 1HG GLN 82 -5.050 -13.528 4.639 656 HE21 GLN 82 1HE2 GLN 82 -5.172 -15.758 5.035 657 HE22 GLN 82 2HE2 GLN 82 -3.963 -16.575 5.955 658 H LEU 83 H LEU 83 -0.391 -12.787 1.355 659 HA LEU 83 HA LEU 83 -1.565 -12.912 -1.234 660 HB2 LEU 83 2HB LEU 83 1.033 -11.899 -0.214 661 HB3 LEU 83 1HB LEU 83 0.874 -12.224 -1.921 662 HG LEU 83 HG LEU 83 0.530 -9.907 -1.518 663 HD11 LEU 83 1HD1 LEU 83 -0.803 -10.952 -3.263 664 HD12 LEU 83 2HD1 LEU 83 -1.609 -9.569 -2.548 665 HD13 LEU 83 3HD1 LEU 83 -2.123 -11.199 -2.122 666 HD21 LEU 83 3HD2 LEU 83 -1.656 -10.719 0.393 667 HD22 LEU 83 1HD2 LEU 83 -1.298 -9.065 -0.108 668 HD23 LEU 83 2HD2 LEU 83 -0.110 -9.985 0.821 669 H SER 84 H SER 84 -1.618 -14.506 -2.487 670 HA SER 84 HA SER 84 0.617 -16.373 -2.555 671 HB2 SER 84 2HB SER 84 -2.141 -16.600 -3.812 672 HB3 SER 84 1HB SER 84 -0.918 -17.869 -3.724 673 HG SER 84 HG SER 84 -1.091 -17.561 -1.363 674 H GLU 85 H GLU 85 -1.661 -14.622 -4.663 675 HA GLU 85 HA GLU 85 0.509 -13.942 -6.517 676 HB2 GLU 85 2HB GLU 85 -2.206 -15.058 -7.217 677 HB3 GLU 85 1HB GLU 85 -1.172 -14.215 -8.357 678 HG2 GLU 85 2HG GLU 85 -0.481 -16.750 -6.915 679 HG3 GLU 85 1HG GLU 85 -1.079 -16.662 -8.566 680 H LYS 86 H LYS 86 -0.554 -12.302 -8.164 681 HA LYS 86 HA LYS 86 -1.623 -10.120 -6.703 682 HB2 LYS 86 2HB LYS 86 -1.313 -10.624 -9.662 683 HB3 LYS 86 1HB LYS 86 -1.859 -9.116 -8.962 684 HG2 LYS 86 2HG LYS 86 0.276 -8.778 -7.905 685 HG3 LYS 86 1HG LYS 86 0.829 -10.361 -8.451 686 HD2 LYS 86 2HD LYS 86 0.629 -9.665 -10.769 687 HD3 LYS 86 1HD LYS 86 -0.014 -8.103 -10.263 688 HE2 LYS 86 2HE LYS 86 2.080 -7.547 -9.204 689 HE3 LYS 86 1HE LYS 86 2.716 -9.154 -9.554 690 HZ1 LYS 86 3HZ LYS 86 1.977 -7.094 -11.580 691 HZ2 LYS 86 1HZ LYS 86 2.527 -8.664 -11.911 692 HZ3 LYS 86 2HZ LYS 86 3.536 -7.576 -11.146 693 H VAL 87 H VAL 87 -3.672 -9.425 -6.654 694 HA VAL 87 HA VAL 87 -5.756 -11.299 -7.229 695 HB VAL 87 HB VAL 87 -5.948 -8.419 -6.281 696 HG11 VAL 87 1HG1 VAL 87 -7.999 -10.635 -6.181 697 HG12 VAL 87 2HG1 VAL 87 -8.050 -9.219 -7.230 698 HG13 VAL 87 3HG1 VAL 87 -8.188 -9.025 -5.485 699 HG21 VAL 87 3HG2 VAL 87 -6.235 -9.369 -4.032 700 HG22 VAL 87 1HG2 VAL 87 -4.662 -9.771 -4.723 701 HG23 VAL 87 2HG2 VAL 87 -5.942 -10.981 -4.686 702 H SER 88 H SER 88 -6.870 -11.407 -9.000 703 HA SER 88 HA SER 88 -6.354 -9.619 -11.196 704 HB2 SER 88 2HB SER 88 -8.068 -12.103 -11.029 705 HB3 SER 88 1HB SER 88 -7.416 -11.344 -12.490 706 HG SER 88 HG SER 88 -5.327 -11.755 -11.643 707 H GLU 89 H GLU 89 -8.627 -9.334 -12.619 708 HA GLU 89 HA GLU 89 -10.071 -7.409 -11.182 709 HB2 GLU 89 2HB GLU 89 -10.811 -8.796 -13.762 710 HB3 GLU 89 1HB GLU 89 -11.506 -7.304 -13.152 711 HG2 GLU 89 2HG GLU 89 -9.359 -6.188 -13.389 712 HG3 GLU 89 1HG GLU 89 -8.643 -7.707 -13.917 713 H GLN 90 H GLN 90 -10.884 -10.668 -12.306 714 HA GLN 90 HA GLN 90 -13.538 -10.730 -11.347 715 HB2 GLN 90 2HB GLN 90 -11.623 -13.026 -11.770 716 HB3 GLN 90 1HB GLN 90 -13.360 -13.187 -11.568 717 HG2 GLN 90 2HG GLN 90 -13.739 -11.972 -13.640 718 HG3 GLN 90 1HG GLN 90 -12.012 -11.718 -13.834 719 HE21 GLN 90 1HE2 GLN 90 -11.359 -14.441 -12.908 720 HE22 GLN 90 2HE2 GLN 90 -11.791 -15.502 -14.179 721 H GLY 91 H GLY 91 -10.498 -11.540 -9.813 722 HA2 GLY 91 2HA GLY 91 -11.596 -12.642 -7.444 723 HA3 GLY 91 1HA GLY 91 -9.970 -11.990 -7.626 724 H LEU 92 H LEU 92 -10.626 -9.381 -8.385 725 HA LEU 92 HA LEU 92 -11.137 -8.171 -5.886 726 HB2 LEU 92 2HB LEU 92 -9.764 -7.104 -7.603 727 HB3 LEU 92 1HB LEU 92 -11.147 -6.993 -8.668 728 HG LEU 92 HG LEU 92 -12.225 -5.469 -7.010 729 HD11 LEU 92 1HD1 LEU 92 -11.037 -6.122 -5.009 730 HD12 LEU 92 2HD1 LEU 92 -10.819 -4.401 -5.314 731 HD13 LEU 92 3HD1 LEU 92 -9.520 -5.533 -5.688 732 HD21 LEU 92 3HD2 LEU 92 -11.070 -4.618 -8.986 733 HD22 LEU 92 1HD2 LEU 92 -9.556 -4.565 -8.080 734 HD23 LEU 92 2HD2 LEU 92 -10.903 -3.526 -7.612 735 H ILE 93 H ILE 93 -13.103 -8.795 -8.723 736 HA ILE 93 HA ILE 93 -15.417 -7.316 -8.077 737 HB ILE 93 HB ILE 93 -15.472 -10.044 -9.378 738 HG12 ILE 93 2HG1 ILE 93 -13.815 -8.811 -10.553 739 HG13 ILE 93 1HG1 ILE 93 -15.268 -8.941 -11.527 740 HG21 ILE 93 1HG2 ILE 93 -17.439 -9.209 -10.562 741 HG22 ILE 93 2HG2 ILE 93 -17.275 -7.663 -9.723 742 HG23 ILE 93 3HG2 ILE 93 -17.643 -9.120 -8.808 743 HD11 ILE 93 3HD1 ILE 93 -14.118 -6.783 -11.698 744 HD12 ILE 93 1HD1 ILE 93 -14.356 -6.511 -9.981 745 HD13 ILE 93 2HD1 ILE 93 -15.764 -6.575 -11.062 746 H GLU 94 H GLU 94 -14.461 -10.567 -7.294 747 HA GLU 94 HA GLU 94 -16.732 -11.320 -5.796 748 HB2 GLU 94 2HB GLU 94 -13.892 -12.283 -5.489 749 HB3 GLU 94 1HB GLU 94 -15.282 -13.028 -4.714 750 HG2 GLU 94 2HG GLU 94 -14.767 -12.812 -7.669 751 HG3 GLU 94 1HG GLU 94 -14.643 -14.267 -6.691 752 H ILE 95 H ILE 95 -13.838 -9.602 -4.819 753 HA ILE 95 HA ILE 95 -14.485 -9.529 -2.033 754 HB ILE 95 HB ILE 95 -12.681 -7.672 -3.643 755 HG12 ILE 95 2HG1 ILE 95 -11.951 -10.107 -1.986 756 HG13 ILE 95 1HG1 ILE 95 -12.024 -10.068 -3.743 757 HG21 ILE 95 1HG2 ILE 95 -13.379 -6.708 -1.501 758 HG22 ILE 95 2HG2 ILE 95 -11.659 -7.089 -1.517 759 HG23 ILE 95 3HG2 ILE 95 -12.788 -8.144 -0.664 760 HD11 ILE 95 3HD1 ILE 95 -10.213 -8.427 -3.782 761 HD12 ILE 95 1HD1 ILE 95 -9.733 -9.896 -2.934 762 HD13 ILE 95 2HD1 ILE 95 -10.154 -8.449 -2.023 763 H LEU 96 H LEU 96 -14.974 -7.441 -4.787 764 HA LEU 96 HA LEU 96 -16.091 -5.207 -3.576 765 HB2 LEU 96 2HB LEU 96 -15.342 -5.405 -5.938 766 HB3 LEU 96 1HB LEU 96 -16.753 -6.378 -6.274 767 HG LEU 96 HG LEU 96 -18.177 -4.418 -5.694 768 HD11 LEU 96 1HD1 LEU 96 -16.606 -3.251 -4.239 769 HD12 LEU 96 2HD1 LEU 96 -17.113 -2.217 -5.576 770 HD13 LEU 96 3HD1 LEU 96 -15.527 -2.993 -5.609 771 HD21 LEU 96 3HD2 LEU 96 -17.727 -3.206 -7.758 772 HD22 LEU 96 1HD2 LEU 96 -17.590 -4.945 -8.014 773 HD23 LEU 96 2HD2 LEU 96 -16.135 -3.960 -7.868 774 H LYS 97 H LYS 97 -17.619 -8.157 -4.775 775 HA LYS 97 HA LYS 97 -20.312 -7.527 -4.204 776 HB2 LYS 97 2HB LYS 97 -18.918 -10.199 -4.199 777 HB3 LYS 97 1HB LYS 97 -20.656 -9.989 -4.115 778 HG2 LYS 97 2HG LYS 97 -20.702 -9.048 -6.318 779 HG3 LYS 97 1HG LYS 97 -18.936 -9.048 -6.394 780 HD2 LYS 97 2HD LYS 97 -18.925 -11.487 -6.218 781 HD3 LYS 97 1HD LYS 97 -20.682 -11.489 -6.112 782 HE2 LYS 97 2HE LYS 97 -20.875 -10.629 -8.338 783 HE3 LYS 97 1HE LYS 97 -19.132 -10.400 -8.449 784 HZ1 LYS 97 3HZ LYS 97 -18.813 -12.741 -8.316 785 HZ2 LYS 97 1HZ LYS 97 -19.905 -12.442 -9.569 786 HZ3 LYS 97 2HZ LYS 97 -20.446 -13.024 -8.078 787 H LYS 98 H LYS 98 -17.757 -8.869 -2.266 788 HA LYS 98 HA LYS 98 -19.350 -9.744 -0.109 789 HB2 LYS 98 2HB LYS 98 -17.020 -10.480 -0.868 790 HB3 LYS 98 1HB LYS 98 -16.428 -9.081 0.010 791 HG2 LYS 98 2HG LYS 98 -17.216 -9.954 2.071 792 HG3 LYS 98 1HG LYS 98 -18.078 -11.263 1.245 793 HD2 LYS 98 2HD LYS 98 -15.844 -11.984 0.322 794 HD3 LYS 98 1HD LYS 98 -15.108 -10.834 1.441 795 HE2 LYS 98 2HE LYS 98 -16.049 -11.975 3.312 796 HE3 LYS 98 1HE LYS 98 -16.932 -13.087 2.255 797 HZ1 LYS 98 3HZ LYS 98 -14.006 -12.878 2.677 798 HZ2 LYS 98 1HZ LYS 98 -14.670 -13.789 1.408 799 HZ3 LYS 98 2HZ LYS 98 -14.997 -14.190 2.998 800 H VAL 99 H VAL 99 -17.517 -6.775 -0.737 801 HA VAL 99 HA VAL 99 -18.251 -5.668 1.819 802 HB VAL 99 HB VAL 99 -17.196 -3.597 1.156 803 HG11 VAL 99 1HG1 VAL 99 -14.927 -4.372 0.666 804 HG12 VAL 99 2HG1 VAL 99 -15.577 -5.962 0.254 805 HG13 VAL 99 3HG1 VAL 99 -15.731 -5.348 1.897 806 HG21 VAL 99 3HG2 VAL 99 -18.011 -3.484 -1.155 807 HG22 VAL 99 1HG2 VAL 99 -16.899 -4.772 -1.607 808 HG23 VAL 99 2HG2 VAL 99 -16.274 -3.207 -1.068 809 H SER 100 H SER 100 -19.783 -5.980 -1.175 810 HA SER 100 HA SER 100 -21.549 -3.782 -0.828 811 HB2 SER 100 2HB SER 100 -21.677 -6.222 -2.611 812 HB3 SER 100 1HB SER 100 -22.798 -4.863 -2.695 813 HG SER 100 HG SER 100 -20.018 -4.911 -3.253 814 H GLN 101 H GLN 101 -21.249 -6.941 0.395 815 HA GLN 101 HA GLN 101 -23.976 -6.966 1.439 816 HB2 GLN 101 2HB GLN 101 -21.706 -8.838 2.125 817 HB3 GLN 101 1HB GLN 101 -23.409 -9.099 2.421 818 HG2 GLN 101 2HG GLN 101 -22.124 -9.033 -0.309 819 HG3 GLN 101 1HG GLN 101 -22.445 -10.490 0.607 820 HE21 GLN 101 1HE2 GLN 101 -24.725 -7.723 0.266 821 HE22 GLN 101 2HE2 GLN 101 -25.855 -8.629 -0.640 822 H GLN 102 H GLN 102 -20.743 -7.209 2.862 823 HA GLN 102 HA GLN 102 -21.434 -5.119 4.752 824 HB2 GLN 102 2HB GLN 102 -20.661 -7.886 5.717 825 HB3 GLN 102 1HB GLN 102 -20.573 -6.453 6.720 826 HG2 GLN 102 2HG GLN 102 -23.010 -6.177 6.471 827 HG3 GLN 102 1HG GLN 102 -23.057 -7.672 5.536 828 HE21 GLN 102 1HE2 GLN 102 -22.581 -6.282 8.650 829 HE22 GLN 102 2HE2 GLN 102 -22.676 -7.727 9.573 830 H THR 103 H THR 103 -18.889 -7.521 5.066 831 HA THR 103 HA THR 103 -16.857 -5.720 4.068 832 HB THR 103 HB THR 103 -16.891 -6.594 6.983 833 HG1 THR 103 1HG THR 103 -18.018 -4.498 5.837 834 HG21 THR 103 3HG2 THR 103 -14.914 -4.857 5.496 835 HG22 THR 103 1HG2 THR 103 -14.612 -6.504 6.054 836 HG23 THR 103 2HG2 THR 103 -14.871 -5.210 7.224 837 H GLU 104 H GLU 104 -17.098 -8.472 6.286 838 HA GLU 104 HA GLU 104 -15.922 -10.315 4.430 839 HB2 GLU 104 2HB GLU 104 -14.413 -8.980 6.497 840 HB3 GLU 104 1HB GLU 104 -14.529 -10.695 6.866 841 HG2 GLU 104 2HG GLU 104 -13.429 -9.485 4.327 842 HG3 GLU 104 1HG GLU 104 -12.485 -10.149 5.660 843 H LYS 105 H LYS 105 -15.875 -12.472 5.670 844 HA LYS 105 HA LYS 105 -17.168 -14.140 6.607 845 HB2 LYS 105 2HB LYS 105 -17.151 -12.082 8.816 846 HB3 LYS 105 1HB LYS 105 -17.629 -13.762 9.032 847 HG2 LYS 105 2HG LYS 105 -15.420 -14.512 8.454 848 HG3 LYS 105 1HG LYS 105 -14.929 -12.864 8.061 849 HD2 LYS 105 2HD LYS 105 -15.255 -12.200 10.373 850 HD3 LYS 105 1HD LYS 105 -15.806 -13.829 10.778 851 HE2 LYS 105 2HE LYS 105 -13.654 -14.740 10.218 852 HE3 LYS 105 1HE LYS 105 -13.084 -13.173 9.660 853 HZ1 LYS 105 3HZ LYS 105 -12.319 -13.754 11.883 854 HZ2 LYS 105 1HZ LYS 105 -13.908 -13.778 12.447 855 HZ3 LYS 105 2HZ LYS 105 -13.217 -12.335 11.883 856 H THR 106 H THR 106 -18.729 -12.935 4.837 857 HA THR 106 HA THR 106 -20.983 -11.608 5.851 858 HB THR 106 HB THR 106 -21.618 -12.060 3.333 859 HG1 THR 106 1HG THR 106 -20.080 -13.072 2.290 860 HG21 THR 106 3HG2 THR 106 -19.302 -10.340 4.251 861 HG22 THR 106 1HG2 THR 106 -21.003 -9.877 4.287 862 HG23 THR 106 2HG2 THR 106 -20.179 -10.130 2.741 863 H THR 107 H THR 107 -20.437 -14.574 6.537 864 HA THR 107 HA THR 107 -23.033 -15.727 5.826 865 HB THR 107 HB THR 107 -20.703 -17.047 7.271 866 HG1 THR 107 1HG THR 107 -21.119 -16.368 4.581 867 HG21 THR 107 3HG2 THR 107 -22.922 -18.160 5.516 868 HG22 THR 107 1HG2 THR 107 -22.877 -18.254 7.276 869 HG23 THR 107 2HG2 THR 107 -21.668 -19.105 6.314 870 H THR 108 H THR 108 -22.842 -13.511 7.502 871 HA THR 108 HA THR 108 -22.558 -13.426 10.124 872 HB THR 108 HB THR 108 -24.908 -12.280 8.699 873 HG1 THR 108 1HG THR 108 -22.748 -10.830 8.142 874 HG21 THR 108 3HG2 THR 108 -22.780 -11.120 10.519 875 HG22 THR 108 1HG2 THR 108 -24.412 -11.569 11.019 876 HG23 THR 108 2HG2 THR 108 -24.171 -10.251 9.874 877 H VAL 109 H VAL 109 -23.578 -14.333 11.892 878 HA VAL 109 HA VAL 109 -25.966 -15.900 11.419 879 HB VAL 109 HB VAL 109 -25.597 -16.819 13.762 880 HG11 VAL 109 1HG1 VAL 109 -24.906 -18.054 11.785 881 HG12 VAL 109 2HG1 VAL 109 -23.735 -18.273 13.092 882 HG13 VAL 109 3HG1 VAL 109 -23.380 -17.171 11.761 883 HG21 VAL 109 3HG2 VAL 109 -22.939 -15.400 13.497 884 HG22 VAL 109 1HG2 VAL 109 -23.378 -16.538 14.770 885 HG23 VAL 109 2HG2 VAL 109 -24.209 -14.985 14.647 886 H LYS 110 H LYS 110 -27.794 -14.952 11.579 887 HA LYS 110 HA LYS 110 -28.385 -13.229 13.872 888 HB2 LYS 110 2HB LYS 110 -29.016 -12.606 10.984 889 HB3 LYS 110 1HB LYS 110 -29.650 -11.751 12.378 890 HG2 LYS 110 2HG LYS 110 -27.489 -10.864 12.902 891 HG3 LYS 110 1HG LYS 110 -26.718 -11.894 11.691 892 HD2 LYS 110 2HD LYS 110 -27.006 -9.582 10.876 893 HD3 LYS 110 1HD LYS 110 -27.912 -10.743 9.911 894 HE2 LYS 110 2HE LYS 110 -29.936 -10.179 11.264 895 HE3 LYS 110 1HE LYS 110 -29.010 -8.905 12.044 896 HZ1 LYS 110 3HZ LYS 110 -28.734 -7.861 9.870 897 HZ2 LYS 110 1HZ LYS 110 -30.359 -8.092 10.231 898 HZ3 LYS 110 2HZ LYS 110 -29.589 -9.117 9.147 899 H PHE 111 H PHE 111 -29.915 -14.520 14.826 900 HA PHE 111 HA PHE 111 -32.443 -14.779 13.640 901 HB2 PHE 111 2HB PHE 111 -31.171 -16.697 12.508 902 HB3 PHE 111 1HB PHE 111 -30.991 -17.404 14.105 903 HD1 PHE 111 2HD PHE 111 -33.561 -16.223 11.704 904 HD2 PHE 111 1HD PHE 111 -32.631 -18.841 14.924 905 HE1 PHE 111 2HE PHE 111 -35.737 -17.328 11.427 906 HE2 PHE 111 1HE PHE 111 -34.804 -19.950 14.646 907 HZ PHE 111 HZ PHE 111 -36.362 -19.195 12.902 908 H ASN 112 H ASN 112 -33.940 -15.515 15.225 909 HA ASN 112 HA ASN 112 -33.369 -14.700 17.808 910 HB2 ASN 112 2HB ASN 112 -35.581 -15.685 18.445 911 HB3 ASN 112 1HB ASN 112 -35.647 -14.629 17.047 912 HD21 ASN 112 1HD2 ASN 112 -36.132 -17.812 18.234 913 HD22 ASN 112 2HD2 ASN 112 -36.741 -18.508 16.796 Start of MODEL 7 1 H1 GLY 0 1HT GLY 0 42.567 4.466 17.652 2 H2 GLY 0 2HT GLY 0 40.927 4.761 17.321 3 H3 GLY 0 3HT GLY 0 42.166 5.489 16.381 4 HA2 GLY 0 1HA GLY 0 41.709 2.599 16.510 5 HA3 GLY 0 2HA GLY 0 41.160 3.656 15.211 6 H SER 1 H SER 1 42.483 2.732 13.681 7 HA SER 1 HA SER 1 45.328 2.813 14.133 8 HB2 SER 1 2HB SER 1 43.741 2.012 11.680 9 HB3 SER 1 1HB SER 1 45.466 1.734 11.949 10 HG SER 1 HG SER 1 43.319 0.668 13.469 11 H ALA 2 H ALA 2 46.571 4.468 13.409 12 HA ALA 2 HA ALA 2 45.444 6.958 12.873 13 HB1 ALA 2 1HB ALA 2 48.265 6.071 12.321 14 HB2 ALA 2 2HB ALA 2 47.660 6.662 13.866 15 HB3 ALA 2 3HB ALA 2 47.713 7.735 12.469 16 H ASP 3 H ASP 3 46.836 4.623 10.667 17 HA ASP 3 HA ASP 3 46.726 6.095 8.282 18 HB2 ASP 3 2HB ASP 3 47.902 3.975 8.384 19 HB3 ASP 3 1HB ASP 3 46.400 3.121 8.726 20 H GLU 4 H GLU 4 44.363 4.005 9.780 21 HA GLU 4 HA GLU 4 42.418 4.187 7.739 22 HB2 GLU 4 2HB GLU 4 42.577 2.314 9.351 23 HB3 GLU 4 1HB GLU 4 42.158 3.400 10.654 24 HG2 GLU 4 2HG GLU 4 40.306 2.804 8.354 25 HG3 GLU 4 1HG GLU 4 40.354 1.834 9.817 26 H GLU 5 H GLU 5 42.766 5.737 10.909 27 HA GLU 5 HA GLU 5 40.515 7.362 10.803 28 HB2 GLU 5 2HB GLU 5 43.146 7.800 12.207 29 HB3 GLU 5 1HB GLU 5 41.763 8.864 12.401 30 HG2 GLU 5 2HG GLU 5 40.458 6.984 13.291 31 HG3 GLU 5 1HG GLU 5 41.868 5.940 13.109 32 H LEU 6 H LEU 6 43.713 7.855 9.465 33 HA LEU 6 HA LEU 6 43.399 10.565 8.790 34 HB2 LEU 6 2HB LEU 6 45.559 9.211 8.924 35 HB3 LEU 6 1HB LEU 6 45.135 8.528 7.378 36 HG LEU 6 HG LEU 6 46.876 10.293 7.263 37 HD11 LEU 6 1HD1 LEU 6 45.980 11.571 5.403 38 HD12 LEU 6 2HD1 LEU 6 44.351 11.022 5.810 39 HD13 LEU 6 3HD1 LEU 6 45.568 9.860 5.280 40 HD21 LEU 6 3HD2 LEU 6 46.084 11.711 9.068 41 HD22 LEU 6 1HD2 LEU 6 44.669 12.158 8.115 42 HD23 LEU 6 2HD2 LEU 6 46.281 12.627 7.576 43 H GLU 7 H GLU 7 42.823 7.556 6.934 44 HA GLU 7 HA GLU 7 41.986 9.012 4.658 45 HB2 GLU 7 2HB GLU 7 42.844 6.671 4.483 46 HB3 GLU 7 1HB GLU 7 41.369 6.130 5.289 47 HG2 GLU 7 2HG GLU 7 40.009 6.903 3.476 48 HG3 GLU 7 1HG GLU 7 41.398 7.629 2.685 49 H ALA 8 H ALA 8 40.354 7.638 7.423 50 HA ALA 8 HA ALA 8 37.695 7.974 6.528 51 HB1 ALA 8 1HB ALA 8 37.068 7.848 8.886 52 HB2 ALA 8 2HB ALA 8 38.745 8.115 9.354 53 HB3 ALA 8 3HB ALA 8 38.289 6.635 8.510 54 H LEU 9 H LEU 9 39.938 10.110 8.178 55 HA LEU 9 HA LEU 9 38.256 12.311 8.564 56 HB2 LEU 9 2HB LEU 9 40.472 11.970 9.636 57 HB3 LEU 9 1HB LEU 9 41.250 12.166 8.093 58 HG LEU 9 HG LEU 9 39.714 14.415 9.416 59 HD11 LEU 9 1HD1 LEU 9 42.648 13.738 9.645 60 HD12 LEU 9 2HD1 LEU 9 41.461 13.638 10.945 61 HD13 LEU 9 3HD1 LEU 9 41.878 15.204 10.250 62 HD21 LEU 9 3HD2 LEU 9 41.157 15.818 8.007 63 HD22 LEU 9 1HD2 LEU 9 40.223 14.691 7.025 64 HD23 LEU 9 2HD2 LEU 9 41.924 14.372 7.351 65 H ARG 10 H ARG 10 40.407 11.430 5.910 66 HA ARG 10 HA ARG 10 39.931 13.616 4.223 67 HB2 ARG 10 2HB ARG 10 41.775 12.082 3.849 68 HB3 ARG 10 1HB ARG 10 40.653 10.768 3.555 69 HG2 ARG 10 2HG ARG 10 39.902 11.806 1.511 70 HG3 ARG 10 1HG ARG 10 40.918 13.221 1.820 71 HD2 ARG 10 2HD ARG 10 41.903 10.399 1.459 72 HD3 ARG 10 1HD ARG 10 41.967 11.662 0.221 73 HE ARG 10 HE ARG 10 43.248 12.870 2.111 74 HH11 ARG 10 1HH1 ARG 10 43.599 9.471 1.176 75 HH12 ARG 10 2HH1 ARG 10 45.187 9.336 1.744 76 HH21 ARG 10 1HH2 ARG 10 45.427 12.690 2.886 77 HH22 ARG 10 2HH2 ARG 10 46.275 11.234 2.700 78 H ARG 11 H ARG 11 38.315 10.494 4.443 79 HA ARG 11 HA ARG 11 36.511 10.816 2.304 80 HB2 ARG 11 2HB ARG 11 36.148 9.241 4.859 81 HB3 ARG 11 1HB ARG 11 35.121 9.097 3.445 82 HG2 ARG 11 2HG ARG 11 36.957 8.201 2.154 83 HG3 ARG 11 1HG ARG 11 38.068 8.467 3.499 84 HD2 ARG 11 2HD ARG 11 36.772 6.931 4.877 85 HD3 ARG 11 1HD ARG 11 35.667 6.636 3.525 86 HE ARG 11 HE ARG 11 38.468 6.075 3.067 87 HH11 ARG 11 1HH1 ARG 11 35.322 4.762 4.039 88 HH12 ARG 11 2HH1 ARG 11 35.722 3.152 3.698 89 HH21 ARG 11 1HH2 ARG 11 39.076 3.852 2.741 90 HH22 ARG 11 2HH2 ARG 11 37.926 2.605 2.938 91 H GLN 12 H GLN 12 36.227 11.638 5.722 92 HA GLN 12 HA GLN 12 33.598 12.604 5.614 93 HB2 GLN 12 2HB GLN 12 34.727 12.096 7.726 94 HB3 GLN 12 1HB GLN 12 35.857 13.413 7.447 95 HG2 GLN 12 2HG GLN 12 34.052 15.028 7.600 96 HG3 GLN 12 1HG GLN 12 32.885 13.723 7.812 97 HE21 GLN 12 1HE2 GLN 12 32.778 12.679 9.765 98 HE22 GLN 12 2HE2 GLN 12 33.574 13.251 11.181 99 H ARG 13 H ARG 13 36.706 14.290 5.382 100 HA ARG 13 HA ARG 13 35.673 16.851 4.978 101 HB2 ARG 13 2HB ARG 13 38.295 15.632 4.131 102 HB3 ARG 13 1HB ARG 13 37.903 17.309 3.802 103 HG2 ARG 13 2HG ARG 13 38.087 16.039 6.534 104 HG3 ARG 13 1HG ARG 13 39.288 17.101 5.798 105 HD2 ARG 13 2HD ARG 13 37.519 18.859 5.634 106 HD3 ARG 13 1HD ARG 13 36.459 17.810 6.567 107 HE ARG 13 HE ARG 13 39.012 18.473 7.727 108 HH11 ARG 13 1HH1 ARG 13 35.493 19.078 7.656 109 HH12 ARG 13 2HH1 ARG 13 35.499 20.071 9.035 110 HH21 ARG 13 1HH2 ARG 13 38.998 19.848 9.631 111 HH22 ARG 13 2HH2 ARG 13 37.545 20.521 10.185 112 H LEU 14 H LEU 14 36.392 14.328 2.661 113 HA LEU 14 HA LEU 14 35.919 15.772 0.301 114 HB2 LEU 14 2HB LEU 14 37.016 13.465 0.694 115 HB3 LEU 14 1HB LEU 14 35.396 12.826 0.750 116 HG LEU 14 HG LEU 14 36.512 12.397 -1.391 117 HD11 LEU 14 1HD1 LEU 14 34.816 13.193 -2.937 118 HD12 LEU 14 2HD1 LEU 14 34.184 14.264 -1.685 119 HD13 LEU 14 3HD1 LEU 14 34.126 12.513 -1.465 120 HD21 LEU 14 3HD2 LEU 14 37.013 14.180 -2.939 121 HD22 LEU 14 1HD2 LEU 14 37.946 14.344 -1.456 122 HD23 LEU 14 2HD2 LEU 14 36.543 15.379 -1.737 123 H ALA 15 H ALA 15 33.808 13.844 2.410 124 HA ALA 15 HA ALA 15 31.506 14.009 0.811 125 HB1 ALA 15 1HB ALA 15 31.686 13.541 3.785 126 HB2 ALA 15 2HB ALA 15 31.819 12.300 2.540 127 HB3 ALA 15 3HB ALA 15 30.303 13.178 2.752 128 H GLU 16 H GLU 16 32.647 15.997 3.512 129 HA GLU 16 HA GLU 16 30.378 17.632 3.844 130 HB2 GLU 16 2HB GLU 16 33.232 18.479 4.104 131 HB3 GLU 16 1HB GLU 16 31.840 19.255 4.835 132 HG2 GLU 16 2HG GLU 16 31.456 17.199 6.086 133 HG3 GLU 16 1HG GLU 16 32.970 16.567 5.455 134 H LEU 17 H LEU 17 33.189 17.925 1.888 135 HA LEU 17 HA LEU 17 32.790 20.474 0.786 136 HB2 LEU 17 2HB LEU 17 34.908 19.083 0.716 137 HB3 LEU 17 1HB LEU 17 34.178 18.122 -0.536 138 HG LEU 17 HG LEU 17 35.887 19.741 -1.345 139 HD11 LEU 17 1HD1 LEU 17 34.249 18.950 -2.919 140 HD12 LEU 17 2HD1 LEU 17 34.661 20.632 -3.251 141 HD13 LEU 17 3HD1 LEU 17 33.139 20.236 -2.448 142 HD21 LEU 17 3HD2 LEU 17 35.473 21.559 0.206 143 HD22 LEU 17 1HD2 LEU 17 33.887 21.838 -0.517 144 HD23 LEU 17 2HD2 LEU 17 35.348 22.124 -1.461 145 H GLN 18 H GLN 18 31.562 17.329 -0.146 146 HA GLN 18 HA GLN 18 30.226 18.489 -2.465 147 HB2 GLN 18 2HB GLN 18 30.487 15.622 -1.596 148 HB3 GLN 18 1HB GLN 18 29.728 16.180 -3.080 149 HG2 GLN 18 2HG GLN 18 31.851 17.131 -3.814 150 HG3 GLN 18 1HG GLN 18 32.617 16.558 -2.335 151 HE21 GLN 18 1HE2 GLN 18 33.206 15.925 -5.099 152 HE22 GLN 18 2HE2 GLN 18 33.032 14.204 -5.228 153 H ALA 19 H ALA 19 29.567 18.400 0.624 154 HA ALA 19 HA ALA 19 27.786 18.677 1.913 155 HB1 ALA 19 1HB ALA 19 27.044 20.223 0.145 156 HB2 ALA 19 2HB ALA 19 25.684 19.454 0.968 157 HB3 ALA 19 3HB ALA 19 26.179 18.900 -0.632 158 H LYS 20 H LYS 20 25.468 17.813 2.421 159 HA LYS 20 HA LYS 20 25.374 14.956 1.847 160 HB2 LYS 20 2HB LYS 20 24.680 16.526 4.326 161 HB3 LYS 20 1HB LYS 20 24.347 14.827 4.094 162 HG2 LYS 20 2HG LYS 20 27.081 16.096 4.211 163 HG3 LYS 20 1HG LYS 20 26.277 15.280 5.548 164 HD2 LYS 20 2HD LYS 20 26.195 13.224 4.084 165 HD3 LYS 20 1HD LYS 20 27.256 14.084 2.965 166 HE2 LYS 20 2HE LYS 20 28.583 12.677 4.424 167 HE3 LYS 20 1HE LYS 20 28.899 14.371 4.772 168 HZ1 LYS 20 3HZ LYS 20 28.643 13.081 6.795 169 HZ2 LYS 20 1HZ LYS 20 27.095 12.606 6.344 170 HZ3 LYS 20 2HZ LYS 20 27.404 14.225 6.691 171 H HIS 21 H HIS 21 23.018 14.255 2.317 172 HA HIS 21 HA HIS 21 21.136 16.430 1.895 173 HB2 HIS 21 2HB HIS 21 21.523 15.223 -0.308 174 HB3 HIS 21 1HB HIS 21 20.847 13.780 0.437 175 HD1 HIS 21 1HD HIS 21 18.640 13.553 -0.788 176 HD2 HIS 21 2HD HIS 21 19.284 17.409 0.593 177 HE1 HIS 21 1HE HIS 21 16.564 14.838 -1.361 178 HE2 HIS 21 2HE HIS 21 17.131 17.214 -0.787 179 H GLY 22 H GLY 22 21.060 16.208 4.120 180 HA2 GLY 22 2HA GLY 22 19.081 14.203 4.954 181 HA3 GLY 22 1HA GLY 22 20.485 14.554 5.966 182 H ASP 23 H ASP 23 19.195 16.963 4.039 183 HA ASP 23 HA ASP 23 18.469 18.567 6.340 184 HB2 ASP 23 2HB ASP 23 18.545 20.425 4.695 185 HB3 ASP 23 1HB ASP 23 20.045 19.501 4.706 186 HA PRO 24 HA PRO 24 14.128 18.345 5.179 187 HB2 PRO 24 2HB PRO 24 13.494 20.977 6.100 188 HB3 PRO 24 1HB PRO 24 13.367 19.472 7.009 189 HG2 PRO 24 2HG PRO 24 15.138 21.504 7.612 190 HG3 PRO 24 1HG PRO 24 15.364 19.812 8.075 191 HD2 PRO 24 2HD PRO 24 16.523 21.308 5.756 192 HD3 PRO 24 1HD PRO 24 17.308 20.165 6.867 193 H GLY 25 H GLY 25 15.838 19.333 3.007 194 HA2 GLY 25 2HA GLY 25 14.770 21.628 1.776 195 HA3 GLY 25 1HA GLY 25 15.717 20.382 0.988 196 H ASP 26 H ASP 26 14.040 21.343 -0.602 197 HA ASP 26 HA ASP 26 11.325 20.846 -0.584 198 HB2 ASP 26 2HB ASP 26 12.372 22.294 -2.221 199 HB3 ASP 26 1HB ASP 26 13.180 20.918 -2.962 200 H ALA 27 H ALA 27 13.842 18.728 -1.849 201 HA ALA 27 HA ALA 27 12.055 16.806 -2.886 202 HB1 ALA 27 1HB ALA 27 13.961 15.326 -3.110 203 HB2 ALA 27 2HB ALA 27 14.908 16.339 -2.026 204 HB3 ALA 27 3HB ALA 27 14.411 16.961 -3.600 205 H ALA 28 H ALA 28 13.506 17.205 0.280 206 HA ALA 28 HA ALA 28 12.885 14.628 1.247 207 HB1 ALA 28 1HB ALA 28 14.569 16.063 2.315 208 HB2 ALA 28 2HB ALA 28 13.338 15.550 3.470 209 HB3 ALA 28 3HB ALA 28 13.299 17.184 2.806 210 H GLN 29 H GLN 29 11.143 17.647 1.146 211 HA GLN 29 HA GLN 29 8.999 16.778 2.779 212 HB2 GLN 29 2HB GLN 29 9.048 19.010 0.740 213 HB3 GLN 29 1HB GLN 29 7.813 18.774 1.970 214 HG2 GLN 29 2HG GLN 29 10.719 19.400 2.458 215 HG3 GLN 29 1HG GLN 29 9.374 20.524 2.597 216 HE21 GLN 29 1HE2 GLN 29 7.601 18.529 3.902 217 HE22 GLN 29 2HE2 GLN 29 8.229 18.381 5.499 218 H GLN 30 H GLN 30 9.491 17.063 -0.690 219 HA GLN 30 HA GLN 30 6.948 16.171 -1.477 220 HB2 GLN 30 2HB GLN 30 8.513 17.367 -2.967 221 HB3 GLN 30 1HB GLN 30 9.540 15.944 -3.009 222 HG2 GLN 30 2HG GLN 30 8.193 16.070 -5.022 223 HG3 GLN 30 1HG GLN 30 7.738 14.672 -4.059 224 HE21 GLN 30 1HE2 GLN 30 5.727 14.611 -3.078 225 HE22 GLN 30 2HE2 GLN 30 4.469 15.730 -3.485 226 H GLU 31 H GLU 31 9.976 14.383 -0.973 227 HA GLU 31 HA GLU 31 8.973 11.914 -1.838 228 HB2 GLU 31 2HB GLU 31 11.226 12.469 0.093 229 HB3 GLU 31 1HB GLU 31 10.850 10.882 -0.557 230 HG2 GLU 31 2HG GLU 31 11.752 13.298 -2.109 231 HG3 GLU 31 1HG GLU 31 12.691 11.851 -1.762 232 H ALA 32 H ALA 32 8.940 13.451 1.342 233 HA ALA 32 HA ALA 32 8.028 11.232 2.803 234 HB1 ALA 32 1HB ALA 32 7.474 14.158 3.304 235 HB2 ALA 32 2HB ALA 32 8.886 13.264 3.869 236 HB3 ALA 32 3HB ALA 32 7.282 12.856 4.478 237 H LYS 33 H LYS 33 6.310 13.747 1.081 238 HA LYS 33 HA LYS 33 3.628 13.010 1.713 239 HB2 LYS 33 2HB LYS 33 4.501 15.171 0.680 240 HB3 LYS 33 1HB LYS 33 4.695 14.290 -0.819 241 HG2 LYS 33 2HG LYS 33 2.665 15.418 -1.082 242 HG3 LYS 33 1HG LYS 33 2.224 13.767 -0.596 243 HD2 LYS 33 2HD LYS 33 1.767 14.428 1.624 244 HD3 LYS 33 1HD LYS 33 2.511 16.002 1.387 245 HE2 LYS 33 2HE LYS 33 0.092 16.225 1.405 246 HE3 LYS 33 1HE LYS 33 0.732 16.616 -0.178 247 HZ1 LYS 33 3HZ LYS 33 -0.569 14.078 0.608 248 HZ2 LYS 33 1HZ LYS 33 0.063 14.391 -0.933 249 HZ3 LYS 33 2HZ LYS 33 -1.238 15.283 -0.349 250 H HIS 34 H HIS 34 5.841 12.148 -0.881 251 HA HIS 34 HA HIS 34 4.097 10.513 -2.386 252 HB2 HIS 34 2HB HIS 34 6.207 11.423 -3.277 253 HB3 HIS 34 1HB HIS 34 7.119 10.439 -2.147 254 HD1 HIS 34 1HD HIS 34 5.009 10.142 -5.273 255 HD2 HIS 34 2HD HIS 34 7.659 7.876 -3.022 256 HE1 HIS 34 1HE HIS 34 5.488 8.118 -6.649 257 HE2 HIS 34 2HE HIS 34 7.342 6.981 -5.426 258 H ARG 35 H ARG 35 6.312 9.849 0.267 259 HA ARG 35 HA ARG 35 5.941 7.045 0.272 260 HB2 ARG 35 2HB ARG 35 6.915 8.888 2.463 261 HB3 ARG 35 1HB ARG 35 6.946 7.133 2.571 262 HG2 ARG 35 2HG ARG 35 8.471 7.031 0.673 263 HG3 ARG 35 1HG ARG 35 8.395 8.783 0.510 264 HD2 ARG 35 2HD ARG 35 10.431 8.185 1.656 265 HD3 ARG 35 1HD ARG 35 9.353 9.000 2.782 266 HE ARG 35 HE ARG 35 8.990 6.217 2.936 267 HH11 ARG 35 1HH1 ARG 35 11.348 8.702 3.879 268 HH12 ARG 35 2HH1 ARG 35 11.991 7.822 5.171 269 HH21 ARG 35 1HH2 ARG 35 9.875 5.003 4.698 270 HH22 ARG 35 2HH2 ARG 35 11.110 5.670 5.674 271 H GLU 36 H GLU 36 4.155 9.701 1.709 272 HA GLU 36 HA GLU 36 2.639 8.203 3.542 273 HB2 GLU 36 2HB GLU 36 1.912 10.690 2.002 274 HB3 GLU 36 1HB GLU 36 0.933 10.027 3.310 275 HG2 GLU 36 2HG GLU 36 3.007 10.381 4.750 276 HG3 GLU 36 1HG GLU 36 3.638 11.291 3.385 277 H ALA 37 H ALA 37 2.172 8.956 0.157 278 HA ALA 37 HA ALA 37 -0.298 7.619 -0.101 279 HB1 ALA 37 1HB ALA 37 1.735 8.302 -2.225 280 HB2 ALA 37 2HB ALA 37 0.420 9.345 -1.683 281 HB3 ALA 37 3HB ALA 37 0.059 7.833 -2.515 282 H GLU 38 H GLU 38 3.069 6.716 -0.773 283 HA GLU 38 HA GLU 38 2.658 4.210 -1.899 284 HB2 GLU 38 2HB GLU 38 4.943 5.094 -0.174 285 HB3 GLU 38 1HB GLU 38 4.906 3.599 -1.088 286 HG2 GLU 38 2HG GLU 38 4.692 4.952 -3.148 287 HG3 GLU 38 1HG GLU 38 4.905 6.398 -2.155 288 H MET 39 H MET 39 2.817 5.127 1.475 289 HA MET 39 HA MET 39 3.150 2.696 2.715 290 HB2 MET 39 2HB MET 39 3.034 4.826 3.913 291 HB3 MET 39 1HB MET 39 1.322 4.950 3.548 292 HG2 MET 39 2HG MET 39 0.875 2.992 4.921 293 HG3 MET 39 1HG MET 39 2.599 2.828 5.262 294 HE1 MET 39 3HE MET 39 1.105 4.023 8.670 295 HE2 MET 39 1HE MET 39 2.053 2.782 7.854 296 HE3 MET 39 2HE MET 39 0.335 2.957 7.495 297 H ARG 40 H ARG 40 0.031 4.110 1.768 298 HA ARG 40 HA ARG 40 -1.357 1.644 2.231 299 HB2 ARG 40 2HB ARG 40 -2.203 4.173 0.858 300 HB3 ARG 40 1HB ARG 40 -3.255 2.781 1.049 301 HG2 ARG 40 2HG ARG 40 -3.000 3.013 3.509 302 HG3 ARG 40 1HG ARG 40 -2.075 4.492 3.228 303 HD2 ARG 40 2HD ARG 40 -3.967 5.494 2.092 304 HD3 ARG 40 1HD ARG 40 -4.883 3.997 2.264 305 HE ARG 40 HE ARG 40 -3.929 5.443 4.617 306 HH11 ARG 40 1HH1 ARG 40 -6.672 4.270 2.660 307 HH12 ARG 40 2HH1 ARG 40 -7.827 4.541 3.874 308 HH21 ARG 40 1HH2 ARG 40 -5.549 5.840 6.271 309 HH22 ARG 40 2HH2 ARG 40 -7.171 5.459 5.979 310 H ASN 41 H ASN 41 -0.329 3.450 -0.610 311 HA ASN 41 HA ASN 41 -1.669 1.923 -2.520 312 HB2 ASN 41 2HB ASN 41 -0.757 4.213 -2.876 313 HB3 ASN 41 1HB ASN 41 0.847 3.502 -3.009 314 HD21 ASN 41 1HD2 ASN 41 1.208 4.014 -5.134 315 HD22 ASN 41 2HD2 ASN 41 0.274 3.382 -6.431 316 H SER 42 H SER 42 1.619 1.481 -1.250 317 HA SER 42 HA SER 42 2.575 -0.093 -3.337 318 HB2 SER 42 2HB SER 42 4.286 -0.888 -1.676 319 HB3 SER 42 1HB SER 42 4.123 0.866 -1.781 320 HG SER 42 HG SER 42 3.127 0.922 0.124 321 H ILE 43 H ILE 43 1.168 -1.190 -0.276 322 HA ILE 43 HA ILE 43 1.412 -3.903 -0.972 323 HB ILE 43 HB ILE 43 -0.287 -4.362 0.840 324 HG12 ILE 43 2HG1 ILE 43 -0.119 -1.355 1.200 325 HG13 ILE 43 1HG1 ILE 43 -1.548 -2.269 0.736 326 HG21 ILE 43 1HG2 ILE 43 2.105 -2.686 1.559 327 HG22 ILE 43 2HG2 ILE 43 2.093 -4.426 1.270 328 HG23 ILE 43 3HG2 ILE 43 1.239 -3.755 2.661 329 HD11 ILE 43 3HD1 ILE 43 -1.647 -1.598 3.049 330 HD12 ILE 43 1HD1 ILE 43 -0.120 -2.418 3.382 331 HD13 ILE 43 2HD1 ILE 43 -1.541 -3.358 2.928 332 H LEU 44 H LEU 44 -1.116 -1.612 -1.498 333 HA LEU 44 HA LEU 44 -3.072 -3.414 -2.457 334 HB2 LEU 44 2HB LEU 44 -2.671 -0.489 -3.063 335 HB3 LEU 44 1HB LEU 44 -4.118 -1.406 -3.423 336 HG LEU 44 HG LEU 44 -3.056 -0.887 -0.648 337 HD11 LEU 44 1HD1 LEU 44 -3.861 1.145 -1.698 338 HD12 LEU 44 2HD1 LEU 44 -4.955 0.614 -0.422 339 HD13 LEU 44 3HD1 LEU 44 -5.377 0.345 -2.113 340 HD21 LEU 44 3HD2 LEU 44 -5.251 -1.751 0.057 341 HD22 LEU 44 1HD2 LEU 44 -4.282 -2.966 -0.775 342 HD23 LEU 44 2HD2 LEU 44 -5.602 -2.165 -1.621 343 H ALA 45 H ALA 45 -0.812 -1.284 -4.172 344 HA ALA 45 HA ALA 45 -1.532 -2.192 -6.749 345 HB1 ALA 45 1HB ALA 45 -0.606 0.034 -6.315 346 HB2 ALA 45 2HB ALA 45 0.296 -0.837 -7.558 347 HB3 ALA 45 3HB ALA 45 0.951 -0.701 -5.927 348 H GLN 46 H GLN 46 0.658 -3.514 -4.432 349 HA GLN 46 HA GLN 46 2.107 -5.010 -6.439 350 HB2 GLN 46 2HB GLN 46 2.094 -5.313 -3.434 351 HB3 GLN 46 1HB GLN 46 3.106 -6.239 -4.524 352 HG2 GLN 46 2HG GLN 46 3.208 -3.245 -4.219 353 HG3 GLN 46 1HG GLN 46 4.256 -4.372 -3.377 354 HE21 GLN 46 1HE2 GLN 46 6.030 -3.401 -4.257 355 HE22 GLN 46 2HE2 GLN 46 6.523 -3.639 -5.883 356 H VAL 47 H VAL 47 -0.536 -5.619 -4.168 357 HA VAL 47 HA VAL 47 -0.630 -8.363 -5.065 358 HB VAL 47 HB VAL 47 -2.481 -8.750 -3.531 359 HG11 VAL 47 1HG1 VAL 47 -0.257 -8.974 -2.652 360 HG12 VAL 47 2HG1 VAL 47 -1.333 -8.338 -1.403 361 HG13 VAL 47 3HG1 VAL 47 -0.216 -7.261 -2.235 362 HG21 VAL 47 3HG2 VAL 47 -3.275 -7.002 -1.980 363 HG22 VAL 47 1HG2 VAL 47 -3.643 -6.606 -3.658 364 HG23 VAL 47 2HG2 VAL 47 -2.302 -5.810 -2.839 365 H LEU 48 H LEU 48 -2.479 -5.451 -5.607 366 HA LEU 48 HA LEU 48 -4.407 -6.874 -7.192 367 HB2 LEU 48 2HB LEU 48 -3.770 -3.932 -7.060 368 HB3 LEU 48 1HB LEU 48 -5.111 -4.636 -7.943 369 HG LEU 48 HG LEU 48 -4.753 -4.692 -4.936 370 HD11 LEU 48 1HD1 LEU 48 -5.225 -2.454 -5.740 371 HD12 LEU 48 2HD1 LEU 48 -6.621 -3.118 -4.890 372 HD13 LEU 48 3HD1 LEU 48 -6.609 -3.058 -6.650 373 HD21 LEU 48 3HD2 LEU 48 -5.994 -6.621 -5.748 374 HD22 LEU 48 1HD2 LEU 48 -7.055 -5.543 -6.665 375 HD23 LEU 48 2HD2 LEU 48 -7.054 -5.490 -4.899 376 H ASP 49 H ASP 49 -4.156 -7.437 -9.225 377 HA ASP 49 HA ASP 49 -1.799 -6.871 -10.665 378 HB2 ASP 49 2HB ASP 49 -3.167 -8.864 -11.181 379 HB3 ASP 49 1HB ASP 49 -4.506 -7.829 -11.645 380 H GLN 50 H GLN 50 -1.671 -5.607 -12.541 381 HA GLN 50 HA GLN 50 -2.384 -2.955 -12.406 382 HB2 GLN 50 2HB GLN 50 -0.669 -3.771 -13.889 383 HB3 GLN 50 1HB GLN 50 -1.853 -4.641 -14.850 384 HG2 GLN 50 2HG GLN 50 -2.860 -2.471 -15.466 385 HG3 GLN 50 1HG GLN 50 -1.550 -1.664 -14.601 386 HE21 GLN 50 1HE2 GLN 50 -2.291 -1.654 -17.416 387 HE22 GLN 50 2HE2 GLN 50 -0.905 -2.176 -18.299 388 H SER 51 H SER 51 -4.209 -5.605 -13.866 389 HA SER 51 HA SER 51 -6.100 -3.860 -15.136 390 HB2 SER 51 2HB SER 51 -6.365 -6.832 -14.607 391 HB3 SER 51 1HB SER 51 -7.271 -5.877 -15.769 392 HG SER 51 HG SER 51 -4.492 -6.405 -15.795 393 H ALA 52 H ALA 52 -5.864 -5.568 -12.113 394 HA ALA 52 HA ALA 52 -8.592 -5.169 -11.337 395 HB1 ALA 52 1HB ALA 52 -7.280 -7.028 -10.427 396 HB2 ALA 52 2HB ALA 52 -7.872 -5.979 -9.142 397 HB3 ALA 52 3HB ALA 52 -6.186 -5.883 -9.658 398 H ARG 53 H ARG 53 -5.521 -3.557 -10.787 399 HA ARG 53 HA ARG 53 -6.427 -1.636 -8.940 400 HB2 ARG 53 2HB ARG 53 -4.027 -2.278 -9.693 401 HB3 ARG 53 1HB ARG 53 -4.299 -1.164 -11.007 402 HG2 ARG 53 2HG ARG 53 -3.086 -0.036 -9.305 403 HG3 ARG 53 1HG ARG 53 -4.714 0.653 -9.369 404 HD2 ARG 53 2HD ARG 53 -5.316 -0.826 -7.385 405 HD3 ARG 53 1HD ARG 53 -3.663 -1.368 -7.394 406 HE ARG 53 HE ARG 53 -3.008 0.958 -6.943 407 HH11 ARG 53 1HH1 ARG 53 -6.373 0.107 -6.165 408 HH12 ARG 53 2HH1 ARG 53 -6.405 1.087 -4.757 409 HH21 ARG 53 1HH2 ARG 53 -3.124 2.244 -4.987 410 HH22 ARG 53 2HH2 ARG 53 -4.583 2.298 -4.086 411 H ALA 54 H ALA 54 -6.171 -1.694 -12.460 412 HA ALA 54 HA ALA 54 -7.209 0.858 -12.998 413 HB1 ALA 54 1HB ALA 54 -6.063 -0.508 -14.694 414 HB2 ALA 54 2HB ALA 54 -7.641 0.038 -15.261 415 HB3 ALA 54 3HB ALA 54 -7.428 -1.623 -14.708 416 H ARG 55 H ARG 55 -8.908 -2.316 -12.777 417 HA ARG 55 HA ARG 55 -11.490 -1.495 -13.231 418 HB2 ARG 55 2HB ARG 55 -10.602 -3.821 -12.973 419 HB3 ARG 55 1HB ARG 55 -10.547 -3.547 -11.241 420 HG2 ARG 55 2HG ARG 55 -12.535 -4.715 -11.584 421 HG3 ARG 55 1HG ARG 55 -13.026 -3.025 -11.423 422 HD2 ARG 55 2HD ARG 55 -12.616 -4.436 -14.055 423 HD3 ARG 55 1HD ARG 55 -14.156 -4.263 -13.242 424 HE ARG 55 HE ARG 55 -14.035 -1.888 -13.617 425 HH11 ARG 55 1HH1 ARG 55 -11.579 -3.754 -15.364 426 HH12 ARG 55 2HH1 ARG 55 -11.485 -2.661 -16.663 427 HH21 ARG 55 1HH2 ARG 55 -13.926 -0.419 -15.468 428 HH22 ARG 55 2HH2 ARG 55 -12.834 -0.754 -16.742 429 H LEU 56 H LEU 56 -9.561 -1.428 -10.304 430 HA LEU 56 HA LEU 56 -11.702 -0.636 -8.644 431 HB2 LEU 56 2HB LEU 56 -9.716 -1.831 -7.834 432 HB3 LEU 56 1HB LEU 56 -8.740 -0.421 -8.170 433 HG LEU 56 HG LEU 56 -9.879 0.844 -6.458 434 HD11 LEU 56 1HD1 LEU 56 -11.546 -0.303 -5.030 435 HD12 LEU 56 2HD1 LEU 56 -11.597 -1.620 -6.208 436 HD13 LEU 56 3HD1 LEU 56 -12.106 0.006 -6.670 437 HD21 LEU 56 3HD2 LEU 56 -9.216 -0.451 -4.501 438 HD22 LEU 56 1HD2 LEU 56 -8.005 -0.567 -5.773 439 HD23 LEU 56 2HD2 LEU 56 -9.118 -1.907 -5.488 440 H SER 57 H SER 57 -9.164 1.103 -10.337 441 HA SER 57 HA SER 57 -9.742 3.676 -9.344 442 HB2 SER 57 2HB SER 57 -7.653 2.941 -10.590 443 HB3 SER 57 1HB SER 57 -8.607 2.945 -12.068 444 HG SER 57 HG SER 57 -7.371 4.940 -10.859 445 H ASN 58 H ASN 58 -11.149 1.682 -11.794 446 HA ASN 58 HA ASN 58 -12.868 3.553 -13.055 447 HB2 ASN 58 2HB ASN 58 -12.345 1.335 -13.997 448 HB3 ASN 58 1HB ASN 58 -13.128 0.582 -12.632 449 HD21 ASN 58 1HD2 ASN 58 -14.437 3.388 -14.350 450 HD22 ASN 58 2HD2 ASN 58 -15.774 2.522 -14.998 451 H LEU 59 H LEU 59 -13.413 1.157 -10.467 452 HA LEU 59 HA LEU 59 -16.032 1.877 -9.868 453 HB2 LEU 59 2HB LEU 59 -13.923 0.350 -8.434 454 HB3 LEU 59 1HB LEU 59 -15.298 0.890 -7.505 455 HG LEU 59 HG LEU 59 -15.575 -1.419 -8.220 456 HD11 LEU 59 1HD1 LEU 59 -17.774 -1.258 -9.239 457 HD12 LEU 59 2HD1 LEU 59 -17.482 0.432 -9.627 458 HD13 LEU 59 3HD1 LEU 59 -17.562 -0.085 -7.941 459 HD21 LEU 59 3HD2 LEU 59 -14.273 -1.384 -10.287 460 HD22 LEU 59 1HD2 LEU 59 -15.490 -0.360 -11.047 461 HD23 LEU 59 2HD2 LEU 59 -15.897 -2.010 -10.577 462 H ALA 60 H ALA 60 -13.035 3.229 -8.824 463 HA ALA 60 HA ALA 60 -13.844 4.710 -6.602 464 HB1 ALA 60 1HB ALA 60 -11.730 5.413 -8.613 465 HB2 ALA 60 2HB ALA 60 -11.502 4.326 -7.242 466 HB3 ALA 60 3HB ALA 60 -11.847 6.038 -6.968 467 H LEU 61 H LEU 61 -14.355 5.296 -9.989 468 HA LEU 61 HA LEU 61 -15.022 8.075 -9.504 469 HB2 LEU 61 2HB LEU 61 -15.024 6.443 -12.018 470 HB3 LEU 61 1HB LEU 61 -15.420 8.153 -11.963 471 HG LEU 61 HG LEU 61 -12.750 6.848 -11.412 472 HD11 LEU 61 1HD1 LEU 61 -13.310 7.029 -13.756 473 HD12 LEU 61 2HD1 LEU 61 -12.007 8.141 -13.339 474 HD13 LEU 61 3HD1 LEU 61 -13.650 8.748 -13.561 475 HD21 LEU 61 3HD2 LEU 61 -11.870 9.132 -11.114 476 HD22 LEU 61 1HD2 LEU 61 -13.031 8.706 -9.859 477 HD23 LEU 61 2HD2 LEU 61 -13.514 9.763 -11.185 478 H VAL 62 H VAL 62 -16.617 5.054 -9.668 479 HA VAL 62 HA VAL 62 -19.104 6.453 -10.139 480 HB VAL 62 HB VAL 62 -20.229 4.218 -10.383 481 HG11 VAL 62 1HG1 VAL 62 -19.485 5.488 -12.320 482 HG12 VAL 62 2HG1 VAL 62 -19.305 3.755 -12.603 483 HG13 VAL 62 3HG1 VAL 62 -17.893 4.738 -12.217 484 HG21 VAL 62 3HG2 VAL 62 -17.411 3.179 -10.374 485 HG22 VAL 62 1HG2 VAL 62 -18.850 2.228 -10.733 486 HG23 VAL 62 2HG2 VAL 62 -18.597 2.871 -9.104 487 H LYS 63 H LYS 63 -17.731 4.261 -7.712 488 HA LYS 63 HA LYS 63 -19.231 5.670 -5.766 489 HB2 LYS 63 2HB LYS 63 -20.223 3.572 -4.735 490 HB3 LYS 63 1HB LYS 63 -21.007 4.120 -6.222 491 HG2 LYS 63 2HG LYS 63 -19.508 2.362 -7.361 492 HG3 LYS 63 1HG LYS 63 -19.218 1.755 -5.739 493 HD2 LYS 63 2HD LYS 63 -21.906 1.979 -7.113 494 HD3 LYS 63 1HD LYS 63 -20.999 0.495 -6.881 495 HE2 LYS 63 2HE LYS 63 -22.625 0.405 -5.221 496 HE3 LYS 63 1HE LYS 63 -21.231 1.031 -4.354 497 HZ1 LYS 63 3HZ LYS 63 -23.568 2.587 -5.339 498 HZ2 LYS 63 1HZ LYS 63 -22.238 3.304 -4.593 499 HZ3 LYS 63 2HZ LYS 63 -23.188 2.237 -3.750 500 HA PRO 64 HA PRO 64 -15.044 4.757 -4.442 501 HB2 PRO 64 2HB PRO 64 -14.863 6.808 -2.667 502 HB3 PRO 64 1HB PRO 64 -14.653 7.012 -4.409 503 HG2 PRO 64 2HG PRO 64 -17.071 7.520 -2.728 504 HG3 PRO 64 1HG PRO 64 -16.378 8.520 -4.019 505 HD2 PRO 64 2HD PRO 64 -18.509 6.938 -4.415 506 HD3 PRO 64 1HD PRO 64 -17.306 7.220 -5.692 507 H GLU 65 H GLU 65 -17.927 4.677 -2.680 508 HA GLU 65 HA GLU 65 -17.251 4.084 -0.023 509 HB2 GLU 65 2HB GLU 65 -19.151 2.352 -1.539 510 HB3 GLU 65 1HB GLU 65 -19.234 2.871 0.124 511 HG2 GLU 65 2HG GLU 65 -19.938 5.038 -0.549 512 HG3 GLU 65 1HG GLU 65 -19.721 4.622 -2.259 513 H LYS 66 H LYS 66 -17.595 2.080 -2.863 514 HA LYS 66 HA LYS 66 -16.924 -0.380 -1.640 515 HB2 LYS 66 2HB LYS 66 -16.961 0.340 -4.578 516 HB3 LYS 66 1HB LYS 66 -17.003 -1.267 -3.873 517 HG2 LYS 66 2HG LYS 66 -19.199 0.765 -3.467 518 HG3 LYS 66 1HG LYS 66 -19.200 -0.428 -4.762 519 HD2 LYS 66 2HD LYS 66 -20.434 -1.572 -3.219 520 HD3 LYS 66 1HD LYS 66 -18.836 -2.089 -2.751 521 HE2 LYS 66 2HE LYS 66 -19.860 -1.552 -0.698 522 HE3 LYS 66 1HE LYS 66 -18.898 -0.125 -1.061 523 HZ1 LYS 66 3HZ LYS 66 -21.812 -0.411 -1.565 524 HZ2 LYS 66 1HZ LYS 66 -20.978 1.041 -1.780 525 HZ3 LYS 66 2HZ LYS 66 -21.180 0.336 -0.254 526 H THR 67 H THR 67 -15.142 2.065 -3.473 527 HA THR 67 HA THR 67 -12.770 0.685 -3.900 528 HB THR 67 HB THR 67 -13.021 3.616 -3.287 529 HG1 THR 67 1HG THR 67 -13.298 2.508 -5.875 530 HG21 THR 67 3HG2 THR 67 -10.733 2.768 -3.630 531 HG22 THR 67 1HG2 THR 67 -11.213 3.830 -4.954 532 HG23 THR 67 2HG2 THR 67 -11.218 2.084 -5.181 533 H LYS 68 H LYS 68 -13.733 2.899 -1.283 534 HA LYS 68 HA LYS 68 -11.369 2.711 0.220 535 HB2 LYS 68 2HB LYS 68 -14.180 3.327 1.131 536 HB3 LYS 68 1HB LYS 68 -12.739 3.595 2.096 537 HG2 LYS 68 2HG LYS 68 -11.928 5.216 0.458 538 HG3 LYS 68 1HG LYS 68 -13.352 4.931 -0.535 539 HD2 LYS 68 2HD LYS 68 -13.375 6.034 2.281 540 HD3 LYS 68 1HD LYS 68 -13.550 6.991 0.814 541 HE2 LYS 68 2HE LYS 68 -15.597 5.749 0.254 542 HE3 LYS 68 1HE LYS 68 -15.417 4.805 1.732 543 HZ1 LYS 68 3HZ LYS 68 -15.807 7.736 1.596 544 HZ2 LYS 68 1HZ LYS 68 -15.703 6.823 3.019 545 HZ3 LYS 68 2HZ LYS 68 -17.004 6.618 1.946 546 H ALA 69 H ALA 69 -14.392 0.937 0.327 547 HA ALA 69 HA ALA 69 -13.841 -0.616 2.579 548 HB1 ALA 69 1HB ALA 69 -15.646 -2.049 1.846 549 HB2 ALA 69 2HB ALA 69 -15.585 -1.335 0.234 550 HB3 ALA 69 3HB ALA 69 -16.084 -0.355 1.614 551 H VAL 70 H VAL 70 -13.370 -1.460 -0.911 552 HA VAL 70 HA VAL 70 -12.184 -3.925 -0.197 553 HB VAL 70 HB VAL 70 -11.397 -4.173 -2.504 554 HG11 VAL 70 1HG1 VAL 70 -13.695 -4.766 -2.042 555 HG12 VAL 70 2HG1 VAL 70 -13.513 -4.134 -3.679 556 HG13 VAL 70 3HG1 VAL 70 -14.188 -3.112 -2.414 557 HG21 VAL 70 3HG2 VAL 70 -12.417 -1.386 -2.936 558 HG22 VAL 70 1HG2 VAL 70 -11.860 -2.484 -4.197 559 HG23 VAL 70 2HG2 VAL 70 -10.728 -1.901 -2.973 560 H GLU 71 H GLU 71 -10.758 -0.731 -0.840 561 HA GLU 71 HA GLU 71 -8.127 -1.719 -0.857 562 HB2 GLU 71 2HB GLU 71 -9.155 1.041 -0.264 563 HB3 GLU 71 1HB GLU 71 -7.434 0.645 -0.292 564 HG2 GLU 71 2HG GLU 71 -7.868 -0.166 -2.664 565 HG3 GLU 71 1HG GLU 71 -9.436 0.643 -2.503 566 H ASN 72 H ASN 72 -10.162 -0.517 1.808 567 HA ASN 72 HA ASN 72 -8.170 -0.590 3.743 568 HB2 ASN 72 2HB ASN 72 -10.338 0.578 3.924 569 HB3 ASN 72 1HB ASN 72 -11.153 -0.976 3.959 570 HD21 ASN 72 1HD2 ASN 72 -11.102 -2.186 5.787 571 HD22 ASN 72 2HD2 ASN 72 -10.505 -1.567 7.275 572 H TYR 73 H TYR 73 -10.472 -2.955 2.509 573 HA TYR 73 HA TYR 73 -9.886 -4.999 4.333 574 HB2 TYR 73 2HB TYR 73 -11.912 -4.992 2.912 575 HB3 TYR 73 1HB TYR 73 -10.906 -5.223 1.488 576 HD1 TYR 73 2HD TYR 73 -11.448 -6.825 4.827 577 HD2 TYR 73 1HD TYR 73 -10.772 -7.385 0.655 578 HE1 TYR 73 2HE TYR 73 -11.615 -9.261 5.129 579 HE2 TYR 73 1HE TYR 73 -10.921 -9.814 0.960 580 HH TYR 73 HH TYR 73 -12.060 -11.190 3.888 581 H LEU 74 H LEU 74 -8.677 -4.373 1.028 582 HA LEU 74 HA LEU 74 -6.853 -6.481 1.029 583 HB2 LEU 74 2HB LEU 74 -7.178 -4.085 -0.696 584 HB3 LEU 74 1HB LEU 74 -5.637 -4.908 -0.754 585 HG LEU 74 HG LEU 74 -7.070 -5.632 -2.573 586 HD11 LEU 74 1HD1 LEU 74 -6.961 -8.036 -2.268 587 HD12 LEU 74 2HD1 LEU 74 -6.696 -7.818 -0.542 588 HD13 LEU 74 3HD1 LEU 74 -5.497 -7.237 -1.699 589 HD21 LEU 74 3HD2 LEU 74 -9.263 -5.276 -1.560 590 HD22 LEU 74 1HD2 LEU 74 -8.968 -6.609 -0.444 591 HD23 LEU 74 2HD2 LEU 74 -9.114 -6.923 -2.172 592 H ILE 75 H ILE 75 -6.407 -3.156 2.122 593 HA ILE 75 HA ILE 75 -3.667 -3.164 2.568 594 HB ILE 75 HB ILE 75 -5.893 -1.877 4.180 595 HG12 ILE 75 2HG1 ILE 75 -3.823 -0.679 2.314 596 HG13 ILE 75 1HG1 ILE 75 -5.510 -0.989 1.927 597 HG21 ILE 75 1HG2 ILE 75 -2.935 -1.475 4.647 598 HG22 ILE 75 2HG2 ILE 75 -4.084 -2.225 5.752 599 HG23 ILE 75 3HG2 ILE 75 -4.228 -0.512 5.360 600 HD11 ILE 75 3HD1 ILE 75 -5.114 1.365 2.403 601 HD12 ILE 75 1HD1 ILE 75 -4.518 0.948 4.009 602 HD13 ILE 75 2HD1 ILE 75 -6.206 0.651 3.590 603 H GLN 76 H GLN 76 -6.224 -4.295 4.711 604 HA GLN 76 HA GLN 76 -4.406 -5.282 6.663 605 HB2 GLN 76 2HB GLN 76 -7.332 -5.877 6.240 606 HB3 GLN 76 1HB GLN 76 -6.397 -6.360 7.647 607 HG2 GLN 76 2HG GLN 76 -5.967 -3.972 8.129 608 HG3 GLN 76 1HG GLN 76 -7.010 -3.549 6.775 609 HE21 GLN 76 1HE2 GLN 76 -7.264 -2.962 9.613 610 HE22 GLN 76 2HE2 GLN 76 -8.797 -3.598 10.100 611 H MET 77 H MET 77 -6.281 -6.741 4.082 612 HA MET 77 HA MET 77 -5.815 -9.440 4.602 613 HB2 MET 77 2HB MET 77 -7.496 -8.449 3.025 614 HB3 MET 77 1HB MET 77 -6.165 -8.130 1.924 615 HG2 MET 77 2HG MET 77 -5.733 -10.497 1.729 616 HG3 MET 77 1HG MET 77 -7.049 -10.843 2.851 617 HE1 MET 77 3HE MET 77 -8.238 -12.478 1.183 618 HE2 MET 77 1HE MET 77 -6.909 -12.248 0.046 619 HE3 MET 77 2HE MET 77 -8.579 -12.088 -0.503 620 H ALA 78 H ALA 78 -3.968 -7.168 2.575 621 HA ALA 78 HA ALA 78 -2.069 -9.128 1.752 622 HB1 ALA 78 1HB ALA 78 -0.839 -7.247 0.793 623 HB2 ALA 78 2HB ALA 78 -1.881 -6.117 1.661 624 HB3 ALA 78 3HB ALA 78 -2.554 -7.141 0.393 625 H ARG 79 H ARG 79 -2.273 -6.789 4.359 626 HA ARG 79 HA ARG 79 0.459 -7.053 5.115 627 HB2 ARG 79 2HB ARG 79 -0.865 -5.037 5.632 628 HB3 ARG 79 1HB ARG 79 -1.868 -5.984 6.718 629 HG2 ARG 79 2HG ARG 79 0.027 -6.364 8.178 630 HG3 ARG 79 1HG ARG 79 1.084 -5.501 7.059 631 HD2 ARG 79 2HD ARG 79 -1.302 -4.312 8.457 632 HD3 ARG 79 1HD ARG 79 0.370 -4.114 8.970 633 HE ARG 79 HE ARG 79 0.626 -3.148 6.587 634 HH11 ARG 79 1HH1 ARG 79 -2.307 -2.735 8.561 635 HH12 ARG 79 2HH1 ARG 79 -2.583 -1.133 8.065 636 HH21 ARG 79 1HH2 ARG 79 0.205 -0.925 5.883 637 HH22 ARG 79 2HH2 ARG 79 -1.150 -0.103 6.496 638 H TYR 80 H TYR 80 -2.500 -8.708 6.002 639 HA TYR 80 HA TYR 80 -1.142 -10.216 8.076 640 HB2 TYR 80 2HB TYR 80 -3.903 -10.703 6.914 641 HB3 TYR 80 1HB TYR 80 -3.250 -11.446 8.367 642 HD1 TYR 80 2HD TYR 80 -1.955 -8.884 9.507 643 HD2 TYR 80 1HD TYR 80 -5.807 -9.676 7.877 644 HE1 TYR 80 2HE TYR 80 -2.875 -7.011 10.788 645 HE2 TYR 80 1HE TYR 80 -6.730 -7.797 9.158 646 HH TYR 80 HH TYR 80 -6.254 -6.500 11.034 647 H GLY 81 H GLY 81 -0.965 -10.261 4.891 648 HA2 GLY 81 2HA GLY 81 0.194 -11.648 3.512 649 HA3 GLY 81 1HA GLY 81 0.455 -12.703 4.887 650 H GLN 82 H GLN 82 -2.711 -11.767 3.602 651 HA GLN 82 HA GLN 82 -3.289 -14.586 3.243 652 HB2 GLN 82 2HB GLN 82 -5.072 -12.171 2.880 653 HB3 GLN 82 1HB GLN 82 -5.605 -13.836 2.739 654 HG2 GLN 82 2HG GLN 82 -4.982 -14.191 5.109 655 HG3 GLN 82 1HG GLN 82 -4.563 -12.481 5.224 656 HE21 GLN 82 1HE2 GLN 82 -6.577 -13.985 6.682 657 HE22 GLN 82 2HE2 GLN 82 -8.087 -13.194 6.376 658 H LEU 83 H LEU 83 -1.711 -12.513 1.400 659 HA LEU 83 HA LEU 83 -2.656 -13.772 -1.069 660 HB2 LEU 83 2HB LEU 83 -1.698 -10.940 -0.714 661 HB3 LEU 83 1HB LEU 83 -1.666 -11.736 -2.270 662 HG LEU 83 HG LEU 83 -3.542 -10.375 -2.297 663 HD11 LEU 83 1HD1 LEU 83 -3.989 -12.546 -3.196 664 HD12 LEU 83 2HD1 LEU 83 -5.444 -11.862 -2.468 665 HD13 LEU 83 3HD1 LEU 83 -4.547 -13.117 -1.622 666 HD21 LEU 83 3HD2 LEU 83 -4.296 -11.447 0.408 667 HD22 LEU 83 1HD2 LEU 83 -5.268 -10.335 -0.557 668 HD23 LEU 83 2HD2 LEU 83 -3.692 -9.826 0.049 669 H SER 84 H SER 84 -1.196 -14.805 -2.159 670 HA SER 84 HA SER 84 1.607 -14.386 -1.429 671 HB2 SER 84 2HB SER 84 0.321 -16.801 -2.727 672 HB3 SER 84 1HB SER 84 1.994 -16.662 -2.176 673 HG SER 84 HG SER 84 0.506 -15.974 -0.153 674 H GLU 85 H GLU 85 -0.767 -14.054 -3.859 675 HA GLU 85 HA GLU 85 1.237 -13.351 -5.864 676 HB2 GLU 85 2HB GLU 85 -1.095 -15.191 -6.161 677 HB3 GLU 85 1HB GLU 85 -0.397 -14.378 -7.535 678 HG2 GLU 85 2HG GLU 85 1.748 -15.476 -7.058 679 HG3 GLU 85 1HG GLU 85 0.988 -16.309 -5.698 680 H LYS 86 H LYS 86 -0.463 -12.694 -7.893 681 HA LYS 86 HA LYS 86 -1.570 -10.230 -7.020 682 HB2 LYS 86 2HB LYS 86 -1.515 -11.622 -9.672 683 HB3 LYS 86 1HB LYS 86 -2.317 -10.099 -9.408 684 HG2 LYS 86 2HG LYS 86 -0.166 -9.088 -8.805 685 HG3 LYS 86 1HG LYS 86 0.626 -10.639 -9.124 686 HD2 LYS 86 2HD LYS 86 -0.077 -10.624 -11.399 687 HD3 LYS 86 1HD LYS 86 -1.118 -9.235 -11.125 688 HE2 LYS 86 2HE LYS 86 0.870 -7.864 -10.694 689 HE3 LYS 86 1HE LYS 86 1.883 -9.270 -11.037 690 HZ1 LYS 86 3HZ LYS 86 1.110 -9.333 -13.250 691 HZ2 LYS 86 1HZ LYS 86 1.538 -7.737 -12.980 692 HZ3 LYS 86 2HZ LYS 86 -0.094 -8.213 -12.983 693 H VAL 87 H VAL 87 -3.583 -9.586 -7.169 694 HA VAL 87 HA VAL 87 -5.749 -11.532 -7.248 695 HB VAL 87 HB VAL 87 -5.811 -8.592 -6.507 696 HG11 VAL 87 1HG1 VAL 87 -7.820 -10.784 -6.024 697 HG12 VAL 87 2HG1 VAL 87 -7.965 -9.472 -7.186 698 HG13 VAL 87 3HG1 VAL 87 -7.960 -9.121 -5.455 699 HG21 VAL 87 3HG2 VAL 87 -5.630 -10.971 -4.662 700 HG22 VAL 87 1HG2 VAL 87 -5.897 -9.301 -4.154 701 HG23 VAL 87 2HG2 VAL 87 -4.379 -9.757 -4.931 702 H SER 88 H SER 88 -6.487 -11.744 -9.293 703 HA SER 88 HA SER 88 -6.180 -9.732 -11.298 704 HB2 SER 88 2HB SER 88 -7.755 -12.320 -11.267 705 HB3 SER 88 1HB SER 88 -7.371 -11.389 -12.712 706 HG SER 88 HG SER 88 -5.218 -11.800 -12.389 707 H GLU 89 H GLU 89 -8.292 -9.121 -12.617 708 HA GLU 89 HA GLU 89 -9.951 -7.560 -11.046 709 HB2 GLU 89 2HB GLU 89 -10.417 -8.686 -13.791 710 HB3 GLU 89 1HB GLU 89 -11.548 -7.568 -13.032 711 HG2 GLU 89 2HG GLU 89 -9.769 -5.913 -12.924 712 HG3 GLU 89 1HG GLU 89 -8.665 -7.059 -13.694 713 H GLN 90 H GLN 90 -10.649 -10.767 -12.382 714 HA GLN 90 HA GLN 90 -13.199 -11.046 -11.290 715 HB2 GLN 90 2HB GLN 90 -12.863 -13.497 -11.516 716 HB3 GLN 90 1HB GLN 90 -12.438 -12.600 -12.965 717 HG2 GLN 90 2HG GLN 90 -10.084 -12.824 -12.444 718 HG3 GLN 90 1HG GLN 90 -10.469 -13.635 -10.932 719 HE21 GLN 90 1HE2 GLN 90 -11.226 -15.737 -10.982 720 HE22 GLN 90 2HE2 GLN 90 -11.099 -16.733 -12.390 721 H GLY 91 H GLY 91 -10.096 -11.456 -9.779 722 HA2 GLY 91 2HA GLY 91 -11.070 -12.770 -7.433 723 HA3 GLY 91 1HA GLY 91 -9.491 -12.011 -7.635 724 H LEU 92 H LEU 92 -10.289 -9.458 -8.345 725 HA LEU 92 HA LEU 92 -10.872 -8.411 -5.772 726 HB2 LEU 92 2HB LEU 92 -9.413 -7.240 -7.385 727 HB3 LEU 92 1HB LEU 92 -10.810 -6.939 -8.403 728 HG LEU 92 HG LEU 92 -11.821 -5.688 -6.466 729 HD11 LEU 92 1HD1 LEU 92 -9.074 -5.943 -5.308 730 HD12 LEU 92 2HD1 LEU 92 -10.579 -6.576 -4.646 731 HD13 LEU 92 3HD1 LEU 92 -10.321 -4.836 -4.742 732 HD21 LEU 92 3HD2 LEU 92 -10.827 -4.512 -8.356 733 HD22 LEU 92 1HD2 LEU 92 -9.236 -4.618 -7.601 734 HD23 LEU 92 2HD2 LEU 92 -10.508 -3.654 -6.847 735 H ILE 93 H ILE 93 -12.742 -8.975 -8.658 736 HA ILE 93 HA ILE 93 -15.078 -7.607 -7.928 737 HB ILE 93 HB ILE 93 -14.706 -10.088 -9.644 738 HG12 ILE 93 2HG1 ILE 93 -15.324 -7.221 -10.411 739 HG13 ILE 93 1HG1 ILE 93 -13.723 -7.946 -10.444 740 HG21 ILE 93 1HG2 ILE 93 -16.993 -9.757 -10.479 741 HG22 ILE 93 2HG2 ILE 93 -17.235 -8.468 -9.295 742 HG23 ILE 93 3HG2 ILE 93 -16.969 -10.127 -8.752 743 HD11 ILE 93 3HD1 ILE 93 -14.716 -7.841 -12.660 744 HD12 ILE 93 1HD1 ILE 93 -16.080 -8.815 -12.107 745 HD13 ILE 93 2HD1 ILE 93 -14.452 -9.506 -12.159 746 H GLU 94 H GLU 94 -13.792 -10.683 -6.961 747 HA GLU 94 HA GLU 94 -16.096 -11.626 -5.604 748 HB2 GLU 94 2HB GLU 94 -14.208 -13.066 -6.364 749 HB3 GLU 94 1HB GLU 94 -13.187 -12.311 -5.151 750 HG2 GLU 94 2HG GLU 94 -13.983 -14.504 -4.448 751 HG3 GLU 94 1HG GLU 94 -14.567 -13.209 -3.392 752 H ILE 95 H ILE 95 -13.393 -9.588 -4.747 753 HA ILE 95 HA ILE 95 -14.032 -9.387 -1.953 754 HB ILE 95 HB ILE 95 -12.528 -7.300 -3.571 755 HG12 ILE 95 2HG1 ILE 95 -11.560 -9.528 -4.053 756 HG13 ILE 95 1HG1 ILE 95 -10.452 -8.506 -3.155 757 HG21 ILE 95 1HG2 ILE 95 -11.387 -6.845 -1.498 758 HG22 ILE 95 2HG2 ILE 95 -12.333 -8.095 -0.695 759 HG23 ILE 95 3HG2 ILE 95 -13.135 -6.659 -1.328 760 HD11 ILE 95 3HD1 ILE 95 -11.039 -9.714 -1.120 761 HD12 ILE 95 1HD1 ILE 95 -10.387 -10.778 -2.372 762 HD13 ILE 95 2HD1 ILE 95 -12.130 -10.741 -2.066 763 H LEU 96 H LEU 96 -14.640 -7.543 -4.849 764 HA LEU 96 HA LEU 96 -15.860 -5.299 -3.786 765 HB2 LEU 96 2HB LEU 96 -15.010 -5.555 -6.103 766 HB3 LEU 96 1HB LEU 96 -16.397 -6.563 -6.460 767 HG LEU 96 HG LEU 96 -17.872 -4.630 -5.963 768 HD11 LEU 96 1HD1 LEU 96 -16.888 -2.386 -5.877 769 HD12 LEU 96 2HD1 LEU 96 -15.275 -3.099 -5.826 770 HD13 LEU 96 3HD1 LEU 96 -16.394 -3.364 -4.497 771 HD21 LEU 96 3HD2 LEU 96 -17.255 -5.183 -8.255 772 HD22 LEU 96 1HD2 LEU 96 -15.803 -4.193 -8.116 773 HD23 LEU 96 2HD2 LEU 96 -17.394 -3.439 -8.050 774 H LYS 97 H LYS 97 -17.309 -8.345 -4.936 775 HA LYS 97 HA LYS 97 -19.974 -7.544 -4.521 776 HB2 LYS 97 2HB LYS 97 -20.599 -9.913 -4.681 777 HB3 LYS 97 1HB LYS 97 -19.402 -9.525 -5.905 778 HG2 LYS 97 2HG LYS 97 -17.663 -10.505 -4.493 779 HG3 LYS 97 1HG LYS 97 -18.879 -10.910 -3.294 780 HD2 LYS 97 2HD LYS 97 -18.341 -12.865 -4.599 781 HD3 LYS 97 1HD LYS 97 -19.990 -12.364 -4.955 782 HE2 LYS 97 2HE LYS 97 -19.404 -11.572 -7.071 783 HE3 LYS 97 1HE LYS 97 -17.686 -11.501 -6.704 784 HZ1 LYS 97 3HZ LYS 97 -17.642 -13.903 -6.612 785 HZ2 LYS 97 1HZ LYS 97 -18.234 -13.421 -8.110 786 HZ3 LYS 97 2HZ LYS 97 -19.282 -14.007 -6.926 787 H LYS 98 H LYS 98 -17.580 -8.927 -2.347 788 HA LYS 98 HA LYS 98 -19.270 -9.420 -0.143 789 HB2 LYS 98 2HB LYS 98 -16.331 -8.729 -0.224 790 HB3 LYS 98 1HB LYS 98 -17.194 -9.297 1.198 791 HG2 LYS 98 2HG LYS 98 -17.621 -11.417 0.139 792 HG3 LYS 98 1HG LYS 98 -16.901 -10.843 -1.363 793 HD2 LYS 98 2HD LYS 98 -15.320 -12.227 -0.204 794 HD3 LYS 98 1HD LYS 98 -14.747 -10.569 -0.193 795 HE2 LYS 98 2HE LYS 98 -15.502 -10.277 2.118 796 HE3 LYS 98 1HE LYS 98 -16.188 -11.899 2.108 797 HZ1 LYS 98 3HZ LYS 98 -14.021 -12.836 1.950 798 HZ2 LYS 98 1HZ LYS 98 -14.020 -11.763 3.225 799 HZ3 LYS 98 2HZ LYS 98 -13.270 -11.331 1.790 800 H VAL 99 H VAL 99 -17.231 -6.628 -0.956 801 HA VAL 99 HA VAL 99 -17.990 -5.191 1.373 802 HB VAL 99 HB VAL 99 -16.859 -3.275 0.517 803 HG11 VAL 99 1HG1 VAL 99 -15.394 -5.745 -0.344 804 HG12 VAL 99 2HG1 VAL 99 -15.414 -5.030 1.268 805 HG13 VAL 99 3HG1 VAL 99 -14.666 -4.164 -0.071 806 HG21 VAL 99 3HG2 VAL 99 -17.826 -3.271 -1.700 807 HG22 VAL 99 1HG2 VAL 99 -16.798 -4.612 -2.172 808 HG23 VAL 99 2HG2 VAL 99 -16.078 -3.038 -1.769 809 H SER 100 H SER 100 -19.600 -5.604 -1.612 810 HA SER 100 HA SER 100 -21.206 -3.271 -1.553 811 HB2 SER 100 2HB SER 100 -21.728 -5.964 -2.817 812 HB3 SER 100 1HB SER 100 -22.556 -4.457 -3.211 813 HG SER 100 HG SER 100 -19.755 -4.909 -3.489 814 H GLN 101 H GLN 101 -21.205 -6.223 0.151 815 HA GLN 101 HA GLN 101 -23.908 -5.790 1.215 816 HB2 GLN 101 2HB GLN 101 -22.051 -8.184 1.460 817 HB3 GLN 101 1HB GLN 101 -23.694 -8.091 2.070 818 HG2 GLN 101 2HG GLN 101 -24.583 -8.036 -0.141 819 HG3 GLN 101 1HG GLN 101 -22.972 -7.867 -0.836 820 HE21 GLN 101 1HE2 GLN 101 -23.215 -9.705 -2.092 821 HE22 GLN 101 2HE2 GLN 101 -23.198 -11.291 -1.441 822 H GLN 102 H GLN 102 -20.858 -7.105 2.328 823 HA GLN 102 HA GLN 102 -20.006 -5.244 4.088 824 HB2 GLN 102 2HB GLN 102 -20.579 -6.283 6.279 825 HB3 GLN 102 1HB GLN 102 -22.014 -5.706 5.450 826 HG2 GLN 102 2HG GLN 102 -22.905 -7.717 5.830 827 HG3 GLN 102 1HG GLN 102 -21.742 -8.293 4.624 828 HE21 GLN 102 1HE2 GLN 102 -22.865 -9.583 7.032 829 HE22 GLN 102 2HE2 GLN 102 -21.500 -10.048 7.977 830 H THR 103 H THR 103 -17.946 -5.843 4.534 831 HA THR 103 HA THR 103 -17.242 -8.468 3.532 832 HB THR 103 HB THR 103 -16.240 -6.781 2.149 833 HG1 THR 103 1HG THR 103 -14.189 -7.696 3.862 834 HG21 THR 103 3HG2 THR 103 -15.108 -5.585 4.688 835 HG22 THR 103 1HG2 THR 103 -16.272 -4.831 3.605 836 HG23 THR 103 2HG2 THR 103 -14.599 -5.093 3.083 837 H GLU 104 H GLU 104 -17.849 -9.261 5.507 838 HA GLU 104 HA GLU 104 -17.327 -10.358 7.477 839 HB2 GLU 104 2HB GLU 104 -14.571 -9.379 6.726 840 HB3 GLU 104 1HB GLU 104 -14.841 -10.400 8.131 841 HG2 GLU 104 2HG GLU 104 -15.560 -12.203 6.776 842 HG3 GLU 104 1HG GLU 104 -15.694 -11.160 5.364 843 H LYS 105 H LYS 105 -18.197 -7.688 7.329 844 HA LYS 105 HA LYS 105 -16.881 -5.986 9.207 845 HB2 LYS 105 2HB LYS 105 -18.329 -5.248 7.250 846 HB3 LYS 105 1HB LYS 105 -19.721 -5.800 8.153 847 HG2 LYS 105 2HG LYS 105 -17.877 -3.650 9.187 848 HG3 LYS 105 1HG LYS 105 -19.235 -3.294 8.129 849 HD2 LYS 105 2HD LYS 105 -20.774 -4.225 9.789 850 HD3 LYS 105 1HD LYS 105 -19.408 -4.632 10.829 851 HE2 LYS 105 2HE LYS 105 -18.830 -2.261 11.003 852 HE3 LYS 105 1HE LYS 105 -20.175 -1.855 9.942 853 HZ1 LYS 105 3HZ LYS 105 -21.697 -2.721 11.631 854 HZ2 LYS 105 1HZ LYS 105 -20.726 -1.487 12.234 855 HZ3 LYS 105 2HZ LYS 105 -20.396 -3.090 12.645 856 H THR 106 H THR 106 -19.402 -8.399 9.357 857 HA THR 106 HA THR 106 -20.179 -7.729 12.024 858 HB THR 106 HB THR 106 -21.404 -9.955 11.772 859 HG1 THR 106 1HG THR 106 -20.934 -11.072 10.084 860 HG21 THR 106 3HG2 THR 106 -23.089 -8.991 10.244 861 HG22 THR 106 1HG2 THR 106 -21.927 -7.758 9.755 862 HG23 THR 106 2HG2 THR 106 -22.530 -7.803 11.416 863 H THR 107 H THR 107 -17.712 -9.575 10.513 864 HA THR 107 HA THR 107 -17.405 -11.305 12.807 865 HB THR 107 HB THR 107 -15.922 -11.377 10.160 866 HG1 THR 107 1HG THR 107 -17.637 -12.426 9.391 867 HG21 THR 107 3HG2 THR 107 -14.813 -12.576 12.032 868 HG22 THR 107 1HG2 THR 107 -15.420 -13.698 10.816 869 HG23 THR 107 2HG2 THR 107 -16.305 -13.472 12.323 870 H THR 108 H THR 108 -16.677 -9.682 14.199 871 HA THR 108 HA THR 108 -13.893 -8.900 13.763 872 HB THR 108 HB THR 108 -16.021 -7.264 15.192 873 HG1 THR 108 1HG THR 108 -15.391 -7.555 12.593 874 HG21 THR 108 3HG2 THR 108 -13.183 -6.567 14.364 875 HG22 THR 108 1HG2 THR 108 -13.715 -6.879 16.015 876 HG23 THR 108 2HG2 THR 108 -14.324 -5.472 15.144 877 H VAL 109 H VAL 109 -12.579 -9.155 15.509 878 HA VAL 109 HA VAL 109 -13.616 -10.805 17.669 879 HB VAL 109 HB VAL 109 -11.727 -11.710 16.394 880 HG11 VAL 109 1HG1 VAL 109 -10.189 -9.278 17.265 881 HG12 VAL 109 2HG1 VAL 109 -10.697 -9.673 15.624 882 HG13 VAL 109 3HG1 VAL 109 -9.508 -10.684 16.446 883 HG21 VAL 109 3HG2 VAL 109 -10.147 -12.199 18.224 884 HG22 VAL 109 1HG2 VAL 109 -11.824 -12.328 18.758 885 HG23 VAL 109 2HG2 VAL 109 -10.875 -10.908 19.178 886 H LYS 110 H LYS 110 -13.223 -10.290 19.858 887 HA LYS 110 HA LYS 110 -13.078 -7.505 20.495 888 HB2 LYS 110 2HB LYS 110 -12.974 -9.961 22.275 889 HB3 LYS 110 1HB LYS 110 -13.159 -8.321 22.848 890 HG2 LYS 110 2HG LYS 110 -15.140 -9.733 21.063 891 HG3 LYS 110 1HG LYS 110 -15.271 -9.623 22.819 892 HD2 LYS 110 2HD LYS 110 -15.385 -7.187 22.664 893 HD3 LYS 110 1HD LYS 110 -15.213 -7.274 20.914 894 HE2 LYS 110 2HE LYS 110 -17.481 -8.459 22.522 895 HE3 LYS 110 1HE LYS 110 -17.541 -6.938 21.638 896 HZ1 LYS 110 3HZ LYS 110 -18.539 -8.703 20.336 897 HZ2 LYS 110 1HZ LYS 110 -17.129 -9.628 20.407 898 HZ3 LYS 110 2HZ LYS 110 -17.141 -8.172 19.591 899 H PHE 111 H PHE 111 -11.152 -6.572 20.189 900 HA PHE 111 HA PHE 111 -8.716 -8.071 20.575 901 HB2 PHE 111 2HB PHE 111 -9.008 -6.466 18.655 902 HB3 PHE 111 1HB PHE 111 -9.044 -5.149 19.816 903 HD1 PHE 111 2HD PHE 111 -6.940 -7.792 18.349 904 HD2 PHE 111 1HD PHE 111 -7.024 -4.251 20.706 905 HE1 PHE 111 2HE PHE 111 -4.494 -7.633 18.192 906 HE2 PHE 111 1HE PHE 111 -4.576 -4.085 20.550 907 HZ PHE 111 HZ PHE 111 -3.308 -5.780 19.293 908 H ASN 112 H ASN 112 -8.748 -8.467 22.717 909 HA ASN 112 HA ASN 112 -8.543 -6.149 24.496 910 HB2 ASN 112 2HB ASN 112 -10.511 -7.636 24.878 911 HB3 ASN 112 1HB ASN 112 -9.405 -8.961 25.193 912 HD21 ASN 112 1HD2 ASN 112 -11.426 -7.623 26.821 913 HD22 ASN 112 2HD2 ASN 112 -10.635 -7.150 28.279 Start of MODEL 8 1 H1 GLY 0 1HT GLY 0 13.802 37.984 -9.513 2 H2 GLY 0 2HT GLY 0 13.209 39.433 -10.231 3 H3 GLY 0 3HT GLY 0 14.827 39.075 -10.302 4 HA2 GLY 0 1HA GLY 0 14.503 37.286 -11.771 5 HA3 GLY 0 2HA GLY 0 12.752 37.442 -11.592 6 H SER 1 H SER 1 12.283 38.003 -13.686 7 HA SER 1 HA SER 1 13.517 40.438 -14.714 8 HB2 SER 1 2HB SER 1 12.877 38.544 -16.285 9 HB3 SER 1 1HB SER 1 11.191 38.834 -15.873 10 HG SER 1 HG SER 1 11.207 40.306 -17.358 11 H ALA 2 H ALA 2 12.275 42.374 -14.962 12 HA ALA 2 HA ALA 2 10.901 43.180 -12.721 13 HB1 ALA 2 1HB ALA 2 11.902 44.712 -14.365 14 HB2 ALA 2 2HB ALA 2 10.259 45.174 -13.926 15 HB3 ALA 2 3HB ALA 2 10.569 44.372 -15.465 16 H ASP 3 H ASP 3 9.427 42.190 -15.779 17 HA ASP 3 HA ASP 3 6.757 42.538 -14.847 18 HB2 ASP 3 2HB ASP 3 6.107 41.701 -16.982 19 HB3 ASP 3 1HB ASP 3 7.488 42.745 -17.233 20 H GLU 4 H GLU 4 9.036 39.992 -14.911 21 HA GLU 4 HA GLU 4 7.282 37.755 -14.574 22 HB2 GLU 4 2HB GLU 4 9.452 37.480 -15.574 23 HB3 GLU 4 1HB GLU 4 10.232 38.153 -14.152 24 HG2 GLU 4 2HG GLU 4 9.404 36.191 -12.870 25 HG3 GLU 4 1HG GLU 4 8.837 35.511 -14.399 26 H GLU 5 H GLU 5 9.442 39.557 -12.414 27 HA GLU 5 HA GLU 5 8.691 38.076 -10.144 28 HB2 GLU 5 2HB GLU 5 10.005 39.724 -8.851 29 HB3 GLU 5 1HB GLU 5 10.854 39.146 -10.280 30 HG2 GLU 5 2HG GLU 5 10.195 41.211 -11.445 31 HG3 GLU 5 1HG GLU 5 9.557 41.801 -9.907 32 H LEU 6 H LEU 6 7.422 40.862 -11.684 33 HA LEU 6 HA LEU 6 5.688 41.785 -9.675 34 HB2 LEU 6 2HB LEU 6 6.128 43.011 -11.772 35 HB3 LEU 6 1HB LEU 6 5.334 41.746 -12.680 36 HG LEU 6 HG LEU 6 3.192 42.334 -11.618 37 HD11 LEU 6 1HD1 LEU 6 2.997 44.407 -10.338 38 HD12 LEU 6 2HD1 LEU 6 4.749 44.586 -10.365 39 HD13 LEU 6 3HD1 LEU 6 4.015 43.225 -9.512 40 HD21 LEU 6 3HD2 LEU 6 4.620 44.643 -12.925 41 HD22 LEU 6 1HD2 LEU 6 2.873 44.460 -12.783 42 HD23 LEU 6 2HD2 LEU 6 3.804 43.322 -13.757 43 H GLU 7 H GLU 7 5.423 39.193 -12.078 44 HA GLU 7 HA GLU 7 2.789 38.412 -11.405 45 HB2 GLU 7 2HB GLU 7 5.016 36.857 -12.727 46 HB3 GLU 7 1HB GLU 7 3.346 36.323 -12.627 47 HG2 GLU 7 2HG GLU 7 2.652 38.218 -13.946 48 HG3 GLU 7 1HG GLU 7 4.325 38.779 -14.051 49 H ALA 8 H ALA 8 5.981 37.219 -10.555 50 HA ALA 8 HA ALA 8 5.276 35.111 -8.881 51 HB1 ALA 8 1HB ALA 8 7.574 35.554 -9.653 52 HB2 ALA 8 2HB ALA 8 7.502 35.317 -7.907 53 HB3 ALA 8 3HB ALA 8 7.658 36.942 -8.568 54 H LEU 9 H LEU 9 5.637 38.532 -8.116 55 HA LEU 9 HA LEU 9 5.213 38.345 -5.369 56 HB2 LEU 9 2HB LEU 9 6.051 40.364 -6.458 57 HB3 LEU 9 1HB LEU 9 4.502 40.593 -7.243 58 HG LEU 9 HG LEU 9 3.448 40.952 -5.047 59 HD11 LEU 9 1HD1 LEU 9 6.258 40.733 -3.993 60 HD12 LEU 9 2HD1 LEU 9 4.918 39.635 -3.655 61 HD13 LEU 9 3HD1 LEU 9 4.861 41.301 -3.077 62 HD21 LEU 9 3HD2 LEU 9 4.423 43.139 -4.616 63 HD22 LEU 9 1HD2 LEU 9 4.246 42.849 -6.343 64 HD23 LEU 9 2HD2 LEU 9 5.834 42.712 -5.589 65 H ARG 10 H ARG 10 2.917 38.454 -8.037 66 HA ARG 10 HA ARG 10 0.683 38.762 -6.333 67 HB2 ARG 10 2HB ARG 10 0.545 39.459 -8.671 68 HB3 ARG 10 1HB ARG 10 0.768 37.798 -9.203 69 HG2 ARG 10 2HG ARG 10 -1.347 37.159 -8.214 70 HG3 ARG 10 1HG ARG 10 -1.556 38.779 -7.556 71 HD2 ARG 10 2HD ARG 10 -1.676 39.700 -9.796 72 HD3 ARG 10 1HD ARG 10 -1.374 38.104 -10.481 73 HE ARG 10 HE ARG 10 -3.484 37.407 -9.435 74 HH11 ARG 10 1HH1 ARG 10 -3.023 40.865 -10.137 75 HH12 ARG 10 2HH1 ARG 10 -4.669 41.153 -10.393 76 HH21 ARG 10 1HH2 ARG 10 -5.733 37.843 -9.811 77 HH22 ARG 10 2HH2 ARG 10 -6.240 39.417 -10.226 78 H ARG 11 H ARG 11 2.469 36.033 -7.563 79 HA ARG 11 HA ARG 11 0.663 34.018 -6.635 80 HB2 ARG 11 2HB ARG 11 3.628 33.940 -7.204 81 HB3 ARG 11 1HB ARG 11 2.833 32.577 -6.454 82 HG2 ARG 11 2HG ARG 11 3.080 32.123 -8.785 83 HG3 ARG 11 1HG ARG 11 1.376 32.398 -8.472 84 HD2 ARG 11 2HD ARG 11 1.511 34.610 -9.459 85 HD3 ARG 11 1HD ARG 11 3.259 34.480 -9.556 86 HE ARG 11 HE ARG 11 2.552 32.404 -11.001 87 HH11 ARG 11 1HH1 ARG 11 1.185 35.676 -11.069 88 HH12 ARG 11 2HH1 ARG 11 0.938 35.714 -12.745 89 HH21 ARG 11 1HH2 ARG 11 2.201 32.436 -13.326 90 HH22 ARG 11 2HH2 ARG 11 1.534 33.816 -14.068 91 H GLN 12 H GLN 12 3.322 35.763 -5.179 92 HA GLN 12 HA GLN 12 3.334 34.457 -2.696 93 HB2 GLN 12 2HB GLN 12 5.087 36.000 -3.614 94 HB3 GLN 12 1HB GLN 12 4.020 37.342 -3.260 95 HG2 GLN 12 2HG GLN 12 4.748 35.475 -1.087 96 HG3 GLN 12 1HG GLN 12 5.955 36.621 -1.643 97 HE21 GLN 12 1HE2 GLN 12 3.077 36.133 0.163 98 HE22 GLN 12 2HE2 GLN 12 2.901 37.729 0.775 99 H ARG 13 H ARG 13 1.658 37.390 -3.780 100 HA ARG 13 HA ARG 13 0.092 37.937 -1.517 101 HB2 ARG 13 2HB ARG 13 -0.760 38.173 -4.417 102 HB3 ARG 13 1HB ARG 13 -1.563 38.944 -3.071 103 HG2 ARG 13 2HG ARG 13 1.296 39.545 -3.796 104 HG3 ARG 13 1HG ARG 13 -0.058 40.358 -4.560 105 HD2 ARG 13 2HD ARG 13 0.738 41.779 -2.838 106 HD3 ARG 13 1HD ARG 13 -0.781 41.109 -2.279 107 HE ARG 13 HE ARG 13 0.457 39.710 -0.769 108 HH11 ARG 13 1HH1 ARG 13 2.350 42.343 -2.263 109 HH12 ARG 13 2HH1 ARG 13 3.511 42.402 -1.032 110 HH21 ARG 13 1HH2 ARG 13 1.970 39.882 0.974 111 HH22 ARG 13 2HH2 ARG 13 3.289 40.967 0.887 112 H LEU 14 H LEU 14 -0.360 35.612 -4.109 113 HA LEU 14 HA LEU 14 -2.969 34.758 -3.533 114 HB2 LEU 14 2HB LEU 14 -1.815 34.423 -5.701 115 HB3 LEU 14 1HB LEU 14 -0.681 33.352 -4.931 116 HG LEU 14 HG LEU 14 -2.438 32.307 -6.422 117 HD11 LEU 14 1HD1 LEU 14 -2.276 31.297 -3.598 118 HD12 LEU 14 2HD1 LEU 14 -1.155 30.933 -4.910 119 HD13 LEU 14 3HD1 LEU 14 -2.824 30.369 -4.994 120 HD21 LEU 14 3HD2 LEU 14 -4.227 32.939 -4.089 121 HD22 LEU 14 1HD2 LEU 14 -4.641 31.911 -5.459 122 HD23 LEU 14 2HD2 LEU 14 -4.333 33.632 -5.708 123 H ALA 15 H ALA 15 0.162 33.721 -2.331 124 HA ALA 15 HA ALA 15 -0.732 31.436 -0.952 125 HB1 ALA 15 1HB ALA 15 1.652 33.190 -0.335 126 HB2 ALA 15 2HB ALA 15 1.635 31.842 -1.466 127 HB3 ALA 15 3HB ALA 15 1.395 31.548 0.258 128 H GLU 16 H GLU 16 -0.687 34.818 -0.147 129 HA GLU 16 HA GLU 16 -1.308 34.552 2.628 130 HB2 GLU 16 2HB GLU 16 -1.871 36.896 0.834 131 HB3 GLU 16 1HB GLU 16 -1.629 36.911 2.576 132 HG2 GLU 16 2HG GLU 16 0.652 36.330 2.298 133 HG3 GLU 16 1HG GLU 16 0.452 36.180 0.561 134 H LEU 17 H LEU 17 -2.926 35.128 -0.328 135 HA LEU 17 HA LEU 17 -5.569 35.610 0.507 136 HB2 LEU 17 2HB LEU 17 -4.652 36.009 -1.643 137 HB3 LEU 17 1HB LEU 17 -4.647 34.287 -1.985 138 HG LEU 17 HG LEU 17 -7.080 34.215 -1.866 139 HD11 LEU 17 1HD1 LEU 17 -7.451 35.949 -0.158 140 HD12 LEU 17 2HD1 LEU 17 -8.356 36.324 -1.621 141 HD13 LEU 17 3HD1 LEU 17 -6.856 37.178 -1.273 142 HD21 LEU 17 3HD2 LEU 17 -7.541 35.639 -3.771 143 HD22 LEU 17 1HD2 LEU 17 -5.987 34.770 -3.925 144 HD23 LEU 17 2HD2 LEU 17 -6.006 36.467 -3.404 145 H GLN 18 H GLN 18 -3.969 32.645 -0.543 146 HA GLN 18 HA GLN 18 -6.211 31.126 0.424 147 HB2 GLN 18 2HB GLN 18 -3.708 30.266 -1.032 148 HB3 GLN 18 1HB GLN 18 -4.935 29.140 -0.458 149 HG2 GLN 18 2HG GLN 18 -6.603 30.204 -1.860 150 HG3 GLN 18 1HG GLN 18 -5.424 31.393 -2.391 151 HE21 GLN 18 1HE2 GLN 18 -4.685 27.975 -2.011 152 HE22 GLN 18 2HE2 GLN 18 -4.493 27.698 -3.715 153 H ALA 19 H ALA 19 -5.620 32.217 2.391 154 HA ALA 19 HA ALA 19 -4.035 30.369 4.084 155 HB1 ALA 19 1HB ALA 19 -3.759 32.248 5.648 156 HB2 ALA 19 2HB ALA 19 -4.656 33.290 4.542 157 HB3 ALA 19 3HB ALA 19 -3.093 32.634 4.061 158 H LYS 20 H LYS 20 -6.671 29.978 3.193 159 HA LYS 20 HA LYS 20 -8.719 30.855 4.864 160 HB2 LYS 20 2HB LYS 20 -8.449 28.406 3.135 161 HB3 LYS 20 1HB LYS 20 -9.949 28.913 3.877 162 HG2 LYS 20 2HG LYS 20 -8.368 30.571 1.918 163 HG3 LYS 20 1HG LYS 20 -9.748 29.555 1.497 164 HD2 LYS 20 2HD LYS 20 -11.163 30.879 3.011 165 HD3 LYS 20 1HD LYS 20 -9.783 31.893 3.411 166 HE2 LYS 20 2HE LYS 20 -10.845 31.527 0.633 167 HE3 LYS 20 1HE LYS 20 -11.349 32.848 1.682 168 HZ1 LYS 20 3HZ LYS 20 -8.983 33.545 1.734 169 HZ2 LYS 20 1HZ LYS 20 -9.656 33.563 0.193 170 HZ3 LYS 20 2HZ LYS 20 -8.617 32.337 0.608 171 H HIS 21 H HIS 21 -9.751 29.880 6.515 172 HA HIS 21 HA HIS 21 -8.087 28.249 8.240 173 HB2 HIS 21 2HB HIS 21 -9.659 28.620 10.035 174 HB3 HIS 21 1HB HIS 21 -9.433 30.144 9.200 175 HD1 HIS 21 1HD HIS 21 -11.984 27.564 10.046 176 HD2 HIS 21 2HD HIS 21 -11.803 31.134 7.924 177 HE1 HIS 21 1HE HIS 21 -14.363 28.250 9.664 178 HE2 HIS 21 2HE HIS 21 -14.182 30.549 8.663 179 H GLY 22 H GLY 22 -10.591 27.689 6.052 180 HA2 GLY 22 2HA GLY 22 -11.211 25.067 7.203 181 HA3 GLY 22 1HA GLY 22 -12.079 25.845 5.889 182 H ASP 23 H ASP 23 -8.706 26.012 5.652 183 HA ASP 23 HA ASP 23 -8.477 23.576 4.103 184 HB2 ASP 23 2HB ASP 23 -9.168 25.191 2.414 185 HB3 ASP 23 1HB ASP 23 -7.941 26.329 2.966 186 HA PRO 24 HA PRO 24 -4.671 23.707 6.399 187 HB2 PRO 24 2HB PRO 24 -3.298 21.818 4.967 188 HB3 PRO 24 1HB PRO 24 -4.503 21.442 6.200 189 HG2 PRO 24 2HG PRO 24 -4.803 21.521 3.227 190 HG3 PRO 24 1HG PRO 24 -5.441 20.340 4.381 191 HD2 PRO 24 2HD PRO 24 -6.973 22.279 3.348 192 HD3 PRO 24 1HD PRO 24 -7.190 21.724 5.022 193 H GLY 25 H GLY 25 -4.769 24.251 2.926 194 HA2 GLY 25 2HA GLY 25 -3.495 26.300 2.393 195 HA3 GLY 25 1HA GLY 25 -2.111 25.432 3.062 196 H ASP 26 H ASP 26 -2.308 26.348 0.392 197 HA ASP 26 HA ASP 26 -3.232 24.338 -1.345 198 HB2 ASP 26 2HB ASP 26 -2.925 26.611 -2.138 199 HB3 ASP 26 1HB ASP 26 -1.196 26.509 -1.820 200 H ALA 27 H ALA 27 -0.095 24.973 0.009 201 HA ALA 27 HA ALA 27 1.286 22.942 -1.426 202 HB1 ALA 27 1HB ALA 27 3.082 23.284 0.232 203 HB2 ALA 27 2HB ALA 27 1.997 24.270 1.201 204 HB3 ALA 27 3HB ALA 27 2.484 24.816 -0.403 205 H ALA 28 H ALA 28 -0.152 23.147 1.749 206 HA ALA 28 HA ALA 28 0.630 20.684 2.763 207 HB1 ALA 28 1HB ALA 28 -0.261 22.482 4.143 208 HB2 ALA 28 2HB ALA 28 -1.134 20.969 4.407 209 HB3 ALA 28 3HB ALA 28 -1.851 22.244 3.417 210 H GLN 29 H GLN 29 -2.271 21.537 0.917 211 HA GLN 29 HA GLN 29 -3.680 19.145 1.104 212 HB2 GLN 29 2HB GLN 29 -3.460 21.079 -1.175 213 HB3 GLN 29 1HB GLN 29 -4.530 19.695 -1.214 214 HG2 GLN 29 2HG GLN 29 -5.751 20.560 0.686 215 HG3 GLN 29 1HG GLN 29 -4.634 21.924 0.793 216 HE21 GLN 29 1HE2 GLN 29 -4.715 23.497 -0.688 217 HE22 GLN 29 2HE2 GLN 29 -6.001 23.726 -1.807 218 H GLN 30 H GLN 30 -1.188 20.051 -1.197 219 HA GLN 30 HA GLN 30 -1.316 17.757 -2.833 220 HB2 GLN 30 2HB GLN 30 -0.218 19.796 -3.556 221 HB3 GLN 30 1HB GLN 30 0.960 19.654 -2.258 222 HG2 GLN 30 2HG GLN 30 1.775 17.554 -3.280 223 HG3 GLN 30 1HG GLN 30 0.660 17.815 -4.620 224 HE21 GLN 30 1HE2 GLN 30 2.431 20.423 -3.030 225 HE22 GLN 30 2HE2 GLN 30 3.446 20.767 -4.362 226 H GLU 31 H GLU 31 0.709 18.566 -0.078 227 HA GLU 31 HA GLU 31 2.219 16.173 -0.252 228 HB2 GLU 31 2HB GLU 31 2.040 18.225 1.945 229 HB3 GLU 31 1HB GLU 31 3.240 16.936 1.859 230 HG2 GLU 31 2HG GLU 31 4.059 17.820 -0.264 231 HG3 GLU 31 1HG GLU 31 2.851 19.094 -0.206 232 H ALA 32 H ALA 32 -0.525 17.181 1.736 233 HA ALA 32 HA ALA 32 -0.558 14.894 3.381 234 HB1 ALA 32 1HB ALA 32 -2.860 16.683 2.576 235 HB2 ALA 32 2HB ALA 32 -1.789 16.944 3.952 236 HB3 ALA 32 3HB ALA 32 -2.865 15.545 3.922 237 H LYS 33 H LYS 33 -2.136 15.695 0.331 238 HA LYS 33 HA LYS 33 -3.624 13.322 0.068 239 HB2 LYS 33 2HB LYS 33 -4.069 15.362 -1.245 240 HB3 LYS 33 1HB LYS 33 -2.538 15.149 -2.069 241 HG2 LYS 33 2HG LYS 33 -4.267 14.377 -3.520 242 HG3 LYS 33 1HG LYS 33 -3.318 13.003 -2.920 243 HD2 LYS 33 2HD LYS 33 -5.725 12.483 -2.933 244 HD3 LYS 33 1HD LYS 33 -5.041 12.442 -1.311 245 HE2 LYS 33 2HE LYS 33 -5.953 14.662 -0.861 246 HE3 LYS 33 1HE LYS 33 -6.589 14.742 -2.507 247 HZ1 LYS 33 3HZ LYS 33 -8.279 14.145 -0.914 248 HZ2 LYS 33 1HZ LYS 33 -7.406 12.773 -0.437 249 HZ3 LYS 33 2HZ LYS 33 -8.024 12.885 -1.996 250 H HIS 34 H HIS 34 -0.413 14.266 -1.058 251 HA HIS 34 HA HIS 34 0.168 11.949 -2.507 252 HB2 HIS 34 2HB HIS 34 1.485 14.061 -2.635 253 HB3 HIS 34 1HB HIS 34 2.122 13.741 -1.029 254 HD1 HIS 34 1HD HIS 34 2.265 12.416 -4.555 255 HD2 HIS 34 2HD HIS 34 4.314 12.066 -0.960 256 HE1 HIS 34 1HE HIS 34 4.350 11.096 -5.076 257 HE2 HIS 34 2HE HIS 34 5.687 11.223 -2.985 258 H ARG 35 H ARG 35 0.398 12.655 0.926 259 HA ARG 35 HA ARG 35 1.780 10.289 1.643 260 HB2 ARG 35 2HB ARG 35 1.608 12.224 3.164 261 HB3 ARG 35 1HB ARG 35 -0.128 11.985 3.277 262 HG2 ARG 35 2HG ARG 35 0.225 9.839 4.372 263 HG3 ARG 35 1HG ARG 35 1.968 10.036 4.221 264 HD2 ARG 35 2HD ARG 35 1.863 12.042 5.615 265 HD3 ARG 35 1HD ARG 35 0.117 11.853 5.763 266 HE ARG 35 HE ARG 35 1.173 9.475 6.623 267 HH11 ARG 35 1HH1 ARG 35 1.519 12.865 7.654 268 HH12 ARG 35 2HH1 ARG 35 1.774 12.438 9.281 269 HH21 ARG 35 1HH2 ARG 35 1.576 8.965 8.832 270 HH22 ARG 35 2HH2 ARG 35 1.866 10.235 9.954 271 H GLU 36 H GLU 36 -1.672 11.137 1.489 272 HA GLU 36 HA GLU 36 -2.802 8.726 2.333 273 HB2 GLU 36 2HB GLU 36 -3.722 10.898 0.468 274 HB3 GLU 36 1HB GLU 36 -4.723 9.491 0.784 275 HG2 GLU 36 2HG GLU 36 -3.684 11.194 3.020 276 HG3 GLU 36 1HG GLU 36 -5.152 11.624 2.141 277 H ALA 37 H ALA 37 -1.809 9.822 -0.828 278 HA ALA 37 HA ALA 37 -2.693 7.599 -2.286 279 HB1 ALA 37 1HB ALA 37 -2.243 9.793 -3.286 280 HB2 ALA 37 2HB ALA 37 -1.398 8.491 -4.117 281 HB3 ALA 37 3HB ALA 37 -0.517 9.550 -3.014 282 H GLU 38 H GLU 38 0.622 8.449 -1.212 283 HA GLU 38 HA GLU 38 1.849 6.176 -2.272 284 HB2 GLU 38 2HB GLU 38 2.702 7.905 0.040 285 HB3 GLU 38 1HB GLU 38 3.695 6.614 -0.612 286 HG2 GLU 38 2HG GLU 38 2.729 9.029 -2.128 287 HG3 GLU 38 1HG GLU 38 4.347 8.805 -1.474 288 H MET 39 H MET 39 0.379 6.596 0.895 289 HA MET 39 HA MET 39 1.323 4.209 2.054 290 HB2 MET 39 2HB MET 39 -1.241 5.712 2.575 291 HB3 MET 39 1HB MET 39 -0.727 4.330 3.522 292 HG2 MET 39 2HG MET 39 0.984 6.781 3.256 293 HG3 MET 39 1HG MET 39 -0.312 6.692 4.431 294 HE1 MET 39 3HE MET 39 2.430 3.722 3.492 295 HE2 MET 39 1HE MET 39 3.646 4.262 4.622 296 HE3 MET 39 2HE MET 39 3.177 5.310 3.275 297 H ARG 40 H ARG 40 -1.604 4.832 0.247 298 HA ARG 40 HA ARG 40 -2.537 2.136 0.412 299 HB2 ARG 40 2HB ARG 40 -3.422 4.476 -1.259 300 HB3 ARG 40 1HB ARG 40 -4.227 2.911 -1.272 301 HG2 ARG 40 2HG ARG 40 -4.841 3.126 1.018 302 HG3 ARG 40 1HG ARG 40 -3.836 4.564 1.208 303 HD2 ARG 40 2HD ARG 40 -5.268 5.794 -0.319 304 HD3 ARG 40 1HD ARG 40 -6.240 4.351 -0.604 305 HE ARG 40 HE ARG 40 -7.307 4.680 1.335 306 HH11 ARG 40 1HH1 ARG 40 -4.402 6.759 1.418 307 HH12 ARG 40 2HH1 ARG 40 -4.921 7.626 2.799 308 HH21 ARG 40 1HH2 ARG 40 -7.963 5.924 3.241 309 HH22 ARG 40 2HH2 ARG 40 -6.949 7.161 3.815 310 H ASN 41 H ASN 41 -1.215 4.096 -2.234 311 HA ASN 41 HA ASN 41 -1.560 2.150 -4.209 312 HB2 ASN 41 2HB ASN 41 0.118 4.630 -4.178 313 HB3 ASN 41 1HB ASN 41 0.114 3.542 -5.560 314 HD21 ASN 41 1HD2 ASN 41 -1.652 5.862 -3.765 315 HD22 ASN 41 2HD2 ASN 41 -2.973 6.069 -4.854 316 H SER 42 H SER 42 1.098 2.493 -1.989 317 HA SER 42 HA SER 42 2.955 1.051 -3.559 318 HB2 SER 42 2HB SER 42 4.096 0.756 -1.284 319 HB3 SER 42 1HB SER 42 3.839 2.412 -1.839 320 HG SER 42 HG SER 42 2.445 2.747 -0.336 321 H ILE 43 H ILE 43 0.861 0.058 -0.863 322 HA ILE 43 HA ILE 43 1.666 -2.646 -1.217 323 HB ILE 43 HB ILE 43 0.043 -3.292 0.519 324 HG12 ILE 43 2HG1 ILE 43 -0.665 -0.328 0.625 325 HG13 ILE 43 1HG1 ILE 43 -1.726 -1.640 0.137 326 HG21 ILE 43 1HG2 ILE 43 1.155 -2.125 2.378 327 HG22 ILE 43 2HG2 ILE 43 1.838 -0.984 1.220 328 HG23 ILE 43 3HG2 ILE 43 2.285 -2.685 1.144 329 HD11 ILE 43 3HD1 ILE 43 -1.664 -2.542 2.380 330 HD12 ILE 43 1HD1 ILE 43 -2.171 -0.851 2.403 331 HD13 ILE 43 2HD1 ILE 43 -0.530 -1.284 2.866 332 H LEU 44 H LEU 44 -1.108 -0.786 -2.191 333 HA LEU 44 HA LEU 44 -2.656 -2.929 -3.133 334 HB2 LEU 44 2HB LEU 44 -2.530 -0.090 -4.150 335 HB3 LEU 44 1HB LEU 44 -3.741 -1.256 -4.631 336 HG LEU 44 HG LEU 44 -3.366 -0.149 -1.846 337 HD11 LEU 44 1HD1 LEU 44 -4.281 1.485 -3.378 338 HD12 LEU 44 2HD1 LEU 44 -5.514 0.941 -2.240 339 HD13 LEU 44 3HD1 LEU 44 -5.513 0.335 -3.895 340 HD21 LEU 44 3HD2 LEU 44 -5.437 -2.064 -2.931 341 HD22 LEU 44 1HD2 LEU 44 -5.475 -1.314 -1.334 342 HD23 LEU 44 2HD2 LEU 44 -4.186 -2.437 -1.744 343 H ALA 45 H ALA 45 0.079 -1.256 -4.578 344 HA ALA 45 HA ALA 45 -0.214 -2.295 -7.190 345 HB1 ALA 45 1HB ALA 45 1.233 -0.373 -6.670 346 HB2 ALA 45 2HB ALA 45 2.116 -1.645 -7.511 347 HB3 ALA 45 3HB ALA 45 2.310 -1.440 -5.770 348 H GLN 46 H GLN 46 1.199 -3.503 -4.276 349 HA GLN 46 HA GLN 46 2.674 -5.636 -5.442 350 HB2 GLN 46 2HB GLN 46 1.651 -5.358 -2.623 351 HB3 GLN 46 1HB GLN 46 2.855 -6.503 -3.180 352 HG2 GLN 46 2HG GLN 46 4.350 -4.631 -3.734 353 HG3 GLN 46 1HG GLN 46 3.136 -3.509 -3.124 354 HE21 GLN 46 1HE2 GLN 46 5.848 -4.013 -2.183 355 HE22 GLN 46 2HE2 GLN 46 5.705 -4.463 -0.528 356 H VAL 47 H VAL 47 -0.488 -5.353 -3.956 357 HA VAL 47 HA VAL 47 -1.074 -8.210 -4.188 358 HB VAL 47 HB VAL 47 -2.989 -6.015 -3.445 359 HG11 VAL 47 1HG1 VAL 47 -3.004 -8.976 -2.985 360 HG12 VAL 47 2HG1 VAL 47 -4.205 -7.970 -3.800 361 HG13 VAL 47 3HG1 VAL 47 -3.978 -7.866 -2.052 362 HG21 VAL 47 3HG2 VAL 47 -1.122 -7.463 -1.549 363 HG22 VAL 47 1HG2 VAL 47 -2.464 -6.420 -1.072 364 HG23 VAL 47 2HG2 VAL 47 -1.098 -5.751 -1.962 365 H LEU 48 H LEU 48 -2.152 -5.240 -5.756 366 HA LEU 48 HA LEU 48 -3.932 -6.917 -7.292 367 HB2 LEU 48 2HB LEU 48 -3.767 -3.953 -6.979 368 HB3 LEU 48 1HB LEU 48 -4.869 -4.760 -8.086 369 HG LEU 48 HG LEU 48 -4.849 -5.010 -5.072 370 HD11 LEU 48 1HD1 LEU 48 -6.753 -3.587 -6.932 371 HD12 LEU 48 2HD1 LEU 48 -5.603 -2.810 -5.839 372 HD13 LEU 48 3HD1 LEU 48 -6.944 -3.752 -5.186 373 HD21 LEU 48 3HD2 LEU 48 -5.596 -7.027 -6.145 374 HD22 LEU 48 1HD2 LEU 48 -6.680 -6.085 -7.172 375 HD23 LEU 48 2HD2 LEU 48 -6.978 -6.179 -5.426 376 H ASP 49 H ASP 49 -3.614 -7.464 -9.176 377 HA ASP 49 HA ASP 49 -1.457 -6.822 -10.858 378 HB2 ASP 49 2HB ASP 49 -2.920 -8.833 -11.179 379 HB3 ASP 49 1HB ASP 49 -4.239 -7.775 -11.630 380 H GLN 50 H GLN 50 -1.494 -5.588 -12.734 381 HA GLN 50 HA GLN 50 -2.198 -2.910 -12.581 382 HB2 GLN 50 2HB GLN 50 -0.548 -3.851 -14.142 383 HB3 GLN 50 1HB GLN 50 -1.846 -4.593 -15.060 384 HG2 GLN 50 2HG GLN 50 -2.711 -2.289 -15.525 385 HG3 GLN 50 1HG GLN 50 -1.249 -1.658 -14.767 386 HE21 GLN 50 1HE2 GLN 50 -0.479 -0.715 -16.685 387 HE22 GLN 50 2HE2 GLN 50 0.095 -1.681 -17.985 388 H SER 51 H SER 51 -3.968 -5.607 -14.005 389 HA SER 51 HA SER 51 -5.957 -4.100 -15.357 390 HB2 SER 51 2HB SER 51 -6.239 -6.925 -14.350 391 HB3 SER 51 1HB SER 51 -6.944 -6.200 -15.795 392 HG SER 51 HG SER 51 -4.327 -7.029 -15.287 393 H ALA 52 H ALA 52 -5.686 -5.545 -12.161 394 HA ALA 52 HA ALA 52 -8.411 -5.199 -11.425 395 HB1 ALA 52 1HB ALA 52 -7.002 -6.899 -10.363 396 HB2 ALA 52 2HB ALA 52 -7.639 -5.771 -9.164 397 HB3 ALA 52 3HB ALA 52 -5.967 -5.634 -9.707 398 H ARG 53 H ARG 53 -5.487 -3.353 -11.114 399 HA ARG 53 HA ARG 53 -6.643 -1.403 -9.416 400 HB2 ARG 53 2HB ARG 53 -4.066 -1.513 -10.936 401 HB3 ARG 53 1HB ARG 53 -4.552 -0.113 -9.971 402 HG2 ARG 53 2HG ARG 53 -4.333 -1.164 -8.019 403 HG3 ARG 53 1HG ARG 53 -4.863 -2.685 -8.714 404 HD2 ARG 53 2HD ARG 53 -2.594 -2.813 -8.002 405 HD3 ARG 53 1HD ARG 53 -2.736 -3.024 -9.730 406 HE ARG 53 HE ARG 53 -2.211 -0.319 -9.031 407 HH11 ARG 53 1HH1 ARG 53 -0.644 -3.469 -9.381 408 HH12 ARG 53 2HH1 ARG 53 0.826 -2.858 -9.985 409 HH21 ARG 53 1HH2 ARG 53 -0.216 0.557 -9.839 410 HH22 ARG 53 2HH2 ARG 53 1.087 -0.464 -10.250 411 H ALA 54 H ALA 54 -6.376 -1.740 -12.870 412 HA ALA 54 HA ALA 54 -7.232 0.880 -13.515 413 HB1 ALA 54 1HB ALA 54 -6.230 -0.626 -15.190 414 HB2 ALA 54 2HB ALA 54 -7.820 -0.070 -15.706 415 HB3 ALA 54 3HB ALA 54 -7.625 -1.699 -15.056 416 H ARG 55 H ARG 55 -8.918 -2.193 -12.989 417 HA ARG 55 HA ARG 55 -11.561 -1.304 -13.296 418 HB2 ARG 55 2HB ARG 55 -10.637 -3.674 -13.173 419 HB3 ARG 55 1HB ARG 55 -10.591 -3.454 -11.432 420 HG2 ARG 55 2HG ARG 55 -12.609 -4.613 -12.051 421 HG3 ARG 55 1HG ARG 55 -12.971 -2.977 -11.457 422 HD2 ARG 55 2HD ARG 55 -14.277 -3.579 -13.453 423 HD3 ARG 55 1HD ARG 55 -13.297 -2.150 -13.682 424 HE ARG 55 HE ARG 55 -11.989 -4.564 -14.577 425 HH11 ARG 55 1HH1 ARG 55 -14.382 -2.168 -15.595 426 HH12 ARG 55 2HH1 ARG 55 -13.998 -2.331 -17.254 427 HH21 ARG 55 1HH2 ARG 55 -11.510 -4.786 -16.723 428 HH22 ARG 55 2HH2 ARG 55 -12.310 -3.890 -17.944 429 H LEU 56 H LEU 56 -9.456 -1.498 -10.485 430 HA LEU 56 HA LEU 56 -11.133 -0.638 -8.451 431 HB2 LEU 56 2HB LEU 56 -8.872 -1.497 -8.087 432 HB3 LEU 56 1HB LEU 56 -8.196 -0.088 -8.868 433 HG LEU 56 HG LEU 56 -9.070 1.312 -7.016 434 HD11 LEU 56 1HD1 LEU 56 -9.797 0.227 -4.953 435 HD12 LEU 56 2HD1 LEU 56 -9.769 -1.334 -5.771 436 HD13 LEU 56 3HD1 LEU 56 -10.902 -0.083 -6.290 437 HD21 LEU 56 3HD2 LEU 56 -7.254 -0.954 -6.201 438 HD22 LEU 56 1HD2 LEU 56 -7.409 0.592 -5.368 439 HD23 LEU 56 2HD2 LEU 56 -6.763 0.533 -7.008 440 H SER 57 H SER 57 -9.063 1.308 -10.581 441 HA SER 57 HA SER 57 -9.676 3.830 -9.603 442 HB2 SER 57 2HB SER 57 -8.940 2.941 -12.388 443 HB3 SER 57 1HB SER 57 -8.835 4.598 -11.791 444 HG SER 57 HG SER 57 -7.247 2.361 -11.211 445 H ASN 58 H ASN 58 -11.179 1.964 -12.177 446 HA ASN 58 HA ASN 58 -13.164 3.785 -12.943 447 HB2 ASN 58 2HB ASN 58 -12.815 1.905 -14.361 448 HB3 ASN 58 1HB ASN 58 -13.083 0.769 -13.045 449 HD21 ASN 58 1HD2 ASN 58 -15.147 0.174 -12.533 450 HD22 ASN 58 2HD2 ASN 58 -16.524 0.608 -13.449 451 H LEU 59 H LEU 59 -13.257 1.300 -10.402 452 HA LEU 59 HA LEU 59 -15.913 1.777 -9.636 453 HB2 LEU 59 2HB LEU 59 -13.600 0.412 -8.362 454 HB3 LEU 59 1HB LEU 59 -14.917 0.881 -7.319 455 HG LEU 59 HG LEU 59 -15.115 -1.454 -7.975 456 HD11 LEU 59 1HD1 LEU 59 -17.396 -1.462 -8.796 457 HD12 LEU 59 2HD1 LEU 59 -17.253 0.227 -9.254 458 HD13 LEU 59 3HD1 LEU 59 -17.156 -0.237 -7.554 459 HD21 LEU 59 3HD2 LEU 59 -15.577 -2.115 -10.283 460 HD22 LEU 59 1HD2 LEU 59 -13.983 -1.370 -10.139 461 HD23 LEU 59 2HD2 LEU 59 -15.333 -0.451 -10.810 462 H ALA 60 H ALA 60 -12.929 3.323 -8.746 463 HA ALA 60 HA ALA 60 -13.848 4.810 -6.530 464 HB1 ALA 60 1HB ALA 60 -11.696 5.567 -8.492 465 HB2 ALA 60 2HB ALA 60 -11.461 4.490 -7.120 466 HB3 ALA 60 3HB ALA 60 -11.878 6.189 -6.849 467 H LEU 61 H LEU 61 -14.120 5.285 -9.937 468 HA LEU 61 HA LEU 61 -14.900 8.046 -9.725 469 HB2 LEU 61 2HB LEU 61 -14.897 6.150 -12.057 470 HB3 LEU 61 1HB LEU 61 -15.252 7.862 -12.174 471 HG LEU 61 HG LEU 61 -12.612 6.664 -11.324 472 HD11 LEU 61 1HD1 LEU 61 -13.426 8.024 -13.886 473 HD12 LEU 61 2HD1 LEU 61 -13.071 6.309 -13.683 474 HD13 LEU 61 3HD1 LEU 61 -11.792 7.505 -13.466 475 HD21 LEU 61 3HD2 LEU 61 -11.770 8.968 -11.501 476 HD22 LEU 61 1HD2 LEU 61 -13.006 8.819 -10.253 477 HD23 LEU 61 2HD2 LEU 61 -13.409 9.536 -11.812 478 H VAL 62 H VAL 62 -16.492 5.000 -9.716 479 HA VAL 62 HA VAL 62 -18.999 6.398 -10.207 480 HB VAL 62 HB VAL 62 -20.091 4.183 -10.578 481 HG11 VAL 62 1HG1 VAL 62 -17.738 4.801 -12.348 482 HG12 VAL 62 2HG1 VAL 62 -19.345 5.525 -12.449 483 HG13 VAL 62 3HG1 VAL 62 -19.125 3.808 -12.793 484 HG21 VAL 62 3HG2 VAL 62 -18.540 2.757 -9.326 485 HG22 VAL 62 1HG2 VAL 62 -17.265 3.126 -10.488 486 HG23 VAL 62 2HG2 VAL 62 -18.686 2.212 -10.998 487 H LYS 63 H LYS 63 -17.504 4.290 -7.777 488 HA LYS 63 HA LYS 63 -19.326 5.370 -5.887 489 HB2 LYS 63 2HB LYS 63 -20.189 3.192 -5.054 490 HB3 LYS 63 1HB LYS 63 -20.728 3.559 -6.681 491 HG2 LYS 63 2HG LYS 63 -18.696 2.035 -7.369 492 HG3 LYS 63 1HG LYS 63 -18.858 1.439 -5.720 493 HD2 LYS 63 2HD LYS 63 -20.980 1.435 -7.862 494 HD3 LYS 63 1HD LYS 63 -20.139 0.026 -7.228 495 HE2 LYS 63 2HE LYS 63 -21.182 0.387 -5.036 496 HE3 LYS 63 1HE LYS 63 -21.992 1.824 -5.658 497 HZ1 LYS 63 3HZ LYS 63 -23.483 -0.083 -5.653 498 HZ2 LYS 63 1HZ LYS 63 -22.429 -0.957 -6.633 499 HZ3 LYS 63 2HZ LYS 63 -23.189 0.408 -7.229 500 HA PRO 64 HA PRO 64 -15.028 5.173 -4.335 501 HB2 PRO 64 2HB PRO 64 -16.222 7.223 -2.552 502 HB3 PRO 64 1HB PRO 64 -14.726 7.280 -3.486 503 HG2 PRO 64 2HG PRO 64 -16.874 8.650 -4.230 504 HG3 PRO 64 1HG PRO 64 -15.808 7.890 -5.432 505 HD2 PRO 64 2HD PRO 64 -18.503 7.041 -4.463 506 HD3 PRO 64 1HD PRO 64 -17.799 6.924 -6.085 507 H GLU 65 H GLU 65 -18.053 4.946 -2.727 508 HA GLU 65 HA GLU 65 -17.355 4.350 -0.118 509 HB2 GLU 65 2HB GLU 65 -19.593 3.178 -1.749 510 HB3 GLU 65 1HB GLU 65 -19.482 3.130 0.005 511 HG2 GLU 65 2HG GLU 65 -19.659 5.512 0.121 512 HG3 GLU 65 1HG GLU 65 -19.620 5.630 -1.640 513 H LYS 66 H LYS 66 -17.696 2.248 -2.935 514 HA LYS 66 HA LYS 66 -17.035 -0.112 -1.440 515 HB2 LYS 66 2HB LYS 66 -17.423 0.286 -4.407 516 HB3 LYS 66 1HB LYS 66 -17.114 -1.257 -3.626 517 HG2 LYS 66 2HG LYS 66 -19.527 0.465 -3.092 518 HG3 LYS 66 1HG LYS 66 -19.480 -0.911 -4.190 519 HD2 LYS 66 2HD LYS 66 -20.184 -2.064 -2.392 520 HD3 LYS 66 1HD LYS 66 -18.487 -2.047 -1.946 521 HE2 LYS 66 2HE LYS 66 -19.778 -1.428 -0.013 522 HE3 LYS 66 1HE LYS 66 -18.932 0.008 -0.574 523 HZ1 LYS 66 3HZ LYS 66 -21.034 0.713 -1.674 524 HZ2 LYS 66 1HZ LYS 66 -21.247 0.502 -0.015 525 HZ3 LYS 66 2HZ LYS 66 -21.796 -0.648 -1.089 526 H THR 67 H THR 67 -15.386 2.183 -3.489 527 HA THR 67 HA THR 67 -13.039 0.770 -4.007 528 HB THR 67 HB THR 67 -13.175 3.692 -3.361 529 HG1 THR 67 1HG THR 67 -13.921 2.423 -5.817 530 HG21 THR 67 3HG2 THR 67 -11.521 3.857 -5.161 531 HG22 THR 67 1HG2 THR 67 -11.649 2.121 -5.455 532 HG23 THR 67 2HG2 THR 67 -10.991 2.712 -3.932 533 H LYS 68 H LYS 68 -13.886 3.047 -1.417 534 HA LYS 68 HA LYS 68 -11.509 2.876 0.043 535 HB2 LYS 68 2HB LYS 68 -13.219 4.670 0.211 536 HB3 LYS 68 1HB LYS 68 -14.297 3.531 0.988 537 HG2 LYS 68 2HG LYS 68 -12.861 3.398 2.909 538 HG3 LYS 68 1HG LYS 68 -11.629 4.376 2.104 539 HD2 LYS 68 2HD LYS 68 -12.836 5.796 3.623 540 HD3 LYS 68 1HD LYS 68 -13.266 6.234 1.972 541 HE2 LYS 68 2HE LYS 68 -15.272 6.243 3.291 542 HE3 LYS 68 1HE LYS 68 -15.343 4.851 2.215 543 HZ1 LYS 68 3HZ LYS 68 -16.046 4.272 4.456 544 HZ2 LYS 68 1HZ LYS 68 -14.595 4.836 5.077 545 HZ3 LYS 68 2HZ LYS 68 -14.611 3.459 4.106 546 H ALA 69 H ALA 69 -14.421 0.983 0.035 547 HA ALA 69 HA ALA 69 -13.870 -0.481 2.391 548 HB1 ALA 69 1HB ALA 69 -15.660 -1.284 0.099 549 HB2 ALA 69 2HB ALA 69 -16.137 -0.241 1.438 550 HB3 ALA 69 3HB ALA 69 -15.685 -1.919 1.750 551 H VAL 70 H VAL 70 -13.381 -1.247 -1.095 552 HA VAL 70 HA VAL 70 -12.140 -3.691 -0.431 553 HB VAL 70 HB VAL 70 -11.306 -3.847 -2.754 554 HG11 VAL 70 1HG1 VAL 70 -14.175 -2.997 -2.611 555 HG12 VAL 70 2HG1 VAL 70 -13.544 -4.609 -2.273 556 HG13 VAL 70 3HG1 VAL 70 -13.443 -3.944 -3.903 557 HG21 VAL 70 3HG2 VAL 70 -12.527 -1.122 -3.132 558 HG22 VAL 70 1HG2 VAL 70 -11.908 -2.152 -4.424 559 HG23 VAL 70 2HG2 VAL 70 -10.808 -1.514 -3.201 560 H GLU 71 H GLU 71 -10.837 -0.444 -0.981 561 HA GLU 71 HA GLU 71 -8.137 -1.094 -0.921 562 HB2 GLU 71 2HB GLU 71 -9.569 1.350 0.134 563 HB3 GLU 71 1HB GLU 71 -7.811 1.211 0.142 564 HG2 GLU 71 2HG GLU 71 -7.898 1.008 -2.324 565 HG3 GLU 71 1HG GLU 71 -9.646 1.235 -2.245 566 H ASN 72 H ASN 72 -10.300 -0.318 1.814 567 HA ASN 72 HA ASN 72 -8.543 -0.663 3.913 568 HB2 ASN 72 2HB ASN 72 -10.913 0.205 3.986 569 HB3 ASN 72 1HB ASN 72 -11.461 -1.459 3.878 570 HD21 ASN 72 1HD2 ASN 72 -10.064 0.960 5.848 571 HD22 ASN 72 2HD2 ASN 72 -10.118 0.095 7.333 572 H TYR 73 H TYR 73 -10.559 -3.022 2.224 573 HA TYR 73 HA TYR 73 -9.939 -5.218 3.862 574 HB2 TYR 73 2HB TYR 73 -11.908 -5.085 2.331 575 HB3 TYR 73 1HB TYR 73 -10.816 -5.283 0.969 576 HD1 TYR 73 2HD TYR 73 -12.261 -6.940 3.921 577 HD2 TYR 73 1HD TYR 73 -9.964 -7.477 0.379 578 HE1 TYR 73 2HE TYR 73 -12.506 -9.379 4.138 579 HE2 TYR 73 1HE TYR 73 -10.193 -9.911 0.595 580 HH TYR 73 HH TYR 73 -10.647 -11.578 2.490 581 H LEU 74 H LEU 74 -8.566 -4.172 0.724 582 HA LEU 74 HA LEU 74 -6.739 -6.312 0.657 583 HB2 LEU 74 2HB LEU 74 -6.791 -3.758 -0.933 584 HB3 LEU 74 1HB LEU 74 -5.415 -4.841 -0.998 585 HG LEU 74 HG LEU 74 -6.766 -5.264 -2.909 586 HD11 LEU 74 1HD1 LEU 74 -7.205 -7.488 -0.954 587 HD12 LEU 74 2HD1 LEU 74 -5.748 -7.172 -1.886 588 HD13 LEU 74 3HD1 LEU 74 -7.245 -7.604 -2.717 589 HD21 LEU 74 3HD2 LEU 74 -9.095 -5.756 -1.062 590 HD22 LEU 74 1HD2 LEU 74 -9.090 -6.023 -2.805 591 HD23 LEU 74 2HD2 LEU 74 -8.909 -4.392 -2.164 592 H ILE 75 H ILE 75 -6.408 -3.083 1.986 593 HA ILE 75 HA ILE 75 -3.687 -3.100 2.619 594 HB ILE 75 HB ILE 75 -5.996 -2.012 4.291 595 HG12 ILE 75 2HG1 ILE 75 -4.104 -0.583 2.387 596 HG13 ILE 75 1HG1 ILE 75 -5.779 -0.987 2.060 597 HG21 ILE 75 1HG2 ILE 75 -4.066 -2.332 5.733 598 HG22 ILE 75 2HG2 ILE 75 -4.345 -0.614 5.462 599 HG23 ILE 75 3HG2 ILE 75 -3.048 -1.442 4.601 600 HD11 ILE 75 3HD1 ILE 75 -4.814 0.907 4.191 601 HD12 ILE 75 1HD1 ILE 75 -6.498 0.512 3.847 602 HD13 ILE 75 2HD1 ILE 75 -5.526 1.357 2.642 603 H GLN 76 H GLN 76 -6.433 -4.441 4.393 604 HA GLN 76 HA GLN 76 -4.851 -5.584 6.465 605 HB2 GLN 76 2HB GLN 76 -7.727 -6.067 5.690 606 HB3 GLN 76 1HB GLN 76 -6.960 -6.701 7.141 607 HG2 GLN 76 2HG GLN 76 -7.273 -3.781 6.476 608 HG3 GLN 76 1HG GLN 76 -8.294 -4.701 7.575 609 HE21 GLN 76 1HE2 GLN 76 -7.484 -5.299 9.574 610 HE22 GLN 76 2HE2 GLN 76 -6.079 -4.551 10.239 611 H MET 77 H MET 77 -6.265 -6.804 3.509 612 HA MET 77 HA MET 77 -5.885 -9.557 3.830 613 HB2 MET 77 2HB MET 77 -7.193 -8.303 2.043 614 HB3 MET 77 1HB MET 77 -5.663 -7.958 1.276 615 HG2 MET 77 2HG MET 77 -6.695 -10.747 1.710 616 HG3 MET 77 1HG MET 77 -7.047 -9.800 0.276 617 HE1 MET 77 3HE MET 77 -4.629 -12.353 -1.234 618 HE2 MET 77 1HE MET 77 -6.138 -11.459 -1.428 619 HE3 MET 77 2HE MET 77 -5.952 -12.593 -0.092 620 H ALA 78 H ALA 78 -3.742 -7.062 2.544 621 HA ALA 78 HA ALA 78 -1.534 -8.745 1.976 622 HB1 ALA 78 1HB ALA 78 -1.793 -6.501 1.007 623 HB2 ALA 78 2HB ALA 78 -0.248 -6.677 1.836 624 HB3 ALA 78 3HB ALA 78 -1.565 -5.788 2.605 625 H ARG 79 H ARG 79 -2.626 -7.055 4.806 626 HA ARG 79 HA ARG 79 -0.298 -7.294 6.400 627 HB2 ARG 79 2HB ARG 79 -2.215 -5.735 6.820 628 HB3 ARG 79 1HB ARG 79 -3.175 -7.122 7.312 629 HG2 ARG 79 2HG ARG 79 -1.595 -7.536 9.148 630 HG3 ARG 79 1HG ARG 79 -0.687 -6.097 8.667 631 HD2 ARG 79 2HD ARG 79 -2.753 -4.777 8.936 632 HD3 ARG 79 1HD ARG 79 -3.557 -6.206 9.570 633 HE ARG 79 HE ARG 79 -1.141 -5.157 10.841 634 HH11 ARG 79 1HH1 ARG 79 -4.519 -6.202 11.135 635 HH12 ARG 79 2HH1 ARG 79 -4.672 -5.700 12.759 636 HH21 ARG 79 1HH2 ARG 79 -1.377 -4.505 13.129 637 HH22 ARG 79 2HH2 ARG 79 -2.894 -4.720 13.871 638 H TYR 80 H TYR 80 -3.171 -9.311 5.981 639 HA TYR 80 HA TYR 80 -2.366 -11.287 7.879 640 HB2 TYR 80 2HB TYR 80 -4.307 -11.480 5.562 641 HB3 TYR 80 1HB TYR 80 -4.030 -12.785 6.700 642 HD1 TYR 80 1HD TYR 80 -4.683 -12.413 9.127 643 HD2 TYR 80 2HD TYR 80 -5.780 -9.742 6.031 644 HE1 TYR 80 1HE TYR 80 -6.472 -11.497 10.555 645 HE2 TYR 80 2HE TYR 80 -7.533 -8.808 7.424 646 HH TYR 80 HH TYR 80 -8.894 -9.478 9.274 647 H GLY 81 H GLY 81 -1.780 -10.773 4.449 648 HA2 GLY 81 2HA GLY 81 0.024 -11.571 3.258 649 HA3 GLY 81 1HA GLY 81 0.393 -12.683 4.579 650 H GLN 82 H GLN 82 -2.637 -12.175 2.918 651 HA GLN 82 HA GLN 82 -2.781 -15.045 2.487 652 HB2 GLN 82 2HB GLN 82 -4.883 -12.897 2.323 653 HB3 GLN 82 1HB GLN 82 -5.176 -14.599 1.986 654 HG2 GLN 82 2HG GLN 82 -4.201 -13.457 4.580 655 HG3 GLN 82 1HG GLN 82 -5.847 -14.016 4.255 656 HE21 GLN 82 1HE2 GLN 82 -3.879 -14.941 6.238 657 HE22 GLN 82 2HE2 GLN 82 -3.660 -16.613 5.939 658 H LEU 83 H LEU 83 -1.416 -12.812 0.828 659 HA LEU 83 HA LEU 83 -2.453 -13.771 -1.747 660 HB2 LEU 83 2HB LEU 83 -1.849 -11.713 -2.785 661 HB3 LEU 83 1HB LEU 83 -2.644 -11.303 -1.271 662 HG LEU 83 HG LEU 83 0.324 -11.400 -1.162 663 HD11 LEU 83 1HD1 LEU 83 -1.147 -9.224 -2.528 664 HD12 LEU 83 2HD1 LEU 83 -0.021 -10.351 -3.288 665 HD13 LEU 83 3HD1 LEU 83 0.554 -9.208 -2.068 666 HD21 LEU 83 3HD2 LEU 83 -0.058 -9.480 0.278 667 HD22 LEU 83 1HD2 LEU 83 -1.074 -10.828 0.789 668 HD23 LEU 83 2HD2 LEU 83 -1.767 -9.489 -0.134 669 H SER 84 H SER 84 -0.853 -14.216 -3.306 670 HA SER 84 HA SER 84 1.791 -14.723 -2.194 671 HB2 SER 84 2HB SER 84 0.541 -15.610 -4.812 672 HB3 SER 84 1HB SER 84 2.114 -16.121 -4.189 673 HG SER 84 HG SER 84 1.187 -17.374 -2.781 674 H GLU 85 H GLU 85 0.287 -13.507 -5.162 675 HA GLU 85 HA GLU 85 2.074 -11.224 -5.350 676 HB2 GLU 85 2HB GLU 85 1.921 -13.438 -7.418 677 HB3 GLU 85 1HB GLU 85 2.566 -11.837 -7.746 678 HG2 GLU 85 2HG GLU 85 4.317 -12.134 -6.127 679 HG3 GLU 85 1HG GLU 85 3.624 -13.665 -5.612 680 H LYS 86 H LYS 86 1.235 -10.700 -8.067 681 HA LYS 86 HA LYS 86 -0.971 -9.160 -7.401 682 HB2 LYS 86 2HB LYS 86 0.132 -9.875 -10.106 683 HB3 LYS 86 1HB LYS 86 -1.235 -8.814 -9.881 684 HG2 LYS 86 2HG LYS 86 0.557 -7.344 -10.159 685 HG3 LYS 86 1HG LYS 86 0.367 -7.412 -8.410 686 HD2 LYS 86 2HD LYS 86 2.176 -9.064 -8.305 687 HD3 LYS 86 1HD LYS 86 2.351 -8.955 -10.057 688 HE2 LYS 86 2HE LYS 86 4.041 -7.602 -9.039 689 HE3 LYS 86 1HE LYS 86 2.857 -6.543 -9.798 690 HZ1 LYS 86 3HZ LYS 86 1.945 -5.983 -7.705 691 HZ2 LYS 86 1HZ LYS 86 3.609 -5.893 -7.551 692 HZ3 LYS 86 2HZ LYS 86 2.791 -7.225 -6.916 693 H VAL 87 H VAL 87 -2.986 -9.488 -7.269 694 HA VAL 87 HA VAL 87 -4.272 -11.891 -8.329 695 HB VAL 87 HB VAL 87 -5.369 -9.715 -6.499 696 HG11 VAL 87 1HG1 VAL 87 -7.133 -10.896 -7.695 697 HG12 VAL 87 2HG1 VAL 87 -7.161 -11.295 -5.977 698 HG13 VAL 87 3HG1 VAL 87 -6.494 -12.441 -7.137 699 HG21 VAL 87 3HG2 VAL 87 -3.547 -10.901 -5.403 700 HG22 VAL 87 1HG2 VAL 87 -4.311 -12.447 -5.775 701 HG23 VAL 87 2HG2 VAL 87 -5.091 -11.324 -4.661 702 H SER 88 H SER 88 -5.878 -11.722 -9.897 703 HA SER 88 HA SER 88 -5.756 -9.329 -11.490 704 HB2 SER 88 2HB SER 88 -7.185 -11.943 -12.022 705 HB3 SER 88 1HB SER 88 -6.815 -10.678 -13.185 706 HG SER 88 HG SER 88 -5.080 -11.757 -13.487 707 H GLU 89 H GLU 89 -8.088 -9.078 -12.737 708 HA GLU 89 HA GLU 89 -9.655 -7.532 -11.069 709 HB2 GLU 89 2HB GLU 89 -10.286 -8.811 -13.696 710 HB3 GLU 89 1HB GLU 89 -11.334 -7.642 -12.910 711 HG2 GLU 89 2HG GLU 89 -9.685 -5.954 -13.097 712 HG3 GLU 89 1HG GLU 89 -8.480 -7.110 -13.668 713 H GLN 90 H GLN 90 -10.164 -10.881 -12.111 714 HA GLN 90 HA GLN 90 -12.778 -11.110 -11.205 715 HB2 GLN 90 2HB GLN 90 -10.713 -13.302 -11.415 716 HB3 GLN 90 1HB GLN 90 -12.434 -13.563 -11.181 717 HG2 GLN 90 2HG GLN 90 -12.857 -12.385 -13.309 718 HG3 GLN 90 1HG GLN 90 -11.123 -12.267 -13.546 719 HE21 GLN 90 1HE2 GLN 90 -13.083 -13.540 -15.176 720 HE22 GLN 90 2HE2 GLN 90 -12.632 -15.201 -15.318 721 H GLY 91 H GLY 91 -9.774 -11.728 -9.446 722 HA2 GLY 91 2HA GLY 91 -10.971 -12.640 -7.067 723 HA3 GLY 91 1HA GLY 91 -9.374 -11.910 -7.198 724 H LEU 92 H LEU 92 -10.136 -9.412 -8.192 725 HA LEU 92 HA LEU 92 -10.798 -8.043 -5.805 726 HB2 LEU 92 2HB LEU 92 -9.425 -7.024 -7.559 727 HB3 LEU 92 1HB LEU 92 -10.794 -7.032 -8.654 728 HG LEU 92 HG LEU 92 -11.963 -5.469 -7.086 729 HD11 LEU 92 1HD1 LEU 92 -9.274 -5.331 -5.741 730 HD12 LEU 92 2HD1 LEU 92 -10.764 -5.966 -5.044 731 HD13 LEU 92 3HD1 LEU 92 -10.634 -4.251 -5.439 732 HD21 LEU 92 3HD2 LEU 92 -10.861 -4.640 -9.084 733 HD22 LEU 92 1HD2 LEU 92 -9.331 -4.525 -8.213 734 HD23 LEU 92 2HD2 LEU 92 -10.685 -3.494 -7.755 735 H ILE 93 H ILE 93 -12.651 -8.840 -8.694 736 HA ILE 93 HA ILE 93 -15.028 -7.508 -7.984 737 HB ILE 93 HB ILE 93 -14.630 -9.927 -9.782 738 HG12 ILE 93 2HG1 ILE 93 -14.969 -6.995 -10.461 739 HG13 ILE 93 1HG1 ILE 93 -13.443 -7.872 -10.468 740 HG21 ILE 93 1HG2 ILE 93 -16.974 -9.816 -9.057 741 HG22 ILE 93 2HG2 ILE 93 -16.828 -9.394 -10.762 742 HG23 ILE 93 3HG2 ILE 93 -17.058 -8.127 -9.560 743 HD11 ILE 93 3HD1 ILE 93 -14.277 -9.292 -12.270 744 HD12 ILE 93 1HD1 ILE 93 -14.326 -7.586 -12.714 745 HD13 ILE 93 2HD1 ILE 93 -15.808 -8.415 -12.247 746 H GLU 94 H GLU 94 -13.764 -10.638 -7.091 747 HA GLU 94 HA GLU 94 -16.132 -11.594 -5.871 748 HB2 GLU 94 2HB GLU 94 -13.248 -12.306 -5.302 749 HB3 GLU 94 1HB GLU 94 -14.642 -13.184 -4.690 750 HG2 GLU 94 2HG GLU 94 -13.808 -12.896 -7.571 751 HG3 GLU 94 1HG GLU 94 -13.691 -14.347 -6.579 752 H ILE 95 H ILE 95 -13.292 -9.896 -4.664 753 HA ILE 95 HA ILE 95 -14.062 -9.705 -1.966 754 HB ILE 95 HB ILE 95 -12.243 -7.879 -3.597 755 HG12 ILE 95 2HG1 ILE 95 -11.580 -10.104 -1.655 756 HG13 ILE 95 1HG1 ILE 95 -11.555 -10.267 -3.406 757 HG21 ILE 95 1HG2 ILE 95 -11.358 -7.057 -1.510 758 HG22 ILE 95 2HG2 ILE 95 -12.556 -7.991 -0.618 759 HG23 ILE 95 3HG2 ILE 95 -13.072 -6.677 -1.674 760 HD11 ILE 95 3HD1 ILE 95 -9.320 -9.956 -2.512 761 HD12 ILE 95 1HD1 ILE 95 -9.812 -8.437 -1.767 762 HD13 ILE 95 2HD1 ILE 95 -9.781 -8.585 -3.521 763 H LEU 96 H LEU 96 -14.698 -7.715 -4.745 764 HA LEU 96 HA LEU 96 -15.848 -5.499 -3.563 765 HB2 LEU 96 2HB LEU 96 -15.212 -5.668 -5.932 766 HB3 LEU 96 1HB LEU 96 -16.549 -6.761 -6.209 767 HG LEU 96 HG LEU 96 -18.119 -4.927 -5.616 768 HD11 LEU 96 1HD1 LEU 96 -16.658 -3.585 -4.212 769 HD12 LEU 96 2HD1 LEU 96 -17.271 -2.626 -5.556 770 HD13 LEU 96 3HD1 LEU 96 -15.620 -3.240 -5.594 771 HD21 LEU 96 3HD2 LEU 96 -17.818 -3.683 -7.707 772 HD22 LEU 96 1HD2 LEU 96 -17.583 -5.414 -7.943 773 HD23 LEU 96 2HD2 LEU 96 -16.190 -4.338 -7.861 774 H LYS 97 H LYS 97 -17.317 -8.640 -4.354 775 HA LYS 97 HA LYS 97 -20.040 -7.909 -3.941 776 HB2 LYS 97 2HB LYS 97 -18.967 -10.590 -3.131 777 HB3 LYS 97 1HB LYS 97 -20.563 -10.188 -3.715 778 HG2 LYS 97 2HG LYS 97 -19.548 -9.790 -5.951 779 HG3 LYS 97 1HG LYS 97 -18.026 -10.416 -5.294 780 HD2 LYS 97 2HD LYS 97 -19.554 -12.376 -4.467 781 HD3 LYS 97 1HD LYS 97 -20.607 -11.840 -5.770 782 HE2 LYS 97 2HE LYS 97 -17.765 -12.805 -5.965 783 HE3 LYS 97 1HE LYS 97 -19.212 -13.586 -6.567 784 HZ1 LYS 97 3HZ LYS 97 -17.798 -12.489 -8.169 785 HZ2 LYS 97 1HZ LYS 97 -18.241 -10.978 -7.584 786 HZ3 LYS 97 2HZ LYS 97 -19.416 -12.030 -8.285 787 H LYS 98 H LYS 98 -17.533 -9.158 -1.879 788 HA LYS 98 HA LYS 98 -18.981 -9.707 0.442 789 HB2 LYS 98 2HB LYS 98 -16.071 -8.879 0.260 790 HB3 LYS 98 1HB LYS 98 -16.817 -9.820 1.542 791 HG2 LYS 98 2HG LYS 98 -17.215 -11.660 -0.002 792 HG3 LYS 98 1HG LYS 98 -16.561 -10.715 -1.332 793 HD2 LYS 98 2HD LYS 98 -14.835 -12.219 -0.665 794 HD3 LYS 98 1HD LYS 98 -14.373 -10.639 -0.047 795 HE2 LYS 98 2HE LYS 98 -15.162 -11.251 2.173 796 HE3 LYS 98 1HE LYS 98 -15.746 -12.791 1.540 797 HZ1 LYS 98 3HZ LYS 98 -13.388 -13.317 0.958 798 HZ2 LYS 98 1HZ LYS 98 -13.665 -13.168 2.608 799 HZ3 LYS 98 2HZ LYS 98 -12.907 -11.930 1.812 800 H VAL 99 H VAL 99 -17.065 -6.863 -0.442 801 HA VAL 99 HA VAL 99 -17.776 -5.465 1.951 802 HB VAL 99 HB VAL 99 -16.617 -3.530 1.019 803 HG11 VAL 99 1HG1 VAL 99 -15.113 -6.131 0.695 804 HG12 VAL 99 2HG1 VAL 99 -15.305 -5.218 2.191 805 HG13 VAL 99 3HG1 VAL 99 -14.363 -4.544 0.858 806 HG21 VAL 99 3HG2 VAL 99 -17.217 -3.773 -1.322 807 HG22 VAL 99 1HG2 VAL 99 -16.245 -5.240 -1.432 808 HG23 VAL 99 2HG2 VAL 99 -15.464 -3.684 -1.141 809 H SER 100 H SER 100 -19.294 -5.708 -1.152 810 HA SER 100 HA SER 100 -20.734 -3.313 -0.999 811 HB2 SER 100 2HB SER 100 -21.303 -5.885 -2.467 812 HB3 SER 100 1HB SER 100 -22.238 -4.407 -2.665 813 HG SER 100 HG SER 100 -19.514 -4.875 -3.283 814 H GLN 101 H GLN 101 -21.175 -6.408 0.490 815 HA GLN 101 HA GLN 101 -23.767 -5.465 1.460 816 HB2 GLN 101 2HB GLN 101 -22.627 -8.257 1.514 817 HB3 GLN 101 1HB GLN 101 -24.163 -7.793 2.235 818 HG2 GLN 101 2HG GLN 101 -23.425 -7.681 -0.672 819 HG3 GLN 101 1HG GLN 101 -24.557 -8.804 0.079 820 HE21 GLN 101 1HE2 GLN 101 -25.027 -6.966 -2.066 821 HE22 GLN 101 2HE2 GLN 101 -26.256 -5.855 -1.536 822 H GLN 102 H GLN 102 -20.786 -6.937 2.613 823 HA GLN 102 HA GLN 102 -21.179 -5.512 5.111 824 HB2 GLN 102 2HB GLN 102 -20.492 -8.458 4.854 825 HB3 GLN 102 1HB GLN 102 -20.337 -7.541 6.349 826 HG2 GLN 102 2HG GLN 102 -22.707 -7.253 6.469 827 HG3 GLN 102 1HG GLN 102 -22.917 -7.914 4.847 828 HE21 GLN 102 1HE2 GLN 102 -24.289 -9.492 5.611 829 HE22 GLN 102 2HE2 GLN 102 -23.735 -10.857 6.504 830 H THR 103 H THR 103 -18.759 -7.924 4.566 831 HA THR 103 HA THR 103 -16.688 -6.479 3.381 832 HB THR 103 HB THR 103 -16.427 -6.775 6.423 833 HG1 THR 103 1HG THR 103 -17.357 -4.736 4.952 834 HG21 THR 103 3HG2 THR 103 -14.252 -5.651 6.137 835 HG22 THR 103 1HG2 THR 103 -14.488 -5.655 4.390 836 HG23 THR 103 2HG2 THR 103 -14.316 -7.180 5.261 837 H GLU 104 H GLU 104 -17.575 -8.788 5.870 838 HA GLU 104 HA GLU 104 -16.518 -11.022 4.428 839 HB2 GLU 104 2HB GLU 104 -15.173 -11.749 6.341 840 HB3 GLU 104 1HB GLU 104 -14.550 -10.226 5.719 841 HG2 GLU 104 2HG GLU 104 -15.657 -9.020 7.513 842 HG3 GLU 104 1HG GLU 104 -16.346 -10.523 8.120 843 H LYS 105 H LYS 105 -17.031 -12.976 6.123 844 HA LYS 105 HA LYS 105 -18.566 -14.160 7.291 845 HB2 LYS 105 2HB LYS 105 -18.955 -11.475 8.604 846 HB3 LYS 105 1HB LYS 105 -19.782 -12.925 9.154 847 HG2 LYS 105 2HG LYS 105 -17.724 -13.991 9.677 848 HG3 LYS 105 1HG LYS 105 -16.796 -12.699 8.922 849 HD2 LYS 105 2HD LYS 105 -17.441 -11.160 10.635 850 HD3 LYS 105 1HD LYS 105 -18.594 -12.315 11.306 851 HE2 LYS 105 2HE LYS 105 -16.445 -12.135 12.578 852 HE3 LYS 105 1HE LYS 105 -16.842 -13.762 12.038 853 HZ1 LYS 105 3HZ LYS 105 -15.248 -13.617 10.323 854 HZ2 LYS 105 1HZ LYS 105 -14.488 -13.130 11.723 855 HZ3 LYS 105 2HZ LYS 105 -14.935 -11.989 10.550 856 H THR 106 H THR 106 -19.453 -12.436 4.887 857 HA THR 106 HA THR 106 -22.257 -12.098 5.192 858 HB THR 106 HB THR 106 -20.675 -12.311 2.707 859 HG1 THR 106 1HG THR 106 -20.547 -10.550 4.808 860 HG21 THR 106 3HG2 THR 106 -23.081 -10.624 3.454 861 HG22 THR 106 1HG2 THR 106 -23.120 -12.073 2.449 862 HG23 THR 106 2HG2 THR 106 -22.295 -10.628 1.875 863 H THR 107 H THR 107 -23.543 -13.861 5.394 864 HA THR 107 HA THR 107 -22.763 -16.410 4.488 865 HB THR 107 HB THR 107 -25.431 -15.487 5.565 866 HG1 THR 107 1HG THR 107 -23.049 -16.479 6.761 867 HG21 THR 107 3HG2 THR 107 -25.689 -17.862 6.207 868 HG22 THR 107 1HG2 THR 107 -24.156 -18.235 5.421 869 HG23 THR 107 2HG2 THR 107 -25.528 -17.688 4.459 870 H THR 108 H THR 108 -22.489 -16.274 2.447 871 HA THR 108 HA THR 108 -24.588 -16.841 0.628 872 HB THR 108 HB THR 108 -22.891 -14.340 0.103 873 HG1 THR 108 1HG THR 108 -25.187 -14.610 1.447 874 HG21 THR 108 3HG2 THR 108 -25.188 -15.526 -1.483 875 HG22 THR 108 1HG2 THR 108 -23.485 -15.599 -1.935 876 HG23 THR 108 2HG2 THR 108 -24.317 -14.046 -1.881 877 H VAL 109 H VAL 109 -21.301 -15.942 1.422 878 HA VAL 109 HA VAL 109 -20.185 -18.015 -0.301 879 HB VAL 109 HB VAL 109 -18.774 -16.170 1.666 880 HG11 VAL 109 1HG1 VAL 109 -17.453 -18.081 0.997 881 HG12 VAL 109 2HG1 VAL 109 -16.772 -16.603 0.319 882 HG13 VAL 109 3HG1 VAL 109 -17.704 -17.690 -0.704 883 HG21 VAL 109 3HG2 VAL 109 -19.950 -14.773 0.084 884 HG22 VAL 109 1HG2 VAL 109 -19.255 -15.674 -1.263 885 HG23 VAL 109 2HG2 VAL 109 -18.207 -14.701 -0.226 886 H LYS 110 H LYS 110 -19.017 -19.778 0.853 887 HA LYS 110 HA LYS 110 -20.448 -20.348 3.266 888 HB2 LYS 110 2HB LYS 110 -20.295 -22.019 1.434 889 HB3 LYS 110 1HB LYS 110 -18.566 -22.111 1.679 890 HG2 LYS 110 2HG LYS 110 -18.854 -23.151 3.813 891 HG3 LYS 110 1HG LYS 110 -20.599 -22.874 3.765 892 HD2 LYS 110 2HD LYS 110 -20.776 -24.311 1.785 893 HD3 LYS 110 1HD LYS 110 -19.041 -24.604 1.838 894 HE2 LYS 110 2HE LYS 110 -20.989 -25.329 4.025 895 HE3 LYS 110 1HE LYS 110 -20.409 -26.447 2.794 896 HZ1 LYS 110 3HZ LYS 110 -18.146 -26.093 3.644 897 HZ2 LYS 110 1HZ LYS 110 -19.179 -26.689 4.838 898 HZ3 LYS 110 2HZ LYS 110 -18.731 -25.067 4.824 899 H PHE 111 H PHE 111 -19.516 -18.929 4.673 900 HA PHE 111 HA PHE 111 -16.704 -19.052 5.307 901 HB2 PHE 111 2HB PHE 111 -18.976 -17.533 6.581 902 HB3 PHE 111 1HB PHE 111 -17.333 -17.503 7.207 903 HD1 PHE 111 1HD PHE 111 -15.529 -16.536 5.852 904 HD2 PHE 111 2HD PHE 111 -19.602 -16.266 4.689 905 HE1 PHE 111 1HE PHE 111 -14.965 -14.717 4.316 906 HE2 PHE 111 2HE PHE 111 -19.044 -14.438 3.149 907 HZ PHE 111 HZ PHE 111 -16.729 -13.658 2.962 908 H ASN 112 H ASN 112 -15.826 -20.495 6.499 909 HA ASN 112 HA ASN 112 -17.056 -21.453 8.857 910 HB2 ASN 112 2HB ASN 112 -16.709 -23.879 8.171 911 HB3 ASN 112 1HB ASN 112 -18.096 -23.060 7.484 912 HD21 ASN 112 1HD2 ASN 112 -14.767 -22.756 6.329 913 HD22 ASN 112 2HD2 ASN 112 -15.041 -23.528 4.807 Start of MODEL 9 1 H1 GLY 0 1HT GLY 0 44.869 10.175 26.924 2 H2 GLY 0 2HT GLY 0 43.318 9.552 26.638 3 H3 GLY 0 3HT GLY 0 44.679 8.537 26.587 4 HA2 GLY 0 1HA GLY 0 43.417 8.331 28.675 5 HA3 GLY 0 2HA GLY 0 45.090 8.840 28.898 6 H SER 1 H SER 1 41.731 9.906 28.832 7 HA SER 1 HA SER 1 42.289 12.020 30.648 8 HB2 SER 1 2HB SER 1 42.942 13.016 28.431 9 HB3 SER 1 1HB SER 1 41.318 12.651 27.853 10 HG SER 1 HG SER 1 42.224 14.699 29.369 11 H ALA 2 H ALA 2 40.047 13.287 30.706 12 HA ALA 2 HA ALA 2 38.054 11.194 31.013 13 HB1 ALA 2 1HB ALA 2 38.453 12.712 32.899 14 HB2 ALA 2 2HB ALA 2 36.797 12.802 32.305 15 HB3 ALA 2 3HB ALA 2 37.940 14.075 31.902 16 H ASP 3 H ASP 3 38.145 14.502 29.815 17 HA ASP 3 HA ASP 3 35.664 14.298 28.461 18 HB2 ASP 3 2HB ASP 3 37.807 16.400 28.478 19 HB3 ASP 3 1HB ASP 3 36.307 16.553 27.578 20 H GLU 4 H GLU 4 39.021 14.304 27.452 21 HA GLU 4 HA GLU 4 38.639 14.545 24.706 22 HB2 GLU 4 2HB GLU 4 40.836 14.700 25.961 23 HB3 GLU 4 1HB GLU 4 40.814 12.946 26.009 24 HG2 GLU 4 2HG GLU 4 40.919 12.810 23.624 25 HG3 GLU 4 1HG GLU 4 40.807 14.565 23.488 26 H GLU 5 H GLU 5 38.834 11.603 26.688 27 HA GLU 5 HA GLU 5 38.676 9.787 24.536 28 HB2 GLU 5 2HB GLU 5 37.666 9.323 27.340 29 HB3 GLU 5 1HB GLU 5 38.078 8.095 26.160 30 HG2 GLU 5 2HG GLU 5 39.941 9.964 27.587 31 HG3 GLU 5 1HG GLU 5 39.790 8.226 27.789 32 H LEU 6 H LEU 6 36.283 11.335 26.553 33 HA LEU 6 HA LEU 6 34.045 9.874 25.708 34 HB2 LEU 6 2HB LEU 6 34.098 11.199 27.766 35 HB3 LEU 6 1HB LEU 6 34.221 12.668 26.829 36 HG LEU 6 HG LEU 6 31.957 12.263 25.918 37 HD11 LEU 6 1HD1 LEU 6 31.877 9.842 26.078 38 HD12 LEU 6 2HD1 LEU 6 30.529 10.560 26.962 39 HD13 LEU 6 3HD1 LEU 6 31.921 9.936 27.839 40 HD21 LEU 6 3HD2 LEU 6 32.136 12.267 28.929 41 HD22 LEU 6 1HD2 LEU 6 30.741 12.778 27.981 42 HD23 LEU 6 2HD2 LEU 6 32.257 13.674 27.883 43 H GLU 7 H GLU 7 35.401 12.981 24.577 44 HA GLU 7 HA GLU 7 33.327 13.141 22.667 45 HB2 GLU 7 2HB GLU 7 34.521 15.067 21.722 46 HB3 GLU 7 1HB GLU 7 34.069 15.281 23.416 47 HG2 GLU 7 2HG GLU 7 36.170 16.114 23.505 48 HG3 GLU 7 1HG GLU 7 36.637 14.412 23.586 49 H ALA 8 H ALA 8 36.607 12.028 22.589 50 HA ALA 8 HA ALA 8 36.883 11.597 19.839 51 HB1 ALA 8 1HB ALA 8 37.858 9.818 22.086 52 HB2 ALA 8 2HB ALA 8 38.708 11.231 21.476 53 HB3 ALA 8 3HB ALA 8 38.471 9.827 20.432 54 H LEU 9 H LEU 9 35.502 9.583 22.373 55 HA LEU 9 HA LEU 9 34.675 7.415 20.846 56 HB2 LEU 9 2HB LEU 9 34.688 7.428 23.284 57 HB3 LEU 9 1HB LEU 9 33.405 8.621 23.294 58 HG LEU 9 HG LEU 9 31.950 6.944 22.147 59 HD11 LEU 9 1HD1 LEU 9 32.583 4.594 22.305 60 HD12 LEU 9 2HD1 LEU 9 34.199 5.074 22.826 61 HD13 LEU 9 3HD1 LEU 9 33.625 5.504 21.214 62 HD21 LEU 9 3HD2 LEU 9 33.030 6.205 24.854 63 HD22 LEU 9 1HD2 LEU 9 31.486 5.686 24.171 64 HD23 LEU 9 2HD2 LEU 9 31.765 7.396 24.508 65 H ARG 10 H ARG 10 32.987 10.418 21.672 66 HA ARG 10 HA ARG 10 30.609 9.744 20.339 67 HB2 ARG 10 2HB ARG 10 30.667 11.562 21.994 68 HB3 ARG 10 1HB ARG 10 31.666 12.521 20.904 69 HG2 ARG 10 2HG ARG 10 29.875 12.505 19.243 70 HG3 ARG 10 1HG ARG 10 28.871 11.570 20.346 71 HD2 ARG 10 2HD ARG 10 28.885 13.417 21.929 72 HD3 ARG 10 1HD ARG 10 29.927 14.348 20.843 73 HE ARG 10 HE ARG 10 27.623 13.437 19.513 74 HH11 ARG 10 1HH1 ARG 10 28.639 15.924 21.830 75 HH12 ARG 10 2HH1 ARG 10 27.456 17.056 21.379 76 HH21 ARG 10 1HH2 ARG 10 25.972 14.967 18.892 77 HH22 ARG 10 2HH2 ARG 10 25.888 16.485 19.643 78 H ARG 11 H ARG 11 33.445 11.569 19.249 79 HA ARG 11 HA ARG 11 32.563 12.273 16.668 80 HB2 ARG 11 2HB ARG 11 35.354 11.439 17.499 81 HB3 ARG 11 1HB ARG 11 34.945 12.253 16.007 82 HG2 ARG 11 2HG ARG 11 34.381 14.268 17.204 83 HG3 ARG 11 1HG ARG 11 34.598 13.440 18.757 84 HD2 ARG 11 2HD ARG 11 36.890 13.000 18.235 85 HD3 ARG 11 1HD ARG 11 36.740 13.807 16.660 86 HE ARG 11 HE ARG 11 36.348 15.244 19.201 87 HH11 ARG 11 1HH1 ARG 11 38.180 14.857 16.166 88 HH12 ARG 11 2HH1 ARG 11 39.182 16.196 16.491 89 HH21 ARG 11 1HH2 ARG 11 37.729 16.946 19.606 90 HH22 ARG 11 2HH2 ARG 11 38.955 17.435 18.489 91 H GLN 12 H GLN 12 34.257 9.432 17.814 92 HA GLN 12 HA GLN 12 34.386 8.101 15.351 93 HB2 GLN 12 2HB GLN 12 35.860 7.647 17.251 94 HB3 GLN 12 1HB GLN 12 34.503 7.018 18.162 95 HG2 GLN 12 2HG GLN 12 34.323 5.132 16.741 96 HG3 GLN 12 1HG GLN 12 35.480 5.818 15.595 97 HE21 GLN 12 1HE2 GLN 12 37.622 5.814 16.084 98 HE22 GLN 12 2HE2 GLN 12 38.311 4.875 17.344 99 H ARG 13 H ARG 13 32.030 7.854 18.027 100 HA ARG 13 HA ARG 13 30.430 5.927 16.750 101 HB2 ARG 13 2HB ARG 13 30.124 7.699 19.071 102 HB3 ARG 13 1HB ARG 13 28.618 7.319 18.262 103 HG2 ARG 13 2HG ARG 13 29.091 5.821 20.163 104 HG3 ARG 13 1HG ARG 13 28.947 4.954 18.644 105 HD2 ARG 13 2HD ARG 13 31.605 5.749 19.812 106 HD3 ARG 13 1HD ARG 13 30.798 4.252 20.260 107 HE ARG 13 HE ARG 13 30.986 4.419 17.458 108 HH11 ARG 13 1HH1 ARG 13 33.014 3.686 20.304 109 HH12 ARG 13 2HH1 ARG 13 34.191 2.863 19.379 110 HH21 ARG 13 1HH2 ARG 13 32.624 3.196 16.260 111 HH22 ARG 13 2HH2 ARG 13 33.958 2.579 17.126 112 H LEU 14 H LEU 14 30.417 9.454 16.521 113 HA LEU 14 HA LEU 14 28.073 9.560 14.937 114 HB2 LEU 14 2HB LEU 14 28.932 11.494 16.190 115 HB3 LEU 14 1HB LEU 14 30.357 11.528 15.177 116 HG LEU 14 HG LEU 14 28.966 12.105 13.232 117 HD11 LEU 14 1HD1 LEU 14 26.906 11.024 13.891 118 HD12 LEU 14 2HD1 LEU 14 26.620 12.732 13.548 119 HD13 LEU 14 3HD1 LEU 14 26.698 12.167 15.219 120 HD21 LEU 14 3HD2 LEU 14 28.550 13.902 15.617 121 HD22 LEU 14 1HD2 LEU 14 28.401 14.381 13.928 122 HD23 LEU 14 2HD2 LEU 14 29.968 13.881 14.570 123 H ALA 15 H ALA 15 31.423 9.034 14.298 124 HA ALA 15 HA ALA 15 31.396 9.485 11.513 125 HB1 ALA 15 1HB ALA 15 33.559 8.321 11.541 126 HB2 ALA 15 2HB ALA 15 33.254 7.814 13.198 127 HB3 ALA 15 3HB ALA 15 33.452 9.527 12.822 128 H GLU 16 H GLU 16 30.652 6.849 13.559 129 HA GLU 16 HA GLU 16 30.460 4.903 11.492 130 HB2 GLU 16 2HB GLU 16 29.633 4.927 14.376 131 HB3 GLU 16 1HB GLU 16 29.429 3.535 13.319 132 HG2 GLU 16 2HG GLU 16 32.043 4.882 13.839 133 HG3 GLU 16 1HG GLU 16 31.487 3.483 14.742 134 H LEU 17 H LEU 17 28.246 6.759 13.491 135 HA LEU 17 HA LEU 17 25.865 5.602 12.549 136 HB2 LEU 17 2HB LEU 17 26.469 7.060 14.669 137 HB3 LEU 17 1HB LEU 17 25.997 8.389 13.638 138 HG LEU 17 HG LEU 17 24.194 7.725 15.147 139 HD11 LEU 17 1HD1 LEU 17 22.396 7.445 13.564 140 HD12 LEU 17 2HD1 LEU 17 23.559 7.047 12.297 141 HD13 LEU 17 3HD1 LEU 17 23.552 8.659 13.020 142 HD21 LEU 17 3HD2 LEU 17 24.771 5.383 15.413 143 HD22 LEU 17 1HD2 LEU 17 24.286 5.055 13.752 144 HD23 LEU 17 2HD2 LEU 17 23.087 5.571 14.932 145 H GLN 18 H GLN 18 27.386 8.767 11.825 146 HA GLN 18 HA GLN 18 27.351 10.163 10.077 147 HB2 GLN 18 2HB GLN 18 26.588 7.675 8.542 148 HB3 GLN 18 1HB GLN 18 27.120 9.186 7.815 149 HG2 GLN 18 2HG GLN 18 29.267 8.990 8.836 150 HG3 GLN 18 1HG GLN 18 28.751 7.581 9.757 151 HE21 GLN 18 1HE2 GLN 18 30.329 6.338 8.940 152 HE22 GLN 18 2HE2 GLN 18 30.345 5.734 7.318 153 H ALA 19 H ALA 19 24.811 9.704 11.577 154 HA ALA 19 HA ALA 19 23.104 11.146 9.765 155 HB1 ALA 19 1HB ALA 19 22.189 8.552 11.023 156 HB2 ALA 19 2HB ALA 19 22.500 8.803 9.306 157 HB3 ALA 19 3HB ALA 19 21.183 9.667 10.099 158 H LYS 20 H LYS 20 21.220 11.965 10.898 159 HA LYS 20 HA LYS 20 21.484 12.024 13.769 160 HB2 LYS 20 2HB LYS 20 20.937 14.539 13.660 161 HB3 LYS 20 1HB LYS 20 22.586 14.055 13.283 162 HG2 LYS 20 2HG LYS 20 22.040 14.232 10.879 163 HG3 LYS 20 1HG LYS 20 20.421 14.789 11.318 164 HD2 LYS 20 2HD LYS 20 21.334 16.740 12.397 165 HD3 LYS 20 1HD LYS 20 22.980 16.154 12.154 166 HE2 LYS 20 2HE LYS 20 21.032 16.904 9.969 167 HE3 LYS 20 1HE LYS 20 22.369 17.899 10.535 168 HZ1 LYS 20 3HZ LYS 20 22.615 15.240 9.210 169 HZ2 LYS 20 1HZ LYS 20 23.910 16.144 9.804 170 HZ3 LYS 20 2HZ LYS 20 22.970 16.722 8.531 171 H HIS 21 H HIS 21 19.850 10.485 13.461 172 HA HIS 21 HA HIS 21 17.283 11.485 12.459 173 HB2 HIS 21 2HB HIS 21 18.507 9.233 11.807 174 HB3 HIS 21 1HB HIS 21 17.778 8.657 13.299 175 HD1 HIS 21 1HD HIS 21 17.162 8.932 9.786 176 HD2 HIS 21 2HD HIS 21 14.776 9.014 13.195 177 HE1 HIS 21 1HE HIS 21 14.847 8.446 8.993 178 HE2 HIS 21 2HE HIS 21 13.491 8.210 11.062 179 H GLY 22 H GLY 22 18.979 11.240 15.269 180 HA2 GLY 22 2HA GLY 22 17.032 10.327 17.110 181 HA3 GLY 22 1HA GLY 22 18.423 11.335 17.501 182 H ASP 23 H ASP 23 17.880 13.428 15.791 183 HA ASP 23 HA ASP 23 15.908 14.885 17.265 184 HB2 ASP 23 2HB ASP 23 17.876 16.063 16.489 185 HB3 ASP 23 1HB ASP 23 17.545 15.608 14.820 186 HA PRO 24 HA PRO 24 12.633 13.399 14.614 187 HB2 PRO 24 2HB PRO 24 11.016 15.462 15.925 188 HB3 PRO 24 1HB PRO 24 10.781 13.716 15.899 189 HG2 PRO 24 2HG PRO 24 11.606 15.062 18.100 190 HG3 PRO 24 1HG PRO 24 12.070 13.389 17.762 191 HD2 PRO 24 2HD PRO 24 13.663 15.881 17.488 192 HD3 PRO 24 1HD PRO 24 14.167 14.232 17.910 193 H GLY 25 H GLY 25 12.677 16.922 15.330 194 HA2 GLY 25 2HA GLY 25 12.202 18.739 14.031 195 HA3 GLY 25 1HA GLY 25 13.153 17.903 12.807 196 H ASP 26 H ASP 26 12.020 18.161 11.033 197 HA ASP 26 HA ASP 26 9.189 17.363 11.040 198 HB2 ASP 26 2HB ASP 26 8.943 18.411 8.875 199 HB3 ASP 26 1HB ASP 26 9.801 19.545 9.902 200 H ALA 27 H ALA 27 12.214 16.179 10.571 201 HA ALA 27 HA ALA 27 11.942 14.575 8.261 202 HB1 ALA 27 1HB ALA 27 14.004 13.498 9.000 203 HB2 ALA 27 2HB ALA 27 13.840 14.260 10.583 204 HB3 ALA 27 3HB ALA 27 14.120 15.252 9.151 205 H ALA 28 H ALA 28 11.177 14.144 11.592 206 HA ALA 28 HA ALA 28 10.860 11.371 11.765 207 HB1 ALA 28 1HB ALA 28 9.383 11.842 13.657 208 HB2 ALA 28 2HB ALA 28 9.278 13.528 13.152 209 HB3 ALA 28 3HB ALA 28 10.819 12.867 13.695 210 H GLN 29 H GLN 29 8.389 13.839 11.104 211 HA GLN 29 HA GLN 29 6.460 11.870 10.458 212 HB2 GLN 29 2HB GLN 29 5.055 13.849 9.631 213 HB3 GLN 29 1HB GLN 29 5.470 13.830 11.333 214 HG2 GLN 29 2HG GLN 29 7.305 15.292 9.546 215 HG3 GLN 29 1HG GLN 29 5.702 15.982 9.766 216 HE21 GLN 29 1HE2 GLN 29 7.062 14.180 12.469 217 HE22 GLN 29 2HE2 GLN 29 7.450 15.590 13.378 218 H GLN 30 H GLN 30 8.809 13.632 8.710 219 HA GLN 30 HA GLN 30 7.844 13.246 6.092 220 HB2 GLN 30 2HB GLN 30 9.667 14.823 6.678 221 HB3 GLN 30 1HB GLN 30 10.679 13.458 7.110 222 HG2 GLN 30 2HG GLN 30 11.321 14.363 4.969 223 HG3 GLN 30 1HG GLN 30 10.708 12.727 4.804 224 HE21 GLN 30 1HE2 GLN 30 10.944 14.855 2.837 225 HE22 GLN 30 2HE2 GLN 30 9.363 15.107 2.211 226 H GLU 31 H GLU 31 9.773 11.254 8.261 227 HA GLU 31 HA GLU 31 10.198 9.159 6.369 228 HB2 GLU 31 2HB GLU 31 11.740 9.380 8.233 229 HB3 GLU 31 1HB GLU 31 10.427 9.223 9.385 230 HG2 GLU 31 2HG GLU 31 10.059 6.937 8.722 231 HG3 GLU 31 1HG GLU 31 11.285 7.073 7.471 232 H ALA 32 H ALA 32 7.964 9.685 9.043 233 HA ALA 32 HA ALA 32 6.576 7.284 8.907 234 HB1 ALA 32 1HB ALA 32 6.339 8.903 10.738 235 HB2 ALA 32 2HB ALA 32 4.775 8.418 10.082 236 HB3 ALA 32 3HB ALA 32 5.462 9.987 9.655 237 H LYS 33 H LYS 33 5.943 10.322 7.212 238 HA LYS 33 HA LYS 33 3.644 9.533 5.807 239 HB2 LYS 33 2HB LYS 33 4.498 11.886 6.036 240 HB3 LYS 33 1HB LYS 33 5.774 11.477 4.908 241 HG2 LYS 33 2HG LYS 33 4.085 12.641 3.684 242 HG3 LYS 33 1HG LYS 33 4.061 10.935 3.218 243 HD2 LYS 33 2HD LYS 33 1.781 11.764 3.485 244 HD3 LYS 33 1HD LYS 33 2.141 10.550 4.709 245 HE2 LYS 33 2HE LYS 33 2.560 12.354 6.344 246 HE3 LYS 33 1HE LYS 33 2.200 13.545 5.097 247 HZ1 LYS 33 3HZ LYS 33 0.320 11.499 6.114 248 HZ2 LYS 33 1HZ LYS 33 -0.060 12.686 4.990 249 HZ3 LYS 33 2HZ LYS 33 0.308 13.106 6.583 250 H HIS 34 H HIS 34 7.070 9.310 4.995 251 HA HIS 34 HA HIS 34 6.766 8.314 2.369 252 HB2 HIS 34 2HB HIS 34 8.878 9.192 3.406 253 HB3 HIS 34 1HB HIS 34 9.043 7.674 4.268 254 HD1 HIS 34 1HD HIS 34 9.490 5.472 2.661 255 HD2 HIS 34 2HD HIS 34 9.785 9.204 0.821 256 HE1 HIS 34 1HE HIS 34 10.697 5.087 0.532 257 HE2 HIS 34 2HE HIS 34 11.128 7.364 -0.384 258 H ARG 35 H ARG 35 7.045 6.757 5.520 259 HA ARG 35 HA ARG 35 7.049 4.129 4.585 260 HB2 ARG 35 2HB ARG 35 6.245 5.189 7.281 261 HB3 ARG 35 1HB ARG 35 6.388 3.475 6.905 262 HG2 ARG 35 2HG ARG 35 8.742 3.872 6.257 263 HG3 ARG 35 1HG ARG 35 8.571 5.535 6.814 264 HD2 ARG 35 2HD ARG 35 8.000 4.687 9.057 265 HD3 ARG 35 1HD ARG 35 8.264 3.042 8.476 266 HE ARG 35 HE ARG 35 10.373 5.070 8.372 267 HH11 ARG 35 1HH1 ARG 35 9.322 1.814 9.345 268 HH12 ARG 35 2HH1 ARG 35 10.849 1.361 9.923 269 HH21 ARG 35 1HH2 ARG 35 12.441 4.460 9.189 270 HH22 ARG 35 2HH2 ARG 35 12.689 2.896 9.814 271 H GLU 36 H GLU 36 4.427 6.325 5.192 272 HA GLU 36 HA GLU 36 2.345 4.434 5.145 273 HB2 GLU 36 2HB GLU 36 2.403 7.360 4.433 274 HB3 GLU 36 1HB GLU 36 0.925 6.404 4.430 275 HG2 GLU 36 2HG GLU 36 2.739 6.758 6.757 276 HG3 GLU 36 1HG GLU 36 1.274 7.723 6.491 277 H ALA 37 H ALA 37 3.793 6.495 2.706 278 HA ALA 37 HA ALA 37 2.229 5.696 0.529 279 HB1 ALA 37 1HB ALA 37 3.553 7.754 0.549 280 HB2 ALA 37 2HB ALA 37 3.919 6.757 -0.862 281 HB3 ALA 37 3HB ALA 37 5.035 6.798 0.501 282 H GLU 38 H GLU 38 5.491 4.651 1.512 283 HA GLU 38 HA GLU 38 5.788 2.873 -0.635 284 HB2 GLU 38 2HB GLU 38 7.740 1.967 0.543 285 HB3 GLU 38 1HB GLU 38 7.740 3.725 0.551 286 HG2 GLU 38 2HG GLU 38 6.841 3.682 2.796 287 HG3 GLU 38 1HG GLU 38 6.948 1.924 2.822 288 H MET 39 H MET 39 4.632 2.295 2.654 289 HA MET 39 HA MET 39 4.534 -0.527 2.469 290 HB2 MET 39 2HB MET 39 4.374 0.620 4.630 291 HB3 MET 39 1HB MET 39 2.862 1.356 4.142 292 HG2 MET 39 2HG MET 39 2.142 -0.335 5.528 293 HG3 MET 39 1HG MET 39 2.004 -1.080 3.949 294 HE1 MET 39 3HE MET 39 3.729 -2.943 3.026 295 HE2 MET 39 1HE MET 39 4.992 -3.686 4.014 296 HE3 MET 39 2HE MET 39 5.216 -2.061 3.413 297 H ARG 40 H ARG 40 2.103 1.952 1.969 298 HA ARG 40 HA ARG 40 -0.064 0.294 1.329 299 HB2 ARG 40 2HB ARG 40 -0.199 2.657 1.992 300 HB3 ARG 40 1HB ARG 40 0.550 3.118 0.476 301 HG2 ARG 40 2HG ARG 40 -1.397 2.180 -0.717 302 HG3 ARG 40 1HG ARG 40 -2.158 1.869 0.849 303 HD2 ARG 40 2HD ARG 40 -2.930 3.983 -0.073 304 HD3 ARG 40 1HD ARG 40 -1.982 4.257 1.395 305 HE ARG 40 HE ARG 40 -0.615 4.397 -1.164 306 HH11 ARG 40 1HH1 ARG 40 -1.964 6.264 1.547 307 HH12 ARG 40 2HH1 ARG 40 -1.086 7.674 1.148 308 HH21 ARG 40 1HH2 ARG 40 0.547 6.281 -1.624 309 HH22 ARG 40 2HH2 ARG 40 0.364 7.704 -0.699 310 H ASN 41 H ASN 41 2.251 2.047 -0.730 311 HA ASN 41 HA ASN 41 1.195 1.263 -3.199 312 HB2 ASN 41 2HB ASN 41 2.715 3.153 -3.032 313 HB3 ASN 41 1HB ASN 41 4.003 2.106 -2.464 314 HD21 ASN 41 1HD2 ASN 41 2.174 3.170 -5.211 315 HD22 ASN 41 2HD2 ASN 41 3.195 2.454 -6.410 316 H SER 42 H SER 42 3.861 -0.158 -1.293 317 HA SER 42 HA SER 42 4.668 -2.032 -3.150 318 HB2 SER 42 2HB SER 42 4.749 -2.174 -0.139 319 HB3 SER 42 1HB SER 42 5.645 -3.228 -1.231 320 HG SER 42 HG SER 42 5.879 -0.441 -0.868 321 H ILE 43 H ILE 43 2.243 -2.391 -0.544 322 HA ILE 43 HA ILE 43 1.827 -5.074 -1.333 323 HB ILE 43 HB ILE 43 -0.103 -5.140 0.208 324 HG12 ILE 43 2HG1 ILE 43 0.575 -2.230 0.779 325 HG13 ILE 43 1HG1 ILE 43 -0.895 -2.815 0.008 326 HG21 ILE 43 1HG2 ILE 43 2.084 -5.702 1.026 327 HG22 ILE 43 2HG2 ILE 43 1.185 -4.851 2.282 328 HG23 ILE 43 3HG2 ILE 43 2.429 -4.006 1.363 329 HD11 ILE 43 3HD1 ILE 43 -1.333 -2.258 2.312 330 HD12 ILE 43 1HD1 ILE 43 -0.022 -3.314 2.843 331 HD13 ILE 43 2HD1 ILE 43 -1.449 -4.009 2.089 332 H LEU 44 H LEU 44 0.002 -2.100 -1.965 333 HA LEU 44 HA LEU 44 -2.099 -3.481 -3.262 334 HB2 LEU 44 2HB LEU 44 -1.192 -0.668 -3.431 335 HB3 LEU 44 1HB LEU 44 -2.678 -1.215 -4.196 336 HG LEU 44 HG LEU 44 -2.083 -1.105 -1.222 337 HD11 LEU 44 1HD1 LEU 44 -2.520 1.062 -2.230 338 HD12 LEU 44 2HD1 LEU 44 -3.838 0.576 -1.165 339 HD13 LEU 44 3HD1 LEU 44 -4.024 0.449 -2.915 340 HD21 LEU 44 3HD2 LEU 44 -4.448 -1.764 -0.920 341 HD22 LEU 44 1HD2 LEU 44 -3.491 -3.035 -1.690 342 HD23 LEU 44 2HD2 LEU 44 -4.574 -2.030 -2.656 343 H ALA 45 H ALA 45 1.009 -2.364 -4.419 344 HA ALA 45 HA ALA 45 0.231 -2.646 -7.170 345 HB1 ALA 45 1HB ALA 45 1.939 -1.012 -6.524 346 HB2 ALA 45 2HB ALA 45 2.529 -2.155 -7.730 347 HB3 ALA 45 3HB ALA 45 3.008 -2.331 -6.040 348 H GLN 46 H GLN 46 1.780 -4.698 -4.785 349 HA GLN 46 HA GLN 46 2.428 -6.621 -6.858 350 HB2 GLN 46 2HB GLN 46 2.766 -6.852 -3.864 351 HB3 GLN 46 1HB GLN 46 3.314 -8.034 -5.037 352 HG2 GLN 46 2HG GLN 46 4.325 -5.207 -4.743 353 HG3 GLN 46 1HG GLN 46 5.155 -6.665 -4.230 354 HE21 GLN 46 1HE2 GLN 46 6.931 -6.395 -5.481 355 HE22 GLN 46 2HE2 GLN 46 6.939 -6.440 -7.207 356 H VAL 47 H VAL 47 0.205 -6.330 -4.147 357 HA VAL 47 HA VAL 47 -0.971 -8.927 -4.426 358 HB VAL 47 HB VAL 47 -1.982 -6.437 -3.019 359 HG11 VAL 47 1HG1 VAL 47 -3.419 -7.950 -1.758 360 HG12 VAL 47 2HG1 VAL 47 -2.942 -9.269 -2.843 361 HG13 VAL 47 3HG1 VAL 47 -3.818 -7.875 -3.473 362 HG21 VAL 47 3HG2 VAL 47 -0.468 -8.831 -1.975 363 HG22 VAL 47 1HG2 VAL 47 -1.194 -7.555 -0.984 364 HG23 VAL 47 2HG2 VAL 47 0.097 -7.158 -2.105 365 H LEU 48 H LEU 48 -1.939 -5.687 -5.494 366 HA LEU 48 HA LEU 48 -4.131 -6.961 -6.905 367 HB2 LEU 48 2HB LEU 48 -3.362 -4.081 -6.579 368 HB3 LEU 48 1HB LEU 48 -4.636 -4.616 -7.660 369 HG LEU 48 HG LEU 48 -4.632 -5.023 -4.657 370 HD11 LEU 48 1HD1 LEU 48 -6.115 -3.018 -6.366 371 HD12 LEU 48 2HD1 LEU 48 -4.799 -2.650 -5.250 372 HD13 LEU 48 3HD1 LEU 48 -6.336 -3.261 -4.634 373 HD21 LEU 48 3HD2 LEU 48 -6.713 -5.427 -6.781 374 HD22 LEU 48 1HD2 LEU 48 -7.009 -5.578 -5.048 375 HD23 LEU 48 2HD2 LEU 48 -5.906 -6.696 -5.854 376 H ASP 49 H ASP 49 -3.963 -7.579 -8.882 377 HA ASP 49 HA ASP 49 -1.727 -7.246 -10.517 378 HB2 ASP 49 2HB ASP 49 -3.398 -9.022 -10.856 379 HB3 ASP 49 1HB ASP 49 -4.611 -7.813 -11.248 380 H GLN 50 H GLN 50 -1.523 -5.954 -12.346 381 HA GLN 50 HA GLN 50 -1.982 -3.229 -12.027 382 HB2 GLN 50 2HB GLN 50 -0.247 -4.223 -13.473 383 HB3 GLN 50 1HB GLN 50 -1.492 -4.678 -14.624 384 HG2 GLN 50 2HG GLN 50 -2.016 -2.316 -14.980 385 HG3 GLN 50 1HG GLN 50 -0.754 -1.872 -13.830 386 HE21 GLN 50 1HE2 GLN 50 -1.430 -3.138 -16.953 387 HE22 GLN 50 2HE2 GLN 50 0.179 -3.019 -17.577 388 H SER 51 H SER 51 -3.977 -5.621 -13.603 389 HA SER 51 HA SER 51 -5.652 -3.718 -14.956 390 HB2 SER 51 2HB SER 51 -6.331 -6.600 -14.394 391 HB3 SER 51 1HB SER 51 -6.792 -5.605 -15.767 392 HG SER 51 HG SER 51 -4.319 -6.786 -15.181 393 H ALA 52 H ALA 52 -5.487 -5.313 -11.890 394 HA ALA 52 HA ALA 52 -8.210 -4.962 -11.157 395 HB1 ALA 52 1HB ALA 52 -7.486 -5.619 -8.910 396 HB2 ALA 52 2HB ALA 52 -5.798 -5.471 -9.405 397 HB3 ALA 52 3HB ALA 52 -6.828 -6.709 -10.131 398 H ARG 53 H ARG 53 -5.236 -3.104 -10.769 399 HA ARG 53 HA ARG 53 -6.552 -1.171 -9.144 400 HB2 ARG 53 2HB ARG 53 -3.958 -0.883 -10.671 401 HB3 ARG 53 1HB ARG 53 -4.620 0.374 -9.640 402 HG2 ARG 53 2HG ARG 53 -3.342 -0.552 -8.045 403 HG3 ARG 53 1HG ARG 53 -4.611 -1.769 -7.959 404 HD2 ARG 53 2HD ARG 53 -2.502 -2.880 -8.136 405 HD3 ARG 53 1HD ARG 53 -3.397 -3.107 -9.619 406 HE ARG 53 HE ARG 53 -1.943 -0.868 -10.130 407 HH11 ARG 53 1HH1 ARG 53 -0.976 -4.155 -9.170 408 HH12 ARG 53 2HH1 ARG 53 0.501 -4.064 -9.996 409 HH21 ARG 53 1HH2 ARG 53 0.029 -0.819 -11.249 410 HH22 ARG 53 2HH2 ARG 53 1.081 -2.155 -11.246 411 H ALA 54 H ALA 54 -6.296 -1.652 -12.536 412 HA ALA 54 HA ALA 54 -7.224 0.907 -13.339 413 HB1 ALA 54 1HB ALA 54 -6.154 -0.636 -14.923 414 HB2 ALA 54 2HB ALA 54 -7.767 -0.191 -15.479 415 HB3 ALA 54 3HB ALA 54 -7.493 -1.767 -14.730 416 H ARG 55 H ARG 55 -8.814 -2.193 -12.677 417 HA ARG 55 HA ARG 55 -11.487 -1.416 -13.013 418 HB2 ARG 55 2HB ARG 55 -10.507 -3.734 -12.755 419 HB3 ARG 55 1HB ARG 55 -10.401 -3.398 -11.034 420 HG2 ARG 55 2HG ARG 55 -12.414 -4.640 -11.479 421 HG3 ARG 55 1HG ARG 55 -12.792 -2.972 -11.001 422 HD2 ARG 55 2HD ARG 55 -14.150 -3.755 -12.884 423 HD3 ARG 55 1HD ARG 55 -13.216 -2.325 -13.268 424 HE ARG 55 HE ARG 55 -11.665 -4.477 -14.076 425 HH11 ARG 55 1HH1 ARG 55 -14.898 -3.309 -14.938 426 HH12 ARG 55 2HH1 ARG 55 -14.755 -3.856 -16.556 427 HH21 ARG 55 1HH2 ARG 55 -11.516 -5.168 -16.147 428 HH22 ARG 55 2HH2 ARG 55 -12.790 -4.934 -17.285 429 H LEU 56 H LEU 56 -9.340 -1.305 -10.238 430 HA LEU 56 HA LEU 56 -11.096 -0.407 -8.268 431 HB2 LEU 56 2HB LEU 56 -8.827 -1.243 -7.862 432 HB3 LEU 56 1HB LEU 56 -8.163 0.167 -8.649 433 HG LEU 56 HG LEU 56 -9.094 1.579 -6.839 434 HD11 LEU 56 1HD1 LEU 56 -9.792 -1.065 -5.582 435 HD12 LEU 56 2HD1 LEU 56 -10.936 0.144 -6.168 436 HD13 LEU 56 3HD1 LEU 56 -9.889 0.511 -4.803 437 HD21 LEU 56 3HD2 LEU 56 -7.479 0.901 -5.149 438 HD22 LEU 56 1HD2 LEU 56 -6.788 0.800 -6.769 439 HD23 LEU 56 2HD2 LEU 56 -7.300 -0.669 -5.933 440 H SER 57 H SER 57 -9.110 1.399 -10.569 441 HA SER 57 HA SER 57 -9.738 3.968 -9.695 442 HB2 SER 57 2HB SER 57 -8.939 2.954 -12.413 443 HB3 SER 57 1HB SER 57 -8.906 4.644 -11.908 444 HG SER 57 HG SER 57 -7.230 2.509 -11.181 445 H ASN 58 H ASN 58 -11.192 1.941 -12.172 446 HA ASN 58 HA ASN 58 -13.214 3.715 -13.029 447 HB2 ASN 58 2HB ASN 58 -12.752 1.799 -14.390 448 HB3 ASN 58 1HB ASN 58 -13.049 0.697 -13.054 449 HD21 ASN 58 1HD2 ASN 58 -14.529 2.747 -15.449 450 HD22 ASN 58 2HD2 ASN 58 -16.116 2.080 -15.309 451 H LEU 59 H LEU 59 -13.096 1.413 -10.417 452 HA LEU 59 HA LEU 59 -15.790 1.408 -9.658 453 HB2 LEU 59 2HB LEU 59 -13.642 0.007 -8.954 454 HB3 LEU 59 1HB LEU 59 -13.608 1.144 -7.642 455 HG LEU 59 HG LEU 59 -14.696 -0.980 -7.010 456 HD11 LEU 59 1HD1 LEU 59 -15.343 0.994 -5.792 457 HD12 LEU 59 2HD1 LEU 59 -16.726 -0.080 -6.002 458 HD13 LEU 59 3HD1 LEU 59 -16.571 1.364 -7.002 459 HD21 LEU 59 3HD2 LEU 59 -15.638 -1.542 -9.184 460 HD22 LEU 59 1HD2 LEU 59 -16.801 -0.226 -9.031 461 HD23 LEU 59 2HD2 LEU 59 -16.862 -1.585 -7.914 462 H ALA 60 H ALA 60 -13.130 3.510 -8.900 463 HA ALA 60 HA ALA 60 -14.259 5.031 -6.817 464 HB1 ALA 60 1HB ALA 60 -12.281 5.942 -8.887 465 HB2 ALA 60 2HB ALA 60 -11.872 5.056 -7.412 466 HB3 ALA 60 3HB ALA 60 -12.559 6.684 -7.308 467 H LEU 61 H LEU 61 -14.844 5.080 -10.217 468 HA LEU 61 HA LEU 61 -16.039 7.689 -10.214 469 HB2 LEU 61 2HB LEU 61 -15.776 5.536 -12.245 470 HB3 LEU 61 1HB LEU 61 -16.933 6.828 -12.527 471 HG LEU 61 HG LEU 61 -15.007 8.441 -12.397 472 HD11 LEU 61 1HD1 LEU 61 -13.448 7.132 -11.110 473 HD12 LEU 61 2HD1 LEU 61 -12.745 7.573 -12.669 474 HD13 LEU 61 3HD1 LEU 61 -13.347 5.939 -12.402 475 HD21 LEU 61 3HD2 LEU 61 -14.839 6.294 -14.496 476 HD22 LEU 61 1HD2 LEU 61 -14.124 7.901 -14.612 477 HD23 LEU 61 2HD2 LEU 61 -15.874 7.722 -14.526 478 H VAL 62 H VAL 62 -17.114 4.418 -9.783 479 HA VAL 62 HA VAL 62 -19.824 5.351 -10.040 480 HB VAL 62 HB VAL 62 -20.580 2.997 -9.807 481 HG11 VAL 62 1HG1 VAL 62 -20.161 3.934 -11.990 482 HG12 VAL 62 2HG1 VAL 62 -19.700 2.233 -11.970 483 HG13 VAL 62 3HG1 VAL 62 -18.459 3.487 -11.883 484 HG21 VAL 62 3HG2 VAL 62 -18.918 1.169 -9.942 485 HG22 VAL 62 1HG2 VAL 62 -18.769 2.078 -8.435 486 HG23 VAL 62 2HG2 VAL 62 -17.629 2.357 -9.748 487 H LYS 63 H LYS 63 -18.035 3.666 -7.435 488 HA LYS 63 HA LYS 63 -19.540 5.245 -5.528 489 HB2 LYS 63 2HB LYS 63 -19.627 2.215 -5.477 490 HB3 LYS 63 1HB LYS 63 -20.020 3.226 -4.100 491 HG2 LYS 63 2HG LYS 63 -21.876 4.228 -5.378 492 HG3 LYS 63 1HG LYS 63 -21.473 3.195 -6.745 493 HD2 LYS 63 2HD LYS 63 -23.348 2.259 -5.501 494 HD3 LYS 63 1HD LYS 63 -21.941 1.205 -5.367 495 HE2 LYS 63 2HE LYS 63 -23.032 1.395 -3.214 496 HE3 LYS 63 1HE LYS 63 -21.461 2.168 -3.140 497 HZ1 LYS 63 3HZ LYS 63 -22.948 3.599 -2.055 498 HZ2 LYS 63 1HZ LYS 63 -24.120 3.465 -3.276 499 HZ3 LYS 63 2HZ LYS 63 -22.705 4.318 -3.550 500 HA PRO 64 HA PRO 64 -15.160 5.130 -4.352 501 HB2 PRO 64 2HB PRO 64 -16.022 7.251 -2.499 502 HB3 PRO 64 1HB PRO 64 -14.776 7.294 -3.748 503 HG2 PRO 64 2HG PRO 64 -17.096 8.600 -4.036 504 HG3 PRO 64 1HG PRO 64 -16.268 7.841 -5.413 505 HD2 PRO 64 2HD PRO 64 -18.635 6.890 -3.850 506 HD3 PRO 64 1HD PRO 64 -18.337 6.831 -5.603 507 H GLU 65 H GLU 65 -17.962 4.897 -2.396 508 HA GLU 65 HA GLU 65 -16.890 4.404 0.147 509 HB2 GLU 65 2HB GLU 65 -19.259 3.012 -1.039 510 HB3 GLU 65 1HB GLU 65 -18.934 3.296 0.656 511 HG2 GLU 65 2HG GLU 65 -19.311 5.660 0.342 512 HG3 GLU 65 1HG GLU 65 -19.589 5.389 -1.388 513 H LYS 66 H LYS 66 -17.679 2.291 -2.566 514 HA LYS 66 HA LYS 66 -16.814 -0.059 -1.207 515 HB2 LYS 66 2HB LYS 66 -17.847 0.504 -3.956 516 HB3 LYS 66 1HB LYS 66 -17.003 -0.998 -3.654 517 HG2 LYS 66 2HG LYS 66 -19.431 -1.302 -3.580 518 HG3 LYS 66 1HG LYS 66 -18.693 -1.674 -2.040 519 HD2 LYS 66 2HD LYS 66 -19.861 1.051 -2.481 520 HD3 LYS 66 1HD LYS 66 -20.957 -0.305 -2.206 521 HE2 LYS 66 2HE LYS 66 -19.745 -0.772 -0.089 522 HE3 LYS 66 1HE LYS 66 -18.746 0.646 -0.362 523 HZ1 LYS 66 3HZ LYS 66 -20.925 1.992 -0.283 524 HZ2 LYS 66 1HZ LYS 66 -20.503 1.199 1.142 525 HZ3 LYS 66 2HZ LYS 66 -21.680 0.572 0.160 526 H THR 67 H THR 67 -15.369 2.283 -3.381 527 HA THR 67 HA THR 67 -13.103 0.874 -4.192 528 HB THR 67 HB THR 67 -13.104 3.766 -3.435 529 HG1 THR 67 1HG THR 67 -14.309 2.551 -5.747 530 HG21 THR 67 3HG2 THR 67 -11.723 3.980 -5.472 531 HG22 THR 67 1HG2 THR 67 -11.910 2.251 -5.768 532 HG23 THR 67 2HG2 THR 67 -11.037 2.812 -4.345 533 H LYS 68 H LYS 68 -13.609 3.101 -1.425 534 HA LYS 68 HA LYS 68 -11.059 2.666 -0.315 535 HB2 LYS 68 2HB LYS 68 -11.865 3.795 1.695 536 HB3 LYS 68 1HB LYS 68 -12.397 4.653 0.258 537 HG2 LYS 68 2HG LYS 68 -14.605 3.855 0.490 538 HG3 LYS 68 1HG LYS 68 -14.125 2.718 1.747 539 HD2 LYS 68 2HD LYS 68 -13.518 4.606 3.185 540 HD3 LYS 68 1HD LYS 68 -14.086 5.723 1.936 541 HE2 LYS 68 2HE LYS 68 -16.321 4.855 2.116 542 HE3 LYS 68 1HE LYS 68 -15.786 3.601 3.237 543 HZ1 LYS 68 3HZ LYS 68 -15.229 5.284 4.820 544 HZ2 LYS 68 1HZ LYS 68 -16.844 5.462 4.352 545 HZ3 LYS 68 2HZ LYS 68 -15.666 6.513 3.747 546 H ALA 69 H ALA 69 -14.083 1.002 0.009 547 HA ALA 69 HA ALA 69 -13.447 -0.479 2.315 548 HB1 ALA 69 1HB ALA 69 -15.750 -0.207 1.494 549 HB2 ALA 69 2HB ALA 69 -15.317 -1.900 1.729 550 HB3 ALA 69 3HB ALA 69 -15.355 -1.219 0.100 551 H VAL 70 H VAL 70 -13.225 -1.348 -1.179 552 HA VAL 70 HA VAL 70 -11.996 -3.800 -0.560 553 HB VAL 70 HB VAL 70 -11.335 -3.991 -2.939 554 HG11 VAL 70 1HG1 VAL 70 -14.142 -2.995 -2.607 555 HG12 VAL 70 2HG1 VAL 70 -13.590 -4.629 -2.262 556 HG13 VAL 70 3HG1 VAL 70 -13.559 -4.015 -3.916 557 HG21 VAL 70 3HG2 VAL 70 -12.484 -1.223 -3.230 558 HG22 VAL 70 1HG2 VAL 70 -11.981 -2.269 -4.558 559 HG23 VAL 70 2HG2 VAL 70 -10.784 -1.667 -3.407 560 H GLU 71 H GLU 71 -10.616 -0.611 -1.211 561 HA GLU 71 HA GLU 71 -7.937 -1.419 -1.306 562 HB2 GLU 71 2HB GLU 71 -9.193 1.195 -0.431 563 HB3 GLU 71 1HB GLU 71 -7.438 0.982 -0.526 564 HG2 GLU 71 2HG GLU 71 -7.708 0.489 -2.926 565 HG3 GLU 71 1HG GLU 71 -9.443 0.755 -2.758 566 H ASN 72 H ASN 72 -9.856 -0.352 1.502 567 HA ASN 72 HA ASN 72 -8.031 -0.656 3.555 568 HB2 ASN 72 2HB ASN 72 -10.369 0.338 3.541 569 HB3 ASN 72 1HB ASN 72 -10.985 -1.300 3.593 570 HD21 ASN 72 1HD2 ASN 72 -11.391 0.867 5.400 571 HD22 ASN 72 2HD2 ASN 72 -10.846 0.341 6.929 572 H TYR 73 H TYR 73 -10.263 -2.970 2.066 573 HA TYR 73 HA TYR 73 -9.795 -5.145 3.756 574 HB2 TYR 73 2HB TYR 73 -11.734 -4.934 2.211 575 HB3 TYR 73 1HB TYR 73 -10.649 -5.203 0.857 576 HD1 TYR 73 1HD TYR 73 -12.217 -6.756 3.791 577 HD2 TYR 73 2HD TYR 73 -9.894 -7.440 0.296 578 HE1 TYR 73 1HE TYR 73 -12.605 -9.168 4.004 579 HE2 TYR 73 2HE TYR 73 -10.265 -9.853 0.515 580 HH TYR 73 HH TYR 73 -10.870 -11.487 2.251 581 H LEU 74 H LEU 74 -8.369 -4.382 0.562 582 HA LEU 74 HA LEU 74 -6.697 -6.640 0.583 583 HB2 LEU 74 2HB LEU 74 -6.592 -4.123 -1.035 584 HB3 LEU 74 1HB LEU 74 -5.231 -5.227 -1.030 585 HG LEU 74 HG LEU 74 -6.539 -5.645 -2.979 586 HD11 LEU 74 1HD1 LEU 74 -7.056 -7.986 -2.766 587 HD12 LEU 74 2HD1 LEU 74 -7.033 -7.853 -1.015 588 HD13 LEU 74 3HD1 LEU 74 -5.552 -7.580 -1.940 589 HD21 LEU 74 3HD2 LEU 74 -8.688 -4.748 -2.296 590 HD22 LEU 74 1HD2 LEU 74 -8.907 -6.090 -1.171 591 HD23 LEU 74 2HD2 LEU 74 -8.875 -6.395 -2.907 592 H ILE 75 H ILE 75 -6.096 -3.372 1.737 593 HA ILE 75 HA ILE 75 -3.397 -3.688 2.384 594 HB ILE 75 HB ILE 75 -5.526 -2.036 3.799 595 HG12 ILE 75 2HG1 ILE 75 -3.376 -1.230 1.818 596 HG13 ILE 75 1HG1 ILE 75 -5.082 -1.435 1.443 597 HG21 ILE 75 1HG2 ILE 75 -3.694 -0.750 4.826 598 HG22 ILE 75 2HG2 ILE 75 -2.527 -1.892 4.159 599 HG23 ILE 75 3HG2 ILE 75 -3.699 -2.432 5.359 600 HD11 ILE 75 3HD1 ILE 75 -4.490 0.916 1.684 601 HD12 ILE 75 1HD1 ILE 75 -3.915 0.609 3.323 602 HD13 ILE 75 2HD1 ILE 75 -5.626 0.422 2.939 603 H GLN 76 H GLN 76 -6.284 -4.510 4.183 604 HA GLN 76 HA GLN 76 -4.918 -5.431 6.502 605 HB2 GLN 76 2HB GLN 76 -7.647 -5.106 5.665 606 HB3 GLN 76 1HB GLN 76 -7.433 -6.696 6.375 607 HG2 GLN 76 2HG GLN 76 -8.125 -5.058 8.037 608 HG3 GLN 76 1HG GLN 76 -6.535 -5.714 8.397 609 HE21 GLN 76 1HE2 GLN 76 -7.163 -3.218 5.961 610 HE22 GLN 76 2HE2 GLN 76 -6.335 -1.976 6.798 611 H MET 77 H MET 77 -6.454 -7.079 3.795 612 HA MET 77 HA MET 77 -6.020 -9.705 4.688 613 HB2 MET 77 2HB MET 77 -7.573 -8.812 2.830 614 HB3 MET 77 1HB MET 77 -6.156 -8.910 1.801 615 HG2 MET 77 2HG MET 77 -7.155 -10.910 1.334 616 HG3 MET 77 1HG MET 77 -6.062 -11.385 2.629 617 HE1 MET 77 3HE MET 77 -7.802 -10.307 5.314 618 HE2 MET 77 1HE MET 77 -6.916 -11.836 5.185 619 HE3 MET 77 2HE MET 77 -8.610 -11.833 5.652 620 H ALA 78 H ALA 78 -4.043 -7.533 2.681 621 HA ALA 78 HA ALA 78 -2.070 -9.471 2.051 622 HB1 ALA 78 1HB ALA 78 -0.749 -7.599 1.245 623 HB2 ALA 78 2HB ALA 78 -1.833 -6.469 2.055 624 HB3 ALA 78 3HB ALA 78 -2.427 -7.441 0.712 625 H ARG 79 H ARG 79 -2.400 -7.040 4.597 626 HA ARG 79 HA ARG 79 0.188 -7.266 5.679 627 HB2 ARG 79 2HB ARG 79 -1.248 -5.385 6.270 628 HB3 ARG 79 1HB ARG 79 -2.400 -6.471 7.028 629 HG2 ARG 79 2HG ARG 79 -0.707 -7.082 8.710 630 HG3 ARG 79 1HG ARG 79 0.422 -5.955 7.964 631 HD2 ARG 79 2HD ARG 79 -2.262 -5.182 9.063 632 HD3 ARG 79 1HD ARG 79 -0.765 -5.098 9.996 633 HE ARG 79 HE ARG 79 -0.076 -3.623 7.969 634 HH11 ARG 79 1HH1 ARG 79 -3.245 -3.654 9.586 635 HH12 ARG 79 2HH1 ARG 79 -3.552 -2.007 9.335 636 HH21 ARG 79 1HH2 ARG 79 -0.475 -1.326 7.668 637 HH22 ARG 79 2HH2 ARG 79 -1.925 -0.646 8.226 638 H TYR 80 H TYR 80 -2.642 -9.237 6.045 639 HA TYR 80 HA TYR 80 -1.628 -10.629 8.351 640 HB2 TYR 80 2HB TYR 80 -3.948 -11.357 6.543 641 HB3 TYR 80 1HB TYR 80 -3.560 -12.140 8.064 642 HD1 TYR 80 2HD TYR 80 -2.935 -9.671 9.721 643 HD2 TYR 80 1HD TYR 80 -6.083 -10.486 6.973 644 HE1 TYR 80 2HE TYR 80 -4.367 -8.046 10.881 645 HE2 TYR 80 1HE TYR 80 -7.518 -8.855 8.131 646 HH TYR 80 HH TYR 80 -6.280 -6.670 10.476 647 H GLY 81 H GLY 81 -0.405 -10.611 5.438 648 HA2 GLY 81 2HA GLY 81 1.140 -11.957 4.412 649 HA3 GLY 81 1HA GLY 81 1.007 -13.049 5.783 650 H GLN 82 H GLN 82 -1.811 -12.214 4.044 651 HA GLN 82 HA GLN 82 -1.909 -14.956 3.103 652 HB2 GLN 82 2HB GLN 82 -4.088 -12.924 3.537 653 HB3 GLN 82 1HB GLN 82 -4.372 -14.499 2.806 654 HG2 GLN 82 2HG GLN 82 -3.588 -15.611 4.816 655 HG3 GLN 82 1HG GLN 82 -3.189 -14.060 5.539 656 HE21 GLN 82 1HE2 GLN 82 -5.747 -16.190 4.577 657 HE22 GLN 82 2HE2 GLN 82 -6.988 -15.441 5.513 658 H LEU 83 H LEU 83 -1.141 -11.979 1.892 659 HA LEU 83 HA LEU 83 -1.474 -13.021 -0.792 660 HB2 LEU 83 2HB LEU 83 -2.270 -10.252 0.042 661 HB3 LEU 83 1HB LEU 83 -1.751 -10.594 -1.586 662 HG LEU 83 HG LEU 83 -4.057 -10.552 -1.682 663 HD11 LEU 83 1HD1 LEU 83 -3.151 -12.395 -2.871 664 HD12 LEU 83 2HD1 LEU 83 -4.772 -12.756 -2.274 665 HD13 LEU 83 3HD1 LEU 83 -3.363 -13.452 -1.472 666 HD21 LEU 83 3HD2 LEU 83 -4.133 -12.273 0.763 667 HD22 LEU 83 1HD2 LEU 83 -5.539 -11.771 -0.191 668 HD23 LEU 83 2HD2 LEU 83 -4.546 -10.556 0.625 669 H SER 84 H SER 84 -0.129 -12.139 -2.310 670 HA SER 84 HA SER 84 2.050 -10.441 -1.795 671 HB2 SER 84 2HB SER 84 2.783 -12.500 -0.516 672 HB3 SER 84 1HB SER 84 2.651 -13.417 -2.011 673 HG SER 84 HG SER 84 4.362 -12.377 -2.839 674 H GLU 85 H GLU 85 0.663 -13.174 -3.539 675 HA GLU 85 HA GLU 85 1.743 -12.384 -6.071 676 HB2 GLU 85 2HB GLU 85 -0.179 -14.564 -5.271 677 HB3 GLU 85 1HB GLU 85 0.467 -14.342 -6.891 678 HG2 GLU 85 2HG GLU 85 2.099 -14.904 -4.427 679 HG3 GLU 85 1HG GLU 85 1.650 -16.089 -5.656 680 H LYS 86 H LYS 86 0.191 -12.363 -7.913 681 HA LYS 86 HA LYS 86 -1.356 -10.040 -7.681 682 HB2 LYS 86 2HB LYS 86 -1.129 -12.016 -9.924 683 HB3 LYS 86 1HB LYS 86 -1.861 -10.427 -10.037 684 HG2 LYS 86 2HG LYS 86 0.259 -9.392 -9.513 685 HG3 LYS 86 1HG LYS 86 1.013 -10.975 -9.341 686 HD2 LYS 86 2HD LYS 86 0.506 -11.471 -11.677 687 HD3 LYS 86 1HD LYS 86 -0.258 -9.889 -11.850 688 HE2 LYS 86 2HE LYS 86 1.853 -8.800 -11.365 689 HE3 LYS 86 1HE LYS 86 2.627 -10.361 -11.118 690 HZ1 LYS 86 3HZ LYS 86 2.169 -10.895 -13.434 691 HZ2 LYS 86 1HZ LYS 86 3.084 -9.487 -13.312 692 HZ3 LYS 86 2HZ LYS 86 1.447 -9.388 -13.666 693 H VAL 87 H VAL 87 -3.295 -9.883 -6.920 694 HA VAL 87 HA VAL 87 -5.319 -11.929 -7.310 695 HB VAL 87 HB VAL 87 -5.544 -9.128 -6.122 696 HG11 VAL 87 1HG1 VAL 87 -7.445 -11.466 -5.962 697 HG12 VAL 87 2HG1 VAL 87 -7.673 -10.003 -6.919 698 HG13 VAL 87 3HG1 VAL 87 -7.660 -9.909 -5.159 699 HG21 VAL 87 3HG2 VAL 87 -5.258 -11.762 -4.681 700 HG22 VAL 87 1HG2 VAL 87 -5.562 -10.201 -3.918 701 HG23 VAL 87 2HG2 VAL 87 -4.042 -10.487 -4.771 702 H SER 88 H SER 88 -6.435 -11.875 -9.139 703 HA SER 88 HA SER 88 -5.990 -9.733 -11.004 704 HB2 SER 88 2HB SER 88 -7.644 -12.237 -11.281 705 HB3 SER 88 1HB SER 88 -7.016 -11.216 -12.580 706 HG SER 88 HG SER 88 -4.898 -11.693 -11.665 707 H GLU 89 H GLU 89 -8.125 -9.258 -12.388 708 HA GLU 89 HA GLU 89 -9.743 -7.617 -10.840 709 HB2 GLU 89 2HB GLU 89 -10.230 -8.766 -13.583 710 HB3 GLU 89 1HB GLU 89 -11.182 -7.461 -12.871 711 HG2 GLU 89 2HG GLU 89 -9.111 -6.127 -12.740 712 HG3 GLU 89 1HG GLU 89 -8.258 -7.441 -13.547 713 H GLN 90 H GLN 90 -10.268 -10.872 -12.018 714 HA GLN 90 HA GLN 90 -12.929 -11.298 -11.286 715 HB2 GLN 90 2HB GLN 90 -11.522 -12.804 -12.646 716 HB3 GLN 90 1HB GLN 90 -10.629 -13.251 -11.204 717 HG2 GLN 90 2HG GLN 90 -12.799 -14.088 -10.264 718 HG3 GLN 90 1HG GLN 90 -13.495 -13.835 -11.868 719 HE21 GLN 90 1HE2 GLN 90 -13.204 -16.292 -10.419 720 HE22 GLN 90 2HE2 GLN 90 -12.214 -17.316 -11.389 721 H GLY 91 H GLY 91 -9.987 -11.398 -9.347 722 HA2 GLY 91 2HA GLY 91 -11.238 -12.526 -7.027 723 HA3 GLY 91 1HA GLY 91 -9.633 -11.798 -7.118 724 H LEU 92 H LEU 92 -10.198 -9.330 -8.053 725 HA LEU 92 HA LEU 92 -10.922 -7.951 -5.719 726 HB2 LEU 92 2HB LEU 92 -9.456 -6.993 -7.445 727 HB3 LEU 92 1HB LEU 92 -10.808 -6.915 -8.556 728 HG LEU 92 HG LEU 92 -11.916 -5.302 -7.023 729 HD11 LEU 92 1HD1 LEU 92 -10.852 -5.911 -4.938 730 HD12 LEU 92 2HD1 LEU 92 -10.577 -4.205 -5.288 731 HD13 LEU 92 3HD1 LEU 92 -9.288 -5.379 -5.556 732 HD21 LEU 92 3HD2 LEU 92 -9.172 -4.499 -7.978 733 HD22 LEU 92 1HD2 LEU 92 -10.496 -3.399 -7.596 734 HD23 LEU 92 2HD2 LEU 92 -10.645 -4.522 -8.951 735 H ILE 93 H ILE 93 -12.749 -8.743 -8.619 736 HA ILE 93 HA ILE 93 -15.061 -7.285 -8.002 737 HB ILE 93 HB ILE 93 -14.704 -9.774 -9.717 738 HG12 ILE 93 2HG1 ILE 93 -15.123 -6.870 -10.467 739 HG13 ILE 93 1HG1 ILE 93 -13.562 -7.679 -10.421 740 HG21 ILE 93 1HG2 ILE 93 -17.157 -8.007 -9.507 741 HG22 ILE 93 2HG2 ILE 93 -17.045 -9.681 -8.965 742 HG23 ILE 93 3HG2 ILE 93 -16.921 -9.302 -10.683 743 HD11 ILE 93 3HD1 ILE 93 -14.299 -9.184 -12.184 744 HD12 ILE 93 1HD1 ILE 93 -14.404 -7.499 -12.682 745 HD13 ILE 93 2HD1 ILE 93 -15.869 -8.374 -12.230 746 H GLU 94 H GLU 94 -14.029 -10.505 -6.973 747 HA GLU 94 HA GLU 94 -16.516 -11.131 -5.743 748 HB2 GLU 94 2HB GLU 94 -14.911 -12.919 -6.276 749 HB3 GLU 94 1HB GLU 94 -13.767 -12.246 -5.124 750 HG2 GLU 94 2HG GLU 94 -15.241 -12.727 -3.289 751 HG3 GLU 94 1HG GLU 94 -16.509 -13.233 -4.396 752 H ILE 95 H ILE 95 -13.531 -9.683 -4.636 753 HA ILE 95 HA ILE 95 -14.266 -9.366 -1.937 754 HB ILE 95 HB ILE 95 -12.341 -7.673 -3.602 755 HG12 ILE 95 2HG1 ILE 95 -11.814 -9.955 -1.686 756 HG13 ILE 95 1HG1 ILE 95 -11.834 -10.119 -3.436 757 HG21 ILE 95 1HG2 ILE 95 -11.403 -6.923 -1.515 758 HG22 ILE 95 2HG2 ILE 95 -12.606 -7.846 -0.618 759 HG23 ILE 95 3HG2 ILE 95 -13.111 -6.482 -1.610 760 HD11 ILE 95 3HD1 ILE 95 -9.569 -9.981 -2.574 761 HD12 ILE 95 1HD1 ILE 95 -9.933 -8.423 -1.834 762 HD13 ILE 95 2HD1 ILE 95 -9.934 -8.586 -3.591 763 H LEU 96 H LEU 96 -14.780 -7.398 -4.777 764 HA LEU 96 HA LEU 96 -15.940 -5.154 -3.633 765 HB2 LEU 96 2HB LEU 96 -15.270 -5.323 -5.989 766 HB3 LEU 96 1HB LEU 96 -16.568 -6.463 -6.271 767 HG LEU 96 HG LEU 96 -18.187 -4.671 -5.661 768 HD11 LEU 96 1HD1 LEU 96 -17.416 -2.354 -5.668 769 HD12 LEU 96 2HD1 LEU 96 -15.745 -2.916 -5.752 770 HD13 LEU 96 3HD1 LEU 96 -16.716 -3.265 -4.330 771 HD21 LEU 96 3HD2 LEU 96 -17.692 -5.227 -7.983 772 HD22 LEU 96 1HD2 LEU 96 -16.340 -4.095 -7.977 773 HD23 LEU 96 2HD2 LEU 96 -17.994 -3.502 -7.800 774 H LYS 97 H LYS 97 -17.362 -8.225 -4.631 775 HA LYS 97 HA LYS 97 -20.071 -7.665 -4.176 776 HB2 LYS 97 2HB LYS 97 -18.629 -10.279 -3.726 777 HB3 LYS 97 1HB LYS 97 -20.366 -10.083 -3.855 778 HG2 LYS 97 2HG LYS 97 -20.105 -9.365 -6.178 779 HG3 LYS 97 1HG LYS 97 -18.357 -9.557 -6.032 780 HD2 LYS 97 2HD LYS 97 -18.646 -11.928 -5.543 781 HD3 LYS 97 1HD LYS 97 -20.389 -11.754 -5.653 782 HE2 LYS 97 2HE LYS 97 -20.105 -11.009 -8.002 783 HE3 LYS 97 1HE LYS 97 -18.382 -11.357 -7.859 784 HZ1 LYS 97 3HZ LYS 97 -18.995 -13.693 -7.344 785 HZ2 LYS 97 1HZ LYS 97 -19.525 -13.194 -8.868 786 HZ3 LYS 97 2HZ LYS 97 -20.613 -13.292 -7.611 787 H LYS 98 H LYS 98 -17.597 -8.955 -2.066 788 HA LYS 98 HA LYS 98 -19.144 -9.433 0.209 789 HB2 LYS 98 2HB LYS 98 -16.201 -8.773 0.048 790 HB3 LYS 98 1HB LYS 98 -17.011 -9.564 1.396 791 HG2 LYS 98 2HG LYS 98 -17.543 -11.472 0.009 792 HG3 LYS 98 1HG LYS 98 -16.865 -10.671 -1.402 793 HD2 LYS 98 2HD LYS 98 -15.290 -12.287 -0.589 794 HD3 LYS 98 1HD LYS 98 -14.647 -10.678 -0.270 795 HE2 LYS 98 2HE LYS 98 -15.300 -10.826 2.036 796 HE3 LYS 98 1HE LYS 98 -16.122 -12.357 1.748 797 HZ1 LYS 98 3HZ LYS 98 -13.907 -13.277 1.114 798 HZ2 LYS 98 1HZ LYS 98 -14.093 -12.826 2.730 799 HZ3 LYS 98 2HZ LYS 98 -13.184 -11.851 1.708 800 H VAL 99 H VAL 99 -17.258 -6.574 -0.711 801 HA VAL 99 HA VAL 99 -17.971 -5.236 1.726 802 HB VAL 99 HB VAL 99 -16.841 -3.253 0.881 803 HG11 VAL 99 1HG1 VAL 99 -15.497 -4.963 1.936 804 HG12 VAL 99 2HG1 VAL 99 -14.579 -4.194 0.644 805 HG13 VAL 99 3HG1 VAL 99 -15.293 -5.789 0.392 806 HG21 VAL 99 3HG2 VAL 99 -15.736 -3.237 -1.301 807 HG22 VAL 99 1HG2 VAL 99 -17.486 -3.383 -1.465 808 HG23 VAL 99 2HG2 VAL 99 -16.463 -4.804 -1.675 809 H SER 100 H SER 100 -19.432 -5.408 -1.419 810 HA SER 100 HA SER 100 -21.076 -3.118 -1.009 811 HB2 SER 100 2HB SER 100 -21.429 -5.495 -2.855 812 HB3 SER 100 1HB SER 100 -22.295 -3.960 -2.963 813 HG SER 100 HG SER 100 -19.519 -4.426 -3.311 814 H GLN 101 H GLN 101 -21.138 -6.488 -0.290 815 HA GLN 101 HA GLN 101 -23.861 -6.778 0.437 816 HB2 GLN 101 2HB GLN 101 -22.427 -8.606 -0.284 817 HB3 GLN 101 1HB GLN 101 -21.395 -8.354 1.109 818 HG2 GLN 101 2HG GLN 101 -23.384 -8.893 2.531 819 HG3 GLN 101 1HG GLN 101 -24.199 -9.388 1.043 820 HE21 GLN 101 1HE2 GLN 101 -23.412 -11.167 -0.105 821 HE22 GLN 101 2HE2 GLN 101 -22.375 -12.311 0.658 822 H GLN 102 H GLN 102 -20.858 -6.632 2.341 823 HA GLN 102 HA GLN 102 -22.026 -5.006 4.318 824 HB2 GLN 102 2HB GLN 102 -22.927 -7.240 4.938 825 HB3 GLN 102 1HB GLN 102 -21.281 -7.840 5.072 826 HG2 GLN 102 2HG GLN 102 -20.824 -6.273 6.832 827 HG3 GLN 102 1HG GLN 102 -22.440 -5.594 6.580 828 HE21 GLN 102 1HE2 GLN 102 -24.226 -6.716 7.404 829 HE22 GLN 102 2HE2 GLN 102 -24.087 -8.070 8.452 830 H THR 103 H THR 103 -19.514 -7.466 4.726 831 HA THR 103 HA THR 103 -17.407 -5.530 4.381 832 HB THR 103 HB THR 103 -16.498 -6.585 6.534 833 HG1 THR 103 1HG THR 103 -18.484 -6.877 8.010 834 HG21 THR 103 3HG2 THR 103 -17.043 -4.196 6.383 835 HG22 THR 103 1HG2 THR 103 -17.543 -4.831 7.952 836 HG23 THR 103 2HG2 THR 103 -18.742 -4.558 6.688 837 H GLU 104 H GLU 104 -17.750 -8.614 5.920 838 HA GLU 104 HA GLU 104 -16.446 -10.180 3.838 839 HB2 GLU 104 2HB GLU 104 -14.675 -8.968 5.356 840 HB3 GLU 104 1HB GLU 104 -15.221 -10.068 6.601 841 HG2 GLU 104 2HG GLU 104 -13.928 -10.845 3.988 842 HG3 GLU 104 1HG GLU 104 -13.142 -10.804 5.559 843 H LYS 105 H LYS 105 -17.327 -9.836 7.113 844 HA LYS 105 HA LYS 105 -18.690 -10.857 8.597 845 HB2 LYS 105 2HB LYS 105 -19.452 -12.893 6.486 846 HB3 LYS 105 1HB LYS 105 -20.294 -12.580 7.997 847 HG2 LYS 105 2HG LYS 105 -20.995 -10.395 7.157 848 HG3 LYS 105 1HG LYS 105 -20.094 -10.673 5.668 849 HD2 LYS 105 2HD LYS 105 -22.513 -12.201 6.652 850 HD3 LYS 105 1HD LYS 105 -22.422 -11.139 5.253 851 HE2 LYS 105 2HE LYS 105 -21.058 -13.822 5.591 852 HE3 LYS 105 1HE LYS 105 -22.380 -13.436 4.504 853 HZ1 LYS 105 3HZ LYS 105 -19.576 -12.416 4.271 854 HZ2 LYS 105 1HZ LYS 105 -20.890 -11.951 3.300 855 HZ3 LYS 105 2HZ LYS 105 -20.355 -13.522 3.281 856 H THR 106 H THR 106 -16.437 -11.239 9.256 857 HA THR 106 HA THR 106 -15.575 -13.992 9.005 858 HB THR 106 HB THR 106 -14.317 -11.944 10.722 859 HG1 THR 106 1HG THR 106 -14.224 -12.209 7.862 860 HG21 THR 106 3HG2 THR 106 -13.447 -14.220 10.824 861 HG22 THR 106 1HG2 THR 106 -12.250 -13.148 10.096 862 HG23 THR 106 2HG2 THR 106 -13.209 -14.220 9.077 863 H THR 107 H THR 107 -15.962 -11.768 11.781 864 HA THR 107 HA THR 107 -16.722 -14.051 13.399 865 HB THR 107 HB THR 107 -16.172 -11.177 14.206 866 HG1 THR 107 1HG THR 107 -14.142 -11.717 14.312 867 HG21 THR 107 3HG2 THR 107 -17.572 -12.424 15.818 868 HG22 THR 107 1HG2 THR 107 -15.969 -12.101 16.478 869 HG23 THR 107 2HG2 THR 107 -16.363 -13.707 15.867 870 H THR 108 H THR 108 -18.835 -14.510 13.130 871 HA THR 108 HA THR 108 -20.771 -12.446 12.697 872 HB THR 108 HB THR 108 -22.268 -14.580 12.716 873 HG1 THR 108 1HG THR 108 -20.230 -16.115 11.894 874 HG21 THR 108 3HG2 THR 108 -21.632 -15.073 10.396 875 HG22 THR 108 1HG2 THR 108 -20.112 -14.209 10.625 876 HG23 THR 108 2HG2 THR 108 -21.643 -13.333 10.680 877 H VAL 109 H VAL 109 -21.965 -11.558 14.266 878 HA VAL 109 HA VAL 109 -21.528 -12.444 16.955 879 HB VAL 109 HB VAL 109 -23.029 -10.503 17.629 880 HG11 VAL 109 1HG1 VAL 109 -20.602 -10.287 17.574 881 HG12 VAL 109 2HG1 VAL 109 -21.367 -8.785 17.044 882 HG13 VAL 109 3HG1 VAL 109 -20.667 -9.881 15.858 883 HG21 VAL 109 3HG2 VAL 109 -24.340 -10.343 15.544 884 HG22 VAL 109 1HG2 VAL 109 -22.888 -9.846 14.678 885 HG23 VAL 109 2HG2 VAL 109 -23.561 -8.811 15.938 886 H LYS 110 H LYS 110 -22.465 -14.166 17.595 887 HA LYS 110 HA LYS 110 -25.358 -14.523 17.114 888 HB2 LYS 110 2HB LYS 110 -24.910 -16.944 17.038 889 HB3 LYS 110 1HB LYS 110 -24.080 -16.073 15.755 890 HG2 LYS 110 2HG LYS 110 -22.005 -16.138 17.091 891 HG3 LYS 110 1HG LYS 110 -22.851 -17.086 18.313 892 HD2 LYS 110 2HD LYS 110 -23.262 -18.839 16.673 893 HD3 LYS 110 1HD LYS 110 -22.448 -17.879 15.435 894 HE2 LYS 110 2HE LYS 110 -20.390 -17.947 16.782 895 HE3 LYS 110 1HE LYS 110 -21.216 -18.968 17.959 896 HZ1 LYS 110 3HZ LYS 110 -21.515 -20.634 16.244 897 HZ2 LYS 110 1HZ LYS 110 -19.869 -20.247 16.421 898 HZ3 LYS 110 2HZ LYS 110 -20.773 -19.640 15.115 899 H PHE 111 H PHE 111 -23.491 -13.530 19.376 900 HA PHE 111 HA PHE 111 -24.950 -14.519 21.570 901 HB2 PHE 111 2HB PHE 111 -23.341 -16.454 21.135 902 HB3 PHE 111 1HB PHE 111 -22.015 -15.333 21.389 903 HD1 PHE 111 1HD PHE 111 -25.053 -16.662 23.076 904 HD2 PHE 111 2HD PHE 111 -21.098 -15.152 23.519 905 HE1 PHE 111 1HE PHE 111 -25.124 -17.194 25.475 906 HE2 PHE 111 2HE PHE 111 -21.168 -15.678 25.920 907 HZ PHE 111 HZ PHE 111 -23.179 -16.696 26.900 908 H ASN 112 H ASN 112 -23.823 -13.432 23.596 909 HA ASN 112 HA ASN 112 -22.331 -11.120 22.699 910 HB2 ASN 112 2HB ASN 112 -24.692 -10.417 22.982 911 HB3 ASN 112 1HB ASN 112 -24.650 -10.998 24.644 912 HD21 ASN 112 1HD2 ASN 112 -25.123 -8.934 25.383 913 HD22 ASN 112 2HD2 ASN 112 -23.953 -7.672 25.438 Start of MODEL 10 1 H1 GLY 0 1HT GLY 0 1.780 52.088 16.523 2 H2 GLY 0 2HT GLY 0 1.298 53.317 17.578 3 H3 GLY 0 3HT GLY 0 0.217 52.708 16.441 4 HA2 GLY 0 1HA GLY 0 0.188 50.583 17.525 5 HA3 GLY 0 2HA GLY 0 1.343 51.204 18.705 6 H SER 1 H SER 1 -1.487 50.230 18.836 7 HA SER 1 HA SER 1 -2.421 52.012 20.829 8 HB2 SER 1 2HB SER 1 -4.074 51.739 18.277 9 HB3 SER 1 1HB SER 1 -4.634 52.512 19.758 10 HG SER 1 HG SER 1 -2.303 53.559 18.974 11 H ALA 2 H ALA 2 -2.655 50.362 22.198 12 HA ALA 2 HA ALA 2 -2.858 47.685 21.594 13 HB1 ALA 2 1HB ALA 2 -3.787 48.994 24.138 14 HB2 ALA 2 2HB ALA 2 -2.120 48.567 23.755 15 HB3 ALA 2 3HB ALA 2 -3.339 47.302 23.934 16 H ASP 3 H ASP 3 -5.522 49.816 22.470 17 HA ASP 3 HA ASP 3 -7.508 47.761 22.485 18 HB2 ASP 3 2HB ASP 3 -7.834 49.903 23.662 19 HB3 ASP 3 1HB ASP 3 -7.850 50.743 22.117 20 H GLU 4 H GLU 4 -6.429 50.057 20.120 21 HA GLU 4 HA GLU 4 -8.331 49.561 18.084 22 HB2 GLU 4 2HB GLU 4 -6.744 51.525 18.300 23 HB3 GLU 4 1HB GLU 4 -5.478 50.440 17.744 24 HG2 GLU 4 2HG GLU 4 -6.251 51.799 15.923 25 HG3 GLU 4 1HG GLU 4 -6.698 50.115 15.647 26 H GLU 5 H GLU 5 -5.104 48.309 18.740 27 HA GLU 5 HA GLU 5 -4.957 46.624 16.493 28 HB2 GLU 5 2HB GLU 5 -3.399 46.642 19.070 29 HB3 GLU 5 1HB GLU 5 -3.008 45.615 17.696 30 HG2 GLU 5 2HG GLU 5 -2.658 47.564 16.304 31 HG3 GLU 5 1HG GLU 5 -3.110 48.617 17.640 32 H LEU 6 H LEU 6 -6.036 46.106 19.799 33 HA LEU 6 HA LEU 6 -6.426 43.333 19.666 34 HB2 LEU 6 2HB LEU 6 -6.545 44.629 21.755 35 HB3 LEU 6 1HB LEU 6 -7.983 45.441 21.176 36 HG LEU 6 HG LEU 6 -9.202 43.292 21.246 37 HD11 LEU 6 1HD1 LEU 6 -6.668 42.229 22.485 38 HD12 LEU 6 2HD1 LEU 6 -7.346 41.758 20.924 39 HD13 LEU 6 3HD1 LEU 6 -8.211 41.382 22.411 40 HD21 LEU 6 3HD2 LEU 6 -9.355 43.151 23.679 41 HD22 LEU 6 1HD2 LEU 6 -9.295 44.826 23.132 42 HD23 LEU 6 2HD2 LEU 6 -7.857 44.074 23.828 43 H GLU 7 H GLU 7 -8.613 46.032 19.001 44 HA GLU 7 HA GLU 7 -10.809 44.611 18.048 45 HB2 GLU 7 2HB GLU 7 -9.771 47.373 17.575 46 HB3 GLU 7 1HB GLU 7 -11.211 46.797 16.751 47 HG2 GLU 7 2HG GLU 7 -10.902 46.729 19.732 48 HG3 GLU 7 1HG GLU 7 -11.582 48.098 18.840 49 H ALA 8 H ALA 8 -7.907 45.663 16.408 50 HA ALA 8 HA ALA 8 -8.749 45.047 13.782 51 HB1 ALA 8 1HB ALA 8 -6.832 46.535 14.236 52 HB2 ALA 8 2HB ALA 8 -6.386 45.203 13.172 53 HB3 ALA 8 3HB ALA 8 -5.938 45.159 14.877 54 H LEU 9 H LEU 9 -6.802 43.249 16.138 55 HA LEU 9 HA LEU 9 -6.381 40.948 14.589 56 HB2 LEU 9 2HB LEU 9 -5.191 41.645 16.720 57 HB3 LEU 9 1HB LEU 9 -6.600 41.140 17.608 58 HG LEU 9 HG LEU 9 -4.923 39.229 15.961 59 HD11 LEU 9 1HD1 LEU 9 -3.904 38.563 18.085 60 HD12 LEU 9 2HD1 LEU 9 -4.753 39.876 18.901 61 HD13 LEU 9 3HD1 LEU 9 -3.535 40.237 17.677 62 HD21 LEU 9 3HD2 LEU 9 -6.880 38.742 18.215 63 HD22 LEU 9 1HD2 LEU 9 -5.948 37.510 17.367 64 HD23 LEU 9 2HD2 LEU 9 -7.186 38.425 16.506 65 H ARG 10 H ARG 10 -8.864 41.790 16.908 66 HA ARG 10 HA ARG 10 -10.384 39.477 16.977 67 HB2 ARG 10 2HB ARG 10 -10.632 41.288 18.553 68 HB3 ARG 10 1HB ARG 10 -11.138 42.379 17.283 69 HG2 ARG 10 2HG ARG 10 -13.219 41.277 17.069 70 HG3 ARG 10 1HG ARG 10 -12.711 39.968 18.146 71 HD2 ARG 10 2HD ARG 10 -12.927 42.876 18.930 72 HD3 ARG 10 1HD ARG 10 -14.170 41.661 19.250 73 HE ARG 10 HE ARG 10 -12.125 40.505 20.375 74 HH11 ARG 10 1HH1 ARG 10 -12.777 44.023 20.539 75 HH12 ARG 10 2HH1 ARG 10 -12.355 44.107 22.188 76 HH21 ARG 10 1HH2 ARG 10 -11.483 40.742 22.625 77 HH22 ARG 10 2HH2 ARG 10 -11.597 42.281 23.361 78 H ARG 11 H ARG 11 -10.553 42.175 14.707 79 HA ARG 11 HA ARG 11 -12.702 40.968 13.217 80 HB2 ARG 11 2HB ARG 11 -10.998 43.395 12.767 81 HB3 ARG 11 1HB ARG 11 -12.155 42.833 11.566 82 HG2 ARG 11 2HG ARG 11 -13.981 43.176 13.048 83 HG3 ARG 11 1HG ARG 11 -12.898 43.477 14.407 84 HD2 ARG 11 2HD ARG 11 -12.136 45.506 13.450 85 HD3 ARG 11 1HD ARG 11 -12.983 45.184 11.927 86 HE ARG 11 HE ARG 11 -14.927 45.863 12.896 87 HH11 ARG 11 1HH1 ARG 11 -12.488 45.523 15.408 88 HH12 ARG 11 2HH1 ARG 11 -13.300 46.530 16.540 89 HH21 ARG 11 1HH2 ARG 11 -16.010 47.312 14.420 90 HH22 ARG 11 2HH2 ARG 11 -15.297 47.633 15.930 91 H GLN 12 H GLN 12 -9.241 41.154 12.985 92 HA GLN 12 HA GLN 12 -8.791 40.372 10.368 93 HB2 GLN 12 2HB GLN 12 -7.064 41.243 11.844 94 HB3 GLN 12 1HB GLN 12 -7.148 39.792 12.822 95 HG2 GLN 12 2HG GLN 12 -6.368 38.471 10.886 96 HG3 GLN 12 1HG GLN 12 -6.216 39.966 9.963 97 HE21 GLN 12 1HE2 GLN 12 -5.275 41.472 12.305 98 HE22 GLN 12 2HE2 GLN 12 -3.651 40.955 12.544 99 H ARG 13 H ARG 13 -9.194 38.320 13.242 100 HA ARG 13 HA ARG 13 -8.680 35.957 11.797 101 HB2 ARG 13 2HB ARG 13 -9.136 36.544 14.504 102 HB3 ARG 13 1HB ARG 13 -10.413 35.420 14.056 103 HG2 ARG 13 2HG ARG 13 -7.461 34.942 13.626 104 HG3 ARG 13 1HG ARG 13 -8.419 34.260 14.939 105 HD2 ARG 13 2HD ARG 13 -9.733 32.981 13.403 106 HD3 ARG 13 1HD ARG 13 -9.045 33.817 12.016 107 HE ARG 13 HE ARG 13 -6.984 32.586 13.445 108 HH11 ARG 13 1HH1 ARG 13 -9.786 31.610 11.519 109 HH12 ARG 13 2HH1 ARG 13 -9.050 30.235 10.854 110 HH21 ARG 13 1HH2 ARG 13 -5.943 30.673 12.533 111 HH22 ARG 13 2HH2 ARG 13 -6.801 29.669 11.482 112 H LEU 14 H LEU 14 -11.675 37.745 12.366 113 HA LEU 14 HA LEU 14 -13.304 35.785 11.212 114 HB2 LEU 14 2HB LEU 14 -13.497 38.524 12.055 115 HB3 LEU 14 1HB LEU 14 -14.721 38.029 10.904 116 HG LEU 14 HG LEU 14 -15.307 36.183 12.564 117 HD11 LEU 14 1HD1 LEU 14 -13.515 37.752 14.402 118 HD12 LEU 14 2HD1 LEU 14 -13.251 36.108 13.824 119 HD13 LEU 14 3HD1 LEU 14 -14.615 36.461 14.886 120 HD21 LEU 14 3HD2 LEU 14 -16.546 37.671 14.078 121 HD22 LEU 14 1HD2 LEU 14 -16.678 38.142 12.384 122 HD23 LEU 14 2HD2 LEU 14 -15.611 39.034 13.463 123 H ALA 15 H ALA 15 -11.338 38.322 10.043 124 HA ALA 15 HA ALA 15 -12.509 38.703 7.514 125 HB1 ALA 15 1HB ALA 15 -9.680 39.307 8.357 126 HB2 ALA 15 2HB ALA 15 -11.061 40.385 8.568 127 HB3 ALA 15 3HB ALA 15 -10.515 39.958 6.945 128 H GLU 16 H GLU 16 -10.384 36.346 8.751 129 HA GLU 16 HA GLU 16 -8.839 35.470 6.654 130 HB2 GLU 16 2HB GLU 16 -10.165 34.027 8.899 131 HB3 GLU 16 1HB GLU 16 -9.161 33.169 7.740 132 HG2 GLU 16 2HG GLU 16 -8.288 35.552 9.284 133 HG3 GLU 16 1HG GLU 16 -8.003 33.897 9.831 134 H LEU 17 H LEU 17 -12.195 35.008 7.058 135 HA LEU 17 HA LEU 17 -12.481 32.929 5.150 136 HB2 LEU 17 2HB LEU 17 -14.052 33.344 6.968 137 HB3 LEU 17 1HB LEU 17 -14.485 34.881 6.283 138 HG LEU 17 HG LEU 17 -16.202 33.058 5.989 139 HD11 LEU 17 1HD1 LEU 17 -16.307 35.008 4.613 140 HD12 LEU 17 2HD1 LEU 17 -16.690 33.594 3.612 141 HD13 LEU 17 3HD1 LEU 17 -15.092 34.354 3.534 142 HD21 LEU 17 3HD2 LEU 17 -14.678 31.204 5.544 143 HD22 LEU 17 1HD2 LEU 17 -14.186 31.963 4.032 144 HD23 LEU 17 2HD2 LEU 17 -15.842 31.393 4.235 145 H GLN 18 H GLN 18 -13.280 36.371 5.087 146 HA GLN 18 HA GLN 18 -13.979 36.497 2.300 147 HB2 GLN 18 2HB GLN 18 -14.933 37.999 3.968 148 HB3 GLN 18 1HB GLN 18 -13.334 38.654 4.302 149 HG2 GLN 18 2HG GLN 18 -13.253 39.241 1.850 150 HG3 GLN 18 1HG GLN 18 -14.971 38.901 1.820 151 HE21 GLN 18 1HE2 GLN 18 -15.399 41.053 1.298 152 HE22 GLN 18 2HE2 GLN 18 -15.378 42.310 2.478 153 H ALA 19 H ALA 19 -11.173 37.214 4.198 154 HA ALA 19 HA ALA 19 -9.911 38.632 2.040 155 HB1 ALA 19 1HB ALA 19 -9.851 39.454 4.289 156 HB2 ALA 19 2HB ALA 19 -8.204 39.142 3.687 157 HB3 ALA 19 3HB ALA 19 -8.997 38.008 4.800 158 H LYS 20 H LYS 20 -10.141 35.393 2.567 159 HA LYS 20 HA LYS 20 -7.359 34.890 2.037 160 HB2 LYS 20 2HB LYS 20 -7.906 32.492 1.905 161 HB3 LYS 20 1HB LYS 20 -8.516 33.214 3.376 162 HG2 LYS 20 2HG LYS 20 -10.784 33.239 2.397 163 HG3 LYS 20 1HG LYS 20 -10.139 32.467 0.943 164 HD2 LYS 20 2HD LYS 20 -9.379 30.565 2.293 165 HD3 LYS 20 1HD LYS 20 -10.020 31.331 3.740 166 HE2 LYS 20 2HE LYS 20 -11.564 29.643 2.989 167 HE3 LYS 20 1HE LYS 20 -12.282 31.225 2.728 168 HZ1 LYS 20 3HZ LYS 20 -10.904 29.675 0.597 169 HZ2 LYS 20 1HZ LYS 20 -11.832 31.063 0.409 170 HZ3 LYS 20 2HZ LYS 20 -12.558 29.622 0.877 171 H HIS 21 H HIS 21 -6.564 35.430 0.223 172 HA HIS 21 HA HIS 21 -8.004 34.742 -2.242 173 HB2 HIS 21 2HB HIS 21 -6.367 37.227 -1.652 174 HB3 HIS 21 1HB HIS 21 -6.901 36.767 -3.263 175 HD1 HIS 21 1HD HIS 21 -7.957 38.620 -0.299 176 HD2 HIS 21 2HD HIS 21 -9.810 36.788 -3.530 177 HE1 HIS 21 1HE HIS 21 -10.261 39.578 -0.378 178 HE2 HIS 21 2HE HIS 21 -11.100 38.799 -2.597 179 H GLY 22 H GLY 22 -6.028 33.401 -0.596 180 HA2 GLY 22 2HA GLY 22 -4.162 32.755 -2.726 181 HA3 GLY 22 1HA GLY 22 -3.483 33.224 -1.168 182 H ASP 23 H ASP 23 -6.341 31.341 -1.985 183 HA ASP 23 HA ASP 23 -5.178 29.133 -0.479 184 HB2 ASP 23 2HB ASP 23 -7.342 28.577 0.467 185 HB3 ASP 23 1HB ASP 23 -7.013 30.266 0.797 186 HA PRO 24 HA PRO 24 -5.796 27.178 -4.455 187 HB2 PRO 24 2HB PRO 24 -4.978 24.706 -3.085 188 HB3 PRO 24 1HB PRO 24 -4.208 25.553 -4.432 189 HG2 PRO 24 2HG PRO 24 -3.127 25.526 -1.970 190 HG3 PRO 24 1HG PRO 24 -2.986 26.926 -3.050 191 HD2 PRO 24 2HD PRO 24 -4.802 26.518 -0.711 192 HD3 PRO 24 1HD PRO 24 -3.894 27.959 -1.233 193 H GLY 25 H GLY 25 -7.194 26.053 -1.447 194 HA2 GLY 25 2HA GLY 25 -9.224 25.106 -0.995 195 HA3 GLY 25 1HA GLY 25 -9.674 25.385 -2.668 196 H ASP 26 H ASP 26 -10.027 23.650 -3.861 197 HA ASP 26 HA ASP 26 -9.755 21.034 -2.931 198 HB2 ASP 26 2HB ASP 26 -11.325 21.562 -4.716 199 HB3 ASP 26 1HB ASP 26 -9.999 22.002 -5.784 200 H ALA 27 H ALA 27 -7.603 22.967 -4.873 201 HA ALA 27 HA ALA 27 -5.828 20.909 -5.617 202 HB1 ALA 27 1HB ALA 27 -4.241 22.694 -6.142 203 HB2 ALA 27 2HB ALA 27 -5.241 23.845 -5.251 204 HB3 ALA 27 3HB ALA 27 -5.859 23.096 -6.722 205 H ALA 28 H ALA 28 -6.161 22.693 -2.636 206 HA ALA 28 HA ALA 28 -3.601 21.876 -1.664 207 HB1 ALA 28 1HB ALA 28 -4.290 22.952 0.439 208 HB2 ALA 28 2HB ALA 28 -5.907 23.192 -0.223 209 HB3 ALA 28 3HB ALA 28 -4.527 24.021 -0.942 210 H GLN 29 H GLN 29 -6.989 21.067 -1.199 211 HA GLN 29 HA GLN 29 -6.635 19.143 0.818 212 HB2 GLN 29 2HB GLN 29 -8.868 19.409 -1.203 213 HB3 GLN 29 1HB GLN 29 -8.923 18.386 0.222 214 HG2 GLN 29 2HG GLN 29 -8.514 21.354 0.407 215 HG3 GLN 29 1HG GLN 29 -10.112 20.636 0.307 216 HE21 GLN 29 1HE2 GLN 29 -7.571 18.986 2.136 217 HE22 GLN 29 2HE2 GLN 29 -8.210 19.379 3.669 218 H GLN 30 H GLN 30 -6.826 18.901 -2.677 219 HA GLN 30 HA GLN 30 -6.836 16.130 -2.978 220 HB2 GLN 30 2HB GLN 30 -7.228 17.868 -4.757 221 HB3 GLN 30 1HB GLN 30 -5.489 18.116 -4.809 222 HG2 GLN 30 2HG GLN 30 -6.112 16.671 -6.605 223 HG3 GLN 30 1HG GLN 30 -5.223 15.725 -5.412 224 HE21 GLN 30 1HE2 GLN 30 -6.147 13.786 -6.068 225 HE22 GLN 30 2HE2 GLN 30 -7.796 13.409 -5.744 226 H GLU 31 H GLU 31 -4.208 18.407 -2.613 227 HA GLU 31 HA GLU 31 -2.090 16.645 -3.137 228 HB2 GLU 31 2HB GLU 31 -1.926 19.092 -3.212 229 HB3 GLU 31 1HB GLU 31 -2.113 19.152 -1.470 230 HG2 GLU 31 2HG GLU 31 -0.030 18.095 -1.121 231 HG3 GLU 31 1HG GLU 31 0.122 17.700 -2.835 232 H ALA 32 H ALA 32 -3.667 17.611 -0.145 233 HA ALA 32 HA ALA 32 -1.990 16.085 1.539 234 HB1 ALA 32 1HB ALA 32 -4.800 17.089 2.018 235 HB2 ALA 32 2HB ALA 32 -3.310 17.966 2.373 236 HB3 ALA 32 3HB ALA 32 -3.694 16.489 3.253 237 H LYS 33 H LYS 33 -4.950 15.482 -0.177 238 HA LYS 33 HA LYS 33 -5.593 12.915 0.935 239 HB2 LYS 33 2HB LYS 33 -7.064 14.585 -0.446 240 HB3 LYS 33 1HB LYS 33 -6.295 13.865 -1.848 241 HG2 LYS 33 2HG LYS 33 -8.416 12.821 -1.523 242 HG3 LYS 33 1HG LYS 33 -7.166 11.646 -1.090 243 HD2 LYS 33 2HD LYS 33 -7.442 12.249 1.277 244 HD3 LYS 33 1HD LYS 33 -8.706 13.389 0.827 245 HE2 LYS 33 2HE LYS 33 -10.092 11.578 0.043 246 HE3 LYS 33 1HE LYS 33 -8.792 10.421 0.346 247 HZ1 LYS 33 3HZ LYS 33 -10.276 11.995 2.398 248 HZ2 LYS 33 1HZ LYS 33 -8.867 11.113 2.692 249 HZ3 LYS 33 2HZ LYS 33 -10.265 10.317 2.185 250 H HIS 34 H HIS 34 -3.469 14.074 -1.535 251 HA HIS 34 HA HIS 34 -3.003 11.590 -2.796 252 HB2 HIS 34 2HB HIS 34 -2.470 13.762 -3.885 253 HB3 HIS 34 1HB HIS 34 -1.212 14.027 -2.693 254 HD1 HIS 34 1HD HIS 34 0.954 13.725 -3.833 255 HD2 HIS 34 2HD HIS 34 -1.819 10.907 -5.066 256 HE1 HIS 34 1HE HIS 34 2.185 12.229 -5.416 257 HE2 HIS 34 2HE HIS 34 0.597 10.300 -5.637 258 H ARG 35 H ARG 35 -1.722 13.113 0.054 259 HA ARG 35 HA ARG 35 0.471 11.347 0.467 260 HB2 ARG 35 2HB ARG 35 -1.151 13.114 2.271 261 HB3 ARG 35 1HB ARG 35 -0.118 11.904 2.998 262 HG2 ARG 35 2HG ARG 35 0.905 14.148 2.906 263 HG3 ARG 35 1HG ARG 35 1.842 12.931 2.056 264 HD2 ARG 35 2HD ARG 35 1.112 13.764 -0.068 265 HD3 ARG 35 1HD ARG 35 -0.065 14.832 0.697 266 HE ARG 35 HE ARG 35 1.729 16.108 1.580 267 HH11 ARG 35 1HH1 ARG 35 2.756 13.873 -1.029 268 HH12 ARG 35 2HH1 ARG 35 4.144 14.772 -1.383 269 HH21 ARG 35 1HH2 ARG 35 3.619 17.292 0.998 270 HH22 ARG 35 2HH2 ARG 35 4.659 16.733 -0.231 271 H GLU 36 H GLU 36 -2.916 11.309 1.459 272 HA GLU 36 HA GLU 36 -2.980 8.888 2.850 273 HB2 GLU 36 2HB GLU 36 -5.103 10.095 1.080 274 HB3 GLU 36 1HB GLU 36 -5.365 8.736 2.160 275 HG2 GLU 36 2HG GLU 36 -4.654 10.396 4.014 276 HG3 GLU 36 1HG GLU 36 -4.899 11.611 2.774 277 H ALA 37 H ALA 37 -3.486 9.614 -0.529 278 HA ALA 37 HA ALA 37 -4.035 7.067 -1.466 279 HB1 ALA 37 1HB ALA 37 -4.423 9.119 -2.758 280 HB2 ALA 37 2HB ALA 37 -3.499 7.926 -3.675 281 HB3 ALA 37 3HB ALA 37 -2.681 9.309 -2.954 282 H GLU 38 H GLU 38 -0.898 8.776 -1.496 283 HA GLU 38 HA GLU 38 0.532 6.782 -2.766 284 HB2 GLU 38 2HB GLU 38 1.480 8.906 -0.887 285 HB3 GLU 38 1HB GLU 38 2.575 7.799 -1.697 286 HG2 GLU 38 2HG GLU 38 0.699 9.748 -3.001 287 HG3 GLU 38 1HG GLU 38 2.459 9.846 -2.913 288 H MET 39 H MET 39 0.155 7.179 0.711 289 HA MET 39 HA MET 39 1.960 5.077 1.303 290 HB2 MET 39 2HB MET 39 1.139 5.143 3.615 291 HB3 MET 39 1HB MET 39 1.452 6.755 3.011 292 HG2 MET 39 2HG MET 39 -0.919 7.142 2.724 293 HG3 MET 39 1HG MET 39 -1.263 5.479 3.199 294 HE1 MET 39 3HE MET 39 -2.653 8.061 4.603 295 HE2 MET 39 1HE MET 39 -2.625 7.494 6.270 296 HE3 MET 39 2HE MET 39 -3.016 6.373 4.963 297 H ARG 40 H ARG 40 -1.478 5.108 0.769 298 HA ARG 40 HA ARG 40 -1.797 2.348 1.476 299 HB2 ARG 40 2HB ARG 40 -3.642 4.275 0.075 300 HB3 ARG 40 1HB ARG 40 -4.088 2.631 0.522 301 HG2 ARG 40 2HG ARG 40 -3.733 3.134 2.862 302 HG3 ARG 40 1HG ARG 40 -3.172 4.750 2.448 303 HD2 ARG 40 2HD ARG 40 -5.370 5.304 1.572 304 HD3 ARG 40 1HD ARG 40 -5.935 3.670 1.925 305 HE ARG 40 HE ARG 40 -5.409 4.189 4.291 306 HH11 ARG 40 1HH1 ARG 40 -6.312 6.775 2.035 307 HH12 ARG 40 2HH1 ARG 40 -6.822 7.860 3.243 308 HH21 ARG 40 1HH2 ARG 40 -6.194 5.674 5.981 309 HH22 ARG 40 2HH2 ARG 40 -6.832 7.176 5.513 310 H ASN 41 H ASN 41 -1.539 4.174 -1.488 311 HA ASN 41 HA ASN 41 -2.205 2.194 -3.319 312 HB2 ASN 41 2HB ASN 41 -2.205 4.565 -3.878 313 HB3 ASN 41 1HB ASN 41 -0.459 4.623 -3.707 314 HD21 ASN 41 1HD2 ASN 41 0.824 3.929 -5.408 315 HD22 ASN 41 2HD2 ASN 41 0.154 3.462 -6.929 316 H SER 42 H SER 42 0.874 2.802 -1.752 317 HA SER 42 HA SER 42 2.530 1.534 -3.585 318 HB2 SER 42 2HB SER 42 4.006 1.237 -1.526 319 HB3 SER 42 1HB SER 42 3.523 2.885 -1.932 320 HG SER 42 HG SER 42 3.286 2.288 0.303 321 H ILE 43 H ILE 43 0.883 0.203 -0.738 322 HA ILE 43 HA ILE 43 1.829 -2.421 -1.367 323 HB ILE 43 HB ILE 43 0.375 -3.282 0.437 324 HG12 ILE 43 2HG1 ILE 43 -0.469 -0.391 0.834 325 HG13 ILE 43 1HG1 ILE 43 -1.497 -1.663 0.188 326 HG21 ILE 43 1HG2 ILE 43 2.605 -2.531 0.970 327 HG22 ILE 43 2HG2 ILE 43 1.512 -2.150 2.301 328 HG23 ILE 43 3HG2 ILE 43 2.027 -0.879 1.190 329 HD11 ILE 43 3HD1 ILE 43 -0.310 -1.584 2.949 330 HD12 ILE 43 1HD1 ILE 43 -1.360 -2.848 2.306 331 HD13 ILE 43 2HD1 ILE 43 -1.978 -1.208 2.520 332 H LEU 44 H LEU 44 -1.122 -0.663 -1.908 333 HA LEU 44 HA LEU 44 -2.743 -2.761 -2.808 334 HB2 LEU 44 2HB LEU 44 -2.759 0.133 -3.637 335 HB3 LEU 44 1HB LEU 44 -4.033 -1.011 -3.996 336 HG LEU 44 HG LEU 44 -3.212 -0.141 -1.224 337 HD11 LEU 44 1HD1 LEU 44 -4.268 1.660 -2.453 338 HD12 LEU 44 2HD1 LEU 44 -5.337 1.051 -1.194 339 HD13 LEU 44 3HD1 LEU 44 -5.613 0.603 -2.877 340 HD21 LEU 44 3HD2 LEU 44 -5.496 -1.874 -2.170 341 HD22 LEU 44 1HD2 LEU 44 -5.272 -1.285 -0.523 342 HD23 LEU 44 2HD2 LEU 44 -4.103 -2.397 -1.216 343 H ALA 45 H ALA 45 -0.575 -0.640 -4.618 344 HA ALA 45 HA ALA 45 -1.075 -1.719 -7.157 345 HB1 ALA 45 1HB ALA 45 -0.008 0.463 -6.799 346 HB2 ALA 45 2HB ALA 45 0.945 -0.571 -7.867 347 HB3 ALA 45 3HB ALA 45 1.430 -0.354 -6.187 348 H GLN 46 H GLN 46 0.724 -3.030 -4.549 349 HA GLN 46 HA GLN 46 2.242 -4.760 -6.336 350 HB2 GLN 46 2HB GLN 46 2.362 -4.460 -3.337 351 HB3 GLN 46 1HB GLN 46 3.326 -5.608 -4.251 352 HG2 GLN 46 2HG GLN 46 3.423 -2.615 -4.587 353 HG3 GLN 46 1HG GLN 46 4.551 -3.554 -3.620 354 HE21 GLN 46 1HE2 GLN 46 6.313 -2.913 -4.834 355 HE22 GLN 46 2HE2 GLN 46 6.616 -3.476 -6.422 356 H VAL 47 H VAL 47 -0.516 -4.869 -4.257 357 HA VAL 47 HA VAL 47 -0.599 -7.796 -4.460 358 HB VAL 47 HB VAL 47 -2.431 -7.770 -2.853 359 HG11 VAL 47 1HG1 VAL 47 -0.166 -5.997 -1.963 360 HG12 VAL 47 2HG1 VAL 47 -0.157 -7.758 -1.988 361 HG13 VAL 47 3HG1 VAL 47 -1.246 -6.897 -0.898 362 HG21 VAL 47 3HG2 VAL 47 -3.193 -5.680 -1.781 363 HG22 VAL 47 1HG2 VAL 47 -3.551 -5.695 -3.510 364 HG23 VAL 47 2HG2 VAL 47 -2.189 -4.759 -2.900 365 H LEU 48 H LEU 48 -2.254 -5.014 -5.656 366 HA LEU 48 HA LEU 48 -4.203 -6.682 -7.016 367 HB2 LEU 48 2HB LEU 48 -3.732 -3.705 -7.061 368 HB3 LEU 48 1HB LEU 48 -5.015 -4.531 -7.916 369 HG LEU 48 HG LEU 48 -4.734 -4.455 -4.897 370 HD11 LEU 48 1HD1 LEU 48 -6.585 -2.872 -4.953 371 HD12 LEU 48 2HD1 LEU 48 -6.532 -2.865 -6.716 372 HD13 LEU 48 3HD1 LEU 48 -5.171 -2.233 -5.790 373 HD21 LEU 48 3HD2 LEU 48 -6.970 -5.350 -6.697 374 HD22 LEU 48 1HD2 LEU 48 -7.053 -5.244 -4.938 375 HD23 LEU 48 2HD2 LEU 48 -5.950 -6.391 -5.694 376 H ASP 49 H ASP 49 -3.826 -7.397 -8.979 377 HA ASP 49 HA ASP 49 -1.577 -6.838 -10.533 378 HB2 ASP 49 2HB ASP 49 -3.114 -8.825 -10.802 379 HB3 ASP 49 1HB ASP 49 -4.325 -7.730 -11.441 380 H GLN 50 H GLN 50 -1.585 -5.641 -12.527 381 HA GLN 50 HA GLN 50 -2.347 -2.957 -12.249 382 HB2 GLN 50 2HB GLN 50 -0.536 -3.749 -13.745 383 HB3 GLN 50 1HB GLN 50 -1.755 -4.401 -14.833 384 HG2 GLN 50 2HG GLN 50 -2.626 -2.113 -15.159 385 HG3 GLN 50 1HG GLN 50 -1.320 -1.502 -14.145 386 HE21 GLN 50 1HE2 GLN 50 -2.165 -2.842 -17.198 387 HE22 GLN 50 2HE2 GLN 50 -0.667 -2.554 -17.983 388 H SER 51 H SER 51 -3.982 -5.648 -13.769 389 HA SER 51 HA SER 51 -5.927 -4.197 -15.200 390 HB2 SER 51 2HB SER 51 -7.131 -6.409 -15.159 391 HB3 SER 51 1HB SER 51 -5.489 -6.486 -15.798 392 HG SER 51 HG SER 51 -4.796 -7.427 -13.933 393 H ALA 52 H ALA 52 -5.914 -5.720 -12.031 394 HA ALA 52 HA ALA 52 -8.577 -5.032 -11.340 395 HB1 ALA 52 1HB ALA 52 -7.415 -6.898 -10.292 396 HB2 ALA 52 2HB ALA 52 -7.978 -5.738 -9.089 397 HB3 ALA 52 3HB ALA 52 -6.275 -5.776 -9.551 398 H ARG 53 H ARG 53 -5.429 -3.570 -10.745 399 HA ARG 53 HA ARG 53 -6.323 -1.582 -8.963 400 HB2 ARG 53 2HB ARG 53 -3.938 -2.292 -9.478 401 HB3 ARG 53 1HB ARG 53 -4.069 -1.345 -10.930 402 HG2 ARG 53 2HG ARG 53 -2.954 -0.042 -9.295 403 HG3 ARG 53 1HG ARG 53 -4.531 0.678 -9.628 404 HD2 ARG 53 2HD ARG 53 -5.326 -0.634 -7.490 405 HD3 ARG 53 1HD ARG 53 -3.620 -0.857 -7.206 406 HE ARG 53 HE ARG 53 -3.515 1.681 -7.387 407 HH11 ARG 53 1HH1 ARG 53 -6.267 -0.069 -5.888 408 HH12 ARG 53 2HH1 ARG 53 -6.651 1.263 -4.862 409 HH21 ARG 53 1HH2 ARG 53 -4.123 3.400 -5.894 410 HH22 ARG 53 2HH2 ARG 53 -5.465 3.156 -4.850 411 H ALA 54 H ALA 54 -5.905 -1.669 -12.426 412 HA ALA 54 HA ALA 54 -6.799 0.936 -13.047 413 HB1 ALA 54 1HB ALA 54 -7.077 -1.557 -14.734 414 HB2 ALA 54 2HB ALA 54 -5.666 -0.502 -14.699 415 HB3 ALA 54 3HB ALA 54 -7.205 0.101 -15.314 416 H ARG 55 H ARG 55 -8.592 -2.152 -12.940 417 HA ARG 55 HA ARG 55 -11.146 -1.195 -13.497 418 HB2 ARG 55 2HB ARG 55 -10.333 -3.579 -13.355 419 HB3 ARG 55 1HB ARG 55 -10.437 -3.419 -11.608 420 HG2 ARG 55 2HG ARG 55 -12.433 -4.483 -12.459 421 HG3 ARG 55 1HG ARG 55 -12.778 -2.855 -11.820 422 HD2 ARG 55 2HD ARG 55 -13.923 -3.342 -13.959 423 HD3 ARG 55 1HD ARG 55 -12.911 -1.917 -14.001 424 HE ARG 55 HE ARG 55 -11.558 -4.302 -14.903 425 HH11 ARG 55 1HH1 ARG 55 -13.655 -1.655 -15.973 426 HH12 ARG 55 2HH1 ARG 55 -13.149 -1.752 -17.587 427 HH21 ARG 55 1HH2 ARG 55 -10.919 -4.458 -16.976 428 HH22 ARG 55 2HH2 ARG 55 -11.492 -3.446 -18.235 429 H LEU 56 H LEU 56 -9.400 -1.378 -10.458 430 HA LEU 56 HA LEU 56 -11.582 -0.575 -8.878 431 HB2 LEU 56 2HB LEU 56 -9.575 -1.805 -8.055 432 HB3 LEU 56 1HB LEU 56 -8.650 -0.334 -8.234 433 HG LEU 56 HG LEU 56 -9.936 0.761 -6.514 434 HD11 LEU 56 1HD1 LEU 56 -11.647 -0.507 -5.266 435 HD12 LEU 56 2HD1 LEU 56 -11.534 -1.803 -6.458 436 HD13 LEU 56 3HD1 LEU 56 -12.112 -0.205 -6.935 437 HD21 LEU 56 3HD2 LEU 56 -9.086 -2.015 -5.708 438 HD22 LEU 56 1HD2 LEU 56 -9.329 -0.653 -4.616 439 HD23 LEU 56 2HD2 LEU 56 -8.040 -0.600 -5.820 440 H SER 57 H SER 57 -9.166 1.166 -10.654 441 HA SER 57 HA SER 57 -9.609 3.710 -9.506 442 HB2 SER 57 2HB SER 57 -8.624 2.895 -12.241 443 HB3 SER 57 1HB SER 57 -8.494 4.511 -11.556 444 HG SER 57 HG SER 57 -7.319 2.110 -10.535 445 H ASN 58 H ASN 58 -10.923 1.958 -12.214 446 HA ASN 58 HA ASN 58 -12.834 3.814 -13.140 447 HB2 ASN 58 2HB ASN 58 -12.871 0.787 -13.210 448 HB3 ASN 58 1HB ASN 58 -14.081 1.779 -13.995 449 HD21 ASN 58 1HD2 ASN 58 -13.581 0.903 -15.975 450 HD22 ASN 58 2HD2 ASN 58 -12.127 1.299 -16.823 451 H LEU 59 H LEU 59 -12.991 1.383 -10.601 452 HA LEU 59 HA LEU 59 -15.692 1.675 -9.918 453 HB2 LEU 59 2HB LEU 59 -13.328 0.531 -8.588 454 HB3 LEU 59 1HB LEU 59 -14.604 1.039 -7.512 455 HG LEU 59 HG LEU 59 -14.759 -1.338 -7.996 456 HD11 LEU 59 1HD1 LEU 59 -17.088 -1.445 -8.680 457 HD12 LEU 59 2HD1 LEU 59 -17.011 0.219 -9.243 458 HD13 LEU 59 3HD1 LEU 59 -16.801 -0.143 -7.529 459 HD21 LEU 59 3HD2 LEU 59 -15.153 -0.521 -10.875 460 HD22 LEU 59 1HD2 LEU 59 -15.348 -2.153 -10.234 461 HD23 LEU 59 2HD2 LEU 59 -13.760 -1.383 -10.223 462 H ALA 60 H ALA 60 -12.882 3.490 -8.962 463 HA ALA 60 HA ALA 60 -14.015 4.992 -6.868 464 HB1 ALA 60 1HB ALA 60 -11.598 4.889 -7.323 465 HB2 ALA 60 2HB ALA 60 -12.183 6.556 -7.232 466 HB3 ALA 60 3HB ALA 60 -11.870 5.813 -8.803 467 H LEU 61 H LEU 61 -14.371 5.181 -10.258 468 HA LEU 61 HA LEU 61 -15.373 7.879 -10.268 469 HB2 LEU 61 2HB LEU 61 -15.187 5.766 -12.376 470 HB3 LEU 61 1HB LEU 61 -15.752 7.403 -12.694 471 HG LEU 61 HG LEU 61 -12.979 6.576 -11.805 472 HD11 LEU 61 1HD1 LEU 61 -13.978 7.646 -14.438 473 HD12 LEU 61 2HD1 LEU 61 -13.454 5.996 -14.115 474 HD13 LEU 61 3HD1 LEU 61 -12.297 7.321 -14.025 475 HD21 LEU 61 3HD2 LEU 61 -12.375 8.934 -12.184 476 HD22 LEU 61 1HD2 LEU 61 -13.554 8.758 -10.884 477 HD23 LEU 61 2HD2 LEU 61 -14.073 9.311 -12.476 478 H VAL 62 H VAL 62 -16.649 4.795 -9.642 479 HA VAL 62 HA VAL 62 -19.297 5.866 -10.224 480 HB VAL 62 HB VAL 62 -20.211 3.548 -10.440 481 HG11 VAL 62 1HG1 VAL 62 -19.650 4.832 -12.423 482 HG12 VAL 62 2HG1 VAL 62 -19.312 3.116 -12.678 483 HG13 VAL 62 3HG1 VAL 62 -17.990 4.233 -12.355 484 HG21 VAL 62 3HG2 VAL 62 -17.314 2.729 -10.460 485 HG22 VAL 62 1HG2 VAL 62 -18.674 1.673 -10.826 486 HG23 VAL 62 2HG2 VAL 62 -18.475 2.322 -9.194 487 H LYS 63 H LYS 63 -17.590 3.816 -7.849 488 HA LYS 63 HA LYS 63 -19.434 4.856 -5.842 489 HB2 LYS 63 2HB LYS 63 -18.752 1.900 -5.998 490 HB3 LYS 63 1HB LYS 63 -19.784 2.679 -4.819 491 HG2 LYS 63 2HG LYS 63 -21.386 3.238 -6.602 492 HG3 LYS 63 1HG LYS 63 -20.367 2.391 -7.761 493 HD2 LYS 63 2HD LYS 63 -22.096 0.904 -7.166 494 HD3 LYS 63 1HD LYS 63 -20.660 0.325 -6.324 495 HE2 LYS 63 2HE LYS 63 -22.578 0.228 -4.844 496 HE3 LYS 63 1HE LYS 63 -21.470 1.473 -4.271 497 HZ1 LYS 63 3HZ LYS 63 -22.900 3.131 -5.347 498 HZ2 LYS 63 1HZ LYS 63 -23.747 2.245 -4.198 499 HZ3 LYS 63 2HZ LYS 63 -23.952 1.935 -5.842 500 HA PRO 64 HA PRO 64 -15.015 5.260 -4.651 501 HB2 PRO 64 2HB PRO 64 -16.171 7.351 -2.901 502 HB3 PRO 64 1HB PRO 64 -14.839 7.474 -4.056 503 HG2 PRO 64 2HG PRO 64 -17.214 8.586 -4.569 504 HG3 PRO 64 1HG PRO 64 -16.257 7.825 -5.854 505 HD2 PRO 64 2HD PRO 64 -18.638 6.762 -4.382 506 HD3 PRO 64 1HD PRO 64 -18.244 6.656 -6.110 507 H GLU 65 H GLU 65 -17.841 5.314 -2.602 508 HA GLU 65 HA GLU 65 -16.783 4.702 -0.128 509 HB2 GLU 65 2HB GLU 65 -19.383 3.669 -1.283 510 HB3 GLU 65 1HB GLU 65 -18.951 3.617 0.410 511 HG2 GLU 65 2HG GLU 65 -20.470 5.415 0.081 512 HG3 GLU 65 1HG GLU 65 -18.885 6.103 0.408 513 H LYS 66 H LYS 66 -17.786 2.448 -2.665 514 HA LYS 66 HA LYS 66 -17.016 0.195 -1.084 515 HB2 LYS 66 2HB LYS 66 -17.616 0.133 -4.043 516 HB3 LYS 66 1HB LYS 66 -17.687 -1.206 -2.911 517 HG2 LYS 66 2HG LYS 66 -19.566 1.137 -3.114 518 HG3 LYS 66 1HG LYS 66 -19.914 -0.553 -3.432 519 HD2 LYS 66 2HD LYS 66 -19.246 0.640 -0.736 520 HD3 LYS 66 1HD LYS 66 -20.864 0.235 -1.285 521 HE2 LYS 66 2HE LYS 66 -20.150 -2.156 -1.428 522 HE3 LYS 66 1HE LYS 66 -18.583 -1.681 -0.768 523 HZ1 LYS 66 3HZ LYS 66 -19.755 -0.860 1.226 524 HZ2 LYS 66 1HZ LYS 66 -20.012 -2.505 1.020 525 HZ3 LYS 66 2HZ LYS 66 -21.209 -1.405 0.609 526 H THR 67 H THR 67 -15.530 2.145 -3.537 527 HA THR 67 HA THR 67 -13.327 0.541 -4.227 528 HB THR 67 HB THR 67 -13.318 3.524 -3.824 529 HG1 THR 67 1HG THR 67 -15.068 2.768 -5.310 530 HG21 THR 67 3HG2 THR 67 -11.607 3.534 -5.604 531 HG22 THR 67 1HG2 THR 67 -11.694 1.776 -5.681 532 HG23 THR 67 2HG2 THR 67 -11.105 2.564 -4.220 533 H LYS 68 H LYS 68 -13.737 3.049 -1.770 534 HA LYS 68 HA LYS 68 -11.272 2.815 -0.493 535 HB2 LYS 68 2HB LYS 68 -13.961 3.807 0.441 536 HB3 LYS 68 1HB LYS 68 -12.496 3.954 1.408 537 HG2 LYS 68 2HG LYS 68 -11.515 5.459 -0.099 538 HG3 LYS 68 1HG LYS 68 -12.632 5.025 -1.389 539 HD2 LYS 68 2HD LYS 68 -13.113 7.249 -0.444 540 HD3 LYS 68 1HD LYS 68 -14.452 6.126 -0.236 541 HE2 LYS 68 2HE LYS 68 -13.794 5.769 2.085 542 HE3 LYS 68 1HE LYS 68 -12.421 6.856 1.875 543 HZ1 LYS 68 3HZ LYS 68 -14.332 7.928 2.932 544 HZ2 LYS 68 1HZ LYS 68 -15.269 7.656 1.559 545 HZ3 LYS 68 2HZ LYS 68 -13.932 8.669 1.479 546 H ALA 69 H ALA 69 -14.311 1.126 -0.043 547 HA ALA 69 HA ALA 69 -13.655 -0.190 2.359 548 HB1 ALA 69 1HB ALA 69 -15.532 -1.659 1.885 549 HB2 ALA 69 2HB ALA 69 -15.570 -1.093 0.214 550 HB3 ALA 69 3HB ALA 69 -15.953 0.017 1.530 551 H VAL 70 H VAL 70 -13.408 -1.308 -1.046 552 HA VAL 70 HA VAL 70 -12.258 -3.766 -0.222 553 HB VAL 70 HB VAL 70 -11.653 -4.219 -2.559 554 HG11 VAL 70 1HG1 VAL 70 -13.936 -4.667 -1.855 555 HG12 VAL 70 2HG1 VAL 70 -13.848 -4.209 -3.554 556 HG13 VAL 70 3HG1 VAL 70 -14.399 -3.039 -2.358 557 HG21 VAL 70 3HG2 VAL 70 -12.630 -1.436 -3.130 558 HG22 VAL 70 1HG2 VAL 70 -12.198 -2.644 -4.340 559 HG23 VAL 70 2HG2 VAL 70 -10.965 -2.004 -3.250 560 H GLU 71 H GLU 71 -10.853 -0.683 -1.207 561 HA GLU 71 HA GLU 71 -8.189 -1.535 -1.235 562 HB2 GLU 71 2HB GLU 71 -9.408 1.159 -0.610 563 HB3 GLU 71 1HB GLU 71 -7.653 0.912 -0.656 564 HG2 GLU 71 2HG GLU 71 -8.007 0.136 -3.022 565 HG3 GLU 71 1HG GLU 71 -9.680 0.672 -2.859 566 H ASN 72 H ASN 72 -10.190 -0.284 1.412 567 HA ASN 72 HA ASN 72 -8.380 -0.320 3.503 568 HB2 ASN 72 2HB ASN 72 -10.761 0.586 3.343 569 HB3 ASN 72 1HB ASN 72 -11.302 -1.057 3.623 570 HD21 ASN 72 1HD2 ASN 72 -11.774 1.318 5.148 571 HD22 ASN 72 2HD2 ASN 72 -11.132 1.003 6.719 572 H TYR 73 H TYR 73 -10.451 -2.848 2.159 573 HA TYR 73 HA TYR 73 -9.860 -4.838 4.048 574 HB2 TYR 73 2HB TYR 73 -11.840 -4.978 2.616 575 HB3 TYR 73 1HB TYR 73 -10.816 -5.129 1.194 576 HD1 TYR 73 1HD TYR 73 -11.457 -6.803 4.466 577 HD2 TYR 73 2HD TYR 73 -10.348 -7.261 0.387 578 HE1 TYR 73 1HE TYR 73 -11.465 -9.243 4.741 579 HE2 TYR 73 2HE TYR 73 -10.347 -9.698 0.651 580 HH TYR 73 HH TYR 73 -11.639 -11.175 3.479 581 H LEU 74 H LEU 74 -8.462 -4.208 0.826 582 HA LEU 74 HA LEU 74 -6.638 -6.355 0.959 583 HB2 LEU 74 2HB LEU 74 -6.723 -3.898 -0.746 584 HB3 LEU 74 1HB LEU 74 -5.262 -4.855 -0.701 585 HG LEU 74 HG LEU 74 -6.577 -5.420 -2.651 586 HD11 LEU 74 1HD1 LEU 74 -6.754 -7.827 -2.391 587 HD12 LEU 74 2HD1 LEU 74 -6.610 -7.660 -0.643 588 HD13 LEU 74 3HD1 LEU 74 -5.268 -7.192 -1.688 589 HD21 LEU 74 3HD2 LEU 74 -8.809 -4.850 -1.845 590 HD22 LEU 74 1HD2 LEU 74 -8.770 -6.224 -0.744 591 HD23 LEU 74 2HD2 LEU 74 -8.774 -6.492 -2.488 592 H ILE 75 H ILE 75 -6.331 -3.040 2.032 593 HA ILE 75 HA ILE 75 -3.619 -3.009 2.726 594 HB ILE 75 HB ILE 75 -5.964 -1.652 4.100 595 HG12 ILE 75 2HG1 ILE 75 -3.961 -0.548 2.116 596 HG13 ILE 75 1HG1 ILE 75 -5.597 -1.060 1.728 597 HG21 ILE 75 1HG2 ILE 75 -4.089 -1.744 5.650 598 HG22 ILE 75 2HG2 ILE 75 -4.339 -0.092 5.080 599 HG23 ILE 75 3HG2 ILE 75 -3.019 -1.059 4.427 600 HD11 ILE 75 3HD1 ILE 75 -5.448 1.346 1.932 601 HD12 ILE 75 1HD1 ILE 75 -4.835 1.179 3.577 602 HD13 ILE 75 2HD1 ILE 75 -6.481 0.678 3.197 603 H GLN 76 H GLN 76 -6.393 -4.189 4.496 604 HA GLN 76 HA GLN 76 -4.965 -4.941 6.863 605 HB2 GLN 76 2HB GLN 76 -7.342 -4.371 6.870 606 HB3 GLN 76 1HB GLN 76 -7.694 -5.740 5.829 607 HG2 GLN 76 2HG GLN 76 -8.350 -6.253 8.078 608 HG3 GLN 76 1HG GLN 76 -6.966 -7.251 7.647 609 HE21 GLN 76 1HE2 GLN 76 -6.477 -7.587 9.811 610 HE22 GLN 76 2HE2 GLN 76 -5.760 -6.389 10.809 611 H MET 77 H MET 77 -6.392 -6.725 4.139 612 HA MET 77 HA MET 77 -5.663 -9.275 5.062 613 HB2 MET 77 2HB MET 77 -7.522 -8.944 3.511 614 HB3 MET 77 1HB MET 77 -6.411 -8.406 2.268 615 HG2 MET 77 2HG MET 77 -7.175 -10.715 1.915 616 HG3 MET 77 1HG MET 77 -5.430 -10.608 2.118 617 HE1 MET 77 3HE MET 77 -8.210 -10.477 4.950 618 HE2 MET 77 1HE MET 77 -8.313 -12.183 5.379 619 HE3 MET 77 2HE MET 77 -8.845 -11.642 3.787 620 H ALA 78 H ALA 78 -3.912 -7.013 3.033 621 HA ALA 78 HA ALA 78 -1.965 -8.692 1.985 622 HB1 ALA 78 1HB ALA 78 -0.528 -6.723 1.832 623 HB2 ALA 78 2HB ALA 78 -1.562 -5.862 2.969 624 HB3 ALA 78 3HB ALA 78 -2.183 -6.313 1.381 625 H ARG 79 H ARG 79 -2.261 -7.332 5.184 626 HA ARG 79 HA ARG 79 0.356 -8.037 6.058 627 HB2 ARG 79 2HB ARG 79 -2.031 -6.843 7.314 628 HB3 ARG 79 1HB ARG 79 -0.876 -7.605 8.389 629 HG2 ARG 79 2HG ARG 79 -0.388 -5.263 8.239 630 HG3 ARG 79 1HG ARG 79 0.888 -6.148 7.410 631 HD2 ARG 79 2HD ARG 79 -0.281 -5.670 5.266 632 HD3 ARG 79 1HD ARG 79 -1.410 -4.653 6.165 633 HE ARG 79 HE ARG 79 1.486 -4.168 6.165 634 HH11 ARG 79 1HH1 ARG 79 -1.806 -2.929 5.764 635 HH12 ARG 79 2HH1 ARG 79 -1.273 -1.317 5.527 636 HH21 ARG 79 1HH2 ARG 79 2.149 -2.003 5.868 637 HH22 ARG 79 2HH2 ARG 79 0.982 -0.778 5.590 638 H TYR 80 H TYR 80 -2.378 -9.883 5.611 639 HA TYR 80 HA TYR 80 -1.933 -11.682 7.824 640 HB2 TYR 80 2HB TYR 80 -3.763 -11.839 5.417 641 HB3 TYR 80 1HB TYR 80 -3.635 -13.132 6.599 642 HD1 TYR 80 1HD TYR 80 -3.681 -9.476 7.265 643 HD2 TYR 80 2HD TYR 80 -5.807 -13.141 7.531 644 HE1 TYR 80 1HE TYR 80 -5.369 -8.368 8.595 645 HE2 TYR 80 2HE TYR 80 -7.545 -12.033 8.885 646 HH TYR 80 HH TYR 80 -7.673 -10.032 10.393 647 H GLY 81 H GLY 81 -0.347 -11.153 4.991 648 HA2 GLY 81 2HA GLY 81 1.420 -12.322 4.046 649 HA3 GLY 81 1HA GLY 81 1.161 -13.585 5.248 650 H GLN 82 H GLN 82 -1.607 -12.761 3.653 651 HA GLN 82 HA GLN 82 -1.654 -15.241 2.162 652 HB2 GLN 82 2HB GLN 82 -3.718 -13.048 2.468 653 HB3 GLN 82 1HB GLN 82 -3.988 -14.590 1.671 654 HG2 GLN 82 2HG GLN 82 -3.242 -14.270 4.575 655 HG3 GLN 82 1HG GLN 82 -4.887 -14.488 3.988 656 HE21 GLN 82 1HE2 GLN 82 -4.169 -16.409 1.953 657 HE22 GLN 82 2HE2 GLN 82 -3.763 -17.872 2.757 658 H LEU 83 H LEU 83 -1.111 -11.902 1.664 659 HA LEU 83 HA LEU 83 -1.440 -12.173 -1.179 660 HB2 LEU 83 2HB LEU 83 -1.072 -9.806 0.575 661 HB3 LEU 83 1HB LEU 83 -0.628 -9.693 -1.111 662 HG LEU 83 HG LEU 83 -2.833 -8.802 -0.847 663 HD11 LEU 83 1HD1 LEU 83 -4.056 -10.147 -2.442 664 HD12 LEU 83 2HD1 LEU 83 -2.993 -11.515 -2.121 665 HD13 LEU 83 3HD1 LEU 83 -2.342 -10.065 -2.876 666 HD21 LEU 83 3HD2 LEU 83 -3.603 -11.467 0.336 667 HD22 LEU 83 1HD2 LEU 83 -4.711 -10.152 -0.061 668 HD23 LEU 83 2HD2 LEU 83 -3.500 -9.932 1.203 669 H SER 84 H SER 84 -0.020 -13.250 -2.019 670 HA SER 84 HA SER 84 2.619 -12.113 -2.295 671 HB2 SER 84 2HB SER 84 2.514 -13.897 -0.450 672 HB3 SER 84 1HB SER 84 2.198 -15.058 -1.735 673 HG SER 84 HG SER 84 4.443 -13.344 -1.563 674 H GLU 85 H GLU 85 0.126 -12.225 -3.659 675 HA GLU 85 HA GLU 85 0.781 -13.377 -6.173 676 HB2 GLU 85 2HB GLU 85 -0.222 -15.263 -5.240 677 HB3 GLU 85 1HB GLU 85 -1.533 -14.371 -4.447 678 HG2 GLU 85 2HG GLU 85 -2.364 -15.656 -6.295 679 HG3 GLU 85 1HG GLU 85 -2.411 -13.958 -6.751 680 H LYS 86 H LYS 86 -0.877 -12.612 -7.640 681 HA LYS 86 HA LYS 86 -1.613 -9.889 -6.908 682 HB2 LYS 86 2HB LYS 86 -1.439 -11.320 -9.538 683 HB3 LYS 86 1HB LYS 86 -2.059 -9.696 -9.344 684 HG2 LYS 86 2HG LYS 86 0.723 -10.582 -8.622 685 HG3 LYS 86 1HG LYS 86 0.246 -9.768 -10.120 686 HD2 LYS 86 2HD LYS 86 -0.499 -7.827 -8.834 687 HD3 LYS 86 1HD LYS 86 -0.040 -8.634 -7.337 688 HE2 LYS 86 2HE LYS 86 1.862 -7.959 -9.579 689 HE3 LYS 86 1HE LYS 86 1.639 -6.998 -8.119 690 HZ1 LYS 86 3HZ LYS 86 2.448 -8.820 -6.796 691 HZ2 LYS 86 1HZ LYS 86 3.557 -8.491 -8.008 692 HZ3 LYS 86 2HZ LYS 86 2.568 -9.831 -8.140 693 H VAL 87 H VAL 87 -3.621 -9.253 -6.762 694 HA VAL 87 HA VAL 87 -5.767 -11.163 -7.239 695 HB VAL 87 HB VAL 87 -5.877 -8.343 -6.108 696 HG11 VAL 87 1HG1 VAL 87 -8.122 -8.953 -5.323 697 HG12 VAL 87 2HG1 VAL 87 -7.970 -10.520 -6.115 698 HG13 VAL 87 3HG1 VAL 87 -8.003 -9.046 -7.083 699 HG21 VAL 87 3HG2 VAL 87 -6.169 -9.409 -3.914 700 HG22 VAL 87 1HG2 VAL 87 -4.610 -9.804 -4.638 701 HG23 VAL 87 2HG2 VAL 87 -5.917 -10.987 -4.660 702 H SER 88 H SER 88 -6.615 -11.176 -9.204 703 HA SER 88 HA SER 88 -6.183 -8.922 -10.942 704 HB2 SER 88 2HB SER 88 -7.393 -11.641 -11.518 705 HB3 SER 88 1HB SER 88 -6.890 -10.444 -12.714 706 HG SER 88 HG SER 88 -5.445 -12.282 -11.375 707 H GLU 89 H GLU 89 -8.422 -8.982 -12.592 708 HA GLU 89 HA GLU 89 -10.096 -7.249 -11.201 709 HB2 GLU 89 2HB GLU 89 -10.729 -8.720 -13.746 710 HB3 GLU 89 1HB GLU 89 -11.476 -7.239 -13.169 711 HG2 GLU 89 2HG GLU 89 -9.284 -6.106 -13.389 712 HG3 GLU 89 1HG GLU 89 -8.636 -7.601 -14.060 713 H GLN 90 H GLN 90 -10.542 -10.631 -12.100 714 HA GLN 90 HA GLN 90 -13.217 -10.816 -11.293 715 HB2 GLN 90 2HB GLN 90 -12.186 -12.470 -12.758 716 HB3 GLN 90 1HB GLN 90 -11.127 -12.990 -11.460 717 HG2 GLN 90 2HG GLN 90 -12.956 -13.908 -10.230 718 HG3 GLN 90 1HG GLN 90 -14.127 -13.199 -11.341 719 HE21 GLN 90 1HE2 GLN 90 -11.179 -14.680 -12.448 720 HE22 GLN 90 2HE2 GLN 90 -11.899 -16.053 -13.188 721 H GLY 91 H GLY 91 -10.224 -11.518 -9.505 722 HA2 GLY 91 2HA GLY 91 -11.457 -12.310 -7.111 723 HA3 GLY 91 1HA GLY 91 -9.826 -11.665 -7.267 724 H LEU 92 H LEU 92 -10.473 -9.160 -8.350 725 HA LEU 92 HA LEU 92 -11.040 -7.647 -6.055 726 HB2 LEU 92 2HB LEU 92 -9.790 -6.759 -7.965 727 HB3 LEU 92 1HB LEU 92 -11.233 -6.835 -8.953 728 HG LEU 92 HG LEU 92 -12.298 -5.200 -7.377 729 HD11 LEU 92 1HD1 LEU 92 -9.493 -4.937 -6.327 730 HD12 LEU 92 2HD1 LEU 92 -10.903 -5.513 -5.440 731 HD13 LEU 92 3HD1 LEU 92 -10.825 -3.837 -5.976 732 HD21 LEU 92 3HD2 LEU 92 -9.818 -4.289 -8.827 733 HD22 LEU 92 1HD2 LEU 92 -11.171 -3.265 -8.341 734 HD23 LEU 92 2HD2 LEU 92 -11.414 -4.530 -9.543 735 H ILE 93 H ILE 93 -13.054 -8.532 -8.822 736 HA ILE 93 HA ILE 93 -15.371 -7.161 -7.999 737 HB ILE 93 HB ILE 93 -15.099 -9.581 -9.828 738 HG12 ILE 93 2HG1 ILE 93 -15.462 -6.655 -10.523 739 HG13 ILE 93 1HG1 ILE 93 -13.903 -7.461 -10.478 740 HG21 ILE 93 1HG2 ILE 93 -17.331 -8.969 -10.698 741 HG22 ILE 93 2HG2 ILE 93 -17.457 -7.706 -9.476 742 HG23 ILE 93 3HG2 ILE 93 -17.406 -9.399 -8.988 743 HD11 ILE 93 3HD1 ILE 93 -16.196 -8.152 -12.308 744 HD12 ILE 93 1HD1 ILE 93 -14.620 -8.947 -12.270 745 HD13 ILE 93 2HD1 ILE 93 -14.734 -7.255 -12.742 746 H GLU 94 H GLU 94 -14.153 -10.379 -7.294 747 HA GLU 94 HA GLU 94 -16.383 -11.378 -5.895 748 HB2 GLU 94 2HB GLU 94 -13.430 -11.915 -5.523 749 HB3 GLU 94 1HB GLU 94 -14.692 -12.808 -4.690 750 HG2 GLU 94 2HG GLU 94 -14.347 -12.670 -7.675 751 HG3 GLU 94 1HG GLU 94 -13.804 -13.999 -6.647 752 H ILE 95 H ILE 95 -13.515 -9.659 -4.762 753 HA ILE 95 HA ILE 95 -14.293 -9.458 -2.063 754 HB ILE 95 HB ILE 95 -12.388 -7.688 -3.648 755 HG12 ILE 95 2HG1 ILE 95 -11.838 -10.035 -1.812 756 HG13 ILE 95 1HG1 ILE 95 -11.801 -10.101 -3.567 757 HG21 ILE 95 1HG2 ILE 95 -13.159 -6.562 -1.618 758 HG22 ILE 95 2HG2 ILE 95 -11.457 -7.004 -1.506 759 HG23 ILE 95 3HG2 ILE 95 -12.674 -7.962 -0.659 760 HD11 ILE 95 3HD1 ILE 95 -9.564 -9.965 -2.636 761 HD12 ILE 95 1HD1 ILE 95 -9.985 -8.466 -1.808 762 HD13 ILE 95 2HD1 ILE 95 -9.933 -8.516 -3.573 763 H LEU 96 H LEU 96 -14.797 -7.352 -4.822 764 HA LEU 96 HA LEU 96 -15.973 -5.162 -3.588 765 HB2 LEU 96 2HB LEU 96 -15.287 -5.262 -5.951 766 HB3 LEU 96 1HB LEU 96 -16.596 -6.370 -6.279 767 HG LEU 96 HG LEU 96 -18.216 -4.576 -5.717 768 HD11 LEU 96 1HD1 LEU 96 -17.417 -2.263 -5.571 769 HD12 LEU 96 2HD1 LEU 96 -15.753 -2.842 -5.550 770 HD13 LEU 96 3HD1 LEU 96 -16.844 -3.241 -4.223 771 HD21 LEU 96 3HD2 LEU 96 -17.865 -3.292 -7.762 772 HD22 LEU 96 1HD2 LEU 96 -17.558 -5.007 -8.025 773 HD23 LEU 96 2HD2 LEU 96 -16.207 -3.886 -7.860 774 H LYS 97 H LYS 97 -17.442 -8.179 -4.710 775 HA LYS 97 HA LYS 97 -20.077 -7.469 -3.932 776 HB2 LYS 97 2HB LYS 97 -18.816 -10.161 -4.408 777 HB3 LYS 97 1HB LYS 97 -20.523 -9.956 -4.043 778 HG2 LYS 97 2HG LYS 97 -20.819 -8.627 -6.064 779 HG3 LYS 97 1HG LYS 97 -19.100 -8.777 -6.430 780 HD2 LYS 97 2HD LYS 97 -21.025 -11.099 -6.210 781 HD3 LYS 97 1HD LYS 97 -20.531 -10.347 -7.729 782 HE2 LYS 97 2HE LYS 97 -18.197 -10.936 -7.249 783 HE3 LYS 97 1HE LYS 97 -18.693 -11.684 -5.739 784 HZ1 LYS 97 3HZ LYS 97 -19.897 -13.342 -6.933 785 HZ2 LYS 97 1HZ LYS 97 -18.326 -13.246 -7.530 786 HZ3 LYS 97 2HZ LYS 97 -19.607 -12.598 -8.420 787 H LYS 98 H LYS 98 -17.478 -9.201 -2.329 788 HA LYS 98 HA LYS 98 -18.861 -9.933 0.003 789 HB2 LYS 98 2HB LYS 98 -15.917 -9.466 -0.496 790 HB3 LYS 98 1HB LYS 98 -16.550 -10.099 1.020 791 HG2 LYS 98 2HG LYS 98 -17.344 -12.083 -0.028 792 HG3 LYS 98 1HG LYS 98 -17.101 -11.400 -1.635 793 HD2 LYS 98 2HD LYS 98 -15.370 -13.026 -1.169 794 HD3 LYS 98 1HD LYS 98 -14.665 -11.423 -1.256 795 HE2 LYS 98 2HE LYS 98 -13.644 -12.573 0.557 796 HE3 LYS 98 1HE LYS 98 -14.685 -11.342 1.238 797 HZ1 LYS 98 3HZ LYS 98 -16.380 -13.247 1.588 798 HZ2 LYS 98 1HZ LYS 98 -14.945 -13.338 2.492 799 HZ3 LYS 98 2HZ LYS 98 -15.130 -14.276 1.126 800 H VAL 99 H VAL 99 -17.087 -6.942 -0.706 801 HA VAL 99 HA VAL 99 -17.591 -5.940 1.935 802 HB VAL 99 HB VAL 99 -16.687 -3.809 1.241 803 HG11 VAL 99 1HG1 VAL 99 -14.463 -4.476 0.464 804 HG12 VAL 99 2HG1 VAL 99 -15.101 -6.075 0.075 805 HG13 VAL 99 3HG1 VAL 99 -15.075 -5.523 1.747 806 HG21 VAL 99 3HG2 VAL 99 -16.018 -3.330 -1.061 807 HG22 VAL 99 1HG2 VAL 99 -17.752 -3.619 -0.949 808 HG23 VAL 99 2HG2 VAL 99 -16.692 -4.876 -1.581 809 H SER 100 H SER 100 -19.454 -6.038 -0.936 810 HA SER 100 HA SER 100 -21.157 -3.878 -0.194 811 HB2 SER 100 2HB SER 100 -21.493 -6.103 -2.212 812 HB3 SER 100 1HB SER 100 -22.557 -4.700 -2.059 813 HG SER 100 HG SER 100 -19.857 -4.816 -2.902 814 H GLN 101 H GLN 101 -20.875 -7.232 0.495 815 HA GLN 101 HA GLN 101 -23.487 -7.751 1.439 816 HB2 GLN 101 2HB GLN 101 -20.820 -8.994 2.169 817 HB3 GLN 101 1HB GLN 101 -22.383 -9.650 2.640 818 HG2 GLN 101 2HG GLN 101 -22.934 -10.182 0.402 819 HG3 GLN 101 1HG GLN 101 -21.603 -9.217 -0.226 820 HE21 GLN 101 1HE2 GLN 101 -22.260 -12.015 -0.661 821 HE22 GLN 101 2HE2 GLN 101 -20.849 -12.896 -0.194 822 H GLN 102 H GLN 102 -20.525 -7.381 3.309 823 HA GLN 102 HA GLN 102 -21.823 -5.570 5.195 824 HB2 GLN 102 2HB GLN 102 -20.455 -8.158 6.091 825 HB3 GLN 102 1HB GLN 102 -21.030 -6.889 7.160 826 HG2 GLN 102 2HG GLN 102 -23.297 -7.375 6.542 827 HG3 GLN 102 1HG GLN 102 -22.747 -8.529 5.330 828 HE21 GLN 102 1HE2 GLN 102 -23.803 -10.217 6.206 829 HE22 GLN 102 2HE2 GLN 102 -23.369 -10.956 7.704 830 H THR 103 H THR 103 -18.923 -7.468 5.507 831 HA THR 103 HA THR 103 -17.222 -5.253 4.673 832 HB THR 103 HB THR 103 -16.580 -7.273 6.878 833 HG1 THR 103 1HG THR 103 -17.767 -6.030 8.085 834 HG21 THR 103 3HG2 THR 103 -14.694 -5.762 7.371 835 HG22 THR 103 1HG2 THR 103 -15.191 -4.713 6.041 836 HG23 THR 103 2HG2 THR 103 -14.620 -6.348 5.711 837 H GLU 104 H GLU 104 -17.579 -8.664 5.483 838 HA GLU 104 HA GLU 104 -17.507 -9.408 2.799 839 HB2 GLU 104 2HB GLU 104 -15.678 -10.967 2.854 840 HB3 GLU 104 1HB GLU 104 -15.029 -9.369 3.205 841 HG2 GLU 104 2HG GLU 104 -14.477 -9.961 5.346 842 HG3 GLU 104 1HG GLU 104 -15.767 -11.166 5.463 843 H LYS 105 H LYS 105 -18.487 -11.439 2.599 844 HA LYS 105 HA LYS 105 -18.737 -12.954 5.033 845 HB2 LYS 105 2HB LYS 105 -20.872 -11.623 4.617 846 HB3 LYS 105 1HB LYS 105 -21.041 -12.481 3.094 847 HG2 LYS 105 2HG LYS 105 -21.319 -14.560 4.215 848 HG3 LYS 105 1HG LYS 105 -20.929 -13.852 5.776 849 HD2 LYS 105 2HD LYS 105 -22.968 -12.415 5.530 850 HD3 LYS 105 1HD LYS 105 -23.368 -13.327 4.073 851 HE2 LYS 105 2HE LYS 105 -24.585 -14.219 5.987 852 HE3 LYS 105 1HE LYS 105 -23.420 -15.399 5.393 853 HZ1 LYS 105 3HZ LYS 105 -23.059 -13.638 7.771 854 HZ2 LYS 105 1HZ LYS 105 -21.911 -14.734 7.218 855 HZ3 LYS 105 2HZ LYS 105 -23.378 -15.279 7.817 856 H THR 106 H THR 106 -19.409 -15.176 4.424 857 HA THR 106 HA THR 106 -19.493 -17.009 3.300 858 HB THR 106 HB THR 106 -19.760 -15.735 1.013 859 HG1 THR 106 1HG THR 106 -20.224 -17.832 0.988 860 HG21 THR 106 3HG2 THR 106 -16.893 -16.716 0.765 861 HG22 THR 106 1HG2 THR 106 -17.376 -15.019 0.791 862 HG23 THR 106 2HG2 THR 106 -17.873 -16.056 -0.546 863 H THR 107 H THR 107 -18.373 -18.669 3.472 864 HA THR 107 HA THR 107 -15.460 -18.509 3.473 865 HB THR 107 HB THR 107 -16.212 -18.445 5.809 866 HG1 THR 107 1HG THR 107 -14.341 -19.662 5.361 867 HG21 THR 107 3HG2 THR 107 -17.464 -20.318 6.817 868 HG22 THR 107 1HG2 THR 107 -17.653 -21.033 5.216 869 HG23 THR 107 2HG2 THR 107 -18.405 -19.481 5.583 870 H THR 108 H THR 108 -18.185 -19.686 2.110 871 HA THR 108 HA THR 108 -17.378 -22.425 1.885 872 HB THR 108 HB THR 108 -19.816 -21.737 2.099 873 HG1 THR 108 1HG THR 108 -19.365 -23.728 1.351 874 HG21 THR 108 3HG2 THR 108 -21.005 -21.011 0.077 875 HG22 THR 108 1HG2 THR 108 -19.471 -20.875 -0.777 876 HG23 THR 108 2HG2 THR 108 -19.820 -19.810 0.586 877 H VAL 109 H VAL 109 -17.253 -19.483 -0.023 878 HA VAL 109 HA VAL 109 -15.983 -21.077 -2.065 879 HB VAL 109 HB VAL 109 -17.911 -20.025 -3.038 880 HG11 VAL 109 1HG1 VAL 109 -18.248 -18.147 -1.575 881 HG12 VAL 109 2HG1 VAL 109 -18.185 -17.598 -3.251 882 HG13 VAL 109 3HG1 VAL 109 -16.793 -17.365 -2.193 883 HG21 VAL 109 3HG2 VAL 109 -16.011 -20.260 -4.513 884 HG22 VAL 109 1HG2 VAL 109 -15.393 -18.683 -4.016 885 HG23 VAL 109 2HG2 VAL 109 -16.903 -18.793 -4.922 886 H LYS 110 H LYS 110 -14.097 -21.220 -1.266 887 HA LYS 110 HA LYS 110 -12.472 -18.795 -1.048 888 HB2 LYS 110 2HB LYS 110 -11.902 -21.652 -0.210 889 HB3 LYS 110 1HB LYS 110 -10.780 -20.311 0.003 890 HG2 LYS 110 2HG LYS 110 -12.365 -19.212 1.512 891 HG3 LYS 110 1HG LYS 110 -13.513 -20.526 1.280 892 HD2 LYS 110 2HD LYS 110 -10.751 -20.822 2.486 893 HD3 LYS 110 1HD LYS 110 -12.246 -20.689 3.402 894 HE2 LYS 110 2HE LYS 110 -13.079 -22.740 2.446 895 HE3 LYS 110 1HE LYS 110 -11.678 -22.868 1.396 896 HZ1 LYS 110 3HZ LYS 110 -11.646 -23.018 4.367 897 HZ2 LYS 110 1HZ LYS 110 -10.283 -23.084 3.382 898 HZ3 LYS 110 2HZ LYS 110 -11.424 -24.307 3.294 899 H PHE 111 H PHE 111 -12.949 -21.815 -2.705 900 HA PHE 111 HA PHE 111 -12.608 -22.491 -4.780 901 HB2 PHE 111 2HB PHE 111 -13.291 -20.135 -5.327 902 HB3 PHE 111 1HB PHE 111 -11.592 -19.700 -5.379 903 HD1 PHE 111 2HD PHE 111 -13.944 -22.178 -6.877 904 HD2 PHE 111 1HD PHE 111 -10.579 -19.634 -7.451 905 HE1 PHE 111 2HE PHE 111 -13.905 -22.776 -9.259 906 HE2 PHE 111 1HE PHE 111 -10.539 -20.230 -9.837 907 HZ PHE 111 HZ PHE 111 -12.199 -21.802 -10.742 908 H ASN 112 H ASN 112 -10.278 -22.119 -2.716 909 HA ASN 112 HA ASN 112 -8.405 -23.353 -4.505 910 HB2 ASN 112 2HB ASN 112 -6.450 -22.098 -3.409 911 HB3 ASN 112 1HB ASN 112 -7.437 -21.193 -4.534 912 HD21 ASN 112 1HD2 ASN 112 -7.988 -21.913 -1.142 913 HD22 ASN 112 2HD2 ASN 112 -8.023 -20.275 -0.571 Start of MODEL 11 1 H1 GLY 0 1HT GLY 0 34.627 42.373 13.133 2 H2 GLY 0 2HT GLY 0 34.449 43.120 11.650 3 H3 GLY 0 3HT GLY 0 35.934 43.181 12.439 4 HA2 GLY 0 1HA GLY 0 35.995 41.550 10.645 5 HA3 GLY 0 2HA GLY 0 36.159 40.785 12.228 6 H SER 1 H SER 1 34.130 41.242 9.455 7 HA SER 1 HA SER 1 31.867 39.981 10.600 8 HB2 SER 1 2HB SER 1 32.560 40.793 7.807 9 HB3 SER 1 1HB SER 1 30.996 40.116 8.262 10 HG SER 1 HG SER 1 30.853 41.882 9.771 11 H ALA 2 H ALA 2 32.722 37.988 11.285 12 HA ALA 2 HA ALA 2 33.673 36.098 9.332 13 HB1 ALA 2 1HB ALA 2 34.424 35.958 11.670 14 HB2 ALA 2 2HB ALA 2 33.615 34.475 11.168 15 HB3 ALA 2 3HB ALA 2 32.763 35.644 12.177 16 H ASP 3 H ASP 3 30.801 36.428 11.314 17 HA ASP 3 HA ASP 3 29.411 34.326 9.940 18 HB2 ASP 3 2HB ASP 3 29.089 34.741 12.326 19 HB3 ASP 3 1HB ASP 3 28.433 36.332 11.962 20 H GLU 4 H GLU 4 29.328 37.827 10.020 21 HA GLU 4 HA GLU 4 26.977 38.113 8.523 22 HB2 GLU 4 2HB GLU 4 29.145 40.213 8.537 23 HB3 GLU 4 1HB GLU 4 27.424 40.423 8.368 24 HG2 GLU 4 2HG GLU 4 27.711 41.125 10.514 25 HG3 GLU 4 1HG GLU 4 27.357 39.417 10.786 26 H GLU 5 H GLU 5 30.390 38.035 7.451 27 HA GLU 5 HA GLU 5 29.639 38.523 4.762 28 HB2 GLU 5 2HB GLU 5 32.235 37.509 5.926 29 HB3 GLU 5 1HB GLU 5 32.000 37.764 4.200 30 HG2 GLU 5 2HG GLU 5 31.588 40.113 4.565 31 HG3 GLU 5 1HG GLU 5 31.701 39.899 6.303 32 H LEU 6 H LEU 6 29.915 35.716 6.750 33 HA LEU 6 HA LEU 6 29.909 33.770 4.717 34 HB2 LEU 6 2HB LEU 6 30.404 33.371 7.164 35 HB3 LEU 6 1HB LEU 6 28.710 33.593 7.505 36 HG LEU 6 HG LEU 6 29.766 31.326 5.779 37 HD11 LEU 6 1HD1 LEU 6 30.720 31.172 8.012 38 HD12 LEU 6 2HD1 LEU 6 29.510 29.914 7.756 39 HD13 LEU 6 3HD1 LEU 6 29.115 31.336 8.719 40 HD21 LEU 6 3HD2 LEU 6 27.614 30.267 6.284 41 HD22 LEU 6 1HD2 LEU 6 27.365 31.824 5.493 42 HD23 LEU 6 2HD2 LEU 6 27.130 31.673 7.235 43 H GLU 7 H GLU 7 27.297 35.188 6.670 44 HA GLU 7 HA GLU 7 25.098 34.136 5.345 45 HB2 GLU 7 2HB GLU 7 25.472 36.768 6.750 46 HB3 GLU 7 1HB GLU 7 23.921 36.261 6.104 47 HG2 GLU 7 2HG GLU 7 25.499 34.720 8.147 48 HG3 GLU 7 1HG GLU 7 24.199 35.853 8.518 49 H ALA 8 H ALA 8 26.917 37.058 4.645 50 HA ALA 8 HA ALA 8 25.380 38.121 2.597 51 HB1 ALA 8 1HB ALA 8 27.396 39.298 1.886 52 HB2 ALA 8 2HB ALA 8 28.384 38.183 2.828 53 HB3 ALA 8 3HB ALA 8 27.275 39.280 3.645 54 H LEU 9 H LEU 9 28.220 36.020 2.253 55 HA LEU 9 HA LEU 9 28.031 35.692 -0.529 56 HB2 LEU 9 2HB LEU 9 30.035 35.215 0.817 57 HB3 LEU 9 1HB LEU 9 29.228 33.817 1.499 58 HG LEU 9 HG LEU 9 29.051 32.919 -0.851 59 HD11 LEU 9 1HD1 LEU 9 30.985 35.144 -1.394 60 HD12 LEU 9 2HD1 LEU 9 29.369 34.963 -2.074 61 HD13 LEU 9 3HD1 LEU 9 30.637 33.807 -2.488 62 HD21 LEU 9 3HD2 LEU 9 31.344 32.113 -0.885 63 HD22 LEU 9 1HD2 LEU 9 30.666 32.075 0.740 64 HD23 LEU 9 2HD2 LEU 9 31.807 33.351 0.290 65 H ARG 10 H ARG 10 26.825 33.802 2.162 66 HA ARG 10 HA ARG 10 25.840 31.537 0.910 67 HB2 ARG 10 2HB ARG 10 26.063 31.949 3.349 68 HB3 ARG 10 1HB ARG 10 24.705 33.041 3.262 69 HG2 ARG 10 2HG ARG 10 23.245 31.181 2.649 70 HG3 ARG 10 1HG ARG 10 24.626 30.077 2.732 71 HD2 ARG 10 2HD ARG 10 24.986 30.747 5.074 72 HD3 ARG 10 1HD ARG 10 23.556 31.765 4.988 73 HE ARG 10 HE ARG 10 22.974 29.100 4.265 74 HH11 ARG 10 1HH1 ARG 10 23.440 31.270 7.074 75 HH12 ARG 10 2HH1 ARG 10 22.768 30.189 8.181 76 HH21 ARG 10 1HH2 ARG 10 22.002 27.612 5.844 77 HH22 ARG 10 2HH2 ARG 10 21.945 28.066 7.485 78 H ARG 11 H ARG 11 24.238 34.622 1.580 79 HA ARG 11 HA ARG 11 21.800 33.850 0.298 80 HB2 ARG 11 2HB ARG 11 22.763 36.585 1.106 81 HB3 ARG 11 1HB ARG 11 21.116 36.169 0.641 82 HG2 ARG 11 2HG ARG 11 20.865 34.747 2.534 83 HG3 ARG 11 1HG ARG 11 22.569 34.934 2.950 84 HD2 ARG 11 2HD ARG 11 22.106 37.392 3.186 85 HD3 ARG 11 1HD ARG 11 20.384 36.985 3.084 86 HE ARG 11 HE ARG 11 21.588 35.337 4.950 87 HH11 ARG 11 1HH1 ARG 11 20.568 38.680 4.557 88 HH12 ARG 11 2HH1 ARG 11 20.598 39.061 6.206 89 HH21 ARG 11 1HH2 ARG 11 21.695 35.833 7.231 90 HH22 ARG 11 2HH2 ARG 11 21.263 37.391 7.783 91 H GLN 12 H GLN 12 24.664 35.654 -0.641 92 HA GLN 12 HA GLN 12 23.780 36.731 -3.030 93 HB2 GLN 12 2HB GLN 12 25.935 37.345 -2.083 94 HB3 GLN 12 1HB GLN 12 26.531 35.706 -2.293 95 HG2 GLN 12 2HG GLN 12 26.415 35.962 -4.723 96 HG3 GLN 12 1HG GLN 12 25.773 37.586 -4.520 97 HE21 GLN 12 1HE2 GLN 12 27.125 39.239 -3.970 98 HE22 GLN 12 2HE2 GLN 12 28.834 39.096 -3.977 99 H ARG 13 H ARG 13 25.185 33.552 -2.401 100 HA ARG 13 HA ARG 13 24.889 32.762 -5.109 101 HB2 ARG 13 2HB ARG 13 26.663 31.887 -3.592 102 HB3 ARG 13 1HB ARG 13 25.419 31.037 -2.689 103 HG2 ARG 13 2HG ARG 13 26.543 29.508 -4.189 104 HG3 ARG 13 1HG ARG 13 24.871 29.737 -4.710 105 HD2 ARG 13 2HD ARG 13 25.614 31.360 -6.384 106 HD3 ARG 13 1HD ARG 13 27.284 31.136 -5.864 107 HE ARG 13 HE ARG 13 26.202 28.663 -6.556 108 HH11 ARG 13 1HH1 ARG 13 27.226 31.680 -8.077 109 HH12 ARG 13 2HH1 ARG 13 27.535 30.986 -9.599 110 HH21 ARG 13 1HH2 ARG 13 26.630 27.698 -8.665 111 HH22 ARG 13 2HH2 ARG 13 27.177 28.698 -9.936 112 H LEU 14 H LEU 14 23.153 32.049 -2.066 113 HA LEU 14 HA LEU 14 21.455 30.089 -3.116 114 HB2 LEU 14 2HB LEU 14 21.877 30.303 -0.736 115 HB3 LEU 14 1HB LEU 14 21.063 31.850 -0.708 116 HG LEU 14 HG LEU 14 18.937 30.734 -1.273 117 HD11 LEU 14 1HD1 LEU 14 18.789 28.289 -1.141 118 HD12 LEU 14 2HD1 LEU 14 20.552 28.204 -1.029 119 HD13 LEU 14 3HD1 LEU 14 19.785 28.842 -2.485 120 HD21 LEU 14 3HD2 LEU 14 20.357 29.600 1.127 121 HD22 LEU 14 1HD2 LEU 14 18.610 29.655 0.892 122 HD23 LEU 14 2HD2 LEU 14 19.524 31.154 1.051 123 H ALA 15 H ALA 15 21.084 33.579 -3.066 124 HA ALA 15 HA ALA 15 18.309 33.581 -3.577 125 HB1 ALA 15 1HB ALA 15 20.325 35.718 -4.253 126 HB2 ALA 15 2HB ALA 15 19.482 35.548 -2.713 127 HB3 ALA 15 3HB ALA 15 18.575 35.932 -4.177 128 H GLU 16 H GLU 16 21.067 33.181 -5.617 129 HA GLU 16 HA GLU 16 19.678 33.653 -8.061 130 HB2 GLU 16 2HB GLU 16 22.332 32.301 -7.546 131 HB3 GLU 16 1HB GLU 16 21.748 32.850 -9.111 132 HG2 GLU 16 2HG GLU 16 22.233 34.653 -6.758 133 HG3 GLU 16 1HG GLU 16 23.415 34.367 -8.022 134 H LEU 17 H LEU 17 20.524 30.980 -6.038 135 HA LEU 17 HA LEU 17 19.762 28.861 -7.755 136 HB2 LEU 17 2HB LEU 17 21.330 28.823 -5.751 137 HB3 LEU 17 1HB LEU 17 19.926 28.931 -4.730 138 HG LEU 17 HG LEU 17 20.493 26.591 -6.569 139 HD11 LEU 17 1HD1 LEU 17 21.039 26.941 -3.625 140 HD12 LEU 17 2HD1 LEU 17 22.249 26.817 -4.904 141 HD13 LEU 17 3HD1 LEU 17 21.219 25.438 -4.526 142 HD21 LEU 17 3HD2 LEU 17 18.867 25.413 -5.183 143 HD22 LEU 17 1HD2 LEU 17 18.126 26.841 -5.904 144 HD23 LEU 17 2HD2 LEU 17 18.619 26.863 -4.209 145 H GLN 18 H GLN 18 18.264 30.632 -5.125 146 HA GLN 18 HA GLN 18 16.190 31.301 -4.604 147 HB2 GLN 18 2HB GLN 18 15.810 31.625 -7.027 148 HB3 GLN 18 1HB GLN 18 15.231 29.965 -7.129 149 HG2 GLN 18 2HG GLN 18 13.545 30.604 -5.361 150 HG3 GLN 18 1HG GLN 18 14.001 32.270 -5.666 151 HE21 GLN 18 1HE2 GLN 18 13.517 33.212 -7.666 152 HE22 GLN 18 2HE2 GLN 18 12.339 32.515 -8.713 153 H ALA 19 H ALA 19 15.972 28.075 -5.948 154 HA ALA 19 HA ALA 19 13.816 27.408 -4.188 155 HB1 ALA 19 1HB ALA 19 13.907 26.505 -6.449 156 HB2 ALA 19 2HB ALA 19 13.796 25.235 -5.229 157 HB3 ALA 19 3HB ALA 19 15.342 25.578 -6.011 158 H LYS 20 H LYS 20 14.847 27.812 -2.229 159 HA LYS 20 HA LYS 20 16.719 25.847 -1.253 160 HB2 LYS 20 2HB LYS 20 16.554 28.353 -0.600 161 HB3 LYS 20 1HB LYS 20 15.134 27.898 0.308 162 HG2 LYS 20 2HG LYS 20 17.903 26.801 0.801 163 HG3 LYS 20 1HG LYS 20 17.177 28.161 1.648 164 HD2 LYS 20 2HD LYS 20 15.422 26.700 2.507 165 HD3 LYS 20 1HD LYS 20 16.116 25.333 1.634 166 HE2 LYS 20 2HE LYS 20 18.193 25.593 2.933 167 HE3 LYS 20 1HE LYS 20 17.453 26.928 3.815 168 HZ1 LYS 20 3HZ LYS 20 15.741 25.341 4.603 169 HZ2 LYS 20 1HZ LYS 20 17.291 24.923 5.090 170 HZ3 LYS 20 2HZ LYS 20 16.588 24.092 3.838 171 H HIS 21 H HIS 21 15.564 23.886 -1.404 172 HA HIS 21 HA HIS 21 12.923 23.978 -0.294 173 HB2 HIS 21 2HB HIS 21 12.507 21.649 -1.069 174 HB3 HIS 21 1HB HIS 21 12.945 22.735 -2.364 175 HD1 HIS 21 1HD HIS 21 14.729 21.902 -3.914 176 HD2 HIS 21 2HD HIS 21 14.655 19.801 -0.333 177 HE1 HIS 21 1HE HIS 21 16.248 19.970 -4.241 178 HE2 HIS 21 2HE HIS 21 16.013 18.602 -2.125 179 H GLY 22 H GLY 22 13.315 24.442 1.609 180 HA2 GLY 22 2HA GLY 22 13.538 22.214 3.371 181 HA3 GLY 22 1HA GLY 22 14.892 23.346 3.496 182 H ASP 23 H ASP 23 11.496 22.925 3.849 183 HA ASP 23 HA ASP 23 11.509 25.241 5.594 184 HB2 ASP 23 2HB ASP 23 9.401 26.025 4.779 185 HB3 ASP 23 1HB ASP 23 10.346 25.696 3.345 186 HA PRO 24 HA PRO 24 9.905 22.122 8.294 187 HB2 PRO 24 2HB PRO 24 9.348 23.593 10.421 188 HB3 PRO 24 1HB PRO 24 11.016 23.440 9.837 189 HG2 PRO 24 2HG PRO 24 9.067 25.678 9.423 190 HG3 PRO 24 1HG PRO 24 10.782 25.763 9.867 191 HD2 PRO 24 2HD PRO 24 9.843 26.091 7.306 192 HD3 PRO 24 1HD PRO 24 11.472 25.523 7.697 193 H GLY 25 H GLY 25 7.899 23.862 6.506 194 HA2 GLY 25 2HA GLY 25 5.564 23.328 8.206 195 HA3 GLY 25 1HA GLY 25 5.625 24.573 6.959 196 H ASP 26 H ASP 26 5.948 23.823 4.774 197 HA ASP 26 HA ASP 26 3.901 21.946 4.160 198 HB2 ASP 26 2HB ASP 26 4.184 23.878 2.738 199 HB3 ASP 26 1HB ASP 26 5.851 23.431 2.398 200 H ALA 27 H ALA 27 7.381 22.047 3.646 201 HA ALA 27 HA ALA 27 7.585 19.503 2.454 202 HB1 ALA 27 1HB ALA 27 9.705 20.954 4.043 203 HB2 ALA 27 2HB ALA 27 9.379 21.178 2.326 204 HB3 ALA 27 3HB ALA 27 9.981 19.626 2.918 205 H ALA 28 H ALA 28 7.299 20.422 5.778 206 HA ALA 28 HA ALA 28 8.183 17.935 6.826 207 HB1 ALA 28 1HB ALA 28 7.308 18.739 8.972 208 HB2 ALA 28 2HB ALA 28 6.525 20.085 8.145 209 HB3 ALA 28 3HB ALA 28 8.284 19.973 8.180 210 H GLN 29 H GLN 29 5.044 19.401 6.116 211 HA GLN 29 HA GLN 29 3.466 17.274 7.093 212 HB2 GLN 29 2HB GLN 29 2.756 19.298 4.968 213 HB3 GLN 29 1HB GLN 29 1.629 18.274 5.838 214 HG2 GLN 29 2HG GLN 29 3.306 20.491 6.986 215 HG3 GLN 29 1HG GLN 29 1.569 20.525 6.693 216 HE21 GLN 29 1HE2 GLN 29 0.213 19.381 8.072 217 HE22 GLN 29 2HE2 GLN 29 0.759 18.786 9.590 218 H GLN 30 H GLN 30 4.609 18.171 3.891 219 HA GLN 30 HA GLN 30 3.257 16.265 2.390 220 HB2 GLN 30 2HB GLN 30 5.918 17.546 1.805 221 HB3 GLN 30 1HB GLN 30 4.956 16.643 0.647 222 HG2 GLN 30 2HG GLN 30 4.061 19.151 2.041 223 HG3 GLN 30 1HG GLN 30 4.757 19.096 0.432 224 HE21 GLN 30 1HE2 GLN 30 2.949 20.002 -0.413 225 HE22 GLN 30 2HE2 GLN 30 1.468 19.147 -0.664 226 H GLU 31 H GLU 31 6.480 16.064 3.833 227 HA GLU 31 HA GLU 31 7.083 13.582 2.720 228 HB2 GLU 31 2HB GLU 31 8.213 15.138 4.972 229 HB3 GLU 31 1HB GLU 31 8.719 13.464 4.750 230 HG2 GLU 31 2HG GLU 31 8.845 15.583 2.618 231 HG3 GLU 31 1HG GLU 31 10.207 15.087 3.631 232 H ALA 32 H ALA 32 5.128 14.255 5.496 233 HA ALA 32 HA ALA 32 5.250 11.532 6.357 234 HB1 ALA 32 1HB ALA 32 3.529 12.189 7.995 235 HB2 ALA 32 2HB ALA 32 3.398 13.762 7.209 236 HB3 ALA 32 3HB ALA 32 4.898 13.299 8.013 237 H LYS 33 H LYS 33 2.958 13.621 4.700 238 HA LYS 33 HA LYS 33 0.888 11.740 4.290 239 HB2 LYS 33 2HB LYS 33 0.731 14.233 3.975 240 HB3 LYS 33 1HB LYS 33 1.683 14.053 2.516 241 HG2 LYS 33 2HG LYS 33 -0.614 14.260 1.870 242 HG3 LYS 33 1HG LYS 33 -0.084 12.598 1.592 243 HD2 LYS 33 2HD LYS 33 -2.341 12.692 2.576 244 HD3 LYS 33 1HD LYS 33 -1.196 11.860 3.626 245 HE2 LYS 33 2HE LYS 33 -2.687 13.386 4.865 246 HE3 LYS 33 1HE LYS 33 -1.000 13.833 5.030 247 HZ1 LYS 33 3HZ LYS 33 -1.343 15.595 3.400 248 HZ2 LYS 33 1HZ LYS 33 -2.430 15.731 4.662 249 HZ3 LYS 33 2HZ LYS 33 -2.959 15.135 3.204 250 H HIS 34 H HIS 34 3.783 12.526 2.601 251 HA HIS 34 HA HIS 34 3.715 11.311 0.145 252 HB2 HIS 34 2HB HIS 34 5.534 12.643 1.458 253 HB3 HIS 34 1HB HIS 34 6.074 11.069 1.993 254 HD1 HIS 34 1HD HIS 34 7.046 9.458 -0.014 255 HD2 HIS 34 2HD HIS 34 6.374 13.462 -0.941 256 HE1 HIS 34 1HE HIS 34 8.418 9.939 -2.027 257 HE2 HIS 34 2HE HIS 34 8.375 12.416 -2.113 258 H ARG 35 H ARG 35 4.810 9.931 3.218 259 HA ARG 35 HA ARG 35 5.171 7.351 2.130 260 HB2 ARG 35 2HB ARG 35 5.329 8.446 4.916 261 HB3 ARG 35 1HB ARG 35 5.605 6.738 4.554 262 HG2 ARG 35 2HG ARG 35 7.440 7.234 3.153 263 HG3 ARG 35 1HG ARG 35 7.062 8.951 3.155 264 HD2 ARG 35 2HD ARG 35 7.710 9.131 5.464 265 HD3 ARG 35 1HD ARG 35 7.953 7.381 5.572 266 HE ARG 35 HE ARG 35 9.923 7.579 4.510 267 HH11 ARG 35 1HH1 ARG 35 8.302 10.773 4.251 268 HH12 ARG 35 2HH1 ARG 35 9.628 11.485 3.429 269 HH21 ARG 35 1HH2 ARG 35 11.675 8.642 3.376 270 HH22 ARG 35 2HH2 ARG 35 11.542 10.283 2.940 271 H GLU 36 H GLU 36 2.528 8.893 3.762 272 HA GLU 36 HA GLU 36 1.068 6.579 4.417 273 HB2 GLU 36 2HB GLU 36 0.242 9.410 3.847 274 HB3 GLU 36 1HB GLU 36 -0.945 8.161 4.201 275 HG2 GLU 36 2HG GLU 36 1.343 8.894 5.989 276 HG3 GLU 36 1HG GLU 36 -0.308 9.508 6.164 277 H ALA 37 H ALA 37 1.140 8.586 1.539 278 HA ALA 37 HA ALA 37 -0.790 7.144 0.065 279 HB1 ALA 37 1HB ALA 37 1.501 8.836 -0.946 280 HB2 ALA 37 2HB ALA 37 -0.088 9.441 -0.487 281 HB3 ALA 37 3HB ALA 37 0.073 8.350 -1.863 282 H GLU 38 H GLU 38 2.738 7.031 0.202 283 HA GLU 38 HA GLU 38 3.194 5.147 -1.771 284 HB2 GLU 38 2HB GLU 38 4.752 5.644 0.746 285 HB3 GLU 38 1HB GLU 38 5.319 4.661 -0.594 286 HG2 GLU 38 2HG GLU 38 5.195 6.621 -2.059 287 HG3 GLU 38 1HG GLU 38 4.666 7.582 -0.678 288 H MET 39 H MET 39 2.662 4.631 1.666 289 HA MET 39 HA MET 39 3.134 1.892 1.736 290 HB2 MET 39 2HB MET 39 2.975 3.252 3.745 291 HB3 MET 39 1HB MET 39 1.273 3.544 3.447 292 HG2 MET 39 2HG MET 39 0.769 1.203 3.813 293 HG3 MET 39 1HG MET 39 2.480 0.839 4.020 294 HE1 MET 39 3HE MET 39 3.935 1.622 6.079 295 HE2 MET 39 1HE MET 39 3.333 2.662 7.368 296 HE3 MET 39 2HE MET 39 3.533 3.310 5.744 297 H ARG 40 H ARG 40 0.095 3.609 1.164 298 HA ARG 40 HA ARG 40 -1.469 1.222 1.005 299 HB2 ARG 40 2HB ARG 40 -2.132 3.933 -0.155 300 HB3 ARG 40 1HB ARG 40 -3.264 2.635 0.180 301 HG2 ARG 40 2HG ARG 40 -2.770 2.866 2.579 302 HG3 ARG 40 1HG ARG 40 -1.703 4.219 2.212 303 HD2 ARG 40 2HD ARG 40 -3.766 5.185 2.847 304 HD3 ARG 40 1HD ARG 40 -3.696 5.315 1.092 305 HE ARG 40 HE ARG 40 -5.309 3.404 2.629 306 HH11 ARG 40 1HH1 ARG 40 -4.755 5.090 -0.456 307 HH12 ARG 40 2HH1 ARG 40 -6.256 4.635 -1.110 308 HH21 ARG 40 1HH2 ARG 40 -7.363 2.868 1.731 309 HH22 ARG 40 2HH2 ARG 40 -7.781 3.345 0.134 310 H ASN 41 H ASN 41 -0.222 3.494 -1.404 311 HA ASN 41 HA ASN 41 -1.243 2.338 -3.725 312 HB2 ASN 41 2HB ASN 41 -0.296 4.574 -3.629 313 HB3 ASN 41 1HB ASN 41 1.299 3.917 -3.321 314 HD21 ASN 41 1HD2 ASN 41 2.233 4.829 -5.090 315 HD22 ASN 41 2HD2 ASN 41 1.896 4.385 -6.718 316 H SER 42 H SER 42 1.892 1.772 -2.136 317 HA SER 42 HA SER 42 2.838 0.126 -4.196 318 HB2 SER 42 2HB SER 42 3.776 0.352 -1.350 319 HB3 SER 42 1HB SER 42 4.670 -0.368 -2.695 320 HG SER 42 HG SER 42 3.929 2.306 -2.275 321 H ILE 43 H ILE 43 1.202 -0.662 -1.106 322 HA ILE 43 HA ILE 43 1.637 -3.427 -1.615 323 HB ILE 43 HB ILE 43 0.138 -3.965 0.244 324 HG12 ILE 43 2HG1 ILE 43 -0.375 -0.971 0.460 325 HG13 ILE 43 1HG1 ILE 43 -1.547 -2.187 -0.022 326 HG21 ILE 43 1HG2 ILE 43 2.442 -3.496 0.736 327 HG22 ILE 43 2HG2 ILE 43 1.423 -2.905 2.050 328 HG23 ILE 43 3HG2 ILE 43 2.095 -1.772 0.880 329 HD11 ILE 43 3HD1 ILE 43 -1.850 -1.464 2.281 330 HD12 ILE 43 1HD1 ILE 43 -0.219 -2.003 2.668 331 HD13 ILE 43 2HD1 ILE 43 -1.446 -3.178 2.193 332 H LEU 44 H LEU 44 -1.002 -1.213 -2.243 333 HA LEU 44 HA LEU 44 -2.827 -3.118 -3.186 334 HB2 LEU 44 2HB LEU 44 -2.482 -0.228 -3.983 335 HB3 LEU 44 1HB LEU 44 -3.831 -1.226 -4.469 336 HG LEU 44 HG LEU 44 -3.168 -0.427 -1.630 337 HD11 LEU 44 1HD1 LEU 44 -3.975 1.441 -2.958 338 HD12 LEU 44 2HD1 LEU 44 -5.189 0.934 -1.780 339 HD13 LEU 44 3HD1 LEU 44 -5.367 0.487 -3.476 340 HD21 LEU 44 3HD2 LEU 44 -5.514 -1.977 -2.742 341 HD22 LEU 44 1HD2 LEU 44 -5.362 -1.398 -1.082 342 HD23 LEU 44 2HD2 LEU 44 -4.242 -2.609 -1.690 343 H ALA 45 H ALA 45 -0.240 -1.341 -4.819 344 HA ALA 45 HA ALA 45 -0.779 -2.361 -7.400 345 HB1 ALA 45 1HB ALA 45 1.395 -1.499 -8.010 346 HB2 ALA 45 2HB ALA 45 1.825 -1.323 -6.308 347 HB3 ALA 45 3HB ALA 45 0.540 -0.333 -6.999 348 H GLN 46 H GLN 46 0.830 -3.768 -4.695 349 HA GLN 46 HA GLN 46 2.137 -5.750 -6.363 350 HB2 GLN 46 2HB GLN 46 2.019 -5.515 -3.356 351 HB3 GLN 46 1HB GLN 46 2.871 -6.792 -4.209 352 HG2 GLN 46 2HG GLN 46 3.474 -3.842 -4.271 353 HG3 GLN 46 1HG GLN 46 4.430 -5.110 -3.508 354 HE21 GLN 46 1HE2 GLN 46 5.629 -6.516 -4.827 355 HE22 GLN 46 2HE2 GLN 46 5.971 -6.126 -6.476 356 H VAL 47 H VAL 47 -0.710 -5.484 -4.389 357 HA VAL 47 HA VAL 47 -1.176 -8.333 -4.677 358 HB VAL 47 HB VAL 47 -3.130 -8.076 -3.231 359 HG11 VAL 47 1HG1 VAL 47 -0.931 -8.410 -2.221 360 HG12 VAL 47 2HG1 VAL 47 -1.982 -7.451 -1.182 361 HG13 VAL 47 3HG1 VAL 47 -0.714 -6.661 -2.120 362 HG21 VAL 47 3HG2 VAL 47 -3.618 -5.899 -2.144 363 HG22 VAL 47 1HG2 VAL 47 -3.888 -5.859 -3.889 364 HG23 VAL 47 2HG2 VAL 47 -2.432 -5.141 -3.206 365 H LEU 48 H LEU 48 -2.449 -5.366 -5.968 366 HA LEU 48 HA LEU 48 -4.284 -6.947 -7.607 367 HB2 LEU 48 2HB LEU 48 -3.957 -3.958 -7.336 368 HB3 LEU 48 1HB LEU 48 -5.164 -4.767 -8.307 369 HG LEU 48 HG LEU 48 -5.000 -4.775 -5.281 370 HD11 LEU 48 1HD1 LEU 48 -6.904 -3.390 -7.152 371 HD12 LEU 48 2HD1 LEU 48 -5.659 -2.620 -6.169 372 HD13 LEU 48 3HD1 LEU 48 -7.028 -3.423 -5.394 373 HD21 LEU 48 3HD2 LEU 48 -7.085 -5.909 -7.123 374 HD22 LEU 48 1HD2 LEU 48 -7.184 -5.849 -5.363 375 HD23 LEU 48 2HD2 LEU 48 -5.948 -6.842 -6.138 376 H ASP 49 H ASP 49 -3.598 -7.402 -9.590 377 HA ASP 49 HA ASP 49 -1.123 -6.224 -10.469 378 HB2 ASP 49 2HB ASP 49 -1.838 -8.666 -10.944 379 HB3 ASP 49 1HB ASP 49 -2.878 -7.998 -12.192 380 H GLN 50 H GLN 50 -1.466 -5.817 -13.181 381 HA GLN 50 HA GLN 50 -2.028 -3.107 -13.056 382 HB2 GLN 50 2HB GLN 50 -0.465 -4.139 -14.616 383 HB3 GLN 50 1HB GLN 50 -1.809 -4.828 -15.511 384 HG2 GLN 50 2HG GLN 50 -0.975 -2.903 -16.663 385 HG3 GLN 50 1HG GLN 50 -2.579 -2.549 -16.038 386 HE21 GLN 50 1HE2 GLN 50 -0.395 -0.792 -16.820 387 HE22 GLN 50 2HE2 GLN 50 -0.083 0.222 -15.455 388 H SER 51 H SER 51 -4.178 -5.700 -14.219 389 HA SER 51 HA SER 51 -5.989 -3.707 -15.264 390 HB2 SER 51 2HB SER 51 -6.550 -6.680 -14.969 391 HB3 SER 51 1HB SER 51 -7.381 -5.509 -15.973 392 HG SER 51 HG SER 51 -4.798 -5.363 -16.525 393 H ALA 52 H ALA 52 -5.630 -5.624 -12.391 394 HA ALA 52 HA ALA 52 -8.208 -5.080 -11.347 395 HB1 ALA 52 1HB ALA 52 -5.668 -5.886 -9.930 396 HB2 ALA 52 2HB ALA 52 -6.903 -6.977 -10.561 397 HB3 ALA 52 3HB ALA 52 -7.284 -5.897 -9.221 398 H ARG 53 H ARG 53 -5.084 -3.526 -11.138 399 HA ARG 53 HA ARG 53 -5.808 -1.503 -9.303 400 HB2 ARG 53 2HB ARG 53 -3.718 -1.541 -11.488 401 HB3 ARG 53 1HB ARG 53 -3.881 -0.238 -10.317 402 HG2 ARG 53 2HG ARG 53 -3.409 -3.109 -9.544 403 HG3 ARG 53 1HG ARG 53 -2.115 -1.934 -9.788 404 HD2 ARG 53 2HD ARG 53 -4.387 -1.583 -7.819 405 HD3 ARG 53 1HD ARG 53 -2.808 -2.220 -7.409 406 HE ARG 53 HE ARG 53 -1.935 -0.063 -8.400 407 HH11 ARG 53 1HH1 ARG 53 -4.993 -0.160 -6.602 408 HH12 ARG 53 2HH1 ARG 53 -4.866 1.482 -6.125 409 HH21 ARG 53 1HH2 ARG 53 -1.784 2.083 -7.666 410 HH22 ARG 53 2HH2 ARG 53 -3.024 2.755 -6.697 411 H ALA 54 H ALA 54 -5.943 -1.666 -12.823 412 HA ALA 54 HA ALA 54 -7.013 0.911 -13.235 413 HB1 ALA 54 1HB ALA 54 -6.008 -0.417 -15.036 414 HB2 ALA 54 2HB ALA 54 -7.650 0.080 -15.444 415 HB3 ALA 54 3HB ALA 54 -7.335 -1.574 -14.920 416 H ARG 55 H ARG 55 -8.499 -2.243 -12.675 417 HA ARG 55 HA ARG 55 -11.172 -1.535 -13.025 418 HB2 ARG 55 2HB ARG 55 -10.083 -3.852 -12.775 419 HB3 ARG 55 1HB ARG 55 -10.201 -3.577 -11.044 420 HG2 ARG 55 2HG ARG 55 -12.065 -4.874 -11.727 421 HG3 ARG 55 1HG ARG 55 -12.653 -3.243 -11.345 422 HD2 ARG 55 2HD ARG 55 -12.583 -2.667 -13.727 423 HD3 ARG 55 1HD ARG 55 -12.000 -4.286 -14.091 424 HE ARG 55 HE ARG 55 -14.567 -3.916 -12.790 425 HH11 ARG 55 1HH1 ARG 55 -12.645 -5.065 -15.556 426 HH12 ARG 55 2HH1 ARG 55 -13.986 -5.486 -16.510 427 HH21 ARG 55 1HH2 ARG 55 -16.452 -4.555 -14.095 428 HH22 ARG 55 2HH2 ARG 55 -16.213 -5.183 -15.654 429 H LEU 56 H LEU 56 -9.011 -1.376 -10.281 430 HA LEU 56 HA LEU 56 -10.901 -0.727 -8.329 431 HB2 LEU 56 2HB LEU 56 -8.609 -1.455 -7.797 432 HB3 LEU 56 1HB LEU 56 -7.979 0.043 -8.450 433 HG LEU 56 HG LEU 56 -9.139 1.301 -6.682 434 HD11 LEU 56 1HD1 LEU 56 -9.911 -1.420 -5.651 435 HD12 LEU 56 2HD1 LEU 56 -10.991 -0.204 -6.331 436 HD13 LEU 56 3HD1 LEU 56 -10.157 0.114 -4.811 437 HD21 LEU 56 3HD2 LEU 56 -7.405 -0.937 -5.649 438 HD22 LEU 56 1HD2 LEU 56 -7.740 0.579 -4.815 439 HD23 LEU 56 2HD2 LEU 56 -6.833 0.586 -6.327 440 H SER 57 H SER 57 -8.866 1.300 -10.406 441 HA SER 57 HA SER 57 -9.763 3.798 -9.535 442 HB2 SER 57 2HB SER 57 -8.853 2.941 -12.277 443 HB3 SER 57 1HB SER 57 -8.828 4.582 -11.636 444 HG SER 57 HG SER 57 -6.848 3.138 -11.565 445 H ASN 58 H ASN 58 -10.841 1.681 -12.085 446 HA ASN 58 HA ASN 58 -12.919 3.133 -13.201 447 HB2 ASN 58 2HB ASN 58 -12.142 1.112 -14.255 448 HB3 ASN 58 1HB ASN 58 -12.584 0.149 -12.852 449 HD21 ASN 58 1HD2 ASN 58 -13.740 1.791 -15.668 450 HD22 ASN 58 2HD2 ASN 58 -15.311 1.101 -15.693 451 H LEU 59 H LEU 59 -13.118 0.855 -10.431 452 HA LEU 59 HA LEU 59 -15.858 1.435 -10.075 453 HB2 LEU 59 2HB LEU 59 -15.573 0.257 -7.930 454 HB3 LEU 59 1HB LEU 59 -15.224 -0.741 -9.371 455 HG LEU 59 HG LEU 59 -12.779 0.023 -8.486 456 HD11 LEU 59 1HD1 LEU 59 -13.576 1.342 -6.666 457 HD12 LEU 59 2HD1 LEU 59 -12.851 -0.125 -5.975 458 HD13 LEU 59 3HD1 LEU 59 -14.592 0.032 -6.087 459 HD21 LEU 59 3HD2 LEU 59 -14.427 -2.252 -7.385 460 HD22 LEU 59 1HD2 LEU 59 -12.669 -2.131 -7.310 461 HD23 LEU 59 2HD2 LEU 59 -13.476 -2.273 -8.871 462 H ALA 60 H ALA 60 -12.974 2.595 -8.759 463 HA ALA 60 HA ALA 60 -13.875 4.137 -6.594 464 HB1 ALA 60 1HB ALA 60 -11.629 4.884 -8.457 465 HB2 ALA 60 2HB ALA 60 -11.488 3.751 -7.120 466 HB3 ALA 60 3HB ALA 60 -11.855 5.451 -6.800 467 H LEU 61 H LEU 61 -13.747 4.914 -10.008 468 HA LEU 61 HA LEU 61 -14.461 7.629 -9.683 469 HB2 LEU 61 2HB LEU 61 -13.260 6.597 -11.650 470 HB3 LEU 61 1HB LEU 61 -14.859 5.976 -12.045 471 HG LEU 61 HG LEU 61 -15.720 8.253 -12.329 472 HD11 LEU 61 1HD1 LEU 61 -12.896 9.098 -11.760 473 HD12 LEU 61 2HD1 LEU 61 -14.306 9.417 -10.748 474 HD13 LEU 61 3HD1 LEU 61 -14.174 10.159 -12.346 475 HD21 LEU 61 3HD2 LEU 61 -13.207 7.749 -13.923 476 HD22 LEU 61 1HD2 LEU 61 -14.499 8.864 -14.364 477 HD23 LEU 61 2HD2 LEU 61 -14.821 7.135 -14.295 478 H VAL 62 H VAL 62 -16.313 4.706 -9.914 479 HA VAL 62 HA VAL 62 -18.688 6.305 -10.357 480 HB VAL 62 HB VAL 62 -19.975 4.192 -10.612 481 HG11 VAL 62 1HG1 VAL 62 -19.061 5.279 -12.563 482 HG12 VAL 62 2HG1 VAL 62 -19.010 3.527 -12.763 483 HG13 VAL 62 3HG1 VAL 62 -17.537 4.412 -12.361 484 HG21 VAL 62 3HG2 VAL 62 -18.629 2.698 -9.224 485 HG22 VAL 62 1HG2 VAL 62 -17.283 2.862 -10.352 486 HG23 VAL 62 2HG2 VAL 62 -18.768 2.059 -10.862 487 H LYS 63 H LYS 63 -17.435 4.095 -7.862 488 HA LYS 63 HA LYS 63 -19.219 5.451 -5.990 489 HB2 LYS 63 2HB LYS 63 -18.977 2.441 -6.104 490 HB3 LYS 63 1HB LYS 63 -19.850 3.350 -4.897 491 HG2 LYS 63 2HG LYS 63 -21.437 4.131 -6.551 492 HG3 LYS 63 1HG LYS 63 -20.550 3.299 -7.829 493 HD2 LYS 63 2HD LYS 63 -21.931 2.006 -5.476 494 HD3 LYS 63 1HD LYS 63 -22.516 2.021 -7.141 495 HE2 LYS 63 2HE LYS 63 -20.436 0.816 -7.809 496 HE3 LYS 63 1HE LYS 63 -20.010 0.718 -6.104 497 HZ1 LYS 63 3HZ LYS 63 -21.086 -1.310 -6.873 498 HZ2 LYS 63 1HZ LYS 63 -22.456 -0.437 -7.305 499 HZ3 LYS 63 2HZ LYS 63 -21.991 -0.564 -5.688 500 HA PRO 64 HA PRO 64 -14.916 5.119 -4.442 501 HB2 PRO 64 2HB PRO 64 -15.017 7.418 -2.971 502 HB3 PRO 64 1HB PRO 64 -14.587 7.373 -4.685 503 HG2 PRO 64 2HG PRO 64 -17.185 8.057 -3.395 504 HG3 PRO 64 1HG PRO 64 -16.389 8.824 -4.779 505 HD2 PRO 64 2HD PRO 64 -18.444 7.095 -5.046 506 HD3 PRO 64 1HD PRO 64 -17.151 7.219 -6.258 507 H GLU 65 H GLU 65 -17.947 5.157 -2.973 508 HA GLU 65 HA GLU 65 -17.280 4.981 -0.226 509 HB2 GLU 65 2HB GLU 65 -19.652 3.817 -1.707 510 HB3 GLU 65 1HB GLU 65 -19.495 3.857 0.035 511 HG2 GLU 65 2HG GLU 65 -20.992 5.586 -0.719 512 HG3 GLU 65 1HG GLU 65 -19.543 6.311 -0.036 513 H LYS 66 H LYS 66 -17.791 2.646 -2.784 514 HA LYS 66 HA LYS 66 -17.288 0.412 -1.038 515 HB2 LYS 66 2HB LYS 66 -17.508 0.366 -4.053 516 HB3 LYS 66 1HB LYS 66 -17.643 -1.005 -2.962 517 HG2 LYS 66 2HG LYS 66 -19.605 1.248 -3.361 518 HG3 LYS 66 1HG LYS 66 -19.841 -0.468 -3.668 519 HD2 LYS 66 2HD LYS 66 -19.498 0.826 -0.950 520 HD3 LYS 66 1HD LYS 66 -21.016 0.266 -1.634 521 HE2 LYS 66 2HE LYS 66 -20.183 -2.029 -1.616 522 HE3 LYS 66 1HE LYS 66 -18.632 -1.476 -0.982 523 HZ1 LYS 66 3HZ LYS 66 -20.017 -2.295 0.849 524 HZ2 LYS 66 1HZ LYS 66 -21.249 -1.220 0.412 525 HZ3 LYS 66 2HZ LYS 66 -19.810 -0.639 0.985 526 H THR 67 H THR 67 -15.475 2.384 -3.259 527 HA THR 67 HA THR 67 -13.255 0.793 -3.651 528 HB THR 67 HB THR 67 -13.047 3.724 -3.128 529 HG1 THR 67 1HG THR 67 -14.272 2.390 -5.359 530 HG21 THR 67 3HG2 THR 67 -11.503 3.602 -5.009 531 HG22 THR 67 1HG2 THR 67 -11.927 1.906 -5.262 532 HG23 THR 67 2HG2 THR 67 -11.071 2.391 -3.801 533 H LYS 68 H LYS 68 -14.123 3.001 -0.997 534 HA LYS 68 HA LYS 68 -11.749 2.875 0.470 535 HB2 LYS 68 2HB LYS 68 -14.569 3.149 1.522 536 HB3 LYS 68 1HB LYS 68 -13.123 3.438 2.471 537 HG2 LYS 68 2HG LYS 68 -12.529 5.266 0.891 538 HG3 LYS 68 1HG LYS 68 -14.078 5.005 0.090 539 HD2 LYS 68 2HD LYS 68 -13.711 5.776 2.993 540 HD3 LYS 68 1HD LYS 68 -14.152 6.876 1.689 541 HE2 LYS 68 2HE LYS 68 -16.223 5.634 1.332 542 HE3 LYS 68 1HE LYS 68 -15.782 4.494 2.598 543 HZ1 LYS 68 3HZ LYS 68 -17.324 6.105 3.479 544 HZ2 LYS 68 1HZ LYS 68 -16.373 7.390 2.937 545 HZ3 LYS 68 2HZ LYS 68 -15.820 6.396 4.163 546 H ALA 69 H ALA 69 -14.610 0.840 0.578 547 HA ALA 69 HA ALA 69 -13.798 -0.800 2.705 548 HB1 ALA 69 1HB ALA 69 -16.107 -0.655 1.985 549 HB2 ALA 69 2HB ALA 69 -15.543 -2.325 1.964 550 HB3 ALA 69 3HB ALA 69 -15.692 -1.427 0.453 551 H VAL 70 H VAL 70 -13.511 -1.282 -0.828 552 HA VAL 70 HA VAL 70 -12.260 -3.785 -0.462 553 HB VAL 70 HB VAL 70 -11.537 -3.723 -2.846 554 HG11 VAL 70 1HG1 VAL 70 -13.739 -4.570 -2.243 555 HG12 VAL 70 2HG1 VAL 70 -13.745 -3.805 -3.829 556 HG13 VAL 70 3HG1 VAL 70 -14.409 -2.948 -2.437 557 HG21 VAL 70 3HG2 VAL 70 -12.315 -1.904 -4.299 558 HG22 VAL 70 1HG2 VAL 70 -11.144 -1.340 -3.103 559 HG23 VAL 70 2HG2 VAL 70 -12.861 -1.025 -2.867 560 H GLU 71 H GLU 71 -10.852 -0.552 -0.930 561 HA GLU 71 HA GLU 71 -8.184 -1.448 -0.989 562 HB2 GLU 71 2HB GLU 71 -9.307 1.166 0.042 563 HB3 GLU 71 1HB GLU 71 -7.589 0.850 -0.172 564 HG2 GLU 71 2HG GLU 71 -8.073 0.508 -2.600 565 HG3 GLU 71 1HG GLU 71 -9.726 1.036 -2.279 566 H ASN 72 H ASN 72 -10.286 -0.455 1.691 567 HA ASN 72 HA ASN 72 -8.560 -0.662 3.805 568 HB2 ASN 72 2HB ASN 72 -10.851 0.305 3.812 569 HB3 ASN 72 1HB ASN 72 -11.506 -1.318 3.709 570 HD21 ASN 72 1HD2 ASN 72 -10.002 1.041 5.689 571 HD22 ASN 72 2HD2 ASN 72 -10.246 0.224 7.185 572 H TYR 73 H TYR 73 -10.508 -3.135 2.205 573 HA TYR 73 HA TYR 73 -9.823 -5.155 4.084 574 HB2 TYR 73 2HB TYR 73 -11.926 -5.176 2.711 575 HB3 TYR 73 1HB TYR 73 -10.943 -5.571 1.305 576 HD1 TYR 73 1HD TYR 73 -11.074 -6.771 4.829 577 HD2 TYR 73 2HD TYR 73 -11.159 -7.820 0.707 578 HE1 TYR 73 1HE TYR 73 -11.230 -9.112 5.449 579 HE2 TYR 73 2HE TYR 73 -11.324 -10.193 1.299 580 HH TYR 73 HH TYR 73 -11.931 -11.123 4.624 581 H LEU 74 H LEU 74 -8.679 -4.368 0.798 582 HA LEU 74 HA LEU 74 -6.874 -6.505 0.601 583 HB2 LEU 74 2HB LEU 74 -7.007 -3.859 -0.792 584 HB3 LEU 74 1HB LEU 74 -5.552 -4.833 -0.891 585 HG LEU 74 HG LEU 74 -6.990 -5.110 -2.868 586 HD11 LEU 74 1HD1 LEU 74 -5.526 -6.915 -2.248 587 HD12 LEU 74 2HD1 LEU 74 -7.019 -7.536 -2.949 588 HD13 LEU 74 3HD1 LEU 74 -6.770 -7.602 -1.206 589 HD21 LEU 74 3HD2 LEU 74 -8.991 -6.326 -0.967 590 HD22 LEU 74 1HD2 LEU 74 -9.105 -6.332 -2.727 591 HD23 LEU 74 2HD2 LEU 74 -9.188 -4.809 -1.842 592 H ILE 75 H ILE 75 -6.378 -3.247 1.894 593 HA ILE 75 HA ILE 75 -3.650 -3.425 2.420 594 HB ILE 75 HB ILE 75 -5.813 -1.970 3.965 595 HG12 ILE 75 2HG1 ILE 75 -3.803 -0.972 1.916 596 HG13 ILE 75 1HG1 ILE 75 -5.512 -1.250 1.633 597 HG21 ILE 75 1HG2 ILE 75 -2.817 -1.639 4.231 598 HG22 ILE 75 2HG2 ILE 75 -3.905 -2.301 5.447 599 HG23 ILE 75 3HG2 ILE 75 -4.035 -0.606 4.981 600 HD11 ILE 75 3HD1 ILE 75 -4.363 0.778 3.529 601 HD12 ILE 75 1HD1 ILE 75 -6.074 0.515 3.206 602 HD13 ILE 75 2HD1 ILE 75 -5.013 1.112 1.925 603 H GLN 76 H GLN 76 -6.380 -4.413 4.441 604 HA GLN 76 HA GLN 76 -4.879 -5.293 6.678 605 HB2 GLN 76 2HB GLN 76 -7.620 -6.064 5.706 606 HB3 GLN 76 1HB GLN 76 -6.941 -6.627 7.222 607 HG2 GLN 76 2HG GLN 76 -6.866 -4.389 8.076 608 HG3 GLN 76 1HG GLN 76 -7.361 -3.741 6.509 609 HE21 GLN 76 1HE2 GLN 76 -9.436 -3.960 5.860 610 HE22 GLN 76 2HE2 GLN 76 -10.741 -4.355 6.901 611 H MET 77 H MET 77 -6.306 -7.052 3.976 612 HA MET 77 HA MET 77 -5.458 -9.592 4.793 613 HB2 MET 77 2HB MET 77 -7.328 -9.202 3.252 614 HB3 MET 77 1HB MET 77 -6.199 -8.595 2.048 615 HG2 MET 77 2HG MET 77 -5.254 -10.752 1.741 616 HG3 MET 77 1HG MET 77 -6.132 -11.395 3.127 617 HE1 MET 77 3HE MET 77 -8.295 -10.046 -0.730 618 HE2 MET 77 1HE MET 77 -6.563 -9.846 -0.499 619 HE3 MET 77 2HE MET 77 -7.701 -8.923 0.488 620 H ALA 78 H ALA 78 -3.952 -7.173 2.669 621 HA ALA 78 HA ALA 78 -1.734 -8.750 1.902 622 HB1 ALA 78 1HB ALA 78 -0.696 -6.640 1.241 623 HB2 ALA 78 2HB ALA 78 -1.904 -5.745 2.160 624 HB3 ALA 78 3HB ALA 78 -2.389 -6.667 0.739 625 H ARG 79 H ARG 79 -2.324 -6.550 4.585 626 HA ARG 79 HA ARG 79 0.232 -6.553 5.728 627 HB2 ARG 79 2HB ARG 79 -1.512 -4.957 6.362 628 HB3 ARG 79 1HB ARG 79 -2.472 -6.256 7.051 629 HG2 ARG 79 2HG ARG 79 -0.741 -6.636 8.737 630 HG3 ARG 79 1HG ARG 79 0.211 -5.321 8.044 631 HD2 ARG 79 2HD ARG 79 -1.001 -4.525 9.979 632 HD3 ARG 79 1HD ARG 79 -1.628 -3.766 8.521 633 HE ARG 79 HE ARG 79 -3.093 -6.105 9.244 634 HH11 ARG 79 1HH1 ARG 79 -2.736 -2.653 9.898 635 HH12 ARG 79 2HH1 ARG 79 -4.283 -2.444 10.567 636 HH21 ARG 79 1HH2 ARG 79 -5.349 -5.828 10.169 637 HH22 ARG 79 2HH2 ARG 79 -5.766 -4.292 10.719 638 H TYR 80 H TYR 80 -2.503 -8.747 6.138 639 HA TYR 80 HA TYR 80 -1.268 -10.242 8.243 640 HB2 TYR 80 2HB TYR 80 -3.567 -11.072 6.459 641 HB3 TYR 80 1HB TYR 80 -3.092 -11.874 7.953 642 HD1 TYR 80 2HD TYR 80 -2.533 -9.336 9.549 643 HD2 TYR 80 1HD TYR 80 -5.783 -10.452 7.039 644 HE1 TYR 80 2HE TYR 80 -3.978 -7.781 10.738 645 HE2 TYR 80 1HE TYR 80 -7.242 -8.874 8.242 646 HH TYR 80 HH TYR 80 -7.307 -7.768 10.435 647 H GLY 81 H GLY 81 -0.688 -10.124 4.980 648 HA2 GLY 81 2HA GLY 81 0.915 -11.266 3.784 649 HA3 GLY 81 1HA GLY 81 1.179 -12.294 5.188 650 H GLN 82 H GLN 82 -1.936 -11.759 3.754 651 HA GLN 82 HA GLN 82 -2.242 -14.605 3.366 652 HB2 GLN 82 2HB GLN 82 -4.134 -12.299 3.015 653 HB3 GLN 82 1HB GLN 82 -4.572 -13.965 2.689 654 HG2 GLN 82 2HG GLN 82 -4.115 -14.528 5.016 655 HG3 GLN 82 1HG GLN 82 -3.705 -12.844 5.346 656 HE21 GLN 82 1HE2 GLN 82 -6.203 -15.080 4.599 657 HE22 GLN 82 2HE2 GLN 82 -7.551 -14.085 5.017 658 H LEU 83 H LEU 83 -1.088 -12.110 1.488 659 HA LEU 83 HA LEU 83 -2.236 -13.238 -0.890 660 HB2 LEU 83 2HB LEU 83 -0.808 -10.677 -0.423 661 HB3 LEU 83 1HB LEU 83 -0.749 -11.377 -2.022 662 HG LEU 83 HG LEU 83 -2.495 -9.738 -1.932 663 HD11 LEU 83 1HD1 LEU 83 -3.700 -12.492 -2.016 664 HD12 LEU 83 2HD1 LEU 83 -2.870 -11.680 -3.332 665 HD13 LEU 83 3HD1 LEU 83 -4.380 -11.023 -2.713 666 HD21 LEU 83 3HD2 LEU 83 -4.445 -9.968 -0.469 667 HD22 LEU 83 1HD2 LEU 83 -2.963 -9.749 0.460 668 HD23 LEU 83 2HD2 LEU 83 -3.684 -11.351 0.321 669 H SER 84 H SER 84 -1.156 -13.806 -2.657 670 HA SER 84 HA SER 84 1.526 -14.260 -2.866 671 HB2 SER 84 2HB SER 84 0.835 -16.168 -1.259 672 HB3 SER 84 1HB SER 84 -0.258 -16.713 -2.530 673 HG SER 84 HG SER 84 1.642 -16.916 -3.908 674 H GLU 85 H GLU 85 1.593 -13.923 -4.887 675 HA GLU 85 HA GLU 85 1.195 -13.768 -7.064 676 HB2 GLU 85 2HB GLU 85 -1.203 -15.466 -6.445 677 HB3 GLU 85 1HB GLU 85 -0.917 -14.867 -8.077 678 HG2 GLU 85 2HG GLU 85 -0.157 -17.139 -8.001 679 HG3 GLU 85 1HG GLU 85 1.290 -16.142 -7.975 680 H LYS 86 H LYS 86 -0.721 -12.742 -8.549 681 HA LYS 86 HA LYS 86 -1.568 -10.503 -6.935 682 HB2 LYS 86 2HB LYS 86 -1.438 -10.887 -9.916 683 HB3 LYS 86 1HB LYS 86 -2.147 -9.498 -9.130 684 HG2 LYS 86 2HG LYS 86 -0.001 -8.806 -9.799 685 HG3 LYS 86 1HG LYS 86 0.144 -9.128 -8.071 686 HD2 LYS 86 2HD LYS 86 1.163 -11.270 -8.531 687 HD3 LYS 86 1HD LYS 86 0.911 -11.050 -10.262 688 HE2 LYS 86 2HE LYS 86 2.661 -9.358 -8.483 689 HE3 LYS 86 1HE LYS 86 3.208 -10.551 -9.661 690 HZ1 LYS 86 3HZ LYS 86 2.113 -9.154 -11.407 691 HZ2 LYS 86 1HZ LYS 86 3.373 -8.359 -10.609 692 HZ3 LYS 86 2HZ LYS 86 1.779 -8.008 -10.248 693 H VAL 87 H VAL 87 -3.652 -9.614 -7.328 694 HA VAL 87 HA VAL 87 -5.696 -11.648 -7.706 695 HB VAL 87 HB VAL 87 -5.908 -8.810 -6.634 696 HG11 VAL 87 1HG1 VAL 87 -8.006 -9.595 -7.575 697 HG12 VAL 87 2HG1 VAL 87 -8.120 -9.481 -5.817 698 HG13 VAL 87 3HG1 VAL 87 -7.919 -11.053 -6.589 699 HG21 VAL 87 3HG2 VAL 87 -5.852 -11.420 -5.120 700 HG22 VAL 87 1HG2 VAL 87 -6.159 -9.833 -4.414 701 HG23 VAL 87 2HG2 VAL 87 -4.588 -10.192 -5.133 702 H SER 88 H SER 88 -6.977 -11.557 -9.459 703 HA SER 88 HA SER 88 -6.365 -9.640 -11.527 704 HB2 SER 88 2HB SER 88 -8.185 -12.060 -11.512 705 HB3 SER 88 1HB SER 88 -7.619 -11.195 -12.939 706 HG SER 88 HG SER 88 -6.515 -13.214 -12.144 707 H GLU 89 H GLU 89 -8.561 -9.088 -12.871 708 HA GLU 89 HA GLU 89 -9.969 -7.207 -11.367 709 HB2 GLU 89 2HB GLU 89 -10.612 -8.494 -14.007 710 HB3 GLU 89 1HB GLU 89 -11.561 -7.165 -13.335 711 HG2 GLU 89 2HG GLU 89 -9.510 -5.799 -13.386 712 HG3 GLU 89 1HG GLU 89 -8.674 -7.159 -14.136 713 H GLN 90 H GLN 90 -10.993 -10.395 -12.465 714 HA GLN 90 HA GLN 90 -13.569 -10.361 -11.345 715 HB2 GLN 90 2HB GLN 90 -11.742 -12.666 -11.973 716 HB3 GLN 90 1HB GLN 90 -13.399 -12.867 -11.454 717 HG2 GLN 90 2HG GLN 90 -12.568 -11.381 -13.937 718 HG3 GLN 90 1HG GLN 90 -13.115 -13.058 -13.896 719 HE21 GLN 90 1HE2 GLN 90 -14.049 -9.743 -13.748 720 HE22 GLN 90 2HE2 GLN 90 -15.746 -10.007 -13.737 721 H GLY 91 H GLY 91 -10.462 -11.176 -9.956 722 HA2 GLY 91 2HA GLY 91 -11.442 -12.344 -7.555 723 HA3 GLY 91 1HA GLY 91 -9.825 -11.691 -7.803 724 H LEU 92 H LEU 92 -10.496 -9.076 -8.466 725 HA LEU 92 HA LEU 92 -10.902 -7.907 -5.921 726 HB2 LEU 92 2HB LEU 92 -9.588 -6.810 -7.679 727 HB3 LEU 92 1HB LEU 92 -11.023 -6.665 -8.672 728 HG LEU 92 HG LEU 92 -11.999 -5.119 -7.002 729 HD11 LEU 92 1HD1 LEU 92 -9.308 -5.318 -5.668 730 HD12 LEU 92 2HD1 LEU 92 -10.846 -5.883 -5.009 731 HD13 LEU 92 3HD1 LEU 92 -10.574 -4.160 -5.264 732 HD21 LEU 92 3HD2 LEU 92 -10.546 -3.215 -7.521 733 HD22 LEU 92 1HD2 LEU 92 -10.812 -4.240 -8.930 734 HD23 LEU 92 2HD2 LEU 92 -9.284 -4.326 -8.051 735 H ILE 93 H ILE 93 -12.957 -8.443 -8.697 736 HA ILE 93 HA ILE 93 -15.217 -7.077 -7.718 737 HB ILE 93 HB ILE 93 -14.998 -9.283 -9.801 738 HG12 ILE 93 2HG1 ILE 93 -15.377 -6.298 -10.137 739 HG13 ILE 93 1HG1 ILE 93 -13.824 -7.114 -10.242 740 HG21 ILE 93 1HG2 ILE 93 -17.233 -8.611 -10.569 741 HG22 ILE 93 2HG2 ILE 93 -17.364 -7.495 -9.207 742 HG23 ILE 93 3HG2 ILE 93 -17.284 -9.234 -8.919 743 HD11 ILE 93 3HD1 ILE 93 -14.736 -6.624 -12.438 744 HD12 ILE 93 1HD1 ILE 93 -16.181 -7.569 -12.070 745 HD13 ILE 93 2HD1 ILE 93 -14.600 -8.356 -12.181 746 H GLU 94 H GLU 94 -14.042 -10.342 -7.287 747 HA GLU 94 HA GLU 94 -16.300 -11.520 -6.086 748 HB2 GLU 94 2HB GLU 94 -14.055 -12.532 -6.966 749 HB3 GLU 94 1HB GLU 94 -13.414 -12.139 -5.391 750 HG2 GLU 94 2HG GLU 94 -15.769 -13.970 -5.828 751 HG3 GLU 94 1HG GLU 94 -14.105 -14.524 -5.763 752 H ILE 95 H ILE 95 -13.553 -9.718 -4.783 753 HA ILE 95 HA ILE 95 -14.382 -9.680 -2.060 754 HB ILE 95 HB ILE 95 -12.503 -7.851 -3.603 755 HG12 ILE 95 2HG1 ILE 95 -11.852 -9.935 -1.538 756 HG13 ILE 95 1HG1 ILE 95 -11.873 -10.318 -3.244 757 HG21 ILE 95 1HG2 ILE 95 -11.693 -7.031 -1.434 758 HG22 ILE 95 2HG2 ILE 95 -12.950 -7.966 -0.618 759 HG23 ILE 95 3HG2 ILE 95 -13.394 -6.632 -1.681 760 HD11 ILE 95 3HD1 ILE 95 -10.097 -8.615 -3.570 761 HD12 ILE 95 1HD1 ILE 95 -9.624 -9.925 -2.489 762 HD13 ILE 95 2HD1 ILE 95 -10.079 -8.357 -1.824 763 H LEU 96 H LEU 96 -14.807 -7.454 -4.758 764 HA LEU 96 HA LEU 96 -16.055 -5.320 -3.524 765 HB2 LEU 96 2HB LEU 96 -15.274 -5.397 -5.878 766 HB3 LEU 96 1HB LEU 96 -16.630 -6.429 -6.266 767 HG LEU 96 HG LEU 96 -18.164 -4.573 -5.665 768 HD11 LEU 96 1HD1 LEU 96 -17.256 -2.304 -5.467 769 HD12 LEU 96 2HD1 LEU 96 -15.623 -2.956 -5.485 770 HD13 LEU 96 3HD1 LEU 96 -16.707 -3.337 -4.148 771 HD21 LEU 96 3HD2 LEU 96 -16.121 -3.976 -7.800 772 HD22 LEU 96 1HD2 LEU 96 -17.724 -3.250 -7.689 773 HD23 LEU 96 2HD2 LEU 96 -17.559 -4.982 -7.979 774 H LYS 97 H LYS 97 -17.436 -8.319 -4.713 775 HA LYS 97 HA LYS 97 -20.158 -7.825 -4.289 776 HB2 LYS 97 2HB LYS 97 -18.600 -10.397 -4.050 777 HB3 LYS 97 1HB LYS 97 -20.350 -10.324 -4.026 778 HG2 LYS 97 2HG LYS 97 -18.880 -9.174 -6.356 779 HG3 LYS 97 1HG LYS 97 -19.007 -10.921 -6.212 780 HD2 LYS 97 2HD LYS 97 -20.781 -10.079 -7.632 781 HD3 LYS 97 1HD LYS 97 -21.462 -10.725 -6.152 782 HE2 LYS 97 2HE LYS 97 -21.775 -8.469 -5.291 783 HE3 LYS 97 1HE LYS 97 -20.997 -7.790 -6.726 784 HZ1 LYS 97 3HZ LYS 97 -23.391 -7.682 -6.950 785 HZ2 LYS 97 1HZ LYS 97 -23.531 -9.338 -6.653 786 HZ3 LYS 97 2HZ LYS 97 -22.782 -8.778 -8.051 787 H LYS 98 H LYS 98 -17.777 -9.313 -2.095 788 HA LYS 98 HA LYS 98 -19.729 -9.602 -0.061 789 HB2 LYS 98 2HB LYS 98 -17.781 -10.266 1.445 790 HB3 LYS 98 1HB LYS 98 -18.135 -11.289 0.070 791 HG2 LYS 98 2HG LYS 98 -16.255 -10.453 -1.134 792 HG3 LYS 98 1HG LYS 98 -15.981 -9.186 0.058 793 HD2 LYS 98 2HD LYS 98 -14.390 -11.082 0.232 794 HD3 LYS 98 1HD LYS 98 -15.277 -10.824 1.711 795 HE2 LYS 98 2HE LYS 98 -15.121 -13.199 1.248 796 HE3 LYS 98 1HE LYS 98 -16.795 -12.693 1.084 797 HZ1 LYS 98 3HZ LYS 98 -16.455 -12.658 -1.355 798 HZ2 LYS 98 1HZ LYS 98 -16.140 -14.171 -0.699 799 HZ3 LYS 98 2HZ LYS 98 -14.884 -13.164 -1.139 800 H VAL 99 H VAL 99 -17.419 -7.070 -0.711 801 HA VAL 99 HA VAL 99 -17.834 -5.886 1.871 802 HB VAL 99 HB VAL 99 -16.701 -3.886 1.080 803 HG11 VAL 99 1HG1 VAL 99 -15.286 -6.385 0.186 804 HG12 VAL 99 2HG1 VAL 99 -15.294 -5.688 1.811 805 HG13 VAL 99 3HG1 VAL 99 -14.529 -4.819 0.482 806 HG21 VAL 99 3HG2 VAL 99 -16.716 -5.179 -1.633 807 HG22 VAL 99 1HG2 VAL 99 -15.834 -3.709 -1.210 808 HG23 VAL 99 2HG2 VAL 99 -17.597 -3.727 -1.155 809 H SER 100 H SER 100 -19.576 -5.819 -1.090 810 HA SER 100 HA SER 100 -21.066 -3.487 -0.420 811 HB2 SER 100 2HB SER 100 -21.579 -5.692 -2.416 812 HB3 SER 100 1HB SER 100 -22.453 -4.157 -2.336 813 HG SER 100 HG SER 100 -19.772 -4.667 -3.040 814 H GLN 101 H GLN 101 -21.140 -6.807 0.277 815 HA GLN 101 HA GLN 101 -23.805 -6.825 1.332 816 HB2 GLN 101 2HB GLN 101 -21.507 -8.777 1.559 817 HB3 GLN 101 1HB GLN 101 -23.131 -9.071 2.179 818 HG2 GLN 101 2HG GLN 101 -24.059 -9.068 -0.002 819 HG3 GLN 101 1HG GLN 101 -22.557 -8.481 -0.708 820 HE21 GLN 101 1HE2 GLN 101 -24.171 -10.870 -1.239 821 HE22 GLN 101 2HE2 GLN 101 -23.096 -12.207 -1.093 822 H GLN 102 H GLN 102 -20.657 -7.365 2.836 823 HA GLN 102 HA GLN 102 -21.377 -5.574 5.019 824 HB2 GLN 102 2HB GLN 102 -20.503 -8.423 5.402 825 HB3 GLN 102 1HB GLN 102 -20.411 -7.210 6.672 826 HG2 GLN 102 2HG GLN 102 -22.919 -8.081 5.248 827 HG3 GLN 102 1HG GLN 102 -22.366 -8.577 6.847 828 HE21 GLN 102 1HE2 GLN 102 -21.461 -6.018 7.734 829 HE22 GLN 102 2HE2 GLN 102 -22.833 -5.023 7.960 830 H THR 103 H THR 103 -18.811 -7.923 4.577 831 HA THR 103 HA THR 103 -16.853 -6.065 3.633 832 HB THR 103 HB THR 103 -16.262 -7.499 6.253 833 HG1 THR 103 1HG THR 103 -17.637 -5.158 5.866 834 HG21 THR 103 3HG2 THR 103 -14.338 -6.898 4.862 835 HG22 THR 103 1HG2 THR 103 -14.356 -5.927 6.335 836 HG23 THR 103 2HG2 THR 103 -14.886 -5.222 4.810 837 H GLU 104 H GLU 104 -17.238 -9.065 5.449 838 HA GLU 104 HA GLU 104 -16.527 -10.529 3.079 839 HB2 GLU 104 2HB GLU 104 -15.264 -12.142 4.431 840 HB3 GLU 104 1HB GLU 104 -14.548 -10.548 4.559 841 HG2 GLU 104 2HG GLU 104 -16.373 -11.766 6.621 842 HG3 GLU 104 1HG GLU 104 -14.620 -11.840 6.703 843 H LYS 105 H LYS 105 -17.937 -12.064 2.627 844 HA LYS 105 HA LYS 105 -19.633 -13.120 4.713 845 HB2 LYS 105 2HB LYS 105 -20.606 -12.017 2.062 846 HB3 LYS 105 1HB LYS 105 -21.572 -13.009 3.128 847 HG2 LYS 105 2HG LYS 105 -20.453 -10.410 4.107 848 HG3 LYS 105 1HG LYS 105 -21.872 -10.422 3.072 849 HD2 LYS 105 2HD LYS 105 -22.580 -10.313 5.382 850 HD3 LYS 105 1HD LYS 105 -23.016 -11.886 4.735 851 HE2 LYS 105 2HE LYS 105 -21.185 -12.916 5.885 852 HE3 LYS 105 1HE LYS 105 -20.561 -11.349 6.411 853 HZ1 LYS 105 3HZ LYS 105 -21.762 -12.439 8.176 854 HZ2 LYS 105 1HZ LYS 105 -23.142 -12.588 7.215 855 HZ3 LYS 105 2HZ LYS 105 -22.611 -11.075 7.688 856 H THR 106 H THR 106 -19.736 -15.248 4.464 857 HA THR 106 HA THR 106 -19.095 -16.263 1.841 858 HB THR 106 HB THR 106 -17.198 -16.779 3.216 859 HG1 THR 106 1HG THR 106 -17.060 -18.631 2.437 860 HG21 THR 106 3HG2 THR 106 -19.077 -18.069 5.209 861 HG22 THR 106 1HG2 THR 106 -18.147 -16.587 5.447 862 HG23 THR 106 2HG2 THR 106 -17.314 -18.128 5.283 863 H THR 107 H THR 107 -21.151 -16.301 1.224 864 HA THR 107 HA THR 107 -22.916 -18.006 2.747 865 HB THR 107 HB THR 107 -23.907 -15.819 2.401 866 HG1 THR 107 1HG THR 107 -25.472 -17.371 2.282 867 HG21 THR 107 3HG2 THR 107 -24.441 -14.956 0.132 868 HG22 THR 107 1HG2 THR 107 -23.488 -16.263 -0.566 869 HG23 THR 107 2HG2 THR 107 -22.708 -15.033 0.437 870 H THR 108 H THR 108 -23.515 -19.851 2.010 871 HA THR 108 HA THR 108 -23.221 -20.526 -0.781 872 HB THR 108 HB THR 108 -22.031 -22.148 1.512 873 HG1 THR 108 1HG THR 108 -21.103 -20.088 0.070 874 HG21 THR 108 3HG2 THR 108 -21.817 -22.503 -1.491 875 HG22 THR 108 1HG2 THR 108 -22.784 -23.504 -0.403 876 HG23 THR 108 2HG2 THR 108 -21.030 -23.504 -0.265 877 H VAL 109 H VAL 109 -24.718 -22.244 -1.297 878 HA VAL 109 HA VAL 109 -26.704 -23.226 -1.238 879 HB VAL 109 HB VAL 109 -26.417 -23.355 1.795 880 HG11 VAL 109 1HG1 VAL 109 -28.725 -23.653 1.066 881 HG12 VAL 109 2HG1 VAL 109 -28.064 -25.169 1.680 882 HG13 VAL 109 3HG1 VAL 109 -28.221 -24.915 -0.059 883 HG21 VAL 109 3HG2 VAL 109 -24.591 -24.509 0.690 884 HG22 VAL 109 1HG2 VAL 109 -25.747 -25.397 -0.304 885 HG23 VAL 109 2HG2 VAL 109 -25.694 -25.668 1.441 886 H LYS 110 H LYS 110 -27.710 -21.559 -2.019 887 HA LYS 110 HA LYS 110 -29.665 -20.298 -0.425 888 HB2 LYS 110 2HB LYS 110 -27.662 -18.939 0.185 889 HB3 LYS 110 1HB LYS 110 -27.480 -18.503 -1.503 890 HG2 LYS 110 2HG LYS 110 -29.586 -17.312 -1.460 891 HG3 LYS 110 1HG LYS 110 -29.863 -17.834 0.204 892 HD2 LYS 110 2HD LYS 110 -27.806 -16.647 0.886 893 HD3 LYS 110 1HD LYS 110 -27.620 -16.073 -0.769 894 HE2 LYS 110 2HE LYS 110 -28.645 -14.372 0.663 895 HE3 LYS 110 1HE LYS 110 -29.734 -14.884 -0.620 896 HZ1 LYS 110 3HZ LYS 110 -30.963 -16.207 0.923 897 HZ2 LYS 110 1HZ LYS 110 -30.816 -14.678 1.566 898 HZ3 LYS 110 2HZ LYS 110 -29.876 -15.945 2.168 899 H PHE 111 H PHE 111 -27.717 -19.561 -3.302 900 HA PHE 111 HA PHE 111 -30.067 -18.932 -4.875 901 HB2 PHE 111 2HB PHE 111 -27.159 -19.106 -5.714 902 HB3 PHE 111 1HB PHE 111 -28.465 -18.393 -6.646 903 HD1 PHE 111 2HD PHE 111 -29.452 -16.244 -5.941 904 HD2 PHE 111 1HD PHE 111 -26.099 -17.937 -3.952 905 HE1 PHE 111 2HE PHE 111 -28.965 -14.065 -4.906 906 HE2 PHE 111 1HE PHE 111 -25.605 -15.767 -2.914 907 HZ PHE 111 HZ PHE 111 -27.036 -13.829 -3.389 908 H ASN 112 H ASN 112 -27.936 -21.496 -4.242 909 HA ASN 112 HA ASN 112 -29.364 -23.387 -5.792 910 HB2 ASN 112 2HB ASN 112 -27.355 -24.245 -6.950 911 HB3 ASN 112 1HB ASN 112 -27.672 -22.596 -7.466 912 HD21 ASN 112 1HD2 ASN 112 -25.495 -24.700 -5.785 913 HD22 ASN 112 2HD2 ASN 112 -24.214 -23.562 -5.583 Start of MODEL 12 1 H1 GLY 0 1HT GLY 0 -13.046 -4.881 29.920 2 H2 GLY 0 2HT GLY 0 -12.004 -6.054 30.533 3 H3 GLY 0 3HT GLY 0 -13.300 -6.499 29.529 4 HA2 GLY 0 1HA GLY 0 -11.199 -6.539 28.327 5 HA3 GLY 0 2HA GLY 0 -12.316 -5.342 27.681 6 H SER 1 H SER 1 -10.944 -3.817 26.889 7 HA SER 1 HA SER 1 -9.666 -1.998 26.876 8 HB2 SER 1 2HB SER 1 -10.076 -2.117 29.869 9 HB3 SER 1 1HB SER 1 -9.288 -0.767 29.057 10 HG SER 1 HG SER 1 -11.123 -0.044 28.501 11 H ALA 2 H ALA 2 -8.383 -4.599 26.918 12 HA ALA 2 HA ALA 2 -5.986 -4.448 28.453 13 HB1 ALA 2 1HB ALA 2 -5.247 -6.365 27.141 14 HB2 ALA 2 2HB ALA 2 -6.573 -6.119 26.008 15 HB3 ALA 2 3HB ALA 2 -6.913 -6.592 27.673 16 H ASP 3 H ASP 3 -6.803 -3.652 25.115 17 HA ASP 3 HA ASP 3 -4.164 -2.754 24.475 18 HB2 ASP 3 2HB ASP 3 -5.115 -2.054 22.388 19 HB3 ASP 3 1HB ASP 3 -5.846 -3.599 22.784 20 H GLU 4 H GLU 4 -7.079 -1.468 25.729 21 HA GLU 4 HA GLU 4 -6.588 1.262 25.262 22 HB2 GLU 4 2HB GLU 4 -8.824 0.387 25.558 23 HB3 GLU 4 1HB GLU 4 -8.442 -0.090 27.201 24 HG2 GLU 4 2HG GLU 4 -8.327 2.170 27.908 25 HG3 GLU 4 1HG GLU 4 -8.409 2.755 26.246 26 H GLU 5 H GLU 5 -5.813 -0.861 27.965 27 HA GLU 5 HA GLU 5 -5.083 1.174 29.751 28 HB2 GLU 5 2HB GLU 5 -3.930 -0.544 31.043 29 HB3 GLU 5 1HB GLU 5 -5.448 -1.182 30.434 30 HG2 GLU 5 2HG GLU 5 -4.276 -2.365 28.681 31 HG3 GLU 5 1HG GLU 5 -2.744 -1.712 29.248 32 H LEU 6 H LEU 6 -3.376 -0.408 27.152 33 HA LEU 6 HA LEU 6 -0.787 0.540 27.739 34 HB2 LEU 6 2HB LEU 6 -1.445 -1.369 26.177 35 HB3 LEU 6 1HB LEU 6 -1.948 -0.163 25.027 36 HG LEU 6 HG LEU 6 0.912 -0.499 25.987 37 HD11 LEU 6 1HD1 LEU 6 -0.400 -1.499 23.466 38 HD12 LEU 6 2HD1 LEU 6 0.138 -2.488 24.820 39 HD13 LEU 6 3HD1 LEU 6 1.319 -1.605 23.849 40 HD21 LEU 6 3HD2 LEU 6 0.425 1.736 25.069 41 HD22 LEU 6 1HD2 LEU 6 -0.211 0.991 23.600 42 HD23 LEU 6 2HD2 LEU 6 1.495 0.824 24.004 43 H GLU 7 H GLU 7 -3.378 1.654 25.614 44 HA GLU 7 HA GLU 7 -2.229 3.964 24.572 45 HB2 GLU 7 2HB GLU 7 -5.117 3.475 25.314 46 HB3 GLU 7 1HB GLU 7 -4.547 4.762 24.265 47 HG2 GLU 7 2HG GLU 7 -4.296 1.814 23.712 48 HG3 GLU 7 1HG GLU 7 -5.514 2.897 23.029 49 H ALA 8 H ALA 8 -4.332 3.624 27.375 50 HA ALA 8 HA ALA 8 -4.337 6.285 28.225 51 HB1 ALA 8 1HB ALA 8 -4.726 3.795 29.877 52 HB2 ALA 8 2HB ALA 8 -5.980 4.633 28.965 53 HB3 ALA 8 3HB ALA 8 -5.204 5.426 30.337 54 H LEU 9 H LEU 9 -2.260 3.575 29.199 55 HA LEU 9 HA LEU 9 -0.917 4.977 31.231 56 HB2 LEU 9 2HB LEU 9 -1.056 2.479 30.934 57 HB3 LEU 9 1HB LEU 9 0.119 2.639 29.649 58 HG LEU 9 HG LEU 9 1.723 3.586 31.300 59 HD11 LEU 9 1HD1 LEU 9 0.167 4.424 32.948 60 HD12 LEU 9 2HD1 LEU 9 1.232 3.230 33.690 61 HD13 LEU 9 3HD1 LEU 9 -0.416 2.792 33.265 62 HD21 LEU 9 3HD2 LEU 9 2.225 1.449 32.370 63 HD22 LEU 9 1HD2 LEU 9 1.804 1.238 30.671 64 HD23 LEU 9 2HD2 LEU 9 0.626 0.849 31.927 65 H ARG 10 H ARG 10 -0.180 4.375 27.818 66 HA ARG 10 HA ARG 10 2.366 5.535 27.713 67 HB2 ARG 10 2HB ARG 10 1.358 4.179 25.901 68 HB3 ARG 10 1HB ARG 10 0.231 5.477 25.567 69 HG2 ARG 10 2HG ARG 10 2.156 6.934 24.978 70 HG3 ARG 10 1HG ARG 10 3.219 5.537 25.184 71 HD2 ARG 10 2HD ARG 10 2.660 5.790 22.839 72 HD3 ARG 10 1HD ARG 10 1.901 4.327 23.478 73 HE ARG 10 HE ARG 10 0.506 6.885 23.056 74 HH11 ARG 10 1HH1 ARG 10 0.465 3.347 22.931 75 HH12 ARG 10 2HH1 ARG 10 -1.179 3.254 22.443 76 HH21 ARG 10 1HH2 ARG 10 -1.694 6.731 22.377 77 HH22 ARG 10 2HH2 ARG 10 -2.419 5.202 22.104 78 H ARG 11 H ARG 11 -0.839 6.896 27.274 79 HA ARG 11 HA ARG 11 -0.089 9.546 26.670 80 HB2 ARG 11 2HB ARG 11 -2.612 8.455 27.929 81 HB3 ARG 11 1HB ARG 11 -2.419 10.116 27.380 82 HG2 ARG 11 2HG ARG 11 -2.242 9.446 25.120 83 HG3 ARG 11 1HG ARG 11 -2.076 7.746 25.566 84 HD2 ARG 11 2HD ARG 11 -4.360 7.714 26.392 85 HD3 ARG 11 1HD ARG 11 -4.544 9.431 26.026 86 HE ARG 11 HE ARG 11 -3.860 8.407 23.665 87 HH11 ARG 11 1HH1 ARG 11 -6.407 7.414 25.988 88 HH12 ARG 11 2HH1 ARG 11 -7.416 6.791 24.772 89 HH21 ARG 11 1HH2 ARG 11 -5.302 7.490 22.063 90 HH22 ARG 11 2HH2 ARG 11 -6.785 6.800 22.550 91 H GLN 12 H GLN 12 -0.675 7.938 29.746 92 HA GLN 12 HA GLN 12 -0.445 10.248 31.351 93 HB2 GLN 12 2HB GLN 12 -1.447 8.208 32.230 94 HB3 GLN 12 1HB GLN 12 0.066 7.343 32.015 95 HG2 GLN 12 2HG GLN 12 1.115 8.881 33.653 96 HG3 GLN 12 1HG GLN 12 -0.468 9.601 33.926 97 HE21 GLN 12 1HE2 GLN 12 -0.422 9.000 36.065 98 HE22 GLN 12 2HE2 GLN 12 -0.656 7.367 36.587 99 H ARG 13 H ARG 13 1.850 7.673 30.532 100 HA ARG 13 HA ARG 13 4.033 8.776 31.916 101 HB2 ARG 13 2HB ARG 13 4.000 6.800 29.642 102 HB3 ARG 13 1HB ARG 13 5.398 7.141 30.653 103 HG2 ARG 13 2HG ARG 13 4.150 6.374 32.623 104 HG3 ARG 13 1HG ARG 13 2.773 6.001 31.593 105 HD2 ARG 13 2HD ARG 13 3.993 3.981 32.021 106 HD3 ARG 13 1HD ARG 13 4.199 4.432 30.332 107 HE ARG 13 HE ARG 13 6.329 5.566 31.455 108 HH11 ARG 13 1HH1 ARG 13 5.030 2.280 31.817 109 HH12 ARG 13 2HH1 ARG 13 6.553 1.563 32.015 110 HH21 ARG 13 1HH2 ARG 13 8.408 4.559 31.750 111 HH22 ARG 13 2HH2 ARG 13 8.504 2.865 31.976 112 H LEU 14 H LEU 14 2.762 9.385 28.764 113 HA LEU 14 HA LEU 14 4.929 10.630 27.551 114 HB2 LEU 14 2HB LEU 14 2.823 10.019 26.435 115 HB3 LEU 14 1HB LEU 14 1.983 11.245 27.349 116 HG LEU 14 HG LEU 14 3.272 12.990 26.176 117 HD11 LEU 14 1HD1 LEU 14 4.607 12.374 24.217 118 HD12 LEU 14 2HD1 LEU 14 4.407 10.670 24.624 119 HD13 LEU 14 3HD1 LEU 14 5.297 11.740 25.709 120 HD21 LEU 14 3HD2 LEU 14 1.102 12.282 25.327 121 HD22 LEU 14 1HD2 LEU 14 1.877 11.011 24.382 122 HD23 LEU 14 2HD2 LEU 14 2.188 12.700 23.999 123 H ALA 15 H ALA 15 2.488 11.885 29.797 124 HA ALA 15 HA ALA 15 3.474 14.544 29.708 125 HB1 ALA 15 1HB ALA 15 1.149 14.115 30.249 126 HB2 ALA 15 2HB ALA 15 1.939 14.973 31.572 127 HB3 ALA 15 3HB ALA 15 1.631 13.238 31.702 128 H GLU 16 H GLU 16 4.048 11.730 31.614 129 HA GLU 16 HA GLU 16 5.483 12.916 33.723 130 HB2 GLU 16 2HB GLU 16 5.731 10.148 32.543 131 HB3 GLU 16 1HB GLU 16 6.400 10.659 34.086 132 HG2 GLU 16 2HG GLU 16 3.472 10.641 33.398 133 HG3 GLU 16 1HG GLU 16 4.309 9.401 34.331 134 H LEU 17 H LEU 17 6.408 11.611 30.605 135 HA LEU 17 HA LEU 17 9.189 11.964 30.784 136 HB2 LEU 17 2HB LEU 17 7.740 10.670 29.060 137 HB3 LEU 17 1HB LEU 17 7.544 12.204 28.255 138 HG LEU 17 HG LEU 17 10.176 10.768 28.667 139 HD11 LEU 17 1HD1 LEU 17 8.441 11.018 26.223 140 HD12 LEU 17 2HD1 LEU 17 8.740 9.553 27.161 141 HD13 LEU 17 3HD1 LEU 17 10.057 10.313 26.267 142 HD21 LEU 17 3HD2 LEU 17 11.085 12.362 27.054 143 HD22 LEU 17 1HD2 LEU 17 10.460 13.205 28.470 144 HD23 LEU 17 2HD2 LEU 17 9.530 13.188 26.973 145 H GLN 18 H GLN 18 6.664 13.935 29.255 146 HA GLN 18 HA GLN 18 6.260 16.138 29.046 147 HB2 GLN 18 2HB GLN 18 6.772 16.171 31.477 148 HB3 GLN 18 1HB GLN 18 8.426 16.611 31.068 149 HG2 GLN 18 2HG GLN 18 7.551 18.560 29.862 150 HG3 GLN 18 1HG GLN 18 5.947 18.148 30.418 151 HE21 GLN 18 1HE2 GLN 18 8.837 17.818 32.442 152 HE22 GLN 18 2HE2 GLN 18 8.350 19.047 33.552 153 H ALA 19 H ALA 19 9.726 15.667 29.139 154 HA ALA 19 HA ALA 19 10.430 17.970 27.738 155 HB1 ALA 19 1HB ALA 19 12.621 16.957 27.476 156 HB2 ALA 19 2HB ALA 19 11.961 15.380 27.916 157 HB3 ALA 19 3HB ALA 19 12.000 16.684 29.102 158 H LYS 20 H LYS 20 10.412 18.502 25.648 159 HA LYS 20 HA LYS 20 9.947 16.384 23.734 160 HB2 LYS 20 2HB LYS 20 8.738 19.092 23.920 161 HB3 LYS 20 1HB LYS 20 8.704 18.118 22.462 162 HG2 LYS 20 2HG LYS 20 7.499 16.403 23.563 163 HG3 LYS 20 1HG LYS 20 7.713 17.197 25.118 164 HD2 LYS 20 2HD LYS 20 6.379 19.114 24.249 165 HD3 LYS 20 1HD LYS 20 6.125 18.221 22.748 166 HE2 LYS 20 2HE LYS 20 4.194 17.981 24.187 167 HE3 LYS 20 1HE LYS 20 5.032 16.442 24.021 168 HZ1 LYS 20 3HZ LYS 20 4.403 16.824 26.286 169 HZ2 LYS 20 1HZ LYS 20 5.259 18.272 26.358 170 HZ3 LYS 20 2HZ LYS 20 6.055 16.795 26.183 171 H HIS 21 H HIS 21 12.335 16.563 23.782 172 HA HIS 21 HA HIS 21 12.869 17.882 21.284 173 HB2 HIS 21 2HB HIS 21 15.121 18.679 21.935 174 HB3 HIS 21 1HB HIS 21 13.889 19.457 22.896 175 HD1 HIS 21 1HD HIS 21 14.393 19.556 25.358 176 HD2 HIS 21 2HD HIS 21 16.521 16.536 23.437 177 HE1 HIS 21 1HE HIS 21 15.953 18.622 27.074 178 HE2 HIS 21 2HE HIS 21 17.127 16.721 25.929 179 H GLY 22 H GLY 22 12.338 15.221 22.649 180 HA2 GLY 22 2HA GLY 22 14.701 13.747 21.753 181 HA3 GLY 22 1HA GLY 22 13.343 13.083 22.657 182 H ASP 23 H ASP 23 11.960 14.949 20.510 183 HA ASP 23 HA ASP 23 11.456 12.790 18.638 184 HB2 ASP 23 2HB ASP 23 9.554 14.231 17.882 185 HB3 ASP 23 1HB ASP 23 9.447 13.772 19.572 186 HA PRO 24 HA PRO 24 13.770 15.118 15.544 187 HB2 PRO 24 2HB PRO 24 12.404 13.511 13.505 188 HB3 PRO 24 1HB PRO 24 14.110 13.541 13.937 189 HG2 PRO 24 2HG PRO 24 12.593 11.397 14.516 190 HG3 PRO 24 1HG PRO 24 13.888 11.951 15.583 191 HD2 PRO 24 2HD PRO 24 10.937 12.447 15.818 192 HD3 PRO 24 1HD PRO 24 12.106 11.919 17.056 193 H GLY 25 H GLY 25 10.406 14.881 15.858 194 HA2 GLY 25 2HA GLY 25 8.775 16.428 15.526 195 HA3 GLY 25 1HA GLY 25 10.015 17.534 14.972 196 H ASP 26 H ASP 26 9.590 18.274 13.093 197 HA ASP 26 HA ASP 26 7.614 17.369 11.341 198 HB2 ASP 26 2HB ASP 26 8.414 19.673 11.297 199 HB3 ASP 26 1HB ASP 26 9.994 19.134 10.742 200 H ALA 27 H ALA 27 11.057 16.871 11.326 201 HA ALA 27 HA ALA 27 11.366 15.683 8.817 202 HB1 ALA 27 1HB ALA 27 12.970 15.174 11.315 203 HB2 ALA 27 2HB ALA 27 13.217 16.506 10.188 204 HB3 ALA 27 3HB ALA 27 13.478 14.842 9.659 205 H ALA 28 H ALA 28 10.639 14.212 11.964 206 HA ALA 28 HA ALA 28 10.834 11.542 11.052 207 HB1 ALA 28 1HB ALA 28 11.023 12.082 13.422 208 HB2 ALA 28 2HB ALA 28 9.700 10.954 13.145 209 HB3 ALA 28 3HB ALA 28 9.360 12.663 13.422 210 H GLN 29 H GLN 29 8.146 13.731 11.695 211 HA GLN 29 HA GLN 29 6.055 12.023 11.014 212 HB2 GLN 29 2HB GLN 29 6.206 15.032 10.829 213 HB3 GLN 29 1HB GLN 29 4.723 14.098 10.709 214 HG2 GLN 29 2HG GLN 29 5.052 13.268 12.979 215 HG3 GLN 29 1HG GLN 29 6.548 14.189 13.100 216 HE21 GLN 29 1HE2 GLN 29 3.096 14.364 12.961 217 HE22 GLN 29 2HE2 GLN 29 2.951 15.981 13.538 218 H GLN 30 H GLN 30 7.898 14.269 9.045 219 HA GLN 30 HA GLN 30 6.511 14.050 6.614 220 HB2 GLN 30 2HB GLN 30 8.285 15.715 6.976 221 HB3 GLN 30 1HB GLN 30 9.475 14.434 7.125 222 HG2 GLN 30 2HG GLN 30 8.968 13.784 4.784 223 HG3 GLN 30 1HG GLN 30 7.933 15.202 4.669 224 HE21 GLN 30 1HE2 GLN 30 9.158 16.096 3.075 225 HE22 GLN 30 2HE2 GLN 30 10.709 16.799 3.330 226 H GLU 31 H GLU 31 9.428 12.285 7.654 227 HA GLU 31 HA GLU 31 9.364 10.664 5.368 228 HB2 GLU 31 2HB GLU 31 10.930 10.428 7.911 229 HB3 GLU 31 1HB GLU 31 11.153 9.358 6.527 230 HG2 GLU 31 2HG GLU 31 11.409 12.352 6.421 231 HG3 GLU 31 1HG GLU 31 12.764 11.239 6.599 232 H ALA 32 H ALA 32 8.025 10.221 8.561 233 HA ALA 32 HA ALA 32 7.462 7.477 8.236 234 HB1 ALA 32 1HB ALA 32 5.877 7.757 10.089 235 HB2 ALA 32 2HB ALA 32 6.010 9.509 9.943 236 HB3 ALA 32 3HB ALA 32 7.405 8.560 10.448 237 H LYS 33 H LYS 33 5.605 10.421 7.611 238 HA LYS 33 HA LYS 33 3.264 9.135 6.653 239 HB2 LYS 33 2HB LYS 33 3.363 11.476 7.463 240 HB3 LYS 33 1HB LYS 33 4.351 11.899 6.078 241 HG2 LYS 33 2HG LYS 33 2.237 12.625 5.615 242 HG3 LYS 33 1HG LYS 33 2.468 11.167 4.634 243 HD2 LYS 33 2HD LYS 33 1.298 9.848 6.452 244 HD3 LYS 33 1HD LYS 33 0.861 11.387 7.195 245 HE2 LYS 33 2HE LYS 33 -1.015 10.675 5.925 246 HE3 LYS 33 1HE LYS 33 -0.266 11.984 5.021 247 HZ1 LYS 33 3HZ LYS 33 -0.895 10.156 3.588 248 HZ2 LYS 33 1HZ LYS 33 0.024 9.074 4.477 249 HZ3 LYS 33 2HZ LYS 33 0.783 10.303 3.574 250 H HIS 34 H HIS 34 6.172 10.356 5.136 251 HA HIS 34 HA HIS 34 5.670 10.013 2.430 252 HB2 HIS 34 2HB HIS 34 7.689 11.084 3.325 253 HB3 HIS 34 1HB HIS 34 8.184 9.576 4.055 254 HD1 HIS 34 1HD HIS 34 10.378 10.511 2.659 255 HD2 HIS 34 2HD HIS 34 7.306 8.759 0.477 256 HE1 HIS 34 1HE HIS 34 11.417 9.767 0.472 257 HE2 HIS 34 2HE HIS 34 9.553 8.616 -0.770 258 H ARG 35 H ARG 35 7.029 7.713 4.760 259 HA ARG 35 HA ARG 35 7.081 5.586 2.884 260 HB2 ARG 35 2HB ARG 35 7.438 5.597 5.879 261 HB3 ARG 35 1HB ARG 35 7.738 4.209 4.837 262 HG2 ARG 35 2HG ARG 35 9.437 5.476 3.633 263 HG3 ARG 35 1HG ARG 35 9.135 6.866 4.664 264 HD2 ARG 35 2HD ARG 35 9.843 5.584 6.605 265 HD3 ARG 35 1HD ARG 35 10.143 4.179 5.572 266 HE ARG 35 HE ARG 35 11.556 6.353 4.552 267 HH11 ARG 35 1HH1 ARG 35 11.668 4.211 7.365 268 HH12 ARG 35 2HH1 ARG 35 13.337 4.419 7.639 269 HH21 ARG 35 1HH2 ARG 35 13.795 6.673 4.928 270 HH22 ARG 35 2HH2 ARG 35 14.610 5.885 6.191 271 H GLU 36 H GLU 36 4.830 6.770 5.147 272 HA GLU 36 HA GLU 36 3.056 4.648 5.530 273 HB2 GLU 36 2HB GLU 36 3.240 6.942 6.626 274 HB3 GLU 36 1HB GLU 36 2.448 7.600 5.224 275 HG2 GLU 36 2HG GLU 36 1.249 5.608 7.100 276 HG3 GLU 36 1HG GLU 36 1.069 7.339 7.259 277 H ALA 37 H ALA 37 3.051 7.252 3.087 278 HA ALA 37 HA ALA 37 0.992 6.167 1.443 279 HB1 ALA 37 1HB ALA 37 1.687 7.820 -0.170 280 HB2 ALA 37 2HB ALA 37 3.181 8.095 0.724 281 HB3 ALA 37 3HB ALA 37 1.634 8.548 1.437 282 H GLU 38 H GLU 38 4.509 5.875 1.420 283 HA GLU 38 HA GLU 38 4.722 4.498 -0.996 284 HB2 GLU 38 2HB GLU 38 6.387 4.120 1.490 285 HB3 GLU 38 1HB GLU 38 6.773 3.429 -0.067 286 HG2 GLU 38 2HG GLU 38 6.886 5.756 -0.973 287 HG3 GLU 38 1HG GLU 38 6.733 6.331 0.690 288 H MET 39 H MET 39 4.206 3.278 2.258 289 HA MET 39 HA MET 39 4.125 0.552 1.660 290 HB2 MET 39 2HB MET 39 2.791 2.104 3.879 291 HB3 MET 39 1HB MET 39 2.768 0.349 3.774 292 HG2 MET 39 2HG MET 39 5.150 0.248 4.007 293 HG3 MET 39 1HG MET 39 5.279 2.000 3.893 294 HE1 MET 39 3HE MET 39 4.021 -1.025 6.095 295 HE2 MET 39 1HE MET 39 2.561 -0.053 5.897 296 HE3 MET 39 2HE MET 39 3.334 -0.170 7.474 297 H ARG 40 H ARG 40 1.413 2.871 1.912 298 HA ARG 40 HA ARG 40 -0.666 1.085 1.325 299 HB2 ARG 40 2HB ARG 40 -0.479 3.980 0.477 300 HB3 ARG 40 1HB ARG 40 -1.940 3.018 0.453 301 HG2 ARG 40 2HG ARG 40 -1.772 2.813 2.914 302 HG3 ARG 40 1HG ARG 40 -0.385 3.912 2.864 303 HD2 ARG 40 2HD ARG 40 -1.804 5.591 1.728 304 HD3 ARG 40 1HD ARG 40 -3.181 4.504 1.907 305 HE ARG 40 HE ARG 40 -1.734 5.273 4.308 306 HH11 ARG 40 1HH1 ARG 40 -4.652 5.775 2.300 307 HH12 ARG 40 2HH1 ARG 40 -5.485 6.585 3.546 308 HH21 ARG 40 1HH2 ARG 40 -2.904 6.291 5.924 309 HH22 ARG 40 2HH2 ARG 40 -4.509 6.826 5.694 310 H ASN 41 H ASN 41 1.198 3.120 -0.828 311 HA ASN 41 HA ASN 41 -0.079 2.456 -3.219 312 HB2 ASN 41 2HB ASN 41 1.357 4.388 -2.782 313 HB3 ASN 41 1HB ASN 41 2.762 3.344 -2.809 314 HD21 ASN 41 1HD2 ASN 41 0.377 4.923 -4.743 315 HD22 ASN 41 2HD2 ASN 41 1.062 4.545 -6.283 316 H SER 42 H SER 42 2.882 1.138 -1.745 317 HA SER 42 HA SER 42 3.394 -0.569 -3.934 318 HB2 SER 42 2HB SER 42 5.073 -1.643 -2.372 319 HB3 SER 42 1HB SER 42 5.281 0.087 -2.652 320 HG SER 42 HG SER 42 4.511 0.523 -0.689 321 H ILE 43 H ILE 43 1.799 -1.121 -0.783 322 HA ILE 43 HA ILE 43 1.614 -3.879 -1.267 323 HB ILE 43 HB ILE 43 -0.041 -4.057 0.521 324 HG12 ILE 43 2HG1 ILE 43 0.055 -1.021 0.650 325 HG13 ILE 43 1HG1 ILE 43 -1.323 -1.992 0.158 326 HG21 ILE 43 1HG2 ILE 43 2.306 -2.316 1.218 327 HG22 ILE 43 2HG2 ILE 43 2.279 -4.075 1.115 328 HG23 ILE 43 3HG2 ILE 43 1.355 -3.252 2.373 329 HD11 ILE 43 3HD1 ILE 43 -1.471 -2.912 2.418 330 HD12 ILE 43 1HD1 ILE 43 -1.581 -1.150 2.420 331 HD13 ILE 43 2HD1 ILE 43 -0.079 -1.941 2.896 332 H LEU 44 H LEU 44 -0.563 -1.221 -2.010 333 HA LEU 44 HA LEU 44 -2.641 -2.871 -2.986 334 HB2 LEU 44 2HB LEU 44 -1.970 -0.004 -3.626 335 HB3 LEU 44 1HB LEU 44 -3.411 -0.814 -4.201 336 HG LEU 44 HG LEU 44 -2.745 -0.279 -1.298 337 HD11 LEU 44 1HD1 LEU 44 -4.757 1.024 -3.127 338 HD12 LEU 44 2HD1 LEU 44 -3.283 1.761 -2.505 339 HD13 LEU 44 3HD1 LEU 44 -4.587 1.326 -1.400 340 HD21 LEU 44 3HD2 LEU 44 -5.068 -1.010 -0.881 341 HD22 LEU 44 1HD2 LEU 44 -4.081 -2.310 -1.548 342 HD23 LEU 44 2HD2 LEU 44 -5.222 -1.451 -2.578 343 H ALA 45 H ALA 45 0.094 -1.272 -4.591 344 HA ALA 45 HA ALA 45 -0.518 -2.101 -7.190 345 HB1 ALA 45 1HB ALA 45 1.761 -1.486 -7.743 346 HB2 ALA 45 2HB ALA 45 2.198 -1.520 -6.036 347 HB3 ALA 45 3HB ALA 45 1.073 -0.303 -6.626 348 H GLN 46 H GLN 46 0.940 -3.919 -4.583 349 HA GLN 46 HA GLN 46 1.788 -5.964 -6.511 350 HB2 GLN 46 2HB GLN 46 2.937 -7.088 -4.689 351 HB3 GLN 46 1HB GLN 46 3.421 -5.404 -4.754 352 HG2 GLN 46 2HG GLN 46 1.966 -4.888 -2.908 353 HG3 GLN 46 1HG GLN 46 1.395 -6.550 -2.852 354 HE21 GLN 46 1HE2 GLN 46 2.790 -8.149 -2.103 355 HE22 GLN 46 2HE2 GLN 46 4.173 -7.765 -1.148 356 H VAL 47 H VAL 47 -0.588 -5.543 -3.921 357 HA VAL 47 HA VAL 47 -1.357 -8.297 -4.091 358 HB VAL 47 HB VAL 47 -1.724 -6.943 -1.985 359 HG11 VAL 47 1HG1 VAL 47 -2.507 -4.886 -2.978 360 HG12 VAL 47 2HG1 VAL 47 -3.626 -5.493 -1.759 361 HG13 VAL 47 3HG1 VAL 47 -4.005 -5.686 -3.473 362 HG21 VAL 47 3HG2 VAL 47 -3.909 -7.901 -1.417 363 HG22 VAL 47 1HG2 VAL 47 -2.908 -9.064 -2.287 364 HG23 VAL 47 2HG2 VAL 47 -4.204 -8.221 -3.125 365 H LEU 48 H LEU 48 -2.287 -5.361 -5.655 366 HA LEU 48 HA LEU 48 -4.330 -6.872 -7.090 367 HB2 LEU 48 2HB LEU 48 -3.862 -3.906 -6.910 368 HB3 LEU 48 1HB LEU 48 -5.066 -4.661 -7.928 369 HG LEU 48 HG LEU 48 -5.020 -4.705 -4.904 370 HD11 LEU 48 1HD1 LEU 48 -5.545 -2.519 -5.799 371 HD12 LEU 48 2HD1 LEU 48 -6.973 -3.273 -5.083 372 HD13 LEU 48 3HD1 LEU 48 -6.783 -3.229 -6.836 373 HD21 LEU 48 3HD2 LEU 48 -7.274 -5.676 -5.138 374 HD22 LEU 48 1HD2 LEU 48 -6.008 -6.718 -5.792 375 HD23 LEU 48 2HD2 LEU 48 -7.020 -5.770 -6.879 376 H ASP 49 H ASP 49 -3.831 -7.527 -9.004 377 HA ASP 49 HA ASP 49 -1.453 -6.886 -10.371 378 HB2 ASP 49 2HB ASP 49 -2.677 -8.995 -10.781 379 HB3 ASP 49 1HB ASP 49 -4.051 -8.086 -11.402 380 H GLN 50 H GLN 50 -1.419 -5.816 -12.458 381 HA GLN 50 HA GLN 50 -2.191 -3.161 -12.520 382 HB2 GLN 50 2HB GLN 50 -0.505 -4.137 -14.023 383 HB3 GLN 50 1HB GLN 50 -1.764 -4.981 -14.903 384 HG2 GLN 50 2HG GLN 50 -2.720 -2.775 -15.536 385 HG3 GLN 50 1HG GLN 50 -1.340 -2.003 -14.762 386 HE21 GLN 50 1HE2 GLN 50 -2.418 -3.899 -17.430 387 HE22 GLN 50 2HE2 GLN 50 -0.989 -3.751 -18.388 388 H SER 51 H SER 51 -3.928 -5.966 -13.710 389 HA SER 51 HA SER 51 -5.987 -4.582 -15.036 390 HB2 SER 51 2HB SER 51 -7.149 -6.824 -14.862 391 HB3 SER 51 1HB SER 51 -5.575 -6.848 -15.649 392 HG SER 51 HG SER 51 -4.662 -7.695 -13.797 393 H ALA 52 H ALA 52 -5.779 -6.024 -11.825 394 HA ALA 52 HA ALA 52 -8.384 -5.267 -11.033 395 HB1 ALA 52 1HB ALA 52 -7.692 -5.913 -8.793 396 HB2 ALA 52 2HB ALA 52 -6.004 -5.960 -9.313 397 HB3 ALA 52 3HB ALA 52 -7.165 -7.108 -9.976 398 H ARG 53 H ARG 53 -5.217 -3.776 -10.744 399 HA ARG 53 HA ARG 53 -5.901 -1.583 -9.131 400 HB2 ARG 53 2HB ARG 53 -3.820 -1.865 -11.310 401 HB3 ARG 53 1HB ARG 53 -3.974 -0.412 -10.340 402 HG2 ARG 53 2HG ARG 53 -3.412 -3.156 -9.158 403 HG3 ARG 53 1HG ARG 53 -2.179 -1.979 -9.588 404 HD2 ARG 53 2HD ARG 53 -4.425 -1.473 -7.641 405 HD3 ARG 53 1HD ARG 53 -2.797 -1.975 -7.198 406 HE ARG 53 HE ARG 53 -2.255 0.140 -8.665 407 HH11 ARG 53 1HH1 ARG 53 -4.655 -0.152 -6.066 408 HH12 ARG 53 2HH1 ARG 53 -4.511 1.495 -5.625 409 HH21 ARG 53 1HH2 ARG 53 -2.075 2.315 -8.004 410 HH22 ARG 53 2HH2 ARG 53 -3.028 2.910 -6.697 411 H ALA 54 H ALA 54 -6.189 -2.023 -12.632 412 HA ALA 54 HA ALA 54 -7.119 0.582 -13.207 413 HB1 ALA 54 1HB ALA 54 -6.290 -0.952 -14.952 414 HB2 ALA 54 2HB ALA 54 -7.912 -0.366 -15.326 415 HB3 ALA 54 3HB ALA 54 -7.689 -1.994 -14.690 416 H ARG 55 H ARG 55 -8.754 -2.388 -12.303 417 HA ARG 55 HA ARG 55 -11.401 -1.372 -12.553 418 HB2 ARG 55 2HB ARG 55 -10.246 -3.793 -11.193 419 HB3 ARG 55 1HB ARG 55 -11.908 -3.341 -10.869 420 HG2 ARG 55 2HG ARG 55 -11.542 -5.112 -12.660 421 HG3 ARG 55 1HG ARG 55 -12.567 -3.752 -13.109 422 HD2 ARG 55 2HD ARG 55 -10.841 -2.749 -14.334 423 HD3 ARG 55 1HD ARG 55 -9.630 -3.883 -13.727 424 HE ARG 55 HE ARG 55 -11.125 -5.554 -15.030 425 HH11 ARG 55 1HH1 ARG 55 -10.469 -2.220 -16.102 426 HH12 ARG 55 2HH1 ARG 55 -10.339 -2.666 -17.730 427 HH21 ARG 55 1HH2 ARG 55 -10.947 -6.090 -17.154 428 HH22 ARG 55 2HH2 ARG 55 -10.623 -4.928 -18.386 429 H LEU 56 H LEU 56 -9.153 -1.517 -9.863 430 HA LEU 56 HA LEU 56 -10.891 -0.526 -7.879 431 HB2 LEU 56 2HB LEU 56 -8.667 -1.534 -7.406 432 HB3 LEU 56 1HB LEU 56 -7.898 -0.123 -8.101 433 HG LEU 56 HG LEU 56 -8.959 1.267 -6.320 434 HD11 LEU 56 1HD1 LEU 56 -9.718 -1.399 -5.166 435 HD12 LEU 56 2HD1 LEU 56 -10.816 -0.152 -5.758 436 HD13 LEU 56 3HD1 LEU 56 -9.822 0.150 -4.334 437 HD21 LEU 56 3HD2 LEU 56 -6.644 0.525 -6.116 438 HD22 LEU 56 1HD2 LEU 56 -7.186 -0.971 -5.357 439 HD23 LEU 56 2HD2 LEU 56 -7.436 0.570 -4.543 440 H SER 57 H SER 57 -8.824 1.073 -10.221 441 HA SER 57 HA SER 57 -9.288 3.709 -9.367 442 HB2 SER 57 2HB SER 57 -7.402 3.070 -10.834 443 HB3 SER 57 1HB SER 57 -8.538 2.639 -12.108 444 HG SER 57 HG SER 57 -8.189 5.244 -11.003 445 H ASN 58 H ASN 58 -10.863 1.674 -11.826 446 HA ASN 58 HA ASN 58 -12.760 3.483 -12.793 447 HB2 ASN 58 2HB ASN 58 -12.396 1.313 -13.864 448 HB3 ASN 58 1HB ASN 58 -13.025 0.487 -12.444 449 HD21 ASN 58 1HD2 ASN 58 -13.819 2.266 -15.287 450 HD22 ASN 58 2HD2 ASN 58 -15.525 2.036 -15.225 451 H LEU 59 H LEU 59 -13.111 1.116 -10.153 452 HA LEU 59 HA LEU 59 -15.702 1.862 -9.477 453 HB2 LEU 59 2HB LEU 59 -13.583 0.305 -8.098 454 HB3 LEU 59 1HB LEU 59 -14.939 0.865 -7.147 455 HG LEU 59 HG LEU 59 -15.280 -1.437 -7.864 456 HD11 LEU 59 1HD1 LEU 59 -17.238 -0.046 -7.588 457 HD12 LEU 59 2HD1 LEU 59 -17.483 -1.226 -8.877 458 HD13 LEU 59 3HD1 LEU 59 -17.150 0.455 -9.275 459 HD21 LEU 59 3HD2 LEU 59 -15.616 -2.017 -10.232 460 HD22 LEU 59 1HD2 LEU 59 -13.973 -1.441 -9.936 461 HD23 LEU 59 2HD2 LEU 59 -15.157 -0.379 -10.695 462 H ALA 60 H ALA 60 -12.654 3.230 -8.518 463 HA ALA 60 HA ALA 60 -13.634 4.780 -6.344 464 HB1 ALA 60 1HB ALA 60 -11.246 4.309 -6.718 465 HB2 ALA 60 2HB ALA 60 -11.576 6.035 -6.537 466 HB3 ALA 60 3HB ALA 60 -11.289 5.354 -8.139 467 H LEU 61 H LEU 61 -13.501 5.241 -9.778 468 HA LEU 61 HA LEU 61 -14.096 8.034 -9.681 469 HB2 LEU 61 2HB LEU 61 -14.153 6.067 -11.954 470 HB3 LEU 61 1HB LEU 61 -14.346 7.802 -12.143 471 HG LEU 61 HG LEU 61 -11.870 6.413 -11.099 472 HD11 LEU 61 1HD1 LEU 61 -12.203 5.993 -13.462 473 HD12 LEU 61 2HD1 LEU 61 -10.842 7.084 -13.202 474 HD13 LEU 61 3HD1 LEU 61 -12.387 7.721 -13.760 475 HD21 LEU 61 3HD2 LEU 61 -12.116 8.635 -10.135 476 HD22 LEU 61 1HD2 LEU 61 -12.378 9.319 -11.742 477 HD23 LEU 61 2HD2 LEU 61 -10.817 8.623 -11.329 478 H VAL 62 H VAL 62 -15.939 5.100 -9.918 479 HA VAL 62 HA VAL 62 -18.313 6.659 -10.417 480 HB VAL 62 HB VAL 62 -19.569 4.481 -10.495 481 HG11 VAL 62 1HG1 VAL 62 -17.220 4.785 -12.354 482 HG12 VAL 62 2HG1 VAL 62 -18.801 5.554 -12.524 483 HG13 VAL 62 3HG1 VAL 62 -18.649 3.805 -12.677 484 HG21 VAL 62 3HG2 VAL 62 -18.275 2.399 -10.737 485 HG22 VAL 62 1HG2 VAL 62 -18.059 3.104 -9.131 486 HG23 VAL 62 2HG2 VAL 62 -16.802 3.291 -10.357 487 H LYS 63 H LYS 63 -17.391 4.318 -7.838 488 HA LYS 63 HA LYS 63 -18.775 6.067 -5.996 489 HB2 LYS 63 2HB LYS 63 -19.397 3.123 -6.165 490 HB3 LYS 63 1HB LYS 63 -19.804 4.129 -4.796 491 HG2 LYS 63 2HG LYS 63 -21.149 5.520 -6.518 492 HG3 LYS 63 1HG LYS 63 -20.993 4.084 -7.539 493 HD2 LYS 63 2HD LYS 63 -22.162 4.158 -4.749 494 HD3 LYS 63 1HD LYS 63 -23.073 4.019 -6.248 495 HE2 LYS 63 2HE LYS 63 -22.195 1.851 -6.680 496 HE3 LYS 63 1HE LYS 63 -20.988 2.002 -5.405 497 HZ1 LYS 63 3HZ LYS 63 -23.910 1.986 -4.923 498 HZ2 LYS 63 1HZ LYS 63 -22.691 1.931 -3.765 499 HZ3 LYS 63 2HZ LYS 63 -22.932 0.616 -4.798 500 HA PRO 64 HA PRO 64 -14.783 4.892 -4.152 501 HB2 PRO 64 2HB PRO 64 -15.361 7.247 -2.483 502 HB3 PRO 64 1HB PRO 64 -13.949 6.912 -3.484 503 HG2 PRO 64 2HG PRO 64 -15.791 8.763 -4.135 504 HG3 PRO 64 1HG PRO 64 -14.886 7.848 -5.353 505 HD2 PRO 64 2HD PRO 64 -17.701 7.520 -4.422 506 HD3 PRO 64 1HD PRO 64 -17.011 7.303 -6.045 507 H GLU 65 H GLU 65 -17.881 5.290 -3.076 508 HA GLU 65 HA GLU 65 -18.092 4.808 -0.397 509 HB2 GLU 65 2HB GLU 65 -19.941 5.197 -1.979 510 HB3 GLU 65 1HB GLU 65 -19.632 3.635 -2.709 511 HG2 GLU 65 2HG GLU 65 -20.188 2.652 -0.436 512 HG3 GLU 65 1HG GLU 65 -20.852 4.245 -0.053 513 H LYS 66 H LYS 66 -18.023 2.412 -3.032 514 HA LYS 66 HA LYS 66 -17.585 0.242 -1.227 515 HB2 LYS 66 2HB LYS 66 -17.824 0.280 -4.248 516 HB3 LYS 66 1HB LYS 66 -17.561 -1.174 -3.270 517 HG2 LYS 66 2HG LYS 66 -19.876 0.643 -2.806 518 HG3 LYS 66 1HG LYS 66 -19.919 -0.760 -3.891 519 HD2 LYS 66 2HD LYS 66 -19.367 -2.242 -2.113 520 HD3 LYS 66 1HD LYS 66 -19.054 -0.924 -1.000 521 HE2 LYS 66 2HE LYS 66 -21.678 -1.529 -2.268 522 HE3 LYS 66 1HE LYS 66 -21.175 -2.063 -0.652 523 HZ1 LYS 66 3HZ LYS 66 -21.628 0.751 -1.558 524 HZ2 LYS 66 1HZ LYS 66 -20.972 0.318 -0.048 525 HZ3 LYS 66 2HZ LYS 66 -22.524 -0.139 -0.464 526 H THR 67 H THR 67 -15.644 2.212 -3.337 527 HA THR 67 HA THR 67 -13.383 0.680 -3.619 528 HB THR 67 HB THR 67 -13.330 3.644 -3.126 529 HG1 THR 67 1HG THR 67 -13.752 2.800 -5.710 530 HG21 THR 67 3HG2 THR 67 -11.197 2.458 -3.552 531 HG22 THR 67 1HG2 THR 67 -11.614 3.581 -4.846 532 HG23 THR 67 2HG2 THR 67 -11.867 1.848 -5.068 533 H LYS 68 H LYS 68 -14.215 2.969 -0.988 534 HA LYS 68 HA LYS 68 -11.822 2.707 0.468 535 HB2 LYS 68 2HB LYS 68 -14.592 3.369 1.457 536 HB3 LYS 68 1HB LYS 68 -13.122 3.594 2.388 537 HG2 LYS 68 2HG LYS 68 -12.316 5.239 0.805 538 HG3 LYS 68 1HG LYS 68 -13.706 4.955 -0.238 539 HD2 LYS 68 2HD LYS 68 -13.776 6.079 2.563 540 HD3 LYS 68 1HD LYS 68 -13.982 7.004 1.077 541 HE2 LYS 68 2HE LYS 68 -15.978 5.584 0.560 542 HE3 LYS 68 1HE LYS 68 -15.800 4.854 2.152 543 HZ1 LYS 68 3HZ LYS 68 -16.122 7.057 3.146 544 HZ2 LYS 68 1HZ LYS 68 -17.427 6.598 2.185 545 HZ3 LYS 68 2HZ LYS 68 -16.344 7.716 1.598 546 H ALA 69 H ALA 69 -14.703 0.789 0.385 547 HA ALA 69 HA ALA 69 -14.117 -0.749 2.702 548 HB1 ALA 69 1HB ALA 69 -15.891 -2.249 1.935 549 HB2 ALA 69 2HB ALA 69 -15.915 -1.438 0.370 550 HB3 ALA 69 3HB ALA 69 -16.407 -0.566 1.822 551 H VAL 70 H VAL 70 -13.734 -1.386 -0.811 552 HA VAL 70 HA VAL 70 -12.410 -3.819 -0.301 553 HB VAL 70 HB VAL 70 -11.732 -3.881 -2.678 554 HG11 VAL 70 1HG1 VAL 70 -13.947 -3.948 -3.665 555 HG12 VAL 70 2HG1 VAL 70 -14.585 -3.021 -2.313 556 HG13 VAL 70 3HG1 VAL 70 -13.964 -4.648 -2.043 557 HG21 VAL 70 3HG2 VAL 70 -11.287 -1.513 -3.040 558 HG22 VAL 70 1HG2 VAL 70 -13.005 -1.165 -2.851 559 HG23 VAL 70 2HG2 VAL 70 -12.443 -2.123 -4.228 560 H GLU 71 H GLU 71 -11.132 -0.546 -0.799 561 HA GLU 71 HA GLU 71 -8.426 -1.189 -0.953 562 HB2 GLU 71 2HB GLU 71 -9.764 1.210 0.296 563 HB3 GLU 71 1HB GLU 71 -8.022 1.066 0.128 564 HG2 GLU 71 2HG GLU 71 -8.299 0.907 -2.306 565 HG3 GLU 71 1HG GLU 71 -10.037 1.114 -2.098 566 H ASN 72 H ASN 72 -10.405 -0.559 1.924 567 HA ASN 72 HA ASN 72 -8.512 -0.904 3.895 568 HB2 ASN 72 2HB ASN 72 -10.857 -0.099 4.182 569 HB3 ASN 72 1HB ASN 72 -11.413 -1.751 3.954 570 HD21 ASN 72 1HD2 ASN 72 -9.882 0.470 6.028 571 HD22 ASN 72 2HD2 ASN 72 -9.844 -0.518 7.440 572 H TYR 73 H TYR 73 -10.481 -3.261 2.178 573 HA TYR 73 HA TYR 73 -9.744 -5.505 3.723 574 HB2 TYR 73 2HB TYR 73 -11.799 -5.347 2.293 575 HB3 TYR 73 1HB TYR 73 -10.763 -5.476 0.879 576 HD1 TYR 73 2HD TYR 73 -12.162 -7.258 3.754 577 HD2 TYR 73 1HD TYR 73 -9.779 -7.622 0.247 578 HE1 TYR 73 2HE TYR 73 -12.328 -9.702 3.898 579 HE2 TYR 73 1HE TYR 73 -9.914 -10.066 0.403 580 HH TYR 73 HH TYR 73 -10.409 -11.803 2.022 581 H LEU 74 H LEU 74 -8.601 -4.305 0.556 582 HA LEU 74 HA LEU 74 -6.700 -6.385 0.272 583 HB2 LEU 74 2HB LEU 74 -6.942 -3.749 -1.157 584 HB3 LEU 74 1HB LEU 74 -5.558 -4.799 -1.382 585 HG LEU 74 HG LEU 74 -7.048 -5.110 -3.204 586 HD11 LEU 74 1HD1 LEU 74 -5.893 -7.076 -2.455 587 HD12 LEU 74 2HD1 LEU 74 -7.472 -7.486 -3.123 588 HD13 LEU 74 3HD1 LEU 74 -7.235 -7.490 -1.381 589 HD21 LEU 74 3HD2 LEU 74 -9.197 -5.797 -1.209 590 HD22 LEU 74 1HD2 LEU 74 -9.334 -5.963 -2.961 591 HD23 LEU 74 2HD2 LEU 74 -9.140 -4.364 -2.233 592 H ILE 75 H ILE 75 -6.416 -3.153 1.633 593 HA ILE 75 HA ILE 75 -3.650 -3.192 2.086 594 HB ILE 75 HB ILE 75 -5.889 -1.859 3.648 595 HG12 ILE 75 2HG1 ILE 75 -3.809 -0.724 1.760 596 HG13 ILE 75 1HG1 ILE 75 -5.493 -1.039 1.359 597 HG21 ILE 75 1HG2 ILE 75 -4.189 -0.492 4.796 598 HG22 ILE 75 2HG2 ILE 75 -2.920 -1.489 4.085 599 HG23 ILE 75 3HG2 ILE 75 -4.068 -2.201 5.214 600 HD11 ILE 75 3HD1 ILE 75 -5.066 1.324 1.785 601 HD12 ILE 75 1HD1 ILE 75 -4.512 0.936 3.410 602 HD13 ILE 75 2HD1 ILE 75 -6.196 0.655 2.963 603 H GLN 76 H GLN 76 -6.336 -4.421 4.012 604 HA GLN 76 HA GLN 76 -4.769 -5.334 6.172 605 HB2 GLN 76 2HB GLN 76 -7.251 -4.934 6.191 606 HB3 GLN 76 1HB GLN 76 -7.435 -6.417 5.265 607 HG2 GLN 76 2HG GLN 76 -7.858 -6.841 7.597 608 HG3 GLN 76 1HG GLN 76 -6.384 -7.666 7.088 609 HE21 GLN 76 1HE2 GLN 76 -7.691 -5.056 8.937 610 HE22 GLN 76 2HE2 GLN 76 -6.258 -4.734 9.853 611 H MET 77 H MET 77 -6.052 -6.931 3.287 612 HA MET 77 HA MET 77 -5.183 -9.527 3.773 613 HB2 MET 77 2HB MET 77 -6.765 -8.953 1.999 614 HB3 MET 77 1HB MET 77 -5.484 -8.116 1.131 615 HG2 MET 77 2HG MET 77 -4.304 -10.193 0.776 616 HG3 MET 77 1HG MET 77 -5.489 -11.067 1.739 617 HE1 MET 77 3HE MET 77 -6.154 -12.351 -1.913 618 HE2 MET 77 1HE MET 77 -5.718 -12.806 -0.266 619 HE3 MET 77 2HE MET 77 -4.586 -11.883 -1.256 620 H ALA 78 H ALA 78 -3.581 -6.824 2.132 621 HA ALA 78 HA ALA 78 -1.222 -8.244 1.469 622 HB1 ALA 78 1HB ALA 78 -0.311 -6.095 0.843 623 HB2 ALA 78 2HB ALA 78 -1.634 -5.267 1.671 624 HB3 ALA 78 3HB ALA 78 -1.962 -6.248 0.243 625 H ARG 79 H ARG 79 -2.240 -6.375 4.240 626 HA ARG 79 HA ARG 79 0.261 -6.023 5.493 627 HB2 ARG 79 2HB ARG 79 -2.004 -4.956 6.103 628 HB3 ARG 79 1HB ARG 79 -2.346 -6.453 6.952 629 HG2 ARG 79 2HG ARG 79 -0.427 -6.102 8.403 630 HG3 ARG 79 1HG ARG 79 -0.039 -4.611 7.540 631 HD2 ARG 79 2HD ARG 79 -2.379 -3.830 8.148 632 HD3 ARG 79 1HD ARG 79 -2.442 -5.199 9.251 633 HE ARG 79 HE ARG 79 -0.160 -4.022 9.986 634 HH11 ARG 79 1HH1 ARG 79 -3.461 -2.820 9.650 635 HH12 ARG 79 2HH1 ARG 79 -3.180 -1.403 10.571 636 HH21 ARG 79 1HH2 ARG 79 0.187 -2.086 11.314 637 HH22 ARG 79 2HH2 ARG 79 -1.106 -0.985 11.516 638 H TYR 80 H TYR 80 -2.021 -8.653 5.393 639 HA TYR 80 HA TYR 80 -0.696 -10.249 7.353 640 HB2 TYR 80 2HB TYR 80 -2.656 -11.069 5.202 641 HB3 TYR 80 1HB TYR 80 -2.093 -12.111 6.497 642 HD1 TYR 80 1HD TYR 80 -2.191 -10.187 8.778 643 HD2 TYR 80 2HD TYR 80 -4.947 -10.917 5.623 644 HE1 TYR 80 1HE TYR 80 -4.016 -9.443 10.216 645 HE2 TYR 80 2HE TYR 80 -6.793 -10.166 7.062 646 HH TYR 80 HH TYR 80 -7.297 -9.946 9.400 647 H GLY 81 H GLY 81 -0.251 -9.617 4.023 648 HA2 GLY 81 2HA GLY 81 1.316 -10.315 2.505 649 HA3 GLY 81 1HA GLY 81 2.191 -11.019 3.862 650 H GLN 82 H GLN 82 -1.072 -11.867 3.093 651 HA GLN 82 HA GLN 82 -0.179 -14.619 2.635 652 HB2 GLN 82 2HB GLN 82 -2.838 -13.528 3.538 653 HB3 GLN 82 1HB GLN 82 -2.534 -15.223 3.199 654 HG2 GLN 82 2HG GLN 82 -0.997 -13.624 5.214 655 HG3 GLN 82 1HG GLN 82 -2.428 -14.576 5.616 656 HE21 GLN 82 1HE2 GLN 82 -1.252 -15.863 7.003 657 HE22 GLN 82 2HE2 GLN 82 -0.118 -17.055 6.474 658 H LEU 83 H LEU 83 -0.516 -12.309 0.690 659 HA LEU 83 HA LEU 83 -2.442 -13.481 -1.120 660 HB2 LEU 83 2HB LEU 83 -1.978 -11.635 -2.624 661 HB3 LEU 83 1HB LEU 83 -2.225 -11.005 -1.018 662 HG LEU 83 HG LEU 83 0.558 -11.369 -1.317 663 HD11 LEU 83 1HD1 LEU 83 -0.663 -10.112 -3.740 664 HD12 LEU 83 2HD1 LEU 83 0.332 -11.559 -3.656 665 HD13 LEU 83 3HD1 LEU 83 1.037 -9.981 -3.280 666 HD21 LEU 83 3HD2 LEU 83 0.623 -8.926 -1.119 667 HD22 LEU 83 1HD2 LEU 83 -0.506 -9.638 0.030 668 HD23 LEU 83 2HD2 LEU 83 -1.111 -8.852 -1.426 669 H SER 84 H SER 84 -1.935 -15.097 -2.404 670 HA SER 84 HA SER 84 0.818 -15.969 -2.542 671 HB2 SER 84 2HB SER 84 -1.665 -17.164 -3.745 672 HB3 SER 84 1HB SER 84 -0.123 -17.984 -3.492 673 HG SER 84 HG SER 84 -0.548 -17.295 -1.165 674 H GLU 85 H GLU 85 -1.728 -14.791 -4.602 675 HA GLU 85 HA GLU 85 0.167 -14.368 -6.808 676 HB2 GLU 85 2HB GLU 85 -2.815 -14.797 -7.000 677 HB3 GLU 85 1HB GLU 85 -1.673 -14.687 -8.314 678 HG2 GLU 85 2HG GLU 85 -0.732 -16.832 -7.690 679 HG3 GLU 85 1HG GLU 85 -1.852 -16.930 -6.327 680 H LYS 86 H LYS 86 -1.001 -12.511 -8.199 681 HA LYS 86 HA LYS 86 -1.833 -10.493 -6.353 682 HB2 LYS 86 2HB LYS 86 -1.813 -10.472 -9.375 683 HB3 LYS 86 1HB LYS 86 -2.188 -9.111 -8.354 684 HG2 LYS 86 2HG LYS 86 -0.018 -8.642 -8.937 685 HG3 LYS 86 1HG LYS 86 0.220 -9.494 -7.416 686 HD2 LYS 86 2HD LYS 86 1.800 -10.352 -8.974 687 HD3 LYS 86 1HD LYS 86 0.555 -11.579 -8.746 688 HE2 LYS 86 2HE LYS 86 -0.566 -10.774 -10.825 689 HE3 LYS 86 1HE LYS 86 0.745 -9.611 -11.004 690 HZ1 LYS 86 3HZ LYS 86 2.290 -11.427 -11.300 691 HZ2 LYS 86 1HZ LYS 86 1.020 -11.587 -12.383 692 HZ3 LYS 86 2HZ LYS 86 1.072 -12.565 -11.044 693 H VAL 87 H VAL 87 -3.884 -9.723 -6.238 694 HA VAL 87 HA VAL 87 -5.952 -11.570 -6.740 695 HB VAL 87 HB VAL 87 -5.996 -8.668 -5.887 696 HG11 VAL 87 1HG1 VAL 87 -8.160 -9.311 -6.863 697 HG12 VAL 87 2HG1 VAL 87 -8.303 -9.087 -5.118 698 HG13 VAL 87 3HG1 VAL 87 -8.228 -10.713 -5.796 699 HG21 VAL 87 3HG2 VAL 87 -6.412 -9.569 -3.639 700 HG22 VAL 87 1HG2 VAL 87 -4.870 -10.106 -4.306 701 HG23 VAL 87 2HG2 VAL 87 -6.249 -11.203 -4.285 702 H SER 88 H SER 88 -7.134 -11.769 -8.477 703 HA SER 88 HA SER 88 -6.471 -10.331 -10.850 704 HB2 SER 88 2HB SER 88 -8.161 -11.909 -11.812 705 HB3 SER 88 1HB SER 88 -6.834 -12.702 -10.946 706 HG SER 88 HG SER 88 -8.198 -13.405 -9.521 707 H GLU 89 H GLU 89 -8.442 -9.722 -12.303 708 HA GLU 89 HA GLU 89 -9.959 -7.634 -11.214 709 HB2 GLU 89 2HB GLU 89 -10.559 -9.400 -13.594 710 HB3 GLU 89 1HB GLU 89 -11.332 -7.866 -13.242 711 HG2 GLU 89 2HG GLU 89 -9.331 -6.669 -13.635 712 HG3 GLU 89 1HG GLU 89 -8.398 -8.169 -13.714 713 H GLN 90 H GLN 90 -10.711 -10.964 -12.000 714 HA GLN 90 HA GLN 90 -13.360 -11.027 -11.166 715 HB2 GLN 90 2HB GLN 90 -11.361 -13.308 -11.261 716 HB3 GLN 90 1HB GLN 90 -13.095 -13.487 -11.085 717 HG2 GLN 90 2HG GLN 90 -12.763 -13.952 -13.324 718 HG3 GLN 90 1HG GLN 90 -13.242 -12.265 -13.352 719 HE21 GLN 90 1HE2 GLN 90 -11.788 -13.811 -15.299 720 HE22 GLN 90 2HE2 GLN 90 -10.292 -12.990 -15.560 721 H GLY 91 H GLY 91 -10.361 -11.831 -9.456 722 HA2 GLY 91 2HA GLY 91 -11.509 -12.626 -7.025 723 HA3 GLY 91 1HA GLY 91 -9.879 -12.004 -7.234 724 H LEU 92 H LEU 92 -10.461 -9.429 -8.142 725 HA LEU 92 HA LEU 92 -11.010 -8.078 -5.728 726 HB2 LEU 92 2HB LEU 92 -9.595 -7.092 -7.458 727 HB3 LEU 92 1HB LEU 92 -10.954 -7.018 -8.559 728 HG LEU 92 HG LEU 92 -12.065 -5.401 -7.034 729 HD11 LEU 92 1HD1 LEU 92 -11.004 -6.005 -4.947 730 HD12 LEU 92 2HD1 LEU 92 -10.750 -4.298 -5.295 731 HD13 LEU 92 3HD1 LEU 92 -9.444 -5.456 -5.556 732 HD21 LEU 92 3HD2 LEU 92 -9.320 -4.598 -7.991 733 HD22 LEU 92 1HD2 LEU 92 -10.641 -3.497 -7.598 734 HD23 LEU 92 2HD2 LEU 92 -10.799 -4.611 -8.956 735 H ILE 93 H ILE 93 -12.935 -8.795 -8.553 736 HA ILE 93 HA ILE 93 -15.192 -7.327 -7.749 737 HB ILE 93 HB ILE 93 -14.909 -9.637 -9.710 738 HG12 ILE 93 2HG1 ILE 93 -15.287 -6.664 -10.158 739 HG13 ILE 93 1HG1 ILE 93 -13.735 -7.479 -10.172 740 HG21 ILE 93 1HG2 ILE 93 -17.310 -7.843 -9.294 741 HG22 ILE 93 2HG2 ILE 93 -17.236 -9.559 -8.891 742 HG23 ILE 93 3HG2 ILE 93 -17.127 -9.043 -10.575 743 HD11 ILE 93 3HD1 ILE 93 -14.471 -8.786 -12.129 744 HD12 ILE 93 1HD1 ILE 93 -14.490 -7.047 -12.408 745 HD13 ILE 93 2HD1 ILE 93 -16.004 -7.909 -12.113 746 H GLU 94 H GLU 94 -14.066 -10.537 -6.947 747 HA GLU 94 HA GLU 94 -16.425 -11.360 -5.617 748 HB2 GLU 94 2HB GLU 94 -13.577 -12.213 -5.069 749 HB3 GLU 94 1HB GLU 94 -15.014 -13.021 -4.461 750 HG2 GLU 94 2HG GLU 94 -15.694 -13.356 -6.848 751 HG3 GLU 94 1HG GLU 94 -14.091 -12.787 -7.294 752 H ILE 95 H ILE 95 -13.609 -9.551 -4.641 753 HA ILE 95 HA ILE 95 -14.337 -9.335 -1.903 754 HB ILE 95 HB ILE 95 -12.490 -7.480 -3.502 755 HG12 ILE 95 2HG1 ILE 95 -11.805 -9.837 -1.732 756 HG13 ILE 95 1HG1 ILE 95 -11.860 -9.909 -3.486 757 HG21 ILE 95 1HG2 ILE 95 -12.725 -7.881 -0.537 758 HG22 ILE 95 2HG2 ILE 95 -13.314 -6.483 -1.426 759 HG23 ILE 95 3HG2 ILE 95 -11.582 -6.825 -1.369 760 HD11 ILE 95 3HD1 ILE 95 -9.591 -9.688 -2.676 761 HD12 ILE 95 1HD1 ILE 95 -10.014 -8.192 -1.848 762 HD13 ILE 95 2HD1 ILE 95 -10.060 -8.268 -3.609 763 H LEU 96 H LEU 96 -14.932 -7.474 -4.782 764 HA LEU 96 HA LEU 96 -16.172 -5.257 -3.623 765 HB2 LEU 96 2HB LEU 96 -15.362 -5.366 -5.959 766 HB3 LEU 96 1HB LEU 96 -16.674 -6.460 -6.340 767 HG LEU 96 HG LEU 96 -18.289 -4.653 -5.786 768 HD11 LEU 96 1HD1 LEU 96 -17.474 -2.348 -5.616 769 HD12 LEU 96 2HD1 LEU 96 -15.813 -2.938 -5.590 770 HD13 LEU 96 3HD1 LEU 96 -16.908 -3.334 -4.271 771 HD21 LEU 96 3HD2 LEU 96 -17.893 -3.361 -7.825 772 HD22 LEU 96 1HD2 LEU 96 -17.624 -5.080 -8.095 773 HD23 LEU 96 2HD2 LEU 96 -16.249 -3.993 -7.912 774 H LYS 97 H LYS 97 -17.555 -8.341 -4.787 775 HA LYS 97 HA LYS 97 -20.208 -7.530 -4.194 776 HB2 LYS 97 2HB LYS 97 -20.915 -9.861 -4.514 777 HB3 LYS 97 1HB LYS 97 -19.841 -9.333 -5.797 778 HG2 LYS 97 2HG LYS 97 -18.030 -10.561 -4.884 779 HG3 LYS 97 1HG LYS 97 -18.940 -10.951 -3.436 780 HD2 LYS 97 2HD LYS 97 -18.884 -12.875 -4.931 781 HD3 LYS 97 1HD LYS 97 -20.528 -12.259 -4.800 782 HE2 LYS 97 2HE LYS 97 -20.240 -11.089 -6.943 783 HE3 LYS 97 1HE LYS 97 -18.603 -11.732 -7.062 784 HZ1 LYS 97 3HZ LYS 97 -21.091 -13.348 -6.979 785 HZ2 LYS 97 1HZ LYS 97 -19.525 -13.966 -7.125 786 HZ3 LYS 97 2HZ LYS 97 -20.194 -13.012 -8.348 787 H LYS 98 H LYS 98 -17.765 -9.137 -2.234 788 HA LYS 98 HA LYS 98 -19.634 -9.851 -0.226 789 HB2 LYS 98 2HB LYS 98 -17.739 -10.392 1.234 790 HB3 LYS 98 1HB LYS 98 -17.490 -11.059 -0.368 791 HG2 LYS 98 2HG LYS 98 -16.013 -9.079 -0.841 792 HG3 LYS 98 1HG LYS 98 -16.147 -8.670 0.862 793 HD2 LYS 98 2HD LYS 98 -15.085 -11.302 -0.186 794 HD3 LYS 98 1HD LYS 98 -14.076 -9.953 0.328 795 HE2 LYS 98 2HE LYS 98 -14.970 -10.136 2.588 796 HE3 LYS 98 1HE LYS 98 -16.043 -11.437 2.075 797 HZ1 LYS 98 3HZ LYS 98 -14.073 -12.274 3.197 798 HZ2 LYS 98 1HZ LYS 98 -13.052 -11.582 2.058 799 HZ3 LYS 98 2HZ LYS 98 -14.086 -12.798 1.585 800 H VAL 99 H VAL 99 -17.655 -6.995 -0.749 801 HA VAL 99 HA VAL 99 -18.602 -5.833 1.720 802 HB VAL 99 HB VAL 99 -17.420 -3.797 1.134 803 HG11 VAL 99 1HG1 VAL 99 -16.082 -5.522 2.136 804 HG12 VAL 99 2HG1 VAL 99 -15.121 -4.649 0.943 805 HG13 VAL 99 3HG1 VAL 99 -15.773 -6.241 0.555 806 HG21 VAL 99 3HG2 VAL 99 -16.817 -5.091 -1.523 807 HG22 VAL 99 1HG2 VAL 99 -16.154 -3.561 -0.950 808 HG23 VAL 99 2HG2 VAL 99 -17.885 -3.713 -1.257 809 H SER 100 H SER 100 -19.679 -5.987 -1.516 810 HA SER 100 HA SER 100 -21.309 -3.766 -1.681 811 HB2 SER 100 2HB SER 100 -20.816 -5.307 -3.576 812 HB3 SER 100 1HB SER 100 -21.820 -6.535 -2.822 813 HG SER 100 HG SER 100 -23.396 -4.454 -3.016 814 H GLN 101 H GLN 101 -21.831 -6.893 -0.143 815 HA GLN 101 HA GLN 101 -24.504 -6.036 0.711 816 HB2 GLN 101 2HB GLN 101 -23.181 -8.755 0.820 817 HB3 GLN 101 1HB GLN 101 -24.791 -8.407 1.431 818 HG2 GLN 101 2HG GLN 101 -23.936 -8.080 -1.441 819 HG3 GLN 101 1HG GLN 101 -24.797 -9.477 -0.792 820 HE21 GLN 101 1HE2 GLN 101 -26.961 -9.302 -0.335 821 HE22 GLN 101 2HE2 GLN 101 -27.919 -7.964 -0.821 822 H GLN 102 H GLN 102 -21.463 -7.293 1.946 823 HA GLN 102 HA GLN 102 -22.146 -6.263 4.597 824 HB2 GLN 102 2HB GLN 102 -20.886 -8.920 3.880 825 HB3 GLN 102 1HB GLN 102 -21.033 -8.304 5.522 826 HG2 GLN 102 2HG GLN 102 -23.403 -8.470 5.456 827 HG3 GLN 102 1HG GLN 102 -23.383 -8.818 3.728 828 HE21 GLN 102 1HE2 GLN 102 -21.166 -10.630 3.843 829 HE22 GLN 102 2HE2 GLN 102 -21.731 -12.064 4.612 830 H THR 103 H THR 103 -19.338 -7.913 4.733 831 HA THR 103 HA THR 103 -17.487 -6.218 3.438 832 HB THR 103 HB THR 103 -17.423 -6.149 6.494 833 HG1 THR 103 1HG THR 103 -18.828 -4.599 4.739 834 HG21 THR 103 3HG2 THR 103 -15.735 -4.391 6.152 835 HG22 THR 103 1HG2 THR 103 -15.913 -4.561 4.405 836 HG23 THR 103 2HG2 THR 103 -15.256 -5.890 5.358 837 H GLU 104 H GLU 104 -17.447 -7.952 6.520 838 HA GLU 104 HA GLU 104 -16.730 -10.436 5.508 839 HB2 GLU 104 2HB GLU 104 -14.513 -9.367 5.181 840 HB3 GLU 104 1HB GLU 104 -14.522 -8.836 6.856 841 HG2 GLU 104 2HG GLU 104 -13.089 -10.805 6.506 842 HG3 GLU 104 1HG GLU 104 -14.404 -11.123 7.633 843 H LYS 105 H LYS 105 -17.115 -11.883 6.990 844 HA LYS 105 HA LYS 105 -17.064 -12.030 9.629 845 HB2 LYS 105 2HB LYS 105 -19.404 -11.505 10.439 846 HB3 LYS 105 1HB LYS 105 -18.457 -10.082 10.063 847 HG2 LYS 105 2HG LYS 105 -19.676 -9.873 7.917 848 HG3 LYS 105 1HG LYS 105 -20.632 -11.288 8.346 849 HD2 LYS 105 2HD LYS 105 -20.534 -8.708 9.915 850 HD3 LYS 105 1HD LYS 105 -21.804 -9.179 8.786 851 HE2 LYS 105 2HE LYS 105 -22.278 -11.152 10.178 852 HE3 LYS 105 1HE LYS 105 -21.041 -10.621 11.318 853 HZ1 LYS 105 3HZ LYS 105 -23.482 -9.098 10.618 854 HZ2 LYS 105 1HZ LYS 105 -22.322 -8.626 11.738 855 HZ3 LYS 105 2HZ LYS 105 -23.275 -9.993 12.019 856 H THR 106 H THR 106 -19.592 -12.292 7.207 857 HA THR 106 HA THR 106 -19.484 -15.185 7.347 858 HB THR 106 HB THR 106 -22.038 -15.044 6.931 859 HG1 THR 106 1HG THR 106 -22.647 -13.038 6.689 860 HG21 THR 106 3HG2 THR 106 -22.583 -14.896 9.335 861 HG22 THR 106 1HG2 THR 106 -20.998 -14.194 9.649 862 HG23 THR 106 2HG2 THR 106 -21.129 -15.858 9.078 863 H THR 107 H THR 107 -18.196 -15.011 5.408 864 HA THR 107 HA THR 107 -19.354 -13.458 3.332 865 HB THR 107 HB THR 107 -16.751 -14.994 3.326 866 HG1 THR 107 1HG THR 107 -16.440 -13.154 4.560 867 HG21 THR 107 3HG2 THR 107 -16.257 -13.768 1.242 868 HG22 THR 107 1HG2 THR 107 -17.874 -13.062 1.270 869 HG23 THR 107 2HG2 THR 107 -17.674 -14.797 1.029 870 H THR 108 H THR 108 -21.165 -14.387 3.008 871 HA THR 108 HA THR 108 -21.133 -16.268 0.841 872 HB THR 108 HB THR 108 -23.096 -16.486 3.172 873 HG1 THR 108 1HG THR 108 -20.623 -17.575 2.744 874 HG21 THR 108 3HG2 THR 108 -23.988 -17.191 0.976 875 HG22 THR 108 1HG2 THR 108 -23.796 -18.572 2.053 876 HG23 THR 108 2HG2 THR 108 -22.620 -18.281 0.774 877 H VAL 109 H VAL 109 -21.883 -14.909 -0.651 878 HA VAL 109 HA VAL 109 -23.231 -12.496 0.149 879 HB VAL 109 HB VAL 109 -22.401 -13.367 -2.626 880 HG11 VAL 109 1HG1 VAL 109 -23.031 -10.643 -1.506 881 HG12 VAL 109 2HG1 VAL 109 -24.057 -11.578 -2.592 882 HG13 VAL 109 3HG1 VAL 109 -22.494 -10.986 -3.149 883 HG21 VAL 109 3HG2 VAL 109 -20.416 -11.975 -2.284 884 HG22 VAL 109 1HG2 VAL 109 -20.480 -13.329 -1.150 885 HG23 VAL 109 2HG2 VAL 109 -20.912 -11.705 -0.608 886 H LYS 110 H LYS 110 -25.294 -12.437 0.326 887 HA LYS 110 HA LYS 110 -26.925 -14.187 -1.356 888 HB2 LYS 110 2HB LYS 110 -27.036 -14.541 1.100 889 HB3 LYS 110 1HB LYS 110 -27.606 -12.895 1.286 890 HG2 LYS 110 2HG LYS 110 -29.558 -13.555 -0.191 891 HG3 LYS 110 1HG LYS 110 -29.017 -15.225 0.026 892 HD2 LYS 110 2HD LYS 110 -29.104 -14.845 2.493 893 HD3 LYS 110 1HD LYS 110 -29.832 -13.275 2.167 894 HE2 LYS 110 2HE LYS 110 -31.662 -14.458 0.959 895 HE3 LYS 110 1HE LYS 110 -30.955 -15.983 1.488 896 HZ1 LYS 110 3HZ LYS 110 -32.624 -15.453 3.071 897 HZ2 LYS 110 1HZ LYS 110 -32.117 -13.853 3.182 898 HZ3 LYS 110 2HZ LYS 110 -31.167 -15.070 3.805 899 H PHE 111 H PHE 111 -27.473 -12.897 -3.091 900 HA PHE 111 HA PHE 111 -28.349 -10.170 -2.630 901 HB2 PHE 111 2HB PHE 111 -28.124 -11.776 -5.192 902 HB3 PHE 111 1HB PHE 111 -28.718 -10.128 -5.123 903 HD1 PHE 111 2HD PHE 111 -27.098 -8.400 -4.045 904 HD2 PHE 111 1HD PHE 111 -25.893 -12.167 -5.611 905 HE1 PHE 111 2HE PHE 111 -24.804 -7.553 -4.302 906 HE2 PHE 111 1HE PHE 111 -23.599 -11.327 -5.872 907 HZ PHE 111 HZ PHE 111 -23.056 -9.011 -5.221 908 H ASN 112 H ASN 112 -30.111 -10.598 -1.367 909 HA ASN 112 HA ASN 112 -32.527 -11.208 -2.802 910 HB2 ASN 112 2HB ASN 112 -31.713 -13.449 -1.987 911 HB3 ASN 112 1HB ASN 112 -31.746 -12.817 -0.351 912 HD21 ASN 112 1HD2 ASN 112 -33.139 -15.066 -1.417 913 HD22 ASN 112 2HD2 ASN 112 -34.830 -14.772 -1.169 Start of MODEL 13 1 H1 GLY 0 1HT GLY 0 38.095 33.100 5.099 2 H2 GLY 0 2HT GLY 0 36.636 32.268 5.373 3 H3 GLY 0 3HT GLY 0 37.769 31.657 4.300 4 HA2 GLY 0 1HA GLY 0 39.346 31.268 6.041 5 HA3 GLY 0 2HA GLY 0 38.213 31.942 7.206 6 H SER 1 H SER 1 36.368 30.771 7.727 7 HA SER 1 HA SER 1 36.593 27.937 7.290 8 HB2 SER 1 2HB SER 1 34.523 29.530 8.823 9 HB3 SER 1 1HB SER 1 34.876 27.813 9.008 10 HG SER 1 HG SER 1 37.108 28.664 9.446 11 H ALA 2 H ALA 2 36.093 27.650 5.125 12 HA ALA 2 HA ALA 2 34.334 29.111 3.612 13 HB1 ALA 2 1HB ALA 2 35.064 26.232 3.131 14 HB2 ALA 2 2HB ALA 2 36.059 27.621 2.689 15 HB3 ALA 2 3HB ALA 2 34.484 27.388 1.934 16 H ASP 3 H ASP 3 33.678 25.996 5.142 17 HA ASP 3 HA ASP 3 31.072 25.755 4.163 18 HB2 ASP 3 2HB ASP 3 32.320 24.510 6.607 19 HB3 ASP 3 1HB ASP 3 30.776 24.055 5.909 20 H GLU 4 H GLU 4 32.333 27.146 7.107 21 HA GLU 4 HA GLU 4 29.850 27.531 8.380 22 HB2 GLU 4 2HB GLU 4 31.983 27.539 9.582 23 HB3 GLU 4 1HB GLU 4 32.445 29.009 8.743 24 HG2 GLU 4 2HG GLU 4 30.717 30.245 9.825 25 HG3 GLU 4 1HG GLU 4 30.071 28.786 10.565 26 H GLU 5 H GLU 5 31.877 29.711 6.440 27 HA GLU 5 HA GLU 5 30.144 31.918 6.631 28 HB2 GLU 5 2HB GLU 5 32.217 31.271 4.527 29 HB3 GLU 5 1HB GLU 5 31.446 32.839 4.728 30 HG2 GLU 5 2HG GLU 5 32.388 32.987 6.996 31 HG3 GLU 5 1HG GLU 5 33.183 31.438 6.739 32 H LEU 6 H LEU 6 30.367 29.230 4.414 33 HA LEU 6 HA LEU 6 28.471 30.171 2.552 34 HB2 LEU 6 2HB LEU 6 30.170 28.349 2.146 35 HB3 LEU 6 1HB LEU 6 29.244 27.308 3.189 36 HG LEU 6 HG LEU 6 29.003 26.838 0.743 37 HD11 LEU 6 1HD1 LEU 6 26.439 27.575 2.128 38 HD12 LEU 6 2HD1 LEU 6 27.286 26.032 2.232 39 HD13 LEU 6 3HD1 LEU 6 26.584 26.551 0.701 40 HD21 LEU 6 3HD2 LEU 6 27.543 29.474 0.692 41 HD22 LEU 6 1HD2 LEU 6 27.595 28.299 -0.622 42 HD23 LEU 6 2HD2 LEU 6 29.074 29.105 -0.101 43 H GLU 7 H GLU 7 28.276 28.103 5.435 44 HA GLU 7 HA GLU 7 25.560 27.475 5.237 45 HB2 GLU 7 2HB GLU 7 27.209 26.353 6.790 46 HB3 GLU 7 1HB GLU 7 27.109 27.787 7.808 47 HG2 GLU 7 2HG GLU 7 24.707 27.399 8.106 48 HG3 GLU 7 1HG GLU 7 24.837 25.935 7.139 49 H ALA 8 H ALA 8 27.219 30.165 6.768 50 HA ALA 8 HA ALA 8 25.033 31.404 8.006 51 HB1 ALA 8 1HB ALA 8 27.362 32.102 8.394 52 HB2 ALA 8 2HB ALA 8 26.345 33.470 7.944 53 HB3 ALA 8 3HB ALA 8 27.433 32.749 6.756 54 H LEU 9 H LEU 9 26.323 31.831 4.750 55 HA LEU 9 HA LEU 9 24.448 33.735 3.869 56 HB2 LEU 9 2HB LEU 9 26.693 33.216 2.828 57 HB3 LEU 9 1HB LEU 9 26.026 31.721 2.232 58 HG LEU 9 HG LEU 9 25.024 34.455 1.371 59 HD11 LEU 9 1HD1 LEU 9 27.026 32.646 0.030 60 HD12 LEU 9 2HD1 LEU 9 27.371 34.203 0.783 61 HD13 LEU 9 3HD1 LEU 9 26.349 34.124 -0.650 62 HD21 LEU 9 3HD2 LEU 9 23.441 32.604 0.962 63 HD22 LEU 9 1HD2 LEU 9 24.706 31.722 0.105 64 HD23 LEU 9 2HD2 LEU 9 24.091 33.237 -0.551 65 H ARG 10 H ARG 10 24.643 30.226 3.622 66 HA ARG 10 HA ARG 10 22.355 29.779 2.094 67 HB2 ARG 10 2HB ARG 10 24.142 28.106 2.560 68 HB3 ARG 10 1HB ARG 10 23.523 27.942 4.194 69 HG2 ARG 10 2HG ARG 10 21.435 27.057 3.352 70 HG3 ARG 10 1HG ARG 10 21.972 27.314 1.691 71 HD2 ARG 10 2HD ARG 10 23.863 25.762 2.109 72 HD3 ARG 10 1HD ARG 10 23.208 25.448 3.716 73 HE ARG 10 HE ARG 10 21.132 24.903 2.069 74 HH11 ARG 10 1HH1 ARG 10 24.437 23.690 2.293 75 HH12 ARG 10 2HH1 ARG 10 24.127 22.208 1.543 76 HH21 ARG 10 1HH2 ARG 10 20.663 22.906 1.009 77 HH22 ARG 10 2HH2 ARG 10 21.902 21.759 0.743 78 H ARG 11 H ARG 11 22.728 29.807 5.624 79 HA ARG 11 HA ARG 11 20.075 29.251 6.377 80 HB2 ARG 11 2HB ARG 11 22.091 31.048 7.716 81 HB3 ARG 11 1HB ARG 11 20.583 30.556 8.461 82 HG2 ARG 11 2HG ARG 11 21.356 28.252 8.503 83 HG3 ARG 11 1HG ARG 11 22.836 28.723 7.656 84 HD2 ARG 11 2HD ARG 11 23.459 30.180 9.493 85 HD3 ARG 11 1HD ARG 11 21.967 29.782 10.349 86 HE ARG 11 HE ARG 11 24.180 27.903 9.805 87 HH11 ARG 11 1HH1 ARG 11 21.569 29.045 11.937 88 HH12 ARG 11 2HH1 ARG 11 21.839 27.833 13.095 89 HH21 ARG 11 1HH2 ARG 11 24.580 26.375 11.399 90 HH22 ARG 11 2HH2 ARG 11 23.579 26.251 12.794 91 H GLN 12 H GLN 12 21.612 32.297 5.539 92 HA GLN 12 HA GLN 12 19.391 33.909 6.211 93 HB2 GLN 12 2HB GLN 12 21.764 34.661 6.217 94 HB3 GLN 12 1HB GLN 12 21.777 34.532 4.469 95 HG2 GLN 12 2HG GLN 12 20.195 36.314 4.267 96 HG3 GLN 12 1HG GLN 12 19.960 36.356 6.019 97 HE21 GLN 12 1HE2 GLN 12 22.089 37.149 3.406 98 HE22 GLN 12 2HE2 GLN 12 23.148 38.155 4.316 99 H ARG 13 H ARG 13 20.639 32.473 3.259 100 HA ARG 13 HA ARG 13 18.772 33.680 1.521 101 HB2 ARG 13 2HB ARG 13 20.984 32.580 0.897 102 HB3 ARG 13 1HB ARG 13 20.173 31.040 1.094 103 HG2 ARG 13 2HG ARG 13 20.034 31.380 -1.184 104 HG3 ARG 13 1HG ARG 13 18.481 31.989 -0.626 105 HD2 ARG 13 2HD ARG 13 20.926 33.638 -1.291 106 HD3 ARG 13 1HD ARG 13 19.495 33.475 -2.295 107 HE ARG 13 HE ARG 13 19.373 34.718 0.381 108 HH11 ARG 13 1HH1 ARG 13 18.837 34.962 -3.125 109 HH12 ARG 13 2HH1 ARG 13 18.054 36.450 -3.041 110 HH21 ARG 13 1HH2 ARG 13 18.253 36.839 0.476 111 HH22 ARG 13 2HH2 ARG 13 17.734 37.518 -0.978 112 H LEU 14 H LEU 14 18.778 30.636 3.407 113 HA LEU 14 HA LEU 14 16.508 29.471 2.389 114 HB2 LEU 14 2HB LEU 14 17.916 29.487 4.908 115 HB3 LEU 14 1HB LEU 14 16.448 28.539 4.778 116 HG LEU 14 HG LEU 14 19.007 28.181 3.186 117 HD11 LEU 14 1HD1 LEU 14 19.196 27.532 5.508 118 HD12 LEU 14 2HD1 LEU 14 19.229 26.110 4.455 119 HD13 LEU 14 3HD1 LEU 14 17.764 26.517 5.363 120 HD21 LEU 14 3HD2 LEU 14 17.954 26.137 2.341 121 HD22 LEU 14 1HD2 LEU 14 17.027 27.562 1.870 122 HD23 LEU 14 2HD2 LEU 14 16.466 26.546 3.196 123 H ALA 15 H ALA 15 16.989 31.997 4.687 124 HA ALA 15 HA ALA 15 14.477 31.991 5.954 125 HB1 ALA 15 1HB ALA 15 16.346 34.317 5.494 126 HB2 ALA 15 2HB ALA 15 16.407 33.204 6.859 127 HB3 ALA 15 3HB ALA 15 15.024 34.282 6.658 128 H GLU 16 H GLU 16 15.545 33.176 2.905 129 HA GLU 16 HA GLU 16 13.313 34.869 2.431 130 HB2 GLU 16 2HB GLU 16 15.366 33.786 0.512 131 HB3 GLU 16 1HB GLU 16 14.272 35.131 0.216 132 HG2 GLU 16 2HG GLU 16 16.432 35.020 2.288 133 HG3 GLU 16 1HG GLU 16 16.517 35.919 0.783 134 H LEU 17 H LEU 17 14.121 31.542 1.977 135 HA LEU 17 HA LEU 17 12.082 31.113 0.019 136 HB2 LEU 17 2HB LEU 17 14.237 29.818 0.088 137 HB3 LEU 17 1HB LEU 17 13.727 29.101 1.591 138 HG LEU 17 HG LEU 17 13.574 27.609 -0.414 139 HD11 LEU 17 1HD1 LEU 17 11.383 26.660 0.055 140 HD12 LEU 17 2HD1 LEU 17 10.952 28.106 0.969 141 HD13 LEU 17 3HD1 LEU 17 12.259 27.062 1.531 142 HD21 LEU 17 3HD2 LEU 17 11.329 29.442 -1.222 143 HD22 LEU 17 1HD2 LEU 17 11.741 27.912 -1.995 144 HD23 LEU 17 2HD2 LEU 17 12.877 29.264 -2.048 145 H GLN 18 H GLN 18 12.715 29.930 3.273 146 HA GLN 18 HA GLN 18 10.160 30.463 4.445 147 HB2 GLN 18 2HB GLN 18 10.528 27.644 3.451 148 HB3 GLN 18 1HB GLN 18 9.560 27.988 4.860 149 HG2 GLN 18 2HG GLN 18 8.109 29.411 3.424 150 HG3 GLN 18 1HG GLN 18 9.057 28.875 2.034 151 HE21 GLN 18 1HE2 GLN 18 6.262 28.446 2.638 152 HE22 GLN 18 2HE2 GLN 18 6.030 26.730 2.682 153 H ALA 19 H ALA 19 13.402 29.651 4.831 154 HA ALA 19 HA ALA 19 14.710 28.895 6.394 155 HB1 ALA 19 1HB ALA 19 12.313 29.258 8.237 156 HB2 ALA 19 2HB ALA 19 13.544 30.475 7.919 157 HB3 ALA 19 3HB ALA 19 13.968 28.991 8.778 158 H LYS 20 H LYS 20 14.348 27.092 8.471 159 HA LYS 20 HA LYS 20 13.547 24.782 6.895 160 HB2 LYS 20 2HB LYS 20 14.763 23.397 8.540 161 HB3 LYS 20 1HB LYS 20 15.792 24.611 7.808 162 HG2 LYS 20 2HG LYS 20 15.620 25.976 9.827 163 HG3 LYS 20 1HG LYS 20 14.565 24.762 10.556 164 HD2 LYS 20 2HD LYS 20 16.386 23.097 10.331 165 HD3 LYS 20 1HD LYS 20 17.433 24.366 9.695 166 HE2 LYS 20 2HE LYS 20 17.184 25.604 11.805 167 HE3 LYS 20 1HE LYS 20 16.157 24.313 12.426 168 HZ1 LYS 20 3HZ LYS 20 18.054 22.790 12.168 169 HZ2 LYS 20 1HZ LYS 20 18.381 24.044 13.245 170 HZ3 LYS 20 2HZ LYS 20 19.025 24.080 11.694 171 H HIS 21 H HIS 21 11.916 23.483 7.398 172 HA HIS 21 HA HIS 21 10.285 24.332 9.650 173 HB2 HIS 21 2HB HIS 21 9.537 23.005 7.068 174 HB3 HIS 21 1HB HIS 21 8.500 22.854 8.474 175 HD1 HIS 21 1HD HIS 21 8.701 24.749 5.553 176 HD2 HIS 21 2HD HIS 21 8.010 25.727 9.526 177 HE1 HIS 21 1HE HIS 21 7.438 26.922 5.505 178 HE2 HIS 21 2HE HIS 21 6.698 27.201 7.879 179 H GLY 22 H GLY 22 11.593 23.238 11.115 180 HA2 GLY 22 2HA GLY 22 11.171 20.341 11.115 181 HA3 GLY 22 1HA GLY 22 12.367 21.198 12.091 182 H ASP 23 H ASP 23 9.020 21.903 11.471 183 HA ASP 23 HA ASP 23 8.475 21.881 14.336 184 HB2 ASP 23 2HB ASP 23 6.951 23.729 13.945 185 HB3 ASP 23 1HB ASP 23 8.515 24.146 13.259 186 HA PRO 24 HA PRO 24 5.155 19.119 13.106 187 HB2 PRO 24 2HB PRO 24 3.503 19.852 15.352 188 HB3 PRO 24 1HB PRO 24 4.513 18.418 15.158 189 HG2 PRO 24 2HG PRO 24 5.035 20.402 16.976 190 HG3 PRO 24 1HG PRO 24 6.278 19.358 16.275 191 HD2 PRO 24 2HD PRO 24 5.495 22.144 15.504 192 HD3 PRO 24 1HD PRO 24 7.116 21.430 15.677 193 H GLY 25 H GLY 25 4.792 22.412 12.934 194 HA2 GLY 25 2HA GLY 25 1.947 22.624 12.719 195 HA3 GLY 25 1HA GLY 25 3.138 23.845 12.267 196 H ASP 26 H ASP 26 0.916 21.646 11.159 197 HA ASP 26 HA ASP 26 0.150 21.027 9.167 198 HB2 ASP 26 2HB ASP 26 0.501 23.259 8.336 199 HB3 ASP 26 1HB ASP 26 2.202 22.917 8.025 200 H ALA 27 H ALA 27 3.655 21.092 9.077 201 HA ALA 27 HA ALA 27 4.065 19.072 7.199 202 HB1 ALA 27 1HB ALA 27 5.823 19.782 9.543 203 HB2 ALA 27 2HB ALA 27 5.838 20.563 7.960 204 HB3 ALA 27 3HB ALA 27 6.319 18.876 8.115 205 H ALA 28 H ALA 28 3.092 18.800 10.496 206 HA ALA 28 HA ALA 28 3.856 16.128 10.953 207 HB1 ALA 28 1HB ALA 28 1.562 17.614 12.215 208 HB2 ALA 28 2HB ALA 28 3.235 17.652 12.771 209 HB3 ALA 28 3HB ALA 28 2.319 16.146 12.831 210 H GLN 29 H GLN 29 1.125 17.501 9.211 211 HA GLN 29 HA GLN 29 -0.338 15.061 9.327 212 HB2 GLN 29 2HB GLN 29 -1.962 16.032 7.840 213 HB3 GLN 29 1HB GLN 29 -1.446 17.311 8.921 214 HG2 GLN 29 2HG GLN 29 -0.048 18.257 7.190 215 HG3 GLN 29 1HG GLN 29 -0.448 16.926 6.109 216 HE21 GLN 29 1HE2 GLN 29 -1.569 19.861 7.561 217 HE22 GLN 29 2HE2 GLN 29 -2.966 20.032 6.586 218 H GLN 30 H GLN 30 2.044 16.489 7.292 219 HA GLN 30 HA GLN 30 1.818 14.761 5.053 220 HB2 GLN 30 2HB GLN 30 3.004 17.025 5.161 221 HB3 GLN 30 1HB GLN 30 4.290 16.235 6.044 222 HG2 GLN 30 2HG GLN 30 3.532 15.237 3.324 223 HG3 GLN 30 1HG GLN 30 4.479 16.702 3.471 224 HE21 GLN 30 1HE2 GLN 30 6.219 15.797 2.421 225 HE22 GLN 30 2HE2 GLN 30 7.220 14.600 3.145 226 H GLU 31 H GLU 31 3.653 14.740 8.037 227 HA GLU 31 HA GLU 31 5.182 12.393 7.757 228 HB2 GLU 31 2HB GLU 31 3.807 13.462 10.240 229 HB3 GLU 31 1HB GLU 31 5.068 12.256 10.241 230 HG2 GLU 31 2HG GLU 31 5.448 15.073 9.257 231 HG3 GLU 31 1HG GLU 31 5.747 14.558 10.912 232 H ALA 32 H ALA 32 2.007 12.806 9.226 233 HA ALA 32 HA ALA 32 1.525 10.103 9.782 234 HB1 ALA 32 1HB ALA 32 -0.515 12.271 9.284 235 HB2 ALA 32 2HB ALA 32 0.276 11.946 10.826 236 HB3 ALA 32 3HB ALA 32 -0.801 10.743 10.118 237 H LYS 33 H LYS 33 0.599 12.075 6.997 238 HA LYS 33 HA LYS 33 -0.782 9.985 5.714 239 HB2 LYS 33 2HB LYS 33 -1.131 12.353 5.120 240 HB3 LYS 33 1HB LYS 33 0.503 12.426 4.478 241 HG2 LYS 33 2HG LYS 33 -1.008 12.185 2.642 242 HG3 LYS 33 1HG LYS 33 -0.102 10.680 2.855 243 HD2 LYS 33 2HD LYS 33 -2.005 9.696 4.065 244 HD3 LYS 33 1HD LYS 33 -2.927 11.176 3.809 245 HE2 LYS 33 2HE LYS 33 -1.889 9.338 1.643 246 HE3 LYS 33 1HE LYS 33 -3.547 9.418 2.218 247 HZ1 LYS 33 3HZ LYS 33 -3.338 10.668 0.201 248 HZ2 LYS 33 1HZ LYS 33 -2.071 11.585 0.823 249 HZ3 LYS 33 2HZ LYS 33 -3.614 11.741 1.462 250 H HIS 34 H HIS 34 2.618 10.989 5.709 251 HA HIS 34 HA HIS 34 3.337 9.400 3.497 252 HB2 HIS 34 2HB HIS 34 4.793 11.260 4.270 253 HB3 HIS 34 1HB HIS 34 5.113 10.395 5.759 254 HD1 HIS 34 1HD HIS 34 5.904 10.280 2.048 255 HD2 HIS 34 2HD HIS 34 7.038 8.407 5.579 256 HE1 HIS 34 1HE HIS 34 7.885 8.897 1.465 257 HE2 HIS 34 2HE HIS 34 8.168 7.447 3.516 258 H ARG 35 H ARG 35 3.075 8.769 6.923 259 HA ARG 35 HA ARG 35 4.354 6.245 6.796 260 HB2 ARG 35 2HB ARG 35 2.330 7.237 8.804 261 HB3 ARG 35 1HB ARG 35 3.293 5.776 8.979 262 HG2 ARG 35 2HG ARG 35 5.331 7.210 8.828 263 HG3 ARG 35 1HG ARG 35 4.268 8.614 8.903 264 HD2 ARG 35 2HD ARG 35 5.144 8.104 11.110 265 HD3 ARG 35 1HD ARG 35 3.407 7.811 11.062 266 HE ARG 35 HE ARG 35 3.805 5.504 11.024 267 HH11 ARG 35 1HH1 ARG 35 6.790 7.374 11.518 268 HH12 ARG 35 2HH1 ARG 35 7.632 6.063 12.207 269 HH21 ARG 35 1HH2 ARG 35 5.002 3.716 11.964 270 HH22 ARG 35 2HH2 ARG 35 6.608 3.956 12.476 271 H GLU 36 H GLU 36 1.021 7.265 6.378 272 HA GLU 36 HA GLU 36 -0.027 4.673 6.168 273 HB2 GLU 36 2HB GLU 36 -1.008 7.310 5.113 274 HB3 GLU 36 1HB GLU 36 -1.895 5.810 4.888 275 HG2 GLU 36 2HG GLU 36 -1.082 6.957 7.517 276 HG3 GLU 36 1HG GLU 36 -2.701 7.133 6.810 277 H ALA 37 H ALA 37 0.909 7.060 3.730 278 HA ALA 37 HA ALA 37 0.422 5.475 1.476 279 HB1 ALA 37 1HB ALA 37 2.397 7.730 1.750 280 HB2 ALA 37 2HB ALA 37 0.677 7.908 1.395 281 HB3 ALA 37 3HB ALA 37 1.738 7.092 0.245 282 H GLU 38 H GLU 38 3.272 5.701 3.517 283 HA GLU 38 HA GLU 38 5.154 4.448 1.882 284 HB2 GLU 38 2HB GLU 38 5.427 5.535 4.225 285 HB3 GLU 38 1HB GLU 38 4.993 3.950 4.842 286 HG2 GLU 38 2HG GLU 38 7.325 3.947 4.851 287 HG3 GLU 38 1HG GLU 38 6.899 3.063 3.388 288 H MET 39 H MET 39 2.911 3.108 4.237 289 HA MET 39 HA MET 39 3.676 0.391 3.582 290 HB2 MET 39 2HB MET 39 3.236 1.016 5.900 291 HB3 MET 39 1HB MET 39 1.591 1.456 5.478 292 HG2 MET 39 2HG MET 39 1.103 -0.865 4.913 293 HG3 MET 39 1HG MET 39 2.763 -1.314 5.305 294 HE1 MET 39 3HE MET 39 -0.682 -0.044 6.705 295 HE2 MET 39 1HE MET 39 0.395 1.250 7.229 296 HE3 MET 39 2HE MET 39 -0.333 0.171 8.418 297 H ARG 40 H ARG 40 0.733 2.365 3.326 298 HA ARG 40 HA ARG 40 -0.968 0.324 2.429 299 HB2 ARG 40 2HB ARG 40 -1.691 2.479 3.448 300 HB3 ARG 40 1HB ARG 40 -1.252 3.292 1.961 301 HG2 ARG 40 2HG ARG 40 -2.926 1.952 0.751 302 HG3 ARG 40 1HG ARG 40 -3.377 1.186 2.272 303 HD2 ARG 40 2HD ARG 40 -3.608 4.123 1.609 304 HD3 ARG 40 1HD ARG 40 -4.936 2.976 1.716 305 HE ARG 40 HE ARG 40 -3.314 3.322 4.110 306 HH11 ARG 40 1HH1 ARG 40 -6.359 4.090 2.444 307 HH12 ARG 40 2HH1 ARG 40 -7.106 4.757 3.814 308 HH21 ARG 40 1HH2 ARG 40 -4.316 4.361 5.989 309 HH22 ARG 40 2HH2 ARG 40 -5.903 4.959 5.851 310 H ASN 41 H ASN 41 0.694 2.884 0.591 311 HA ASN 41 HA ASN 41 -0.398 2.133 -1.885 312 HB2 ASN 41 2HB ASN 41 2.112 3.696 -1.272 313 HB3 ASN 41 1HB ASN 41 1.492 3.464 -2.896 314 HD21 ASN 41 1HD2 ASN 41 1.174 5.628 -3.254 315 HD22 ASN 41 2HD2 ASN 41 -0.058 6.539 -2.457 316 H SER 42 H SER 42 2.485 1.092 -0.177 317 HA SER 42 HA SER 42 3.617 -0.229 -2.387 318 HB2 SER 42 2HB SER 42 4.095 -0.592 0.568 319 HB3 SER 42 1HB SER 42 5.148 -1.151 -0.736 320 HG SER 42 HG SER 42 5.135 1.201 0.437 321 H ILE 43 H ILE 43 1.746 -1.398 0.459 322 HA ILE 43 HA ILE 43 1.876 -4.067 -0.378 323 HB ILE 43 HB ILE 43 0.022 -4.556 1.199 324 HG12 ILE 43 2HG1 ILE 43 0.038 -1.563 1.691 325 HG13 ILE 43 1HG1 ILE 43 -1.275 -2.481 0.966 326 HG21 ILE 43 1HG2 ILE 43 2.251 -2.851 2.299 327 HG22 ILE 43 2HG2 ILE 43 2.293 -4.588 1.994 328 HG23 ILE 43 3HG2 ILE 43 1.239 -3.938 3.249 329 HD11 ILE 43 3HD1 ILE 43 -0.280 -2.719 3.798 330 HD12 ILE 43 1HD1 ILE 43 -1.576 -3.682 3.087 331 HD13 ILE 43 2HD1 ILE 43 -1.767 -1.935 3.263 332 H LEU 44 H LEU 44 -0.502 -1.569 -1.099 333 HA LEU 44 HA LEU 44 -2.354 -3.269 -2.379 334 HB2 LEU 44 2HB LEU 44 -1.768 -0.352 -2.914 335 HB3 LEU 44 1HB LEU 44 -3.145 -1.224 -3.551 336 HG LEU 44 HG LEU 44 -2.617 -0.634 -0.637 337 HD11 LEU 44 1HD1 LEU 44 -4.644 0.497 -2.552 338 HD12 LEU 44 2HD1 LEU 44 -3.251 1.342 -1.874 339 HD13 LEU 44 3HD1 LEU 44 -4.568 0.827 -0.821 340 HD21 LEU 44 3HD2 LEU 44 -3.795 -2.755 -0.877 341 HD22 LEU 44 1HD2 LEU 44 -4.964 -1.999 -1.962 342 HD23 LEU 44 2HD2 LEU 44 -4.887 -1.514 -0.270 343 H ALA 45 H ALA 45 0.522 -1.619 -3.550 344 HA ALA 45 HA ALA 45 0.153 -2.316 -6.276 345 HB1 ALA 45 1HB ALA 45 1.552 -0.426 -5.574 346 HB2 ALA 45 2HB ALA 45 2.447 -1.557 -6.590 347 HB3 ALA 45 3HB ALA 45 2.700 -1.550 -4.847 348 H GLN 46 H GLN 46 1.244 -4.101 -3.573 349 HA GLN 46 HA GLN 46 2.658 -6.034 -5.275 350 HB2 GLN 46 2HB GLN 46 2.324 -6.156 -2.289 351 HB3 GLN 46 1HB GLN 46 3.427 -7.090 -3.274 352 HG2 GLN 46 2HG GLN 46 3.590 -4.125 -2.736 353 HG3 GLN 46 1HG GLN 46 4.552 -5.358 -1.957 354 HE21 GLN 46 1HE2 GLN 46 3.883 -5.052 -5.501 355 HE22 GLN 46 2HE2 GLN 46 5.540 -4.791 -5.881 356 H VAL 47 H VAL 47 -0.282 -5.804 -3.357 357 HA VAL 47 HA VAL 47 -0.803 -8.585 -4.083 358 HB VAL 47 HB VAL 47 -2.716 -8.549 -2.555 359 HG11 VAL 47 1HG1 VAL 47 -0.159 -7.554 -1.309 360 HG12 VAL 47 2HG1 VAL 47 -0.543 -9.225 -1.727 361 HG13 VAL 47 3HG1 VAL 47 -1.454 -8.403 -0.463 362 HG21 VAL 47 3HG2 VAL 47 -3.323 -6.177 -2.753 363 HG22 VAL 47 1HG2 VAL 47 -1.850 -5.727 -1.900 364 HG23 VAL 47 2HG2 VAL 47 -3.108 -6.636 -1.063 365 H LEU 48 H LEU 48 -1.539 -5.598 -5.311 366 HA LEU 48 HA LEU 48 -3.769 -6.851 -6.720 367 HB2 LEU 48 2HB LEU 48 -3.191 -3.942 -6.269 368 HB3 LEU 48 1HB LEU 48 -4.357 -4.526 -7.438 369 HG LEU 48 HG LEU 48 -4.508 -5.010 -4.456 370 HD11 LEU 48 1HD1 LEU 48 -6.041 -3.084 -6.210 371 HD12 LEU 48 2HD1 LEU 48 -4.818 -2.644 -5.021 372 HD13 LEU 48 3HD1 LEU 48 -6.332 -3.381 -4.495 373 HD21 LEU 48 3HD2 LEU 48 -6.825 -5.722 -5.014 374 HD22 LEU 48 1HD2 LEU 48 -5.583 -6.759 -5.727 375 HD23 LEU 48 2HD2 LEU 48 -6.401 -5.563 -6.721 376 H ASP 49 H ASP 49 -3.594 -7.275 -8.700 377 HA ASP 49 HA ASP 49 -1.220 -6.738 -10.202 378 HB2 ASP 49 2HB ASP 49 -2.621 -8.806 -10.507 379 HB3 ASP 49 1HB ASP 49 -3.922 -7.789 -11.102 380 H GLN 50 H GLN 50 -1.230 -5.493 -12.128 381 HA GLN 50 HA GLN 50 -2.174 -2.900 -11.865 382 HB2 GLN 50 2HB GLN 50 -0.288 -3.500 -13.272 383 HB3 GLN 50 1HB GLN 50 -1.350 -4.356 -14.377 384 HG2 GLN 50 2HG GLN 50 -2.421 -2.260 -14.981 385 HG3 GLN 50 1HG GLN 50 -1.393 -1.394 -13.838 386 HE21 GLN 50 1HE2 GLN 50 -1.678 -1.153 -16.750 387 HE22 GLN 50 2HE2 GLN 50 -0.092 -1.395 -17.388 388 H SER 51 H SER 51 -3.723 -5.668 -13.353 389 HA SER 51 HA SER 51 -5.680 -4.297 -14.837 390 HB2 SER 51 2HB SER 51 -6.871 -6.498 -14.682 391 HB3 SER 51 1HB SER 51 -5.222 -6.599 -15.303 392 HG SER 51 HG SER 51 -4.553 -7.512 -13.485 393 H ALA 52 H ALA 52 -5.632 -5.668 -11.609 394 HA ALA 52 HA ALA 52 -8.268 -5.020 -10.885 395 HB1 ALA 52 1HB ALA 52 -7.572 -5.523 -8.615 396 HB2 ALA 52 2HB ALA 52 -5.876 -5.465 -9.118 397 HB3 ALA 52 3HB ALA 52 -6.943 -6.715 -9.754 398 H ARG 53 H ARG 53 -5.246 -3.310 -10.634 399 HA ARG 53 HA ARG 53 -6.321 -1.208 -9.082 400 HB2 ARG 53 2HB ARG 53 -3.793 -1.416 -10.701 401 HB3 ARG 53 1HB ARG 53 -4.248 0.049 -9.828 402 HG2 ARG 53 2HG ARG 53 -3.600 -0.785 -7.878 403 HG3 ARG 53 1HG ARG 53 -4.550 -2.243 -8.158 404 HD2 ARG 53 2HD ARG 53 -2.283 -2.823 -7.832 405 HD3 ARG 53 1HD ARG 53 -2.713 -3.130 -9.503 406 HE ARG 53 HE ARG 53 -1.675 -0.600 -9.496 407 HH11 ARG 53 1HH1 ARG 53 -0.407 -3.812 -8.553 408 HH12 ARG 53 2HH1 ARG 53 1.194 -3.407 -8.943 409 HH21 ARG 53 1HH2 ARG 53 0.510 -0.119 -10.055 410 HH22 ARG 53 2HH2 ARG 53 1.732 -1.291 -9.821 411 H ALA 54 H ALA 54 -6.129 -1.785 -12.513 412 HA ALA 54 HA ALA 54 -7.103 0.762 -13.309 413 HB1 ALA 54 1HB ALA 54 -7.604 -0.328 -15.463 414 HB2 ALA 54 2HB ALA 54 -7.316 -1.907 -14.731 415 HB3 ALA 54 3HB ALA 54 -5.989 -0.760 -14.901 416 H ARG 55 H ARG 55 -8.675 -2.401 -12.698 417 HA ARG 55 HA ARG 55 -11.312 -1.752 -13.096 418 HB2 ARG 55 2HB ARG 55 -10.302 -3.989 -12.595 419 HB3 ARG 55 1HB ARG 55 -10.204 -3.508 -10.906 420 HG2 ARG 55 2HG ARG 55 -12.144 -4.735 -10.989 421 HG3 ARG 55 1HG ARG 55 -12.732 -3.079 -11.129 422 HD2 ARG 55 2HD ARG 55 -12.405 -5.115 -13.327 423 HD3 ARG 55 1HD ARG 55 -13.901 -4.395 -12.727 424 HE ARG 55 HE ARG 55 -11.832 -3.074 -14.318 425 HH11 ARG 55 1HH1 ARG 55 -15.240 -3.300 -13.335 426 HH12 ARG 55 2HH1 ARG 55 -15.766 -2.152 -14.479 427 HH21 ARG 55 1HH2 ARG 55 -12.585 -1.580 -15.897 428 HH22 ARG 55 2HH2 ARG 55 -14.240 -1.158 -15.983 429 H LEU 56 H LEU 56 -9.306 -1.432 -10.233 430 HA LEU 56 HA LEU 56 -11.124 -0.511 -8.353 431 HB2 LEU 56 2HB LEU 56 -8.841 -1.307 -7.901 432 HB3 LEU 56 1HB LEU 56 -8.190 0.123 -8.659 433 HG LEU 56 HG LEU 56 -9.201 1.491 -6.848 434 HD11 LEU 56 1HD1 LEU 56 -11.013 -0.031 -6.231 435 HD12 LEU 56 2HD1 LEU 56 -10.002 0.367 -4.847 436 HD13 LEU 56 3HD1 LEU 56 -9.828 -1.197 -5.641 437 HD21 LEU 56 3HD2 LEU 56 -7.593 0.837 -5.144 438 HD22 LEU 56 1HD2 LEU 56 -6.867 0.746 -6.750 439 HD23 LEU 56 2HD2 LEU 56 -7.380 -0.728 -5.926 440 H SER 57 H SER 57 -9.136 1.270 -10.674 441 HA SER 57 HA SER 57 -9.868 3.843 -9.794 442 HB2 SER 57 2HB SER 57 -7.848 3.346 -11.182 443 HB3 SER 57 1HB SER 57 -8.901 3.010 -12.551 444 HG SER 57 HG SER 57 -8.928 5.453 -11.141 445 H ASN 58 H ASN 58 -11.162 1.697 -12.276 446 HA ASN 58 HA ASN 58 -13.138 3.480 -13.281 447 HB2 ASN 58 2HB ASN 58 -12.891 0.470 -13.377 448 HB3 ASN 58 1HB ASN 58 -14.290 1.295 -14.032 449 HD21 ASN 58 1HD2 ASN 58 -10.857 0.708 -14.420 450 HD22 ASN 58 2HD2 ASN 58 -10.748 1.277 -16.032 451 H LEU 59 H LEU 59 -13.013 1.381 -10.569 452 HA LEU 59 HA LEU 59 -15.788 1.217 -9.971 453 HB2 LEU 59 2HB LEU 59 -13.700 -0.187 -9.226 454 HB3 LEU 59 1HB LEU 59 -13.587 0.991 -7.962 455 HG LEU 59 HG LEU 59 -14.703 -1.103 -7.234 456 HD11 LEU 59 1HD1 LEU 59 -15.169 0.923 -6.002 457 HD12 LEU 59 2HD1 LEU 59 -16.603 -0.105 -6.087 458 HD13 LEU 59 3HD1 LEU 59 -16.478 1.322 -7.116 459 HD21 LEU 59 3HD2 LEU 59 -15.828 -1.656 -9.312 460 HD22 LEU 59 1HD2 LEU 59 -16.897 -0.265 -9.126 461 HD23 LEU 59 2HD2 LEU 59 -16.967 -1.590 -7.970 462 H ALA 60 H ALA 60 -13.180 3.341 -9.103 463 HA ALA 60 HA ALA 60 -14.356 4.796 -7.008 464 HB1 ALA 60 1HB ALA 60 -12.752 6.567 -7.504 465 HB2 ALA 60 2HB ALA 60 -12.440 5.845 -9.084 466 HB3 ALA 60 3HB ALA 60 -11.975 4.984 -7.617 467 H LEU 61 H LEU 61 -14.866 4.959 -10.412 468 HA LEU 61 HA LEU 61 -16.194 7.485 -10.456 469 HB2 LEU 61 2HB LEU 61 -15.883 5.282 -12.439 470 HB3 LEU 61 1HB LEU 61 -17.033 6.567 -12.749 471 HG LEU 61 HG LEU 61 -15.140 8.195 -12.671 472 HD11 LEU 61 1HD1 LEU 61 -13.402 5.746 -12.533 473 HD12 LEU 61 2HD1 LEU 61 -13.590 6.958 -11.269 474 HD13 LEU 61 3HD1 LEU 61 -12.848 7.398 -12.809 475 HD21 LEU 61 3HD2 LEU 61 -14.843 5.946 -14.646 476 HD22 LEU 61 1HD2 LEU 61 -14.196 7.575 -14.832 477 HD23 LEU 61 2HD2 LEU 61 -15.940 7.322 -14.786 478 H VAL 62 H VAL 62 -17.242 4.382 -9.482 479 HA VAL 62 HA VAL 62 -19.974 5.220 -10.019 480 HB VAL 62 HB VAL 62 -20.742 2.890 -9.677 481 HG11 VAL 62 1HG1 VAL 62 -18.569 3.217 -11.728 482 HG12 VAL 62 2HG1 VAL 62 -20.262 3.685 -11.906 483 HG13 VAL 62 3HG1 VAL 62 -19.825 1.982 -11.753 484 HG21 VAL 62 3HG2 VAL 62 -19.105 1.044 -9.658 485 HG22 VAL 62 1HG2 VAL 62 -18.978 2.043 -8.209 486 HG23 VAL 62 2HG2 VAL 62 -17.800 2.221 -9.506 487 H LYS 63 H LYS 63 -18.154 3.734 -7.359 488 HA LYS 63 HA LYS 63 -19.517 5.478 -5.528 489 HB2 LYS 63 2HB LYS 63 -19.842 2.479 -5.317 490 HB3 LYS 63 1HB LYS 63 -19.940 3.515 -3.905 491 HG2 LYS 63 2HG LYS 63 -21.811 4.737 -5.087 492 HG3 LYS 63 1HG LYS 63 -21.765 3.447 -6.291 493 HD2 LYS 63 2HD LYS 63 -22.151 2.967 -3.341 494 HD3 LYS 63 1HD LYS 63 -23.487 3.189 -4.460 495 HE2 LYS 63 2HE LYS 63 -21.367 1.071 -4.722 496 HE3 LYS 63 1HE LYS 63 -22.930 0.805 -3.954 497 HZ1 LYS 63 3HZ LYS 63 -22.502 1.573 -6.801 498 HZ2 LYS 63 1HZ LYS 63 -24.002 1.368 -6.060 499 HZ3 LYS 63 2HZ LYS 63 -22.952 0.064 -6.251 500 HA PRO 64 HA PRO 64 -15.118 5.284 -4.522 501 HB2 PRO 64 2HB PRO 64 -15.950 7.459 -2.689 502 HB3 PRO 64 1HB PRO 64 -14.669 7.453 -3.906 503 HG2 PRO 64 2HG PRO 64 -16.933 8.811 -4.291 504 HG3 PRO 64 1HG PRO 64 -16.117 7.977 -5.626 505 HD2 PRO 64 2HD PRO 64 -18.551 7.175 -4.083 506 HD3 PRO 64 1HD PRO 64 -18.201 7.015 -5.818 507 H GLU 65 H GLU 65 -17.877 5.197 -2.475 508 HA GLU 65 HA GLU 65 -16.571 4.633 -0.057 509 HB2 GLU 65 2HB GLU 65 -19.375 4.393 -1.000 510 HB3 GLU 65 1HB GLU 65 -18.920 3.540 0.464 511 HG2 GLU 65 2HG GLU 65 -19.909 5.772 0.862 512 HG3 GLU 65 1HG GLU 65 -18.301 5.579 1.546 513 H LYS 66 H LYS 66 -17.613 2.570 -2.695 514 HA LYS 66 HA LYS 66 -17.040 0.239 -1.104 515 HB2 LYS 66 2HB LYS 66 -17.437 0.152 -4.107 516 HB3 LYS 66 1HB LYS 66 -17.721 -1.124 -2.926 517 HG2 LYS 66 2HG LYS 66 -19.411 1.325 -3.406 518 HG3 LYS 66 1HG LYS 66 -19.827 -0.357 -3.708 519 HD2 LYS 66 2HD LYS 66 -19.373 0.913 -0.998 520 HD3 LYS 66 1HD LYS 66 -20.938 0.521 -1.698 521 HE2 LYS 66 2HE LYS 66 -20.330 -1.845 -1.694 522 HE3 LYS 66 1HE LYS 66 -18.772 -1.456 -0.974 523 HZ1 LYS 66 3HZ LYS 66 -20.010 -0.530 0.959 524 HZ2 LYS 66 1HZ LYS 66 -20.264 -2.172 0.730 525 HZ3 LYS 66 2HZ LYS 66 -21.450 -1.080 0.280 526 H THR 67 H THR 67 -15.419 2.291 -3.414 527 HA THR 67 HA THR 67 -13.208 0.773 -4.124 528 HB THR 67 HB THR 67 -13.082 3.682 -3.449 529 HG1 THR 67 1HG THR 67 -14.034 2.827 -5.970 530 HG21 THR 67 3HG2 THR 67 -11.057 2.626 -4.342 531 HG22 THR 67 1HG2 THR 67 -11.709 3.781 -5.504 532 HG23 THR 67 2HG2 THR 67 -11.961 2.053 -5.742 533 H LYS 68 H LYS 68 -13.633 3.081 -1.455 534 HA LYS 68 HA LYS 68 -11.110 2.628 -0.299 535 HB2 LYS 68 2HB LYS 68 -12.004 3.847 1.674 536 HB3 LYS 68 1HB LYS 68 -12.271 4.679 0.150 537 HG2 LYS 68 2HG LYS 68 -14.587 3.739 0.154 538 HG3 LYS 68 1HG LYS 68 -14.277 3.154 1.781 539 HD2 LYS 68 2HD LYS 68 -15.475 5.272 1.866 540 HD3 LYS 68 1HD LYS 68 -13.836 5.444 2.505 541 HE2 LYS 68 2HE LYS 68 -13.080 6.553 0.566 542 HE3 LYS 68 1HE LYS 68 -14.524 6.118 -0.344 543 HZ1 LYS 68 3HZ LYS 68 -14.434 8.446 0.440 544 HZ2 LYS 68 1HZ LYS 68 -14.575 7.909 2.032 545 HZ3 LYS 68 2HZ LYS 68 -15.814 7.612 0.904 546 H ALA 69 H ALA 69 -14.162 0.987 0.073 547 HA ALA 69 HA ALA 69 -13.479 -0.462 2.401 548 HB1 ALA 69 1HB ALA 69 -15.519 -1.117 0.274 549 HB2 ALA 69 2HB ALA 69 -15.807 -0.115 1.696 550 HB3 ALA 69 3HB ALA 69 -15.433 -1.828 1.885 551 H VAL 70 H VAL 70 -13.297 -1.212 -1.101 552 HA VAL 70 HA VAL 70 -12.204 -3.764 -0.555 553 HB VAL 70 HB VAL 70 -11.609 -3.967 -2.946 554 HG11 VAL 70 1HG1 VAL 70 -14.364 -2.858 -2.525 555 HG12 VAL 70 2HG1 VAL 70 -13.859 -4.523 -2.252 556 HG13 VAL 70 3HG1 VAL 70 -13.849 -3.851 -3.885 557 HG21 VAL 70 3HG2 VAL 70 -12.624 -1.144 -3.217 558 HG22 VAL 70 1HG2 VAL 70 -12.217 -2.219 -4.552 559 HG23 VAL 70 2HG2 VAL 70 -10.960 -1.680 -3.439 560 H GLU 71 H GLU 71 -10.701 -0.631 -1.281 561 HA GLU 71 HA GLU 71 -8.054 -1.488 -1.360 562 HB2 GLU 71 2HB GLU 71 -9.255 1.092 -0.350 563 HB3 GLU 71 1HB GLU 71 -7.507 0.836 -0.385 564 HG2 GLU 71 2HG GLU 71 -7.761 0.509 -2.862 565 HG3 GLU 71 1HG GLU 71 -9.451 0.978 -2.677 566 H ASN 72 H ASN 72 -10.064 -0.592 1.434 567 HA ASN 72 HA ASN 72 -8.253 -0.946 3.471 568 HB2 ASN 72 2HB ASN 72 -10.497 0.057 3.692 569 HB3 ASN 72 1HB ASN 72 -11.209 -1.532 3.455 570 HD21 ASN 72 1HD2 ASN 72 -9.475 0.519 5.585 571 HD22 ASN 72 2HD2 ASN 72 -9.624 -0.497 6.966 572 H TYR 73 H TYR 73 -10.344 -3.266 1.830 573 HA TYR 73 HA TYR 73 -9.814 -5.396 3.585 574 HB2 TYR 73 2HB TYR 73 -11.779 -5.351 2.063 575 HB3 TYR 73 1HB TYR 73 -10.690 -5.595 0.698 576 HD1 TYR 73 1HD TYR 73 -11.939 -7.123 3.809 577 HD2 TYR 73 2HD TYR 73 -9.885 -7.763 0.145 578 HE1 TYR 73 1HE TYR 73 -12.020 -9.534 4.188 579 HE2 TYR 73 2HE TYR 73 -9.961 -10.191 0.524 580 HH TYR 73 HH TYR 73 -10.154 -11.698 2.447 581 H LEU 74 H LEU 74 -8.351 -4.461 0.486 582 HA LEU 74 HA LEU 74 -6.562 -6.629 0.457 583 HB2 LEU 74 2HB LEU 74 -6.443 -3.980 -0.959 584 HB3 LEU 74 1HB LEU 74 -5.084 -5.084 -0.989 585 HG LEU 74 HG LEU 74 -6.334 -5.298 -3.012 586 HD11 LEU 74 1HD1 LEU 74 -6.749 -7.718 -1.280 587 HD12 LEU 74 2HD1 LEU 74 -5.295 -7.299 -2.185 588 HD13 LEU 74 3HD1 LEU 74 -6.788 -7.680 -3.042 589 HD21 LEU 74 3HD2 LEU 74 -8.520 -4.547 -2.278 590 HD22 LEU 74 1HD2 LEU 74 -8.714 -6.009 -1.315 591 HD23 LEU 74 2HD2 LEU 74 -8.644 -6.118 -3.075 592 H ILE 75 H ILE 75 -6.300 -3.467 1.927 593 HA ILE 75 HA ILE 75 -3.667 -3.577 2.824 594 HB ILE 75 HB ILE 75 -6.084 -2.511 4.335 595 HG12 ILE 75 2HG1 ILE 75 -4.044 -1.042 2.645 596 HG13 ILE 75 1HG1 ILE 75 -5.692 -1.422 2.157 597 HG21 ILE 75 1HG2 ILE 75 -4.506 -1.168 5.660 598 HG22 ILE 75 2HG2 ILE 75 -3.157 -1.991 4.877 599 HG23 ILE 75 3HG2 ILE 75 -4.270 -2.899 5.897 600 HD11 ILE 75 3HD1 ILE 75 -6.529 -0.003 4.002 601 HD12 ILE 75 1HD1 ILE 75 -5.531 0.890 2.849 602 HD13 ILE 75 2HD1 ILE 75 -4.865 0.400 4.404 603 H GLN 76 H GLN 76 -6.586 -4.832 4.344 604 HA GLN 76 HA GLN 76 -5.380 -6.047 6.582 605 HB2 GLN 76 2HB GLN 76 -7.986 -6.597 5.173 606 HB3 GLN 76 1HB GLN 76 -7.534 -7.318 6.713 607 HG2 GLN 76 2HG GLN 76 -7.447 -5.223 7.762 608 HG3 GLN 76 1HG GLN 76 -7.636 -4.367 6.232 609 HE21 GLN 76 1HE2 GLN 76 -9.150 -4.255 8.672 610 HE22 GLN 76 2HE2 GLN 76 -10.789 -4.577 8.279 611 H MET 77 H MET 77 -6.363 -7.354 3.486 612 HA MET 77 HA MET 77 -5.726 -10.043 3.932 613 HB2 MET 77 2HB MET 77 -7.150 -9.092 2.116 614 HB3 MET 77 1HB MET 77 -5.688 -8.502 1.348 615 HG2 MET 77 2HG MET 77 -4.925 -10.748 0.998 616 HG3 MET 77 1HG MET 77 -6.333 -11.395 1.846 617 HE1 MET 77 3HE MET 77 -5.541 -12.348 -1.063 618 HE2 MET 77 1HE MET 77 -7.104 -12.333 -1.878 619 HE3 MET 77 2HE MET 77 -6.977 -12.925 -0.221 620 H ALA 78 H ALA 78 -3.806 -7.392 2.564 621 HA ALA 78 HA ALA 78 -1.454 -8.927 2.088 622 HB1 ALA 78 1HB ALA 78 -1.920 -6.810 0.923 623 HB2 ALA 78 2HB ALA 78 -0.363 -6.771 1.753 624 HB3 ALA 78 3HB ALA 78 -1.756 -5.946 2.451 625 H ARG 79 H ARG 79 -2.707 -7.079 4.754 626 HA ARG 79 HA ARG 79 -0.439 -6.891 6.395 627 HB2 ARG 79 2HB ARG 79 -2.635 -5.694 6.690 628 HB3 ARG 79 1HB ARG 79 -3.316 -7.206 7.234 629 HG2 ARG 79 2HG ARG 79 -2.804 -5.767 9.098 630 HG3 ARG 79 1HG ARG 79 -1.813 -7.227 9.138 631 HD2 ARG 79 2HD ARG 79 0.090 -6.069 8.365 632 HD3 ARG 79 1HD ARG 79 -0.857 -4.637 7.947 633 HE ARG 79 HE ARG 79 -1.178 -5.166 10.651 634 HH11 ARG 79 1HH1 ARG 79 1.503 -4.269 8.532 635 HH12 ARG 79 2HH1 ARG 79 2.207 -3.202 9.649 636 HH21 ARG 79 1HH2 ARG 79 -0.240 -3.730 12.152 637 HH22 ARG 79 2HH2 ARG 79 1.191 -2.875 11.785 638 H TYR 80 H TYR 80 -2.919 -9.371 6.030 639 HA TYR 80 HA TYR 80 -1.924 -10.996 8.104 640 HB2 TYR 80 2HB TYR 80 -3.683 -11.724 5.746 641 HB3 TYR 80 1HB TYR 80 -3.350 -12.790 7.108 642 HD1 TYR 80 2HD TYR 80 -3.559 -11.027 9.417 643 HD2 TYR 80 1HD TYR 80 -5.946 -11.097 5.889 644 HE1 TYR 80 2HE TYR 80 -5.400 -9.992 10.648 645 HE2 TYR 80 1HE TYR 80 -7.791 -10.057 7.122 646 HH TYR 80 HH TYR 80 -8.542 -9.839 9.450 647 H GLY 81 H GLY 81 -1.391 -10.970 4.562 648 HA2 GLY 81 2HA GLY 81 0.645 -11.407 3.599 649 HA3 GLY 81 1HA GLY 81 1.249 -11.984 5.152 650 H GLN 82 H GLN 82 -1.734 -12.998 3.876 651 HA GLN 82 HA GLN 82 -0.907 -15.733 3.920 652 HB2 GLN 82 2HB GLN 82 -3.219 -16.238 3.454 653 HB3 GLN 82 1HB GLN 82 -3.160 -14.914 4.609 654 HG2 GLN 82 2HG GLN 82 -3.596 -13.319 2.790 655 HG3 GLN 82 1HG GLN 82 -3.735 -14.667 1.665 656 HE21 GLN 82 1HE2 GLN 82 -5.866 -14.327 1.154 657 HE22 GLN 82 2HE2 GLN 82 -7.140 -14.551 2.292 658 H LEU 83 H LEU 83 -0.719 -13.231 1.701 659 HA LEU 83 HA LEU 83 -0.218 -15.076 -0.481 660 HB2 LEU 83 2HB LEU 83 -1.722 -14.102 -1.946 661 HB3 LEU 83 1HB LEU 83 -2.534 -13.998 -0.379 662 HG LEU 83 HG LEU 83 -0.982 -11.635 -1.296 663 HD11 LEU 83 1HD1 LEU 83 -3.744 -12.382 -2.218 664 HD12 LEU 83 2HD1 LEU 83 -2.271 -12.200 -3.191 665 HD13 LEU 83 3HD1 LEU 83 -2.981 -10.791 -2.406 666 HD21 LEU 83 3HD2 LEU 83 -1.894 -11.651 0.969 667 HD22 LEU 83 1HD2 LEU 83 -3.495 -12.030 0.330 668 HD23 LEU 83 2HD2 LEU 83 -2.752 -10.472 -0.028 669 H SER 84 H SER 84 1.045 -14.049 -2.144 670 HA SER 84 HA SER 84 2.257 -11.430 -1.553 671 HB2 SER 84 2HB SER 84 3.547 -13.902 -2.614 672 HB3 SER 84 1HB SER 84 4.405 -12.389 -2.279 673 HG SER 84 HG SER 84 3.650 -12.728 -0.054 674 H GLU 85 H GLU 85 0.169 -12.884 -3.316 675 HA GLU 85 HA GLU 85 1.313 -12.644 -5.973 676 HB2 GLU 85 2HB GLU 85 -1.308 -13.805 -5.075 677 HB3 GLU 85 1HB GLU 85 -0.626 -13.898 -6.690 678 HG2 GLU 85 2HG GLU 85 1.260 -15.193 -5.806 679 HG3 GLU 85 1HG GLU 85 0.534 -15.115 -4.203 680 H LYS 86 H LYS 86 -0.098 -11.707 -7.623 681 HA LYS 86 HA LYS 86 -1.295 -9.297 -6.589 682 HB2 LYS 86 2HB LYS 86 -0.225 -10.069 -9.323 683 HB3 LYS 86 1HB LYS 86 -1.048 -8.563 -8.980 684 HG2 LYS 86 2HG LYS 86 1.345 -8.165 -9.035 685 HG3 LYS 86 1HG LYS 86 0.768 -7.970 -7.382 686 HD2 LYS 86 2HD LYS 86 1.543 -10.313 -6.923 687 HD3 LYS 86 1HD LYS 86 2.248 -10.339 -8.537 688 HE2 LYS 86 2HE LYS 86 3.762 -8.563 -7.961 689 HE3 LYS 86 1HE LYS 86 2.962 -8.326 -6.408 690 HZ1 LYS 86 3HZ LYS 86 4.488 -10.735 -7.243 691 HZ2 LYS 86 1HZ LYS 86 3.686 -10.571 -5.760 692 HZ3 LYS 86 2HZ LYS 86 4.994 -9.580 -6.137 693 H VAL 87 H VAL 87 -3.405 -9.320 -6.461 694 HA VAL 87 HA VAL 87 -5.010 -11.343 -7.730 695 HB VAL 87 HB VAL 87 -5.834 -8.945 -6.047 696 HG11 VAL 87 1HG1 VAL 87 -7.683 -9.801 -7.379 697 HG12 VAL 87 2HG1 VAL 87 -7.927 -10.146 -5.668 698 HG13 VAL 87 3HG1 VAL 87 -7.386 -11.424 -6.761 699 HG21 VAL 87 3HG2 VAL 87 -5.386 -11.811 -5.223 700 HG22 VAL 87 1HG2 VAL 87 -6.021 -10.534 -4.188 701 HG23 VAL 87 2HG2 VAL 87 -4.369 -10.437 -4.799 702 H SER 88 H SER 88 -6.369 -11.061 -9.483 703 HA SER 88 HA SER 88 -5.938 -8.619 -10.989 704 HB2 SER 88 2HB SER 88 -7.196 -11.248 -11.820 705 HB3 SER 88 1HB SER 88 -6.818 -9.894 -12.886 706 HG SER 88 HG SER 88 -4.882 -11.166 -11.277 707 H GLU 89 H GLU 89 -8.178 -8.433 -12.519 708 HA GLU 89 HA GLU 89 -9.846 -6.874 -10.934 709 HB2 GLU 89 2HB GLU 89 -10.591 -8.124 -13.562 710 HB3 GLU 89 1HB GLU 89 -11.257 -6.672 -12.839 711 HG2 GLU 89 2HG GLU 89 -9.029 -5.589 -13.060 712 HG3 GLU 89 1HG GLU 89 -8.474 -7.076 -13.804 713 H GLN 90 H GLN 90 -10.375 -10.109 -12.257 714 HA GLN 90 HA GLN 90 -12.986 -10.437 -11.348 715 HB2 GLN 90 2HB GLN 90 -10.864 -12.491 -11.911 716 HB3 GLN 90 1HB GLN 90 -12.529 -12.909 -11.531 717 HG2 GLN 90 2HG GLN 90 -11.710 -11.166 -13.847 718 HG3 GLN 90 1HG GLN 90 -11.991 -12.902 -13.956 719 HE21 GLN 90 1HE2 GLN 90 -13.630 -12.602 -15.428 720 HE22 GLN 90 2HE2 GLN 90 -15.185 -12.019 -14.994 721 H GLY 91 H GLY 91 -9.958 -11.195 -9.696 722 HA2 GLY 91 2HA GLY 91 -11.184 -12.360 -7.423 723 HA3 GLY 91 1HA GLY 91 -9.541 -11.725 -7.496 724 H LEU 92 H LEU 92 -10.151 -9.093 -8.224 725 HA LEU 92 HA LEU 92 -10.735 -7.930 -5.720 726 HB2 LEU 92 2HB LEU 92 -9.333 -6.809 -7.385 727 HB3 LEU 92 1HB LEU 92 -10.699 -6.661 -8.467 728 HG LEU 92 HG LEU 92 -11.810 -5.198 -6.770 729 HD11 LEU 92 1HD1 LEU 92 -9.125 -5.295 -5.413 730 HD12 LEU 92 2HD1 LEU 92 -10.650 -5.914 -4.776 731 HD13 LEU 92 3HD1 LEU 92 -10.437 -4.185 -5.024 732 HD21 LEU 92 3HD2 LEU 92 -10.649 -4.248 -8.685 733 HD22 LEU 92 1HD2 LEU 92 -9.132 -4.260 -7.788 734 HD23 LEU 92 2HD2 LEU 92 -10.460 -3.222 -7.262 735 H ILE 93 H ILE 93 -12.663 -8.505 -8.586 736 HA ILE 93 HA ILE 93 -14.947 -7.088 -7.800 737 HB ILE 93 HB ILE 93 -14.651 -9.456 -9.671 738 HG12 ILE 93 2HG1 ILE 93 -15.126 -6.518 -10.218 739 HG13 ILE 93 1HG1 ILE 93 -13.558 -7.312 -10.283 740 HG21 ILE 93 1HG2 ILE 93 -17.112 -7.750 -9.233 741 HG22 ILE 93 2HG2 ILE 93 -16.952 -9.458 -8.831 742 HG23 ILE 93 3HG2 ILE 93 -16.907 -8.940 -10.519 743 HD11 ILE 93 3HD1 ILE 93 -14.358 -8.712 -12.108 744 HD12 ILE 93 1HD1 ILE 93 -14.484 -6.997 -12.488 745 HD13 ILE 93 2HD1 ILE 93 -15.927 -7.905 -12.033 746 H GLU 94 H GLU 94 -13.906 -10.368 -7.073 747 HA GLU 94 HA GLU 94 -16.291 -11.126 -5.752 748 HB2 GLU 94 2HB GLU 94 -13.475 -12.085 -5.242 749 HB3 GLU 94 1HB GLU 94 -14.941 -12.892 -4.696 750 HG2 GLU 94 2HG GLU 94 -15.579 -13.115 -7.119 751 HG3 GLU 94 1HG GLU 94 -13.965 -12.536 -7.511 752 H ILE 95 H ILE 95 -13.392 -9.474 -4.732 753 HA ILE 95 HA ILE 95 -13.986 -9.295 -1.986 754 HB ILE 95 HB ILE 95 -12.253 -7.513 -3.743 755 HG12 ILE 95 2HG1 ILE 95 -11.523 -9.771 -1.860 756 HG13 ILE 95 1HG1 ILE 95 -11.599 -9.894 -3.612 757 HG21 ILE 95 1HG2 ILE 95 -12.359 -7.655 -0.732 758 HG22 ILE 95 2HG2 ILE 95 -12.930 -6.318 -1.720 759 HG23 ILE 95 3HG2 ILE 95 -11.209 -6.716 -1.685 760 HD11 ILE 95 3HD1 ILE 95 -9.714 -8.148 -2.049 761 HD12 ILE 95 1HD1 ILE 95 -9.770 -8.288 -3.805 762 HD13 ILE 95 2HD1 ILE 95 -9.315 -9.681 -2.825 763 H LEU 96 H LEU 96 -14.685 -7.272 -4.748 764 HA LEU 96 HA LEU 96 -15.957 -5.112 -3.487 765 HB2 LEU 96 2HB LEU 96 -15.269 -5.123 -5.840 766 HB3 LEU 96 1HB LEU 96 -16.485 -6.328 -6.197 767 HG LEU 96 HG LEU 96 -18.212 -4.642 -5.479 768 HD11 LEU 96 1HD1 LEU 96 -15.870 -2.755 -5.617 769 HD12 LEU 96 2HD1 LEU 96 -16.785 -3.178 -4.175 770 HD13 LEU 96 3HD1 LEU 96 -17.565 -2.288 -5.481 771 HD21 LEU 96 3HD2 LEU 96 -16.466 -3.957 -7.841 772 HD22 LEU 96 1HD2 LEU 96 -18.138 -3.443 -7.610 773 HD23 LEU 96 2HD2 LEU 96 -17.763 -5.151 -7.821 774 H LYS 97 H LYS 97 -17.179 -8.190 -4.661 775 HA LYS 97 HA LYS 97 -19.911 -7.738 -4.165 776 HB2 LYS 97 2HB LYS 97 -18.408 -10.363 -4.227 777 HB3 LYS 97 1HB LYS 97 -20.152 -10.209 -4.258 778 HG2 LYS 97 2HG LYS 97 -18.448 -8.951 -6.392 779 HG3 LYS 97 1HG LYS 97 -18.857 -10.652 -6.462 780 HD2 LYS 97 2HD LYS 97 -20.390 -9.398 -7.850 781 HD3 LYS 97 1HD LYS 97 -21.256 -10.033 -6.461 782 HE2 LYS 97 2HE LYS 97 -21.280 -7.857 -5.431 783 HE3 LYS 97 1HE LYS 97 -20.239 -7.187 -6.700 784 HZ1 LYS 97 3HZ LYS 97 -22.041 -7.601 -8.259 785 HZ2 LYS 97 1HZ LYS 97 -22.559 -6.613 -7.008 786 HZ3 LYS 97 2HZ LYS 97 -23.008 -8.232 -7.036 787 H LYS 98 H LYS 98 -17.405 -9.213 -2.157 788 HA LYS 98 HA LYS 98 -19.222 -9.791 -0.059 789 HB2 LYS 98 2HB LYS 98 -17.276 -10.387 1.287 790 HB3 LYS 98 1HB LYS 98 -17.218 -11.138 -0.302 791 HG2 LYS 98 2HG LYS 98 -15.666 -9.336 -0.995 792 HG3 LYS 98 1HG LYS 98 -15.636 -8.776 0.672 793 HD2 LYS 98 2HD LYS 98 -14.781 -11.505 -0.303 794 HD3 LYS 98 1HD LYS 98 -13.702 -10.207 0.198 795 HE2 LYS 98 2HE LYS 98 -14.710 -10.283 2.450 796 HE3 LYS 98 1HE LYS 98 -15.711 -11.633 1.932 797 HZ1 LYS 98 3HZ LYS 98 -13.756 -12.985 1.656 798 HZ2 LYS 98 1HZ LYS 98 -13.739 -12.265 3.182 799 HZ3 LYS 98 2HZ LYS 98 -12.732 -11.677 1.994 800 H VAL 99 H VAL 99 -17.519 -6.902 -0.865 801 HA VAL 99 HA VAL 99 -18.178 -5.889 1.790 802 HB VAL 99 HB VAL 99 -16.906 -3.871 1.321 803 HG11 VAL 99 1HG1 VAL 99 -14.700 -4.836 1.316 804 HG12 VAL 99 2HG1 VAL 99 -15.374 -6.365 0.706 805 HG13 VAL 99 3HG1 VAL 99 -15.819 -5.790 2.314 806 HG21 VAL 99 3HG2 VAL 99 -16.258 -5.148 -1.331 807 HG22 VAL 99 1HG2 VAL 99 -15.530 -3.674 -0.696 808 HG23 VAL 99 2HG2 VAL 99 -17.250 -3.708 -1.089 809 H SER 100 H SER 100 -19.661 -6.067 -1.144 810 HA SER 100 HA SER 100 -20.862 -3.705 -1.544 811 HB2 SER 100 2HB SER 100 -22.110 -6.454 -1.713 812 HB3 SER 100 1HB SER 100 -22.815 -4.990 -2.390 813 HG SER 100 HG SER 100 -20.182 -5.455 -3.111 814 H GLN 101 H GLN 101 -21.751 -6.134 0.896 815 HA GLN 101 HA GLN 101 -23.493 -4.131 2.116 816 HB2 GLN 101 2HB GLN 101 -23.303 -7.090 2.783 817 HB3 GLN 101 1HB GLN 101 -24.502 -5.953 3.377 818 HG2 GLN 101 2HG GLN 101 -25.352 -5.715 1.059 819 HG3 GLN 101 1HG GLN 101 -24.215 -6.959 0.553 820 HE21 GLN 101 1HE2 GLN 101 -27.138 -6.280 2.220 821 HE22 GLN 101 2HE2 GLN 101 -27.644 -7.913 2.438 822 H GLN 102 H GLN 102 -21.577 -6.858 3.277 823 HA GLN 102 HA GLN 102 -19.321 -5.610 4.086 824 HB2 GLN 102 2HB GLN 102 -19.530 -5.345 6.529 825 HB3 GLN 102 1HB GLN 102 -20.628 -4.274 5.688 826 HG2 GLN 102 2HG GLN 102 -22.068 -5.035 7.304 827 HG3 GLN 102 1HG GLN 102 -22.238 -6.249 6.022 828 HE21 GLN 102 1HE2 GLN 102 -19.399 -6.221 8.062 829 HE22 GLN 102 2HE2 GLN 102 -19.788 -7.652 8.927 830 H THR 103 H THR 103 -17.918 -7.047 4.817 831 HA THR 103 HA THR 103 -18.961 -9.497 5.924 832 HB THR 103 HB THR 103 -16.622 -9.596 3.957 833 HG1 THR 103 1HG THR 103 -18.741 -9.220 2.985 834 HG21 THR 103 3HG2 THR 103 -16.581 -11.340 5.711 835 HG22 THR 103 1HG2 THR 103 -16.908 -12.022 4.118 836 HG23 THR 103 2HG2 THR 103 -18.224 -11.805 5.267 837 H GLU 104 H GLU 104 -15.479 -8.951 5.421 838 HA GLU 104 HA GLU 104 -15.181 -8.922 8.291 839 HB2 GLU 104 2HB GLU 104 -12.988 -8.721 6.205 840 HB3 GLU 104 1HB GLU 104 -12.787 -9.076 7.911 841 HG2 GLU 104 2HG GLU 104 -12.539 -11.151 6.958 842 HG3 GLU 104 1HG GLU 104 -14.250 -11.160 7.372 843 H LYS 105 H LYS 105 -16.448 -6.892 8.187 844 HA LYS 105 HA LYS 105 -15.082 -4.764 9.133 845 HB2 LYS 105 2HB LYS 105 -15.496 -3.039 7.303 846 HB3 LYS 105 1HB LYS 105 -14.123 -4.094 7.083 847 HG2 LYS 105 2HG LYS 105 -15.676 -5.472 5.574 848 HG3 LYS 105 1HG LYS 105 -16.734 -4.057 5.611 849 HD2 LYS 105 2HD LYS 105 -15.375 -3.802 3.672 850 HD3 LYS 105 1HD LYS 105 -14.731 -2.686 4.865 851 HE2 LYS 105 2HE LYS 105 -13.570 -5.417 4.171 852 HE3 LYS 105 1HE LYS 105 -12.942 -3.878 3.614 853 HZ1 LYS 105 3HZ LYS 105 -12.454 -3.351 6.012 854 HZ2 LYS 105 1HZ LYS 105 -11.594 -4.677 5.445 855 HZ3 LYS 105 2HZ LYS 105 -12.905 -4.942 6.404 856 H THR 106 H THR 106 -16.417 -3.227 9.962 857 HA THR 106 HA THR 106 -19.153 -4.206 10.077 858 HB THR 106 HB THR 106 -18.014 -2.069 11.736 859 HG1 THR 106 1HG THR 106 -17.400 -4.841 11.752 860 HG21 THR 106 3HG2 THR 106 -20.041 -4.252 12.268 861 HG22 THR 106 1HG2 THR 106 -20.390 -2.549 11.972 862 HG23 THR 106 2HG2 THR 106 -19.539 -3.030 13.440 863 H THR 107 H THR 107 -20.649 -3.217 8.894 864 HA THR 107 HA THR 107 -20.501 -0.324 8.600 865 HB THR 107 HB THR 107 -21.897 -2.379 6.829 866 HG1 THR 107 1HG THR 107 -19.518 -0.871 6.615 867 HG21 THR 107 3HG2 THR 107 -21.653 0.625 6.509 868 HG22 THR 107 1HG2 THR 107 -23.124 -0.244 6.950 869 HG23 THR 107 2HG2 THR 107 -22.403 -0.479 5.356 870 H THR 108 H THR 108 -22.166 0.796 9.504 871 HA THR 108 HA THR 108 -23.569 -0.323 11.579 872 HB THR 108 HB THR 108 -24.200 2.275 10.168 873 HG1 THR 108 1HG THR 108 -22.882 2.771 12.313 874 HG21 THR 108 3HG2 THR 108 -25.964 1.552 11.734 875 HG22 THR 108 1HG2 THR 108 -25.102 2.957 12.359 876 HG23 THR 108 2HG2 THR 108 -24.755 1.351 13.002 877 H VAL 109 H VAL 109 -25.138 0.875 8.608 878 HA VAL 109 HA VAL 109 -27.189 -1.175 9.020 879 HB VAL 109 HB VAL 109 -27.841 1.030 10.137 880 HG11 VAL 109 1HG1 VAL 109 -27.005 2.597 8.566 881 HG12 VAL 109 2HG1 VAL 109 -28.755 2.806 8.711 882 HG13 VAL 109 3HG1 VAL 109 -28.074 1.978 7.312 883 HG21 VAL 109 3HG2 VAL 109 -29.559 -0.596 9.694 884 HG22 VAL 109 1HG2 VAL 109 -29.678 -0.072 8.009 885 HG23 VAL 109 2HG2 VAL 109 -30.180 1.006 9.307 886 H LYS 110 H LYS 110 -28.591 -1.372 7.054 887 HA LYS 110 HA LYS 110 -27.046 -0.684 4.686 888 HB2 LYS 110 2HB LYS 110 -28.413 -2.288 3.458 889 HB3 LYS 110 1HB LYS 110 -27.711 -3.060 4.868 890 HG2 LYS 110 2HG LYS 110 -29.838 -3.019 6.006 891 HG3 LYS 110 1HG LYS 110 -30.552 -2.043 4.719 892 HD2 LYS 110 2HD LYS 110 -30.161 -3.878 3.127 893 HD3 LYS 110 1HD LYS 110 -29.488 -4.856 4.428 894 HE2 LYS 110 2HE LYS 110 -31.799 -5.485 3.968 895 HE3 LYS 110 1HE LYS 110 -31.636 -4.797 5.582 896 HZ1 LYS 110 3HZ LYS 110 -32.600 -3.261 3.212 897 HZ2 LYS 110 1HZ LYS 110 -32.625 -2.752 4.807 898 HZ3 LYS 110 2HZ LYS 110 -33.613 -4.015 4.317 899 H PHE 111 H PHE 111 -27.723 0.816 3.296 900 HA PHE 111 HA PHE 111 -30.357 1.978 3.753 901 HB2 PHE 111 2HB PHE 111 -27.948 3.061 2.256 902 HB3 PHE 111 1HB PHE 111 -29.514 3.857 2.311 903 HD1 PHE 111 2HD PHE 111 -30.381 4.675 4.513 904 HD2 PHE 111 1HD PHE 111 -26.382 3.313 3.983 905 HE1 PHE 111 2HE PHE 111 -29.712 5.842 6.580 906 HE2 PHE 111 1HE PHE 111 -25.708 4.478 6.046 907 HZ PHE 111 HZ PHE 111 -27.377 5.744 7.342 908 H ASN 112 H ASN 112 -30.734 -0.263 2.789 909 HA ASN 112 HA ASN 112 -31.287 0.081 -0.033 910 HB2 ASN 112 2HB ASN 112 -29.211 -1.269 0.121 911 HB3 ASN 112 1HB ASN 112 -30.037 -2.394 1.195 912 HD21 ASN 112 1HD2 ASN 112 -31.400 -0.859 -1.676 913 HD22 ASN 112 2HD2 ASN 112 -31.596 -2.324 -2.556 Start of MODEL 14 1 H1 GLY 0 1HT GLY 0 16.056 45.317 24.851 2 H2 GLY 0 2HT GLY 0 14.546 45.988 25.199 3 H3 GLY 0 3HT GLY 0 15.322 46.403 23.768 4 HA2 GLY 0 1HA GLY 0 15.100 44.116 23.005 5 HA3 GLY 0 2HA GLY 0 14.271 43.745 24.516 6 H SER 1 H SER 1 12.645 43.133 22.732 7 HA SER 1 HA SER 1 10.906 45.439 22.361 8 HB2 SER 1 2HB SER 1 10.335 44.453 20.105 9 HB3 SER 1 1HB SER 1 11.964 45.112 20.227 10 HG SER 1 HG SER 1 11.118 42.518 19.837 11 H ALA 2 H ALA 2 11.002 43.365 24.352 12 HA ALA 2 HA ALA 2 9.460 41.114 23.949 13 HB1 ALA 2 1HB ALA 2 10.798 41.533 25.943 14 HB2 ALA 2 2HB ALA 2 9.155 41.016 26.327 15 HB3 ALA 2 3HB ALA 2 9.603 42.714 26.481 16 H ASP 3 H ASP 3 8.285 44.336 24.816 17 HA ASP 3 HA ASP 3 5.605 43.497 25.247 18 HB2 ASP 3 2HB ASP 3 6.657 46.260 24.568 19 HB3 ASP 3 1HB ASP 3 5.067 45.879 25.203 20 H GLU 4 H GLU 4 7.410 44.894 22.614 21 HA GLU 4 HA GLU 4 5.298 45.104 20.793 22 HB2 GLU 4 2HB GLU 4 8.259 44.809 20.234 23 HB3 GLU 4 1HB GLU 4 7.053 45.405 19.105 24 HG2 GLU 4 2HG GLU 4 7.958 47.377 19.821 25 HG3 GLU 4 1HG GLU 4 6.641 47.212 20.968 26 H GLU 5 H GLU 5 7.572 42.535 21.527 27 HA GLU 5 HA GLU 5 6.917 40.720 19.484 28 HB2 GLU 5 2HB GLU 5 7.764 40.095 22.322 29 HB3 GLU 5 1HB GLU 5 7.752 38.950 20.998 30 HG2 GLU 5 2HG GLU 5 9.509 41.375 21.276 31 HG3 GLU 5 1HG GLU 5 9.993 39.692 21.446 32 H LEU 6 H LEU 6 5.592 41.297 22.679 33 HA LEU 6 HA LEU 6 3.708 39.214 22.705 34 HB2 LEU 6 2HB LEU 6 4.386 40.455 24.731 35 HB3 LEU 6 1HB LEU 6 3.594 41.889 24.113 36 HG LEU 6 HG LEU 6 1.417 40.710 24.245 37 HD11 LEU 6 1HD1 LEU 6 2.173 38.421 24.045 38 HD12 LEU 6 2HD1 LEU 6 1.260 38.639 25.536 39 HD13 LEU 6 3HD1 LEU 6 3.020 38.544 25.586 40 HD21 LEU 6 3HD2 LEU 6 1.220 40.792 26.684 41 HD22 LEU 6 1HD2 LEU 6 2.142 42.161 26.063 42 HD23 LEU 6 2HD2 LEU 6 2.978 40.806 26.823 43 H GLU 7 H GLU 7 3.501 42.587 21.716 44 HA GLU 7 HA GLU 7 0.810 42.720 20.950 45 HB2 GLU 7 2HB GLU 7 2.333 44.683 21.096 46 HB3 GLU 7 1HB GLU 7 3.204 44.074 19.697 47 HG2 GLU 7 2HG GLU 7 1.797 45.882 19.028 48 HG3 GLU 7 1HG GLU 7 1.194 44.385 18.332 49 H ALA 8 H ALA 8 3.671 41.841 19.096 50 HA ALA 8 HA ALA 8 2.427 41.276 16.650 51 HB1 ALA 8 1HB ALA 8 4.946 40.067 17.793 52 HB2 ALA 8 2HB ALA 8 4.853 41.577 16.884 53 HB3 ALA 8 3HB ALA 8 4.469 40.044 16.098 54 H LEU 9 H LEU 9 3.235 39.178 19.370 55 HA LEU 9 HA LEU 9 2.366 36.727 18.308 56 HB2 LEU 9 2HB LEU 9 3.763 37.001 20.329 57 HB3 LEU 9 1HB LEU 9 2.379 37.652 21.174 58 HG LEU 9 HG LEU 9 1.225 35.462 20.754 59 HD11 LEU 9 1HD1 LEU 9 4.011 34.605 20.013 60 HD12 LEU 9 2HD1 LEU 9 2.595 34.623 18.957 61 HD13 LEU 9 3HD1 LEU 9 2.661 33.519 20.331 62 HD21 LEU 9 3HD2 LEU 9 2.325 34.364 22.616 63 HD22 LEU 9 1HD2 LEU 9 2.127 36.090 22.910 64 HD23 LEU 9 2HD2 LEU 9 3.713 35.449 22.452 65 H ARG 10 H ARG 10 0.757 39.160 20.226 66 HA ARG 10 HA ARG 10 -1.734 37.988 20.668 67 HB2 ARG 10 2HB ARG 10 -0.850 39.921 21.846 68 HB3 ARG 10 1HB ARG 10 -0.860 40.853 20.371 69 HG2 ARG 10 2HG ARG 10 -3.290 40.856 20.379 70 HG3 ARG 10 1HG ARG 10 -3.288 39.864 21.847 71 HD2 ARG 10 2HD ARG 10 -2.093 41.575 23.061 72 HD3 ARG 10 1HD ARG 10 -1.953 42.559 21.609 73 HE ARG 10 HE ARG 10 -4.634 42.083 22.057 74 HH11 ARG 10 1HH1 ARG 10 -1.982 43.735 23.697 75 HH12 ARG 10 2HH1 ARG 10 -2.945 44.965 24.361 76 HH21 ARG 10 1HH2 ARG 10 -5.997 43.778 22.981 77 HH22 ARG 10 2HH2 ARG 10 -5.322 44.972 23.953 78 H ARG 11 H ARG 11 -0.565 39.995 18.028 79 HA ARG 11 HA ARG 11 -3.092 39.983 16.674 80 HB2 ARG 11 2HB ARG 11 -0.369 40.914 15.758 81 HB3 ARG 11 1HB ARG 11 -1.877 41.195 14.886 82 HG2 ARG 11 2HG ARG 11 -2.771 42.446 16.734 83 HG3 ARG 11 1HG ARG 11 -1.344 42.093 17.698 84 HD2 ARG 11 2HD ARG 11 0.017 43.366 16.173 85 HD3 ARG 11 1HD ARG 11 -1.393 43.718 15.156 86 HE ARG 11 HE ARG 11 -1.210 44.464 17.982 87 HH11 ARG 11 1HH1 ARG 11 -1.970 45.370 14.648 88 HH12 ARG 11 2HH1 ARG 11 -2.352 46.978 15.017 89 HH21 ARG 11 1HH2 ARG 11 -1.735 46.659 18.492 90 HH22 ARG 11 2HH2 ARG 11 -2.199 47.752 17.261 91 H GLN 12 H GLN 12 -0.163 38.151 16.509 92 HA GLN 12 HA GLN 12 -0.700 36.663 14.187 93 HB2 GLN 12 2HB GLN 12 1.480 36.687 15.327 94 HB3 GLN 12 1HB GLN 12 0.764 35.894 16.718 95 HG2 GLN 12 2HG GLN 12 0.300 33.927 15.302 96 HG3 GLN 12 1HG GLN 12 1.125 34.736 13.969 97 HE21 GLN 12 1HE2 GLN 12 3.349 35.068 14.092 98 HE22 GLN 12 2HE2 GLN 12 4.330 34.181 15.185 99 H ARG 13 H ARG 13 -1.480 36.196 17.602 100 HA ARG 13 HA ARG 13 -2.891 33.808 17.526 101 HB2 ARG 13 2HB ARG 13 -2.155 35.208 19.545 102 HB3 ARG 13 1HB ARG 13 -3.549 36.211 19.251 103 HG2 ARG 13 2HG ARG 13 -3.689 33.266 19.938 104 HG3 ARG 13 1HG ARG 13 -3.823 34.564 21.112 105 HD2 ARG 13 2HD ARG 13 -5.810 35.397 19.855 106 HD3 ARG 13 1HD ARG 13 -5.697 33.977 18.823 107 HE ARG 13 HE ARG 13 -6.154 33.905 21.716 108 HH11 ARG 13 1HH1 ARG 13 -6.627 32.417 18.523 109 HH12 ARG 13 2HH1 ARG 13 -7.879 31.391 19.053 110 HH21 ARG 13 1HH2 ARG 13 -7.917 32.478 22.407 111 HH22 ARG 13 2HH2 ARG 13 -8.627 31.444 21.265 112 H LEU 14 H LEU 14 -3.925 37.099 16.803 113 HA LEU 14 HA LEU 14 -6.661 36.577 16.474 114 HB2 LEU 14 2HB LEU 14 -5.770 38.844 16.698 115 HB3 LEU 14 1HB LEU 14 -4.944 38.690 15.164 116 HG LEU 14 HG LEU 14 -7.127 38.564 14.015 117 HD11 LEU 14 1HD1 LEU 14 -8.462 37.626 15.801 118 HD12 LEU 14 2HD1 LEU 14 -9.172 39.138 15.231 119 HD13 LEU 14 3HD1 LEU 14 -8.274 39.100 16.749 120 HD21 LEU 14 3HD2 LEU 14 -6.786 40.971 15.798 121 HD22 LEU 14 1HD2 LEU 14 -7.744 40.912 14.321 122 HD23 LEU 14 2HD2 LEU 14 -5.994 40.707 14.243 123 H ALA 15 H ALA 15 -3.956 36.275 14.243 124 HA ALA 15 HA ALA 15 -5.519 35.787 11.929 125 HB1 ALA 15 1HB ALA 15 -2.670 34.968 12.521 126 HB2 ALA 15 2HB ALA 15 -3.176 36.472 11.750 127 HB3 ALA 15 3HB ALA 15 -3.431 34.932 10.933 128 H GLU 16 H GLU 16 -4.026 33.793 14.366 129 HA GLU 16 HA GLU 16 -4.703 31.251 13.384 130 HB2 GLU 16 2HB GLU 16 -4.394 32.159 16.253 131 HB3 GLU 16 1HB GLU 16 -4.340 30.496 15.684 132 HG2 GLU 16 2HG GLU 16 -2.410 32.660 14.913 133 HG3 GLU 16 1HG GLU 16 -2.100 31.413 16.116 134 H LEU 17 H LEU 17 -6.376 33.520 15.472 135 HA LEU 17 HA LEU 17 -8.618 31.961 16.124 136 HB2 LEU 17 2HB LEU 17 -7.837 34.067 17.270 137 HB3 LEU 17 1HB LEU 17 -8.401 34.982 15.903 138 HG LEU 17 HG LEU 17 -9.843 35.107 17.951 139 HD11 LEU 17 1HD1 LEU 17 -11.212 33.995 15.525 140 HD12 LEU 17 2HD1 LEU 17 -10.822 35.689 15.831 141 HD13 LEU 17 3HD1 LEU 17 -11.998 34.856 16.847 142 HD21 LEU 17 3HD2 LEU 17 -9.612 32.829 18.722 143 HD22 LEU 17 1HD2 LEU 17 -10.468 32.235 17.299 144 HD23 LEU 17 2HD2 LEU 17 -11.310 33.237 18.480 145 H GLN 18 H GLN 18 -7.826 33.939 13.358 146 HA GLN 18 HA GLN 18 -10.447 33.686 12.232 147 HB2 GLN 18 2HB GLN 18 -7.911 34.857 11.120 148 HB3 GLN 18 1HB GLN 18 -9.443 34.837 10.251 149 HG2 GLN 18 2HG GLN 18 -9.019 36.061 12.934 150 HG3 GLN 18 1HG GLN 18 -8.984 36.979 11.412 151 HE21 GLN 18 1HE2 GLN 18 -10.916 35.378 13.788 152 HE22 GLN 18 2HE2 GLN 18 -12.453 35.893 13.217 153 H ALA 19 H ALA 19 -7.867 31.680 12.482 154 HA ALA 19 HA ALA 19 -7.246 29.688 11.656 155 HB1 ALA 19 1HB ALA 19 -9.649 29.129 11.688 156 HB2 ALA 19 2HB ALA 19 -8.812 28.334 10.356 157 HB3 ALA 19 3HB ALA 19 -9.806 29.757 10.048 158 H LYS 20 H LYS 20 -6.730 32.241 10.292 159 HA LYS 20 HA LYS 20 -6.019 33.213 8.451 160 HB2 LYS 20 2HB LYS 20 -3.958 32.235 7.446 161 HB3 LYS 20 1HB LYS 20 -3.958 32.248 9.195 162 HG2 LYS 20 2HG LYS 20 -4.524 29.801 9.139 163 HG3 LYS 20 1HG LYS 20 -4.353 29.858 7.388 164 HD2 LYS 20 2HD LYS 20 -2.303 29.036 8.298 165 HD3 LYS 20 1HD LYS 20 -2.028 30.664 7.686 166 HE2 LYS 20 2HE LYS 20 -0.936 30.359 9.818 167 HE3 LYS 20 1HE LYS 20 -2.222 31.549 9.969 168 HZ1 LYS 20 3HZ LYS 20 -3.624 29.660 10.887 169 HZ2 LYS 20 1HZ LYS 20 -2.291 30.127 11.824 170 HZ3 LYS 20 2HZ LYS 20 -2.230 28.731 10.878 171 H HIS 21 H HIS 21 -6.064 29.992 7.005 172 HA HIS 21 HA HIS 21 -8.203 30.550 5.246 173 HB2 HIS 21 2HB HIS 21 -6.234 31.963 4.318 174 HB3 HIS 21 1HB HIS 21 -5.475 30.425 3.926 175 HD1 HIS 21 1HD HIS 21 -6.208 29.313 1.745 176 HD2 HIS 21 2HD HIS 21 -8.667 32.463 2.879 177 HE1 HIS 21 1HE HIS 21 -7.732 29.707 -0.182 178 HE2 HIS 21 2HE HIS 21 -9.395 31.337 0.674 179 H GLY 22 H GLY 22 -7.104 28.604 7.165 180 HA2 GLY 22 2HA GLY 22 -6.356 26.351 5.453 181 HA3 GLY 22 1HA GLY 22 -6.117 26.452 7.195 182 H ASP 23 H ASP 23 -8.562 26.232 4.706 183 HA ASP 23 HA ASP 23 -10.448 25.286 6.712 184 HB2 ASP 23 2HB ASP 23 -12.194 25.504 5.077 185 HB3 ASP 23 1HB ASP 23 -11.200 26.948 4.993 186 HA PRO 24 HA PRO 24 -9.812 21.067 5.379 187 HB2 PRO 24 2HB PRO 24 -11.572 19.885 6.968 188 HB3 PRO 24 1HB PRO 24 -10.221 20.780 7.673 189 HG2 PRO 24 2HG PRO 24 -13.087 21.575 7.411 190 HG3 PRO 24 1HG PRO 24 -11.962 21.878 8.743 191 HD2 PRO 24 2HD PRO 24 -12.618 23.677 6.690 192 HD3 PRO 24 1HD PRO 24 -11.248 23.810 7.810 193 H GLY 25 H GLY 25 -11.344 22.568 3.524 194 HA2 GLY 25 2HA GLY 25 -13.918 21.439 3.056 195 HA3 GLY 25 1HA GLY 25 -13.018 22.470 1.957 196 H ASP 26 H ASP 26 -13.895 21.056 0.302 197 HA ASP 26 HA ASP 26 -13.364 18.268 0.296 198 HB2 ASP 26 2HB ASP 26 -15.237 19.217 -0.977 199 HB3 ASP 26 1HB ASP 26 -14.103 20.031 -2.044 200 H ALA 27 H ALA 27 -11.633 21.013 -0.928 201 HA ALA 27 HA ALA 27 -9.820 19.577 -2.569 202 HB1 ALA 27 1HB ALA 27 -10.128 21.995 -2.795 203 HB2 ALA 27 2HB ALA 27 -8.436 21.576 -2.517 204 HB3 ALA 27 3HB ALA 27 -9.410 22.226 -1.199 205 H ALA 28 H ALA 28 -9.653 20.690 0.772 206 HA ALA 28 HA ALA 28 -7.089 19.696 1.329 207 HB1 ALA 28 1HB ALA 28 -7.744 19.837 3.699 208 HB2 ALA 28 2HB ALA 28 -9.430 20.029 3.216 209 HB3 ALA 28 3HB ALA 28 -8.253 21.276 2.815 210 H GLN 29 H GLN 29 -10.283 18.269 1.581 211 HA GLN 29 HA GLN 29 -9.427 15.788 2.615 212 HB2 GLN 29 2HB GLN 29 -11.958 16.506 1.143 213 HB3 GLN 29 1HB GLN 29 -11.678 14.957 1.924 214 HG2 GLN 29 2HG GLN 29 -11.433 16.098 4.080 215 HG3 GLN 29 1HG GLN 29 -11.729 17.639 3.288 216 HE21 GLN 29 1HE2 GLN 29 -13.785 18.133 2.613 217 HE22 GLN 29 2HE2 GLN 29 -15.180 17.253 3.130 218 H GLN 30 H GLN 30 -9.517 17.060 -0.591 219 HA GLN 30 HA GLN 30 -9.423 14.578 -1.981 220 HB2 GLN 30 2HB GLN 30 -10.077 16.948 -2.857 221 HB3 GLN 30 1HB GLN 30 -8.359 17.232 -2.991 222 HG2 GLN 30 2HG GLN 30 -9.596 14.882 -4.379 223 HG3 GLN 30 1HG GLN 30 -9.770 16.488 -5.058 224 HE21 GLN 30 1HE2 GLN 30 -8.637 15.990 -6.860 225 HE22 GLN 30 2HE2 GLN 30 -6.947 15.686 -6.912 226 H GLU 31 H GLU 31 -6.982 16.969 -0.977 227 HA GLU 31 HA GLU 31 -4.833 15.325 -1.772 228 HB2 GLU 31 2HB GLU 31 -4.967 17.765 -0.058 229 HB3 GLU 31 1HB GLU 31 -3.487 16.819 -0.146 230 HG2 GLU 31 2HG GLU 31 -4.918 18.095 -2.447 231 HG3 GLU 31 1HG GLU 31 -3.418 18.655 -1.701 232 H ALA 32 H ALA 32 -6.604 15.594 1.214 233 HA ALA 32 HA ALA 32 -4.921 14.029 2.819 234 HB1 ALA 32 1HB ALA 32 -7.944 14.142 2.872 235 HB2 ALA 32 2HB ALA 32 -6.871 15.263 3.705 236 HB3 ALA 32 3HB ALA 32 -6.910 13.563 4.178 237 H LYS 33 H LYS 33 -7.680 13.081 0.802 238 HA LYS 33 HA LYS 33 -7.411 10.321 1.065 239 HB2 LYS 33 2HB LYS 33 -9.393 11.266 0.070 240 HB3 LYS 33 1HB LYS 33 -8.453 11.992 -1.228 241 HG2 LYS 33 2HG LYS 33 -9.574 10.069 -2.109 242 HG3 LYS 33 1HG LYS 33 -7.839 9.740 -1.964 243 HD2 LYS 33 2HD LYS 33 -8.217 8.514 0.111 244 HD3 LYS 33 1HD LYS 33 -9.953 8.815 -0.024 245 HE2 LYS 33 2HE LYS 33 -9.983 7.600 -2.151 246 HE3 LYS 33 1HE LYS 33 -8.255 7.297 -1.997 247 HZ1 LYS 33 3HZ LYS 33 -9.583 5.404 -1.289 248 HZ2 LYS 33 1HZ LYS 33 -10.336 6.327 -0.112 249 HZ3 LYS 33 2HZ LYS 33 -8.673 5.968 -0.038 250 H HIS 34 H HIS 34 -5.986 12.577 -1.216 251 HA HIS 34 HA HIS 34 -4.649 10.857 -2.914 252 HB2 HIS 34 2HB HIS 34 -4.856 13.285 -3.313 253 HB3 HIS 34 1HB HIS 34 -3.797 13.589 -1.949 254 HD1 HIS 34 1HD HIS 34 -1.989 14.796 -3.217 255 HD2 HIS 34 2HD HIS 34 -2.864 11.058 -4.836 256 HE1 HIS 34 1HE HIS 34 -0.192 14.343 -4.905 257 HE2 HIS 34 2HE HIS 34 -1.044 12.340 -6.126 258 H ARG 35 H ARG 35 -3.414 12.292 0.140 259 HA ARG 35 HA ARG 35 -0.950 10.863 -0.151 260 HB2 ARG 35 2HB ARG 35 -2.007 12.258 2.311 261 HB3 ARG 35 1HB ARG 35 -0.356 11.710 2.064 262 HG2 ARG 35 2HG ARG 35 -0.302 13.274 0.058 263 HG3 ARG 35 1HG ARG 35 -1.803 13.952 0.687 264 HD2 ARG 35 2HD ARG 35 -0.013 15.300 1.500 265 HD3 ARG 35 1HD ARG 35 -0.599 14.334 2.856 266 HE ARG 35 HE ARG 35 1.558 13.127 1.404 267 HH11 ARG 35 1HH1 ARG 35 0.771 15.174 4.181 268 HH12 ARG 35 2HH1 ARG 35 2.346 15.064 4.844 269 HH21 ARG 35 1HH2 ARG 35 3.644 13.029 2.290 270 HH22 ARG 35 2HH2 ARG 35 4.031 13.832 3.738 271 H GLU 36 H GLU 36 -4.006 10.172 1.308 272 HA GLU 36 HA GLU 36 -3.079 8.031 2.899 273 HB2 GLU 36 2HB GLU 36 -5.808 8.772 1.876 274 HB3 GLU 36 1HB GLU 36 -5.526 7.336 2.851 275 HG2 GLU 36 2HG GLU 36 -4.839 10.127 3.665 276 HG3 GLU 36 1HG GLU 36 -6.293 9.254 4.195 277 H ALA 37 H ALA 37 -4.117 8.394 -0.376 278 HA ALA 37 HA ALA 37 -4.241 5.636 -0.987 279 HB1 ALA 37 1HB ALA 37 -5.508 7.300 -2.263 280 HB2 ALA 37 2HB ALA 37 -4.439 6.367 -3.311 281 HB3 ALA 37 3HB ALA 37 -4.000 8.006 -2.839 282 H GLU 38 H GLU 38 -1.837 8.201 -1.595 283 HA GLU 38 HA GLU 38 -0.023 6.805 -3.155 284 HB2 GLU 38 2HB GLU 38 0.558 8.930 -1.088 285 HB3 GLU 38 1HB GLU 38 1.709 8.380 -2.290 286 HG2 GLU 38 2HG GLU 38 -0.941 9.654 -2.920 287 HG3 GLU 38 1HG GLU 38 0.591 10.517 -2.847 288 H MET 39 H MET 39 -0.055 7.003 0.363 289 HA MET 39 HA MET 39 2.281 5.420 0.696 290 HB2 MET 39 2HB MET 39 0.092 6.105 2.648 291 HB3 MET 39 1HB MET 39 1.526 5.191 3.088 292 HG2 MET 39 2HG MET 39 1.510 7.996 1.984 293 HG3 MET 39 1HG MET 39 1.709 7.558 3.679 294 HE1 MET 39 3HE MET 39 3.823 6.351 4.679 295 HE2 MET 39 1HE MET 39 5.179 5.769 3.712 296 HE3 MET 39 2HE MET 39 3.604 5.004 3.563 297 H ARG 40 H ARG 40 -1.116 4.618 0.617 298 HA ARG 40 HA ARG 40 -0.682 1.879 1.340 299 HB2 ARG 40 2HB ARG 40 -3.075 3.355 0.290 300 HB3 ARG 40 1HB ARG 40 -3.087 1.614 0.561 301 HG2 ARG 40 2HG ARG 40 -2.647 1.912 2.887 302 HG3 ARG 40 1HG ARG 40 -2.413 3.643 2.663 303 HD2 ARG 40 2HD ARG 40 -4.715 3.931 2.071 304 HD3 ARG 40 1HD ARG 40 -4.985 2.187 2.097 305 HE ARG 40 HE ARG 40 -4.916 2.207 4.402 306 HH11 ARG 40 1HH1 ARG 40 -4.204 5.450 3.191 307 HH12 ARG 40 2HH1 ARG 40 -4.605 6.217 4.676 308 HH21 ARG 40 1HH2 ARG 40 -5.442 3.257 6.392 309 HH22 ARG 40 2HH2 ARG 40 -5.302 4.947 6.518 310 H ASN 41 H ASN 41 -0.783 3.682 -1.586 311 HA ASN 41 HA ASN 41 -1.295 1.723 -3.458 312 HB2 ASN 41 2HB ASN 41 -1.100 4.192 -3.872 313 HB3 ASN 41 1HB ASN 41 0.645 4.004 -3.825 314 HD21 ASN 41 1HD2 ASN 41 0.945 4.616 -5.925 315 HD22 ASN 41 2HD2 ASN 41 0.461 3.649 -7.268 316 H SER 42 H SER 42 1.623 2.423 -1.691 317 HA SER 42 HA SER 42 3.551 1.071 -3.112 318 HB2 SER 42 2HB SER 42 3.279 1.042 -0.108 319 HB3 SER 42 1HB SER 42 4.764 1.069 -1.063 320 HG SER 42 HG SER 42 3.338 3.114 -0.157 321 H ILE 43 H ILE 43 1.348 -0.218 -0.565 322 HA ILE 43 HA ILE 43 2.228 -2.880 -1.118 323 HB ILE 43 HB ILE 43 0.653 -3.710 0.540 324 HG12 ILE 43 2HG1 ILE 43 -0.398 -0.860 0.840 325 HG13 ILE 43 1HG1 ILE 43 -1.262 -2.182 0.067 326 HG21 ILE 43 1HG2 ILE 43 1.486 -2.546 2.535 327 HG22 ILE 43 2HG2 ILE 43 2.071 -1.240 1.505 328 HG23 ILE 43 3HG2 ILE 43 2.760 -2.853 1.350 329 HD11 ILE 43 3HD1 ILE 43 -1.316 -3.369 2.202 330 HD12 ILE 43 1HD1 ILE 43 -2.059 -1.773 2.324 331 HD13 ILE 43 2HD1 ILE 43 -0.436 -2.041 2.958 332 H LEU 44 H LEU 44 -0.504 -0.899 -1.972 333 HA LEU 44 HA LEU 44 -2.164 -2.902 -2.999 334 HB2 LEU 44 2HB LEU 44 -1.944 -0.051 -3.935 335 HB3 LEU 44 1HB LEU 44 -3.251 -1.135 -4.323 336 HG LEU 44 HG LEU 44 -2.602 -0.096 -1.561 337 HD11 LEU 44 1HD1 LEU 44 -3.530 1.622 -2.992 338 HD12 LEU 44 2HD1 LEU 44 -4.707 1.131 -1.773 339 HD13 LEU 44 3HD1 LEU 44 -4.868 0.560 -3.432 340 HD21 LEU 44 3HD2 LEU 44 -4.874 -1.852 -2.506 341 HD22 LEU 44 1HD2 LEU 44 -4.735 -1.136 -0.901 342 HD23 LEU 44 2HD2 LEU 44 -3.559 -2.332 -1.434 343 H ALA 45 H ALA 45 0.433 -1.093 -4.584 344 HA ALA 45 HA ALA 45 -0.064 -2.019 -7.186 345 HB1 ALA 45 1HB ALA 45 2.163 -1.204 -7.718 346 HB2 ALA 45 2HB ALA 45 2.547 -1.112 -6.001 347 HB3 ALA 45 3HB ALA 45 1.304 -0.063 -6.682 348 H GLN 46 H GLN 46 1.521 -3.572 -4.545 349 HA GLN 46 HA GLN 46 2.687 -5.532 -6.363 350 HB2 GLN 46 2HB GLN 46 3.908 -6.390 -4.371 351 HB3 GLN 46 1HB GLN 46 4.260 -4.712 -4.731 352 HG2 GLN 46 2HG GLN 46 2.593 -4.103 -2.960 353 HG3 GLN 46 1HG GLN 46 2.549 -5.812 -2.529 354 HE21 GLN 46 1HE2 GLN 46 4.396 -2.893 -2.471 355 HE22 GLN 46 2HE2 GLN 46 5.646 -3.464 -1.435 356 H VAL 47 H VAL 47 0.061 -5.119 -4.316 357 HA VAL 47 HA VAL 47 -0.535 -7.995 -4.152 358 HB VAL 47 HB VAL 47 -1.970 -5.596 -2.952 359 HG11 VAL 47 1HG1 VAL 47 -3.496 -7.465 -3.389 360 HG12 VAL 47 2HG1 VAL 47 -3.249 -7.221 -1.656 361 HG13 VAL 47 3HG1 VAL 47 -2.418 -8.533 -2.492 362 HG21 VAL 47 3HG2 VAL 47 -0.240 -7.684 -1.644 363 HG22 VAL 47 1HG2 VAL 47 -1.111 -6.386 -0.823 364 HG23 VAL 47 2HG2 VAL 47 0.205 -6.001 -1.937 365 H LEU 48 H LEU 48 -1.845 -5.065 -5.519 366 HA LEU 48 HA LEU 48 -3.865 -6.625 -6.878 367 HB2 LEU 48 2HB LEU 48 -3.221 -3.692 -6.823 368 HB3 LEU 48 1HB LEU 48 -4.484 -4.397 -7.801 369 HG LEU 48 HG LEU 48 -4.447 -4.545 -4.777 370 HD11 LEU 48 1HD1 LEU 48 -6.064 -2.714 -4.844 371 HD12 LEU 48 2HD1 LEU 48 -5.904 -2.622 -6.599 372 HD13 LEU 48 3HD1 LEU 48 -4.538 -2.196 -5.570 373 HD21 LEU 48 3HD2 LEU 48 -6.821 -5.033 -5.112 374 HD22 LEU 48 1HD2 LEU 48 -5.788 -6.223 -5.928 375 HD23 LEU 48 2HD2 LEU 48 -6.554 -4.930 -6.855 376 H ASP 49 H ASP 49 -3.562 -7.299 -8.840 377 HA ASP 49 HA ASP 49 -1.307 -6.794 -10.440 378 HB2 ASP 49 2HB ASP 49 -2.808 -8.756 -10.770 379 HB3 ASP 49 1HB ASP 49 -4.094 -7.669 -11.280 380 H GLN 50 H GLN 50 -1.359 -5.606 -12.447 381 HA GLN 50 HA GLN 50 -2.172 -2.929 -12.158 382 HB2 GLN 50 2HB GLN 50 -0.313 -3.461 -13.610 383 HB3 GLN 50 1HB GLN 50 -1.349 -4.424 -14.652 384 HG2 GLN 50 2HG GLN 50 -0.796 -2.270 -15.651 385 HG3 GLN 50 1HG GLN 50 -2.525 -2.447 -15.376 386 HE21 GLN 50 1HE2 GLN 50 -2.938 -0.307 -15.357 387 HE22 GLN 50 2HE2 GLN 50 -2.417 0.780 -14.123 388 H SER 51 H SER 51 -3.781 -5.647 -13.674 389 HA SER 51 HA SER 51 -5.789 -4.157 -15.039 390 HB2 SER 51 2HB SER 51 -6.204 -6.979 -13.989 391 HB3 SER 51 1HB SER 51 -6.813 -6.231 -15.450 392 HG SER 51 HG SER 51 -4.178 -7.042 -14.892 393 H ALA 52 H ALA 52 -5.375 -5.407 -11.823 394 HA ALA 52 HA ALA 52 -8.047 -5.026 -10.983 395 HB1 ALA 52 1HB ALA 52 -5.553 -5.361 -9.324 396 HB2 ALA 52 2HB ALA 52 -6.577 -6.666 -9.916 397 HB3 ALA 52 3HB ALA 52 -7.213 -5.514 -8.743 398 H ARG 53 H ARG 53 -5.098 -3.088 -10.901 399 HA ARG 53 HA ARG 53 -6.076 -1.002 -9.242 400 HB2 ARG 53 2HB ARG 53 -3.811 -1.262 -11.088 401 HB3 ARG 53 1HB ARG 53 -4.452 0.370 -10.983 402 HG2 ARG 53 2HG ARG 53 -2.703 0.211 -9.402 403 HG3 ARG 53 1HG ARG 53 -4.209 0.202 -8.500 404 HD2 ARG 53 2HD ARG 53 -2.812 -1.504 -7.520 405 HD3 ARG 53 1HD ARG 53 -4.076 -2.255 -8.444 406 HE ARG 53 HE ARG 53 -2.544 -3.320 -9.601 407 HH11 ARG 53 1HH1 ARG 53 -1.009 -0.172 -8.859 408 HH12 ARG 53 2HH1 ARG 53 0.493 -0.584 -9.504 409 HH21 ARG 53 1HH2 ARG 53 -0.407 -3.911 -10.413 410 HH22 ARG 53 2HH2 ARG 53 0.848 -2.778 -10.409 411 H ALA 54 H ALA 54 -6.196 -1.426 -12.733 412 HA ALA 54 HA ALA 54 -7.514 0.992 -13.291 413 HB1 ALA 54 1HB ALA 54 -7.611 -1.613 -14.818 414 HB2 ALA 54 2HB ALA 54 -6.387 -0.359 -15.002 415 HB3 ALA 54 3HB ALA 54 -8.062 -0.025 -15.445 416 H ARG 55 H ARG 55 -8.662 -2.247 -12.543 417 HA ARG 55 HA ARG 55 -11.407 -1.817 -12.908 418 HB2 ARG 55 2HB ARG 55 -10.067 -3.997 -12.570 419 HB3 ARG 55 1HB ARG 55 -10.209 -3.659 -10.855 420 HG2 ARG 55 2HG ARG 55 -11.918 -5.181 -11.427 421 HG3 ARG 55 1HG ARG 55 -12.700 -3.611 -11.178 422 HD2 ARG 55 2HD ARG 55 -12.690 -3.222 -13.593 423 HD3 ARG 55 1HD ARG 55 -11.897 -4.776 -13.834 424 HE ARG 55 HE ARG 55 -14.568 -4.531 -12.644 425 HH11 ARG 55 1HH1 ARG 55 -12.339 -6.098 -14.970 426 HH12 ARG 55 2HH1 ARG 55 -13.560 -7.009 -15.706 427 HH21 ARG 55 1HH2 ARG 55 -16.191 -5.797 -13.634 428 HH22 ARG 55 2HH2 ARG 55 -15.834 -6.871 -14.910 429 H LEU 56 H LEU 56 -9.288 -1.462 -10.131 430 HA LEU 56 HA LEU 56 -11.075 -0.867 -8.063 431 HB2 LEU 56 2HB LEU 56 -8.382 -1.133 -8.311 432 HB3 LEU 56 1HB LEU 56 -8.488 0.602 -8.234 433 HG LEU 56 HG LEU 56 -7.944 -0.181 -6.070 434 HD11 LEU 56 1HD1 LEU 56 -9.800 0.504 -4.657 435 HD12 LEU 56 2HD1 LEU 56 -10.854 0.519 -6.065 436 HD13 LEU 56 3HD1 LEU 56 -9.485 1.637 -5.973 437 HD21 LEU 56 3HD2 LEU 56 -8.592 -2.490 -6.318 438 HD22 LEU 56 1HD2 LEU 56 -10.295 -2.040 -6.243 439 HD23 LEU 56 2HD2 LEU 56 -9.260 -1.813 -4.835 440 H SER 57 H SER 57 -9.326 1.241 -10.310 441 HA SER 57 HA SER 57 -10.336 3.687 -9.400 442 HB2 SER 57 2HB SER 57 -8.256 3.374 -10.751 443 HB3 SER 57 1HB SER 57 -9.263 3.026 -12.152 444 HG SER 57 HG SER 57 -10.233 5.221 -11.520 445 H ASN 58 H ASN 58 -11.594 1.358 -11.701 446 HA ASN 58 HA ASN 58 -13.522 3.004 -12.954 447 HB2 ASN 58 2HB ASN 58 -13.640 0.014 -12.456 448 HB3 ASN 58 1HB ASN 58 -14.759 0.889 -13.480 449 HD21 ASN 58 1HD2 ASN 58 -12.611 2.612 -14.606 450 HD22 ASN 58 2HD2 ASN 58 -11.703 1.599 -15.648 451 H LEU 59 H LEU 59 -13.650 1.055 -10.012 452 HA LEU 59 HA LEU 59 -16.381 1.626 -9.524 453 HB2 LEU 59 2HB LEU 59 -14.203 0.372 -7.905 454 HB3 LEU 59 1HB LEU 59 -15.688 0.852 -7.121 455 HG LEU 59 HG LEU 59 -15.756 -1.505 -7.614 456 HD11 LEU 59 1HD1 LEU 59 -17.852 -0.334 -7.748 457 HD12 LEU 59 2HD1 LEU 59 -17.807 -1.668 -8.897 458 HD13 LEU 59 3HD1 LEU 59 -17.599 -0.019 -9.466 459 HD21 LEU 59 3HD2 LEU 59 -15.712 -2.389 -9.907 460 HD22 LEU 59 1HD2 LEU 59 -14.186 -1.613 -9.480 461 HD23 LEU 59 2HD2 LEU 59 -15.342 -0.776 -10.517 462 H ALA 60 H ALA 60 -13.385 3.138 -8.651 463 HA ALA 60 HA ALA 60 -14.284 4.887 -6.637 464 HB1 ALA 60 1HB ALA 60 -12.143 5.389 -8.701 465 HB2 ALA 60 2HB ALA 60 -11.908 4.512 -7.192 466 HB3 ALA 60 3HB ALA 60 -12.317 6.231 -7.158 467 H LEU 61 H LEU 61 -14.393 5.052 -10.101 468 HA LEU 61 HA LEU 61 -15.202 7.754 -10.316 469 HB2 LEU 61 2HB LEU 61 -15.402 5.466 -12.246 470 HB3 LEU 61 1HB LEU 61 -15.806 7.124 -12.650 471 HG LEU 61 HG LEU 61 -13.075 6.128 -11.828 472 HD11 LEU 61 1HD1 LEU 61 -14.138 6.976 -14.515 473 HD12 LEU 61 2HD1 LEU 61 -13.736 5.331 -14.030 474 HD13 LEU 61 3HD1 LEU 61 -12.467 6.551 -14.150 475 HD21 LEU 61 3HD2 LEU 61 -12.327 8.374 -12.535 476 HD22 LEU 61 1HD2 LEU 61 -13.415 8.442 -11.149 477 HD23 LEU 61 2HD2 LEU 61 -14.009 8.844 -12.759 478 H VAL 62 H VAL 62 -16.940 4.842 -9.649 479 HA VAL 62 HA VAL 62 -19.376 6.293 -10.260 480 HB VAL 62 HB VAL 62 -20.658 4.183 -9.997 481 HG11 VAL 62 1HG1 VAL 62 -19.897 3.145 -12.090 482 HG12 VAL 62 2HG1 VAL 62 -18.409 4.085 -11.985 483 HG13 VAL 62 3HG1 VAL 62 -19.957 4.907 -12.192 484 HG21 VAL 62 3HG2 VAL 62 -19.443 2.021 -10.006 485 HG22 VAL 62 1HG2 VAL 62 -19.185 2.935 -8.514 486 HG23 VAL 62 2HG2 VAL 62 -17.938 2.907 -9.757 487 H LYS 63 H LYS 63 -18.020 4.466 -7.502 488 HA LYS 63 HA LYS 63 -19.394 6.297 -5.730 489 HB2 LYS 63 2HB LYS 63 -19.833 3.297 -5.543 490 HB3 LYS 63 1HB LYS 63 -20.299 4.439 -4.301 491 HG2 LYS 63 2HG LYS 63 -21.859 5.497 -5.936 492 HG3 LYS 63 1HG LYS 63 -21.440 4.234 -7.091 493 HD2 LYS 63 2HD LYS 63 -22.694 3.798 -4.377 494 HD3 LYS 63 1HD LYS 63 -23.551 3.752 -5.910 495 HE2 LYS 63 2HE LYS 63 -22.198 1.842 -6.619 496 HE3 LYS 63 1HE LYS 63 -21.306 1.903 -5.104 497 HZ1 LYS 63 3HZ LYS 63 -24.217 1.366 -5.346 498 HZ2 LYS 63 1HZ LYS 63 -23.343 1.388 -3.910 499 HZ3 LYS 63 2HZ LYS 63 -23.057 0.200 -5.080 500 HA PRO 64 HA PRO 64 -15.169 5.609 -4.309 501 HB2 PRO 64 2HB PRO 64 -15.133 7.604 -2.448 502 HB3 PRO 64 1HB PRO 64 -14.916 7.895 -4.177 503 HG2 PRO 64 2HG PRO 64 -17.356 8.234 -2.490 504 HG3 PRO 64 1HG PRO 64 -16.741 9.271 -3.787 505 HD2 PRO 64 2HD PRO 64 -18.787 7.524 -4.133 506 HD3 PRO 64 1HD PRO 64 -17.667 7.962 -5.436 507 H GLU 65 H GLU 65 -18.021 5.655 -2.431 508 HA GLU 65 HA GLU 65 -17.037 4.840 0.046 509 HB2 GLU 65 2HB GLU 65 -19.685 4.694 -1.292 510 HB3 GLU 65 1HB GLU 65 -19.440 3.740 0.156 511 HG2 GLU 65 2HG GLU 65 -20.473 5.967 0.563 512 HG3 GLU 65 1HG GLU 65 -18.988 5.694 1.458 513 H LYS 66 H LYS 66 -17.791 2.954 -2.832 514 HA LYS 66 HA LYS 66 -17.384 0.510 -1.360 515 HB2 LYS 66 2HB LYS 66 -17.467 0.705 -4.378 516 HB3 LYS 66 1HB LYS 66 -17.783 -0.702 -3.370 517 HG2 LYS 66 2HG LYS 66 -19.531 1.716 -3.755 518 HG3 LYS 66 1HG LYS 66 -19.866 0.053 -4.216 519 HD2 LYS 66 2HD LYS 66 -19.675 1.136 -1.394 520 HD3 LYS 66 1HD LYS 66 -21.150 0.718 -2.252 521 HE2 LYS 66 2HE LYS 66 -20.424 -1.619 -2.335 522 HE3 LYS 66 1HE LYS 66 -18.967 -1.198 -1.430 523 HZ1 LYS 66 3HZ LYS 66 -20.599 -2.050 0.114 524 HZ2 LYS 66 1HZ LYS 66 -21.777 -0.988 -0.486 525 HZ3 LYS 66 2HZ LYS 66 -20.465 -0.391 0.373 526 H THR 67 H THR 67 -15.535 2.698 -3.293 527 HA THR 67 HA THR 67 -13.327 1.158 -3.976 528 HB THR 67 HB THR 67 -13.317 4.041 -3.208 529 HG1 THR 67 1HG THR 67 -14.404 2.726 -5.492 530 HG21 THR 67 3HG2 THR 67 -11.924 2.516 -5.418 531 HG22 THR 67 1HG2 THR 67 -11.176 3.039 -3.909 532 HG23 THR 67 2HG2 THR 67 -11.737 4.237 -5.071 533 H LYS 68 H LYS 68 -13.866 3.392 -1.243 534 HA LYS 68 HA LYS 68 -11.413 2.941 0.005 535 HB2 LYS 68 2HB LYS 68 -12.438 3.979 2.013 536 HB3 LYS 68 1HB LYS 68 -12.685 4.894 0.533 537 HG2 LYS 68 2HG LYS 68 -14.958 3.827 0.393 538 HG3 LYS 68 1HG LYS 68 -14.682 3.212 2.018 539 HD2 LYS 68 2HD LYS 68 -15.970 5.277 2.108 540 HD3 LYS 68 1HD LYS 68 -14.365 5.499 2.817 541 HE2 LYS 68 2HE LYS 68 -13.575 6.661 0.888 542 HE3 LYS 68 1HE LYS 68 -15.010 6.227 -0.038 543 HZ1 LYS 68 3HZ LYS 68 -15.082 7.936 2.380 544 HZ2 LYS 68 1HZ LYS 68 -16.321 7.670 1.266 545 HZ3 LYS 68 2HZ LYS 68 -14.942 8.555 0.831 546 H ALA 69 H ALA 69 -14.362 1.184 0.150 547 HA ALA 69 HA ALA 69 -13.731 -0.392 2.409 548 HB1 ALA 69 1HB ALA 69 -16.034 -0.134 1.578 549 HB2 ALA 69 2HB ALA 69 -15.557 -1.822 1.722 550 HB3 ALA 69 3HB ALA 69 -15.600 -1.050 0.132 551 H VAL 70 H VAL 70 -13.437 -1.035 -1.144 552 HA VAL 70 HA VAL 70 -12.114 -3.477 -0.663 553 HB VAL 70 HB VAL 70 -11.393 -3.495 -3.038 554 HG11 VAL 70 1HG1 VAL 70 -14.264 -2.696 -2.702 555 HG12 VAL 70 2HG1 VAL 70 -13.606 -4.307 -2.437 556 HG13 VAL 70 3HG1 VAL 70 -13.591 -3.604 -4.055 557 HG21 VAL 70 3HG2 VAL 70 -10.989 -1.119 -3.374 558 HG22 VAL 70 1HG2 VAL 70 -12.712 -0.794 -3.203 559 HG23 VAL 70 2HG2 VAL 70 -12.127 -1.733 -4.578 560 H GLU 71 H GLU 71 -10.861 -0.225 -1.127 561 HA GLU 71 HA GLU 71 -8.139 -0.720 -1.270 562 HB2 GLU 71 2HB GLU 71 -9.663 1.500 0.106 563 HB3 GLU 71 1HB GLU 71 -7.906 1.505 -0.037 564 HG2 GLU 71 2HG GLU 71 -8.132 1.606 -2.456 565 HG3 GLU 71 1HG GLU 71 -9.886 1.489 -2.308 566 H ASN 72 H ASN 72 -10.129 -0.302 1.679 567 HA ASN 72 HA ASN 72 -8.145 -0.704 3.550 568 HB2 ASN 72 2HB ASN 72 -10.436 0.285 3.830 569 HB3 ASN 72 1HB ASN 72 -11.083 -1.343 3.750 570 HD21 ASN 72 1HD2 ASN 72 -11.178 0.689 5.839 571 HD22 ASN 72 2HD2 ASN 72 -10.518 -0.089 7.228 572 H TYR 73 H TYR 73 -10.340 -2.959 1.924 573 HA TYR 73 HA TYR 73 -9.730 -5.195 3.519 574 HB2 TYR 73 2HB TYR 73 -11.762 -4.956 2.030 575 HB3 TYR 73 1HB TYR 73 -10.712 -5.294 0.660 576 HD1 TYR 73 2HD TYR 73 -12.319 -6.701 3.631 577 HD2 TYR 73 1HD TYR 73 -9.849 -7.551 0.276 578 HE1 TYR 73 2HE TYR 73 -12.638 -9.106 4.010 579 HE2 TYR 73 1HE TYR 73 -10.155 -9.955 0.653 580 HH TYR 73 HH TYR 73 -10.703 -11.424 2.522 581 H LEU 74 H LEU 74 -8.282 -3.992 0.528 582 HA LEU 74 HA LEU 74 -6.589 -6.227 0.195 583 HB2 LEU 74 2HB LEU 74 -6.427 -3.453 -0.932 584 HB3 LEU 74 1HB LEU 74 -5.066 -4.552 -1.059 585 HG LEU 74 HG LEU 74 -6.308 -4.574 -3.114 586 HD11 LEU 74 1HD1 LEU 74 -6.760 -6.931 -3.357 587 HD12 LEU 74 2HD1 LEU 74 -6.767 -7.128 -1.609 588 HD13 LEU 74 3HD1 LEU 74 -5.283 -6.642 -2.438 589 HD21 LEU 74 3HD2 LEU 74 -8.506 -3.901 -2.327 590 HD22 LEU 74 1HD2 LEU 74 -8.698 -5.446 -1.504 591 HD23 LEU 74 2HD2 LEU 74 -8.612 -5.392 -3.264 592 H ILE 75 H ILE 75 -6.189 -3.289 2.029 593 HA ILE 75 HA ILE 75 -3.508 -3.523 2.827 594 HB ILE 75 HB ILE 75 -5.825 -2.752 4.631 595 HG12 ILE 75 2HG1 ILE 75 -4.153 -0.925 2.892 596 HG13 ILE 75 1HG1 ILE 75 -5.800 -1.429 2.523 597 HG21 ILE 75 1HG2 ILE 75 -4.163 -1.431 5.864 598 HG22 ILE 75 2HG2 ILE 75 -2.899 -2.031 4.791 599 HG23 ILE 75 3HG2 ILE 75 -3.760 -3.149 5.846 600 HD11 ILE 75 3HD1 ILE 75 -5.858 0.765 3.485 601 HD12 ILE 75 1HD1 ILE 75 -4.898 0.223 4.866 602 HD13 ILE 75 2HD1 ILE 75 -6.524 -0.382 4.653 603 H GLN 76 H GLN 76 -6.469 -4.831 4.185 604 HA GLN 76 HA GLN 76 -5.383 -6.330 6.286 605 HB2 GLN 76 2HB GLN 76 -7.933 -6.780 4.751 606 HB3 GLN 76 1HB GLN 76 -7.539 -7.506 6.303 607 HG2 GLN 76 2HG GLN 76 -7.494 -5.340 7.347 608 HG3 GLN 76 1HG GLN 76 -7.779 -4.557 5.792 609 HE21 GLN 76 1HE2 GLN 76 -9.158 -6.413 8.354 610 HE22 GLN 76 2HE2 GLN 76 -10.802 -6.199 7.875 611 H MET 77 H MET 77 -6.215 -7.232 2.987 612 HA MET 77 HA MET 77 -5.648 -9.970 3.119 613 HB2 MET 77 2HB MET 77 -6.808 -8.840 1.236 614 HB3 MET 77 1HB MET 77 -5.283 -8.108 0.764 615 HG2 MET 77 2HG MET 77 -5.779 -9.978 -0.673 616 HG3 MET 77 1HG MET 77 -4.367 -10.338 0.315 617 HE1 MET 77 3HE MET 77 -4.645 -12.918 -0.392 618 HE2 MET 77 1HE MET 77 -6.081 -12.501 -1.331 619 HE3 MET 77 2HE MET 77 -6.139 -13.826 -0.168 620 H ALA 78 H ALA 78 -3.544 -7.243 2.248 621 HA ALA 78 HA ALA 78 -1.165 -8.723 1.854 622 HB1 ALA 78 1HB ALA 78 -1.435 -5.856 2.761 623 HB2 ALA 78 2HB ALA 78 -1.548 -6.389 1.094 624 HB3 ALA 78 3HB ALA 78 -0.030 -6.586 1.979 625 H ARG 79 H ARG 79 -2.622 -7.243 4.627 626 HA ARG 79 HA ARG 79 -0.519 -7.518 6.462 627 HB2 ARG 79 2HB ARG 79 -2.459 -6.016 6.725 628 HB3 ARG 79 1HB ARG 79 -3.495 -7.412 6.931 629 HG2 ARG 79 2HG ARG 79 -2.421 -7.938 9.031 630 HG3 ARG 79 1HG ARG 79 -1.272 -6.613 8.799 631 HD2 ARG 79 2HD ARG 79 -3.131 -5.011 8.758 632 HD3 ARG 79 1HD ARG 79 -4.269 -6.327 9.017 633 HE ARG 79 HE ARG 79 -2.707 -6.600 11.126 634 HH11 ARG 79 1HH1 ARG 79 -4.119 -3.607 9.764 635 HH12 ARG 79 2HH1 ARG 79 -4.226 -2.840 11.277 636 HH21 ARG 79 1HH2 ARG 79 -2.946 -5.494 13.200 637 HH22 ARG 79 2HH2 ARG 79 -3.554 -3.911 13.235 638 H TYR 80 H TYR 80 -3.219 -9.663 5.619 639 HA TYR 80 HA TYR 80 -2.553 -11.621 7.597 640 HB2 TYR 80 2HB TYR 80 -4.193 -12.013 5.077 641 HB3 TYR 80 1HB TYR 80 -4.137 -13.110 6.447 642 HD1 TYR 80 2HD TYR 80 -4.358 -11.082 8.686 643 HD2 TYR 80 1HD TYR 80 -6.447 -11.428 4.991 644 HE1 TYR 80 2HE TYR 80 -6.267 -9.877 9.653 645 HE2 TYR 80 1HE TYR 80 -8.354 -10.219 5.950 646 HH TYR 80 HH TYR 80 -9.283 -9.789 8.142 647 H GLY 81 H GLY 81 -1.574 -11.008 4.335 648 HA2 GLY 81 2HA GLY 81 0.312 -11.797 3.238 649 HA3 GLY 81 1HA GLY 81 0.650 -12.804 4.643 650 H GLN 82 H GLN 82 -2.326 -12.763 2.847 651 HA GLN 82 HA GLN 82 -2.031 -15.619 2.348 652 HB2 GLN 82 2HB GLN 82 -4.422 -13.791 2.134 653 HB3 GLN 82 1HB GLN 82 -4.456 -15.519 1.804 654 HG2 GLN 82 2HG GLN 82 -3.667 -14.297 4.422 655 HG3 GLN 82 1HG GLN 82 -5.288 -14.899 4.061 656 HE21 GLN 82 1HE2 GLN 82 -3.358 -15.747 6.102 657 HE22 GLN 82 2HE2 GLN 82 -3.108 -17.427 5.832 658 H LEU 83 H LEU 83 -0.763 -13.358 0.798 659 HA LEU 83 HA LEU 83 -2.006 -13.651 -1.796 660 HB2 LEU 83 2HB LEU 83 0.350 -12.011 -0.902 661 HB3 LEU 83 1HB LEU 83 -0.038 -12.229 -2.590 662 HG LEU 83 HG LEU 83 -0.858 -10.136 -1.970 663 HD11 LEU 83 1HD1 LEU 83 -3.166 -12.053 -2.039 664 HD12 LEU 83 2HD1 LEU 83 -2.326 -11.357 -3.420 665 HD13 LEU 83 3HD1 LEU 83 -3.266 -10.325 -2.344 666 HD21 LEU 83 3HD2 LEU 83 -2.375 -9.723 -0.114 667 HD22 LEU 83 1HD2 LEU 83 -0.857 -10.412 0.454 668 HD23 LEU 83 2HD2 LEU 83 -2.296 -11.429 0.346 669 H SER 84 H SER 84 -1.607 -15.167 -3.055 670 HA SER 84 HA SER 84 0.909 -16.650 -2.885 671 HB2 SER 84 2HB SER 84 -1.590 -17.220 -4.502 672 HB3 SER 84 1HB SER 84 -0.274 -18.341 -4.141 673 HG SER 84 HG SER 84 -0.991 -17.563 -1.837 674 H GLU 85 H GLU 85 -0.961 -14.425 -4.704 675 HA GLU 85 HA GLU 85 1.027 -13.981 -6.751 676 HB2 GLU 85 2HB GLU 85 -1.788 -14.928 -7.267 677 HB3 GLU 85 1HB GLU 85 -0.814 -14.120 -8.479 678 HG2 GLU 85 2HG GLU 85 0.776 -15.942 -8.435 679 HG3 GLU 85 1HG GLU 85 -0.116 -16.708 -7.121 680 H LYS 86 H LYS 86 -0.448 -12.264 -8.326 681 HA LYS 86 HA LYS 86 -1.205 -10.153 -6.579 682 HB2 LYS 86 2HB LYS 86 -1.561 -10.479 -9.557 683 HB3 LYS 86 1HB LYS 86 -1.975 -9.047 -8.653 684 HG2 LYS 86 2HG LYS 86 0.023 -8.472 -9.610 685 HG3 LYS 86 1HG LYS 86 0.546 -9.042 -8.029 686 HD2 LYS 86 2HD LYS 86 1.184 -11.159 -8.959 687 HD3 LYS 86 1HD LYS 86 0.507 -10.722 -10.528 688 HE2 LYS 86 2HE LYS 86 2.837 -9.401 -9.144 689 HE3 LYS 86 1HE LYS 86 2.915 -10.460 -10.547 690 HZ1 LYS 86 3HZ LYS 86 3.062 -8.181 -11.269 691 HZ2 LYS 86 1HZ LYS 86 1.656 -7.753 -10.462 692 HZ3 LYS 86 2HZ LYS 86 1.598 -8.790 -11.783 693 H VAL 87 H VAL 87 -3.280 -9.313 -6.456 694 HA VAL 87 HA VAL 87 -5.433 -11.194 -6.734 695 HB VAL 87 HB VAL 87 -5.458 -8.253 -5.946 696 HG11 VAL 87 1HG1 VAL 87 -7.629 -8.987 -6.803 697 HG12 VAL 87 2HG1 VAL 87 -7.706 -8.695 -5.066 698 HG13 VAL 87 3HG1 VAL 87 -7.620 -10.347 -5.679 699 HG21 VAL 87 3HG2 VAL 87 -5.571 -10.725 -4.226 700 HG22 VAL 87 1HG2 VAL 87 -5.742 -9.066 -3.652 701 HG23 VAL 87 2HG2 VAL 87 -4.216 -9.604 -4.356 702 H SER 88 H SER 88 -6.297 -11.501 -8.642 703 HA SER 88 HA SER 88 -5.889 -9.722 -10.822 704 HB2 SER 88 2HB SER 88 -7.217 -11.547 -11.963 705 HB3 SER 88 1HB SER 88 -5.736 -12.078 -11.171 706 HG SER 88 HG SER 88 -7.264 -13.482 -10.507 707 H GLU 89 H GLU 89 -8.120 -9.561 -12.240 708 HA GLU 89 HA GLU 89 -9.712 -7.723 -10.822 709 HB2 GLU 89 2HB GLU 89 -10.215 -9.098 -13.453 710 HB3 GLU 89 1HB GLU 89 -11.183 -7.771 -12.789 711 HG2 GLU 89 2HG GLU 89 -9.240 -6.341 -12.928 712 HG3 GLU 89 1HG GLU 89 -8.306 -7.694 -13.585 713 H GLN 90 H GLN 90 -10.251 -11.066 -11.848 714 HA GLN 90 HA GLN 90 -12.881 -11.291 -10.873 715 HB2 GLN 90 2HB GLN 90 -10.780 -13.444 -11.161 716 HB3 GLN 90 1HB GLN 90 -12.477 -13.751 -10.831 717 HG2 GLN 90 2HG GLN 90 -11.417 -12.402 -13.310 718 HG3 GLN 90 1HG GLN 90 -11.839 -14.103 -13.192 719 HE21 GLN 90 1HE2 GLN 90 -13.406 -14.023 -14.719 720 HE22 GLN 90 2HE2 GLN 90 -14.898 -13.177 -14.560 721 H GLY 91 H GLY 91 -9.783 -11.681 -9.289 722 HA2 GLY 91 2HA GLY 91 -10.796 -12.647 -6.815 723 HA3 GLY 91 1HA GLY 91 -9.225 -11.886 -7.064 724 H LEU 92 H LEU 92 -10.042 -9.443 -8.067 725 HA LEU 92 HA LEU 92 -10.642 -8.020 -5.719 726 HB2 LEU 92 2HB LEU 92 -9.324 -7.072 -7.540 727 HB3 LEU 92 1HB LEU 92 -10.720 -7.126 -8.597 728 HG LEU 92 HG LEU 92 -11.860 -5.502 -7.109 729 HD11 LEU 92 1HD1 LEU 92 -10.529 -4.255 -5.480 730 HD12 LEU 92 2HD1 LEU 92 -9.186 -5.370 -5.728 731 HD13 LEU 92 3HD1 LEU 92 -10.703 -5.951 -5.039 732 HD21 LEU 92 3HD2 LEU 92 -10.565 -3.566 -7.843 733 HD22 LEU 92 1HD2 LEU 92 -10.701 -4.774 -9.116 734 HD23 LEU 92 2HD2 LEU 92 -9.197 -4.616 -8.207 735 H ILE 93 H ILE 93 -12.582 -8.997 -8.474 736 HA ILE 93 HA ILE 93 -14.931 -7.631 -7.757 737 HB ILE 93 HB ILE 93 -14.555 -10.149 -9.426 738 HG12 ILE 93 2HG1 ILE 93 -15.119 -7.297 -10.264 739 HG13 ILE 93 1HG1 ILE 93 -13.517 -8.017 -10.222 740 HG21 ILE 93 1HG2 ILE 93 -16.855 -10.096 -8.564 741 HG22 ILE 93 2HG2 ILE 93 -16.824 -9.776 -10.297 742 HG23 ILE 93 3HG2 ILE 93 -17.046 -8.446 -9.159 743 HD11 ILE 93 3HD1 ILE 93 -15.813 -8.946 -11.920 744 HD12 ILE 93 1HD1 ILE 93 -14.189 -9.622 -11.917 745 HD13 ILE 93 2HD1 ILE 93 -14.450 -7.968 -12.475 746 H GLU 94 H GLU 94 -13.660 -10.762 -6.794 747 HA GLU 94 HA GLU 94 -15.907 -11.635 -5.325 748 HB2 GLU 94 2HB GLU 94 -14.009 -13.106 -5.878 749 HB3 GLU 94 1HB GLU 94 -12.964 -12.158 -4.833 750 HG2 GLU 94 2HG GLU 94 -14.313 -12.813 -2.904 751 HG3 GLU 94 1HG GLU 94 -15.339 -13.783 -3.960 752 H ILE 95 H ILE 95 -13.085 -9.732 -4.449 753 HA ILE 95 HA ILE 95 -13.722 -9.227 -1.752 754 HB ILE 95 HB ILE 95 -12.093 -7.572 -3.713 755 HG12 ILE 95 2HG1 ILE 95 -11.207 -9.514 -1.566 756 HG13 ILE 95 1HG1 ILE 95 -11.272 -9.877 -3.286 757 HG21 ILE 95 1HG2 ILE 95 -12.845 -6.166 -1.879 758 HG22 ILE 95 2HG2 ILE 95 -11.107 -6.457 -1.786 759 HG23 ILE 95 3HG2 ILE 95 -12.204 -7.326 -0.717 760 HD11 ILE 95 3HD1 ILE 95 -9.522 -7.806 -1.973 761 HD12 ILE 95 1HD1 ILE 95 -9.577 -8.162 -3.699 762 HD13 ILE 95 2HD1 ILE 95 -9.008 -9.386 -2.564 763 H LEU 96 H LEU 96 -14.486 -7.518 -4.713 764 HA LEU 96 HA LEU 96 -15.788 -5.309 -3.622 765 HB2 LEU 96 2HB LEU 96 -15.054 -5.513 -5.976 766 HB3 LEU 96 1HB LEU 96 -16.332 -6.675 -6.252 767 HG LEU 96 HG LEU 96 -17.996 -4.901 -5.715 768 HD11 LEU 96 1HD1 LEU 96 -17.258 -2.560 -5.723 769 HD12 LEU 96 2HD1 LEU 96 -15.577 -3.100 -5.738 770 HD13 LEU 96 3HD1 LEU 96 -16.595 -3.444 -4.349 771 HD21 LEU 96 3HD2 LEU 96 -17.426 -5.447 -8.023 772 HD22 LEU 96 1HD2 LEU 96 -16.091 -4.294 -7.977 773 HD23 LEU 96 2HD2 LEU 96 -17.757 -3.726 -7.848 774 H LYS 97 H LYS 97 -17.007 -8.479 -4.594 775 HA LYS 97 HA LYS 97 -19.737 -8.012 -4.097 776 HB2 LYS 97 2HB LYS 97 -18.128 -10.562 -4.083 777 HB3 LYS 97 1HB LYS 97 -19.874 -10.526 -3.866 778 HG2 LYS 97 2HG LYS 97 -18.495 -9.351 -6.268 779 HG3 LYS 97 1HG LYS 97 -19.040 -11.020 -6.205 780 HD2 LYS 97 2HD LYS 97 -20.938 -8.755 -5.632 781 HD3 LYS 97 1HD LYS 97 -20.575 -9.224 -7.288 782 HE2 LYS 97 2HE LYS 97 -22.631 -10.292 -6.509 783 HE3 LYS 97 1HE LYS 97 -21.393 -11.495 -6.823 784 HZ1 LYS 97 3HZ LYS 97 -21.027 -11.689 -4.441 785 HZ2 LYS 97 1HZ LYS 97 -22.635 -11.942 -4.822 786 HZ3 LYS 97 2HZ LYS 97 -22.207 -10.492 -4.131 787 H LYS 98 H LYS 98 -17.147 -8.899 -2.005 788 HA LYS 98 HA LYS 98 -18.635 -9.610 0.298 789 HB2 LYS 98 2HB LYS 98 -15.862 -8.506 -0.046 790 HB3 LYS 98 1HB LYS 98 -16.490 -9.036 1.494 791 HG2 LYS 98 2HG LYS 98 -16.713 -11.301 0.617 792 HG3 LYS 98 1HG LYS 98 -16.144 -10.749 -0.958 793 HD2 LYS 98 2HD LYS 98 -13.991 -10.105 0.059 794 HD3 LYS 98 1HD LYS 98 -14.576 -10.673 1.622 795 HE2 LYS 98 2HE LYS 98 -14.822 -12.910 0.754 796 HE3 LYS 98 1HE LYS 98 -14.334 -12.336 -0.845 797 HZ1 LYS 98 3HZ LYS 98 -12.578 -13.490 0.505 798 HZ2 LYS 98 1HZ LYS 98 -12.516 -12.156 1.520 799 HZ3 LYS 98 2HZ LYS 98 -12.123 -12.025 -0.121 800 H VAL 99 H VAL 99 -16.952 -6.639 -0.570 801 HA VAL 99 HA VAL 99 -17.972 -5.250 1.702 802 HB VAL 99 HB VAL 99 -16.741 -3.340 0.938 803 HG11 VAL 99 1HG1 VAL 99 -15.433 -5.085 1.986 804 HG12 VAL 99 2HG1 VAL 99 -14.472 -4.334 0.703 805 HG13 VAL 99 3HG1 VAL 99 -15.232 -5.901 0.441 806 HG21 VAL 99 3HG2 VAL 99 -15.568 -3.298 -1.219 807 HG22 VAL 99 1HG2 VAL 99 -17.316 -3.397 -1.437 808 HG23 VAL 99 2HG2 VAL 99 -16.321 -4.836 -1.649 809 H SER 100 H SER 100 -19.063 -5.746 -1.470 810 HA SER 100 HA SER 100 -20.675 -3.629 -2.014 811 HB2 SER 100 2HB SER 100 -20.355 -5.409 -3.602 812 HB3 SER 100 1HB SER 100 -21.093 -6.576 -2.517 813 HG SER 100 HG SER 100 -22.316 -4.477 -3.965 814 H GLN 101 H GLN 101 -21.559 -6.531 -0.112 815 HA GLN 101 HA GLN 101 -23.995 -5.135 0.588 816 HB2 GLN 101 2HB GLN 101 -24.792 -7.202 1.616 817 HB3 GLN 101 1HB GLN 101 -24.322 -7.445 -0.059 818 HG2 GLN 101 2HG GLN 101 -22.284 -8.525 0.645 819 HG3 GLN 101 1HG GLN 101 -22.639 -8.172 2.331 820 HE21 GLN 101 1HE2 GLN 101 -25.026 -9.246 -0.049 821 HE22 GLN 101 2HE2 GLN 101 -25.312 -10.763 0.697 822 H GLN 102 H GLN 102 -21.227 -6.520 2.293 823 HA GLN 102 HA GLN 102 -21.973 -4.749 4.498 824 HB2 GLN 102 2HB GLN 102 -21.032 -7.607 4.860 825 HB3 GLN 102 1HB GLN 102 -21.298 -6.449 6.151 826 HG2 GLN 102 2HG GLN 102 -23.681 -6.490 5.658 827 HG3 GLN 102 1HG GLN 102 -23.392 -7.613 4.327 828 HE21 GLN 102 1HE2 GLN 102 -25.001 -8.094 6.672 829 HE22 GLN 102 2HE2 GLN 102 -24.286 -9.450 7.468 830 H THR 103 H THR 103 -19.389 -7.124 4.346 831 HA THR 103 HA THR 103 -17.335 -5.259 3.682 832 HB THR 103 HB THR 103 -17.400 -6.464 6.478 833 HG1 THR 103 1HG THR 103 -18.330 -4.122 5.486 834 HG21 THR 103 3HG2 THR 103 -15.393 -4.604 5.179 835 HG22 THR 103 1HG2 THR 103 -15.130 -6.312 5.537 836 HG23 THR 103 2HG2 THR 103 -15.346 -5.157 6.852 837 H GLU 104 H GLU 104 -18.185 -8.352 5.176 838 HA GLU 104 HA GLU 104 -16.463 -9.639 3.226 839 HB2 GLU 104 2HB GLU 104 -15.760 -11.285 4.892 840 HB3 GLU 104 1HB GLU 104 -15.211 -9.662 5.278 841 HG2 GLU 104 2HG GLU 104 -16.855 -9.450 6.992 842 HG3 GLU 104 1HG GLU 104 -17.618 -10.967 6.517 843 H LYS 105 H LYS 105 -16.938 -12.070 3.331 844 HA LYS 105 HA LYS 105 -19.846 -12.472 3.535 845 HB2 LYS 105 2HB LYS 105 -17.869 -13.621 1.547 846 HB3 LYS 105 1HB LYS 105 -19.468 -14.287 1.767 847 HG2 LYS 105 2HG LYS 105 -18.846 -11.479 0.878 848 HG3 LYS 105 1HG LYS 105 -19.276 -12.805 -0.200 849 HD2 LYS 105 2HD LYS 105 -21.025 -11.632 1.976 850 HD3 LYS 105 1HD LYS 105 -21.203 -11.361 0.248 851 HE2 LYS 105 2HE LYS 105 -21.674 -13.741 -0.096 852 HE3 LYS 105 1HE LYS 105 -21.440 -14.047 1.622 853 HZ1 LYS 105 3HZ LYS 105 -23.761 -13.874 1.190 854 HZ2 LYS 105 1HZ LYS 105 -23.574 -12.410 0.391 855 HZ3 LYS 105 2HZ LYS 105 -23.302 -12.509 2.042 856 H THR 106 H THR 106 -17.054 -14.557 3.021 857 HA THR 106 HA THR 106 -16.774 -15.602 5.519 858 HB THR 106 HB THR 106 -19.026 -16.637 5.083 859 HG1 THR 106 1HG THR 106 -17.691 -18.944 4.755 860 HG21 THR 106 3HG2 THR 106 -18.984 -16.651 2.631 861 HG22 THR 106 1HG2 THR 106 -19.314 -18.270 3.249 862 HG23 THR 106 2HG2 THR 106 -17.706 -17.866 2.651 863 H THR 107 H THR 107 -15.516 -17.882 4.862 864 HA THR 107 HA THR 107 -14.251 -17.592 2.314 865 HB THR 107 HB THR 107 -12.972 -16.060 3.895 866 HG1 THR 107 1HG THR 107 -11.053 -17.934 3.355 867 HG21 THR 107 3HG2 THR 107 -12.219 -18.675 5.214 868 HG22 THR 107 1HG2 THR 107 -13.166 -17.385 5.947 869 HG23 THR 107 2HG2 THR 107 -11.466 -17.119 5.549 870 H THR 108 H THR 108 -13.130 -19.530 1.771 871 HA THR 108 HA THR 108 -14.235 -21.798 3.120 872 HB THR 108 HB THR 108 -14.247 -21.869 0.708 873 HG1 THR 108 1HG THR 108 -13.894 -23.890 0.813 874 HG21 THR 108 3HG2 THR 108 -11.228 -21.674 0.836 875 HG22 THR 108 1HG2 THR 108 -12.321 -20.437 0.210 876 HG23 THR 108 2HG2 THR 108 -12.168 -21.981 -0.627 877 H VAL 109 H VAL 109 -13.205 -23.224 4.339 878 HA VAL 109 HA VAL 109 -10.326 -22.905 4.686 879 HB VAL 109 HB VAL 109 -11.652 -22.000 6.634 880 HG11 VAL 109 1HG1 VAL 109 -13.542 -23.431 6.660 881 HG12 VAL 109 2HG1 VAL 109 -12.720 -23.527 8.217 882 HG13 VAL 109 3HG1 VAL 109 -12.539 -24.830 7.042 883 HG21 VAL 109 3HG2 VAL 109 -9.387 -22.678 7.039 884 HG22 VAL 109 1HG2 VAL 109 -9.888 -24.360 7.233 885 HG23 VAL 109 2HG2 VAL 109 -10.383 -23.153 8.417 886 H LYS 110 H LYS 110 -12.095 -24.522 3.001 887 HA LYS 110 HA LYS 110 -12.235 -27.191 3.837 888 HB2 LYS 110 2HB LYS 110 -13.474 -26.295 1.910 889 HB3 LYS 110 1HB LYS 110 -11.967 -26.088 1.036 890 HG2 LYS 110 2HG LYS 110 -11.618 -28.540 1.145 891 HG3 LYS 110 1HG LYS 110 -13.200 -28.690 1.912 892 HD2 LYS 110 2HD LYS 110 -14.258 -27.707 -0.049 893 HD3 LYS 110 1HD LYS 110 -12.679 -27.516 -0.816 894 HE2 LYS 110 2HE LYS 110 -12.372 -29.958 -0.700 895 HE3 LYS 110 1HE LYS 110 -13.985 -30.108 -0.014 896 HZ1 LYS 110 3HZ LYS 110 -13.982 -30.537 -2.376 897 HZ2 LYS 110 1HZ LYS 110 -13.351 -29.012 -2.700 898 HZ3 LYS 110 2HZ LYS 110 -14.890 -29.157 -2.043 899 H PHE 111 H PHE 111 -9.717 -25.386 2.154 900 HA PHE 111 HA PHE 111 -7.810 -27.364 2.960 901 HB2 PHE 111 2HB PHE 111 -6.818 -27.543 0.664 902 HB3 PHE 111 1HB PHE 111 -8.408 -28.263 0.819 903 HD1 PHE 111 1HD PHE 111 -10.313 -27.334 -0.356 904 HD2 PHE 111 2HD PHE 111 -6.455 -25.572 -0.713 905 HE1 PHE 111 1HE PHE 111 -11.071 -26.084 -2.336 906 HE2 PHE 111 2HE PHE 111 -7.210 -24.316 -2.687 907 HZ PHE 111 HZ PHE 111 -9.519 -24.572 -3.500 908 H ASN 112 H ASN 112 -5.811 -26.568 3.280 909 HA ASN 112 HA ASN 112 -5.160 -23.843 2.477 910 HB2 ASN 112 2HB ASN 112 -5.105 -24.844 5.342 911 HB3 ASN 112 1HB ASN 112 -4.150 -23.475 4.796 912 HD21 ASN 112 1HD2 ASN 112 -7.294 -24.655 5.548 913 HD22 ASN 112 2HD2 ASN 112 -8.088 -23.122 5.569 Start of MODEL 15 1 H1 GLY 0 1HT GLY 0 9.096 -12.684 32.947 2 H2 GLY 0 2HT GLY 0 10.763 -12.463 33.066 3 H3 GLY 0 3HT GLY 0 10.143 -13.906 32.456 4 HA2 GLY 0 1HA GLY 0 9.857 -11.245 31.215 5 HA3 GLY 0 2HA GLY 0 10.988 -12.488 30.701 6 H SER 1 H SER 1 9.986 -14.616 30.101 7 HA SER 1 HA SER 1 8.248 -14.268 28.010 8 HB2 SER 1 2HB SER 1 8.880 -16.813 29.497 9 HB3 SER 1 1HB SER 1 8.287 -16.686 27.838 10 HG SER 1 HG SER 1 10.231 -16.252 27.184 11 H ALA 2 H ALA 2 7.492 -14.998 31.361 12 HA ALA 2 HA ALA 2 4.864 -15.940 30.912 13 HB1 ALA 2 1HB ALA 2 5.967 -14.596 33.378 14 HB2 ALA 2 2HB ALA 2 6.016 -16.328 33.037 15 HB3 ALA 2 3HB ALA 2 4.470 -15.519 33.287 16 H ASP 3 H ASP 3 6.171 -12.726 31.478 17 HA ASP 3 HA ASP 3 3.617 -11.428 31.489 18 HB2 ASP 3 2HB ASP 3 5.537 -10.372 32.596 19 HB3 ASP 3 1HB ASP 3 6.395 -10.278 31.064 20 H GLU 4 H GLU 4 5.940 -12.319 29.106 21 HA GLU 4 HA GLU 4 4.963 -10.846 26.920 22 HB2 GLU 4 2HB GLU 4 7.122 -11.997 26.884 23 HB3 GLU 4 1HB GLU 4 6.299 -13.549 26.962 24 HG2 GLU 4 2HG GLU 4 5.206 -13.013 24.810 25 HG3 GLU 4 1HG GLU 4 6.191 -11.554 24.724 26 H GLU 5 H GLU 5 4.280 -14.171 28.005 27 HA GLU 5 HA GLU 5 2.278 -14.813 26.147 28 HB2 GLU 5 2HB GLU 5 2.462 -15.663 29.038 29 HB3 GLU 5 1HB GLU 5 1.508 -16.463 27.796 30 HG2 GLU 5 2HG GLU 5 3.516 -17.098 26.627 31 HG3 GLU 5 1HG GLU 5 4.502 -16.195 27.776 32 H LEU 6 H LEU 6 2.206 -13.150 29.190 33 HA LEU 6 HA LEU 6 -0.567 -12.938 29.499 34 HB2 LEU 6 2HB LEU 6 1.246 -12.563 31.241 35 HB3 LEU 6 1HB LEU 6 1.524 -11.002 30.519 36 HG LEU 6 HG LEU 6 0.233 -10.894 32.612 37 HD11 LEU 6 1HD1 LEU 6 -0.081 -9.091 31.052 38 HD12 LEU 6 2HD1 LEU 6 -1.598 -9.454 31.876 39 HD13 LEU 6 3HD1 LEU 6 -1.340 -9.998 30.218 40 HD21 LEU 6 3HD2 LEU 6 -0.942 -13.002 32.475 41 HD22 LEU 6 1HD2 LEU 6 -1.882 -12.417 31.102 42 HD23 LEU 6 2HD2 LEU 6 -2.083 -11.678 32.691 43 H GLU 7 H GLU 7 1.819 -10.727 27.956 44 HA GLU 7 HA GLU 7 -0.167 -8.823 27.343 45 HB2 GLU 7 2HB GLU 7 1.399 -7.646 25.955 46 HB3 GLU 7 1HB GLU 7 2.286 -8.231 27.351 47 HG2 GLU 7 2HG GLU 7 3.345 -9.909 26.074 48 HG3 GLU 7 1HG GLU 7 2.246 -9.671 24.726 49 H ALA 8 H ALA 8 1.107 -11.591 25.663 50 HA ALA 8 HA ALA 8 -0.039 -11.168 23.148 51 HB1 ALA 8 1HB ALA 8 0.445 -13.786 24.572 52 HB2 ALA 8 2HB ALA 8 1.619 -12.917 23.582 53 HB3 ALA 8 3HB ALA 8 0.172 -13.600 22.840 54 H LEU 9 H LEU 9 -1.296 -12.978 25.939 55 HA LEU 9 HA LEU 9 -3.839 -13.586 25.020 56 HB2 LEU 9 2HB LEU 9 -2.948 -12.820 27.802 57 HB3 LEU 9 1HB LEU 9 -4.452 -13.619 27.415 58 HG LEU 9 HG LEU 9 -1.719 -14.816 26.956 59 HD11 LEU 9 1HD1 LEU 9 -2.158 -14.519 29.331 60 HD12 LEU 9 2HD1 LEU 9 -2.230 -16.223 28.885 61 HD13 LEU 9 3HD1 LEU 9 -3.718 -15.316 29.149 62 HD21 LEU 9 3HD2 LEU 9 -2.963 -16.904 26.660 63 HD22 LEU 9 1HD2 LEU 9 -3.432 -15.701 25.458 64 HD23 LEU 9 2HD2 LEU 9 -4.480 -16.024 26.840 65 H ARG 10 H ARG 10 -2.678 -10.779 26.775 66 HA ARG 10 HA ARG 10 -5.026 -9.280 27.039 67 HB2 ARG 10 2HB ARG 10 -3.093 -8.796 28.330 68 HB3 ARG 10 1HB ARG 10 -2.120 -8.594 26.896 69 HG2 ARG 10 2HG ARG 10 -3.190 -6.478 26.427 70 HG3 ARG 10 1HG ARG 10 -4.279 -6.703 27.811 71 HD2 ARG 10 2HD ARG 10 -2.493 -6.651 29.350 72 HD3 ARG 10 1HD ARG 10 -1.289 -6.793 28.083 73 HE ARG 10 HE ARG 10 -2.368 -4.485 27.452 74 HH11 ARG 10 1HH1 ARG 10 -1.647 -5.674 30.705 75 HH12 ARG 10 2HH1 ARG 10 -0.971 -4.226 31.265 76 HH21 ARG 10 1HH2 ARG 10 -1.408 -2.452 28.230 77 HH22 ARG 10 2HH2 ARG 10 -0.791 -2.371 29.820 78 H ARG 11 H ARG 11 -2.541 -9.093 24.541 79 HA ARG 11 HA ARG 11 -3.722 -7.066 23.002 80 HB2 ARG 11 2HB ARG 11 -1.671 -9.169 22.379 81 HB3 ARG 11 1HB ARG 11 -2.159 -7.953 21.207 82 HG2 ARG 11 2HG ARG 11 -1.288 -6.198 22.507 83 HG3 ARG 11 1HG ARG 11 -1.186 -7.220 23.936 84 HD2 ARG 11 2HD ARG 11 1.009 -6.773 22.884 85 HD3 ARG 11 1HD ARG 11 0.611 -8.480 23.005 86 HE ARG 11 HE ARG 11 -0.175 -7.546 20.490 87 HH11 ARG 11 1HH1 ARG 11 2.842 -7.963 22.323 88 HH12 ARG 11 2HH1 ARG 11 3.755 -8.422 20.971 89 HH21 ARG 11 1HH2 ARG 11 1.067 -8.166 18.650 90 HH22 ARG 11 2HH2 ARG 11 2.732 -8.555 18.794 91 H GLN 12 H GLN 12 -3.880 -10.617 22.682 92 HA GLN 12 HA GLN 12 -5.439 -10.522 20.339 93 HB2 GLN 12 2HB GLN 12 -4.207 -12.560 21.085 94 HB3 GLN 12 1HB GLN 12 -5.364 -12.742 22.398 95 HG2 GLN 12 2HG GLN 12 -7.170 -13.040 20.788 96 HG3 GLN 12 1HG GLN 12 -6.037 -12.824 19.459 97 HE21 GLN 12 1HE2 GLN 12 -4.525 -14.446 19.066 98 HE22 GLN 12 2HE2 GLN 12 -4.762 -16.065 19.610 99 H ARG 13 H ARG 13 -6.282 -10.809 23.761 100 HA ARG 13 HA ARG 13 -9.048 -11.026 23.503 101 HB2 ARG 13 2HB ARG 13 -7.798 -11.395 25.594 102 HB3 ARG 13 1HB ARG 13 -7.454 -9.681 25.687 103 HG2 ARG 13 2HG ARG 13 -9.243 -10.364 27.215 104 HG3 ARG 13 1HG ARG 13 -9.795 -9.193 26.016 105 HD2 ARG 13 2HD ARG 13 -11.384 -11.074 26.435 106 HD3 ARG 13 1HD ARG 13 -10.887 -10.884 24.755 107 HE ARG 13 HE ARG 13 -9.529 -12.794 24.967 108 HH11 ARG 13 1HH1 ARG 13 -11.387 -12.255 27.939 109 HH12 ARG 13 2HH1 ARG 13 -11.473 -13.915 28.312 110 HH21 ARG 13 1HH2 ARG 13 -9.691 -15.051 25.493 111 HH22 ARG 13 2HH2 ARG 13 -10.516 -15.523 26.906 112 H LEU 14 H LEU 14 -6.968 -8.200 23.692 113 HA LEU 14 HA LEU 14 -8.840 -6.155 23.789 114 HB2 LEU 14 2HB LEU 14 -6.346 -6.008 24.049 115 HB3 LEU 14 1HB LEU 14 -6.205 -6.176 22.317 116 HG LEU 14 HG LEU 14 -7.489 -4.048 22.067 117 HD11 LEU 14 1HD1 LEU 14 -7.719 -2.619 24.027 118 HD12 LEU 14 2HD1 LEU 14 -7.053 -3.908 25.036 119 HD13 LEU 14 3HD1 LEU 14 -8.606 -4.135 24.237 120 HD21 LEU 14 3HD2 LEU 14 -5.054 -4.103 21.936 121 HD22 LEU 14 1HD2 LEU 14 -4.949 -3.928 23.687 122 HD23 LEU 14 2HD2 LEU 14 -5.614 -2.621 22.707 123 H ALA 15 H ALA 15 -7.456 -7.902 21.094 124 HA ALA 15 HA ALA 15 -8.780 -6.420 19.074 125 HB1 ALA 15 1HB ALA 15 -6.648 -7.547 18.653 126 HB2 ALA 15 2HB ALA 15 -7.892 -8.077 17.523 127 HB3 ALA 15 3HB ALA 15 -7.432 -9.109 18.878 128 H GLU 16 H GLU 16 -9.428 -9.515 20.687 129 HA GLU 16 HA GLU 16 -11.574 -10.290 19.020 130 HB2 GLU 16 2HB GLU 16 -11.100 -11.082 21.896 131 HB3 GLU 16 1HB GLU 16 -12.149 -11.910 20.752 132 HG2 GLU 16 2HG GLU 16 -10.138 -12.166 19.323 133 HG3 GLU 16 1HG GLU 16 -9.179 -11.655 20.691 134 H LEU 17 H LEU 17 -11.424 -8.628 22.009 135 HA LEU 17 HA LEU 17 -14.223 -8.210 22.330 136 HB2 LEU 17 2HB LEU 17 -12.432 -8.118 24.135 137 HB3 LEU 17 1HB LEU 17 -11.939 -6.578 23.493 138 HG LEU 17 HG LEU 17 -13.252 -6.456 25.606 139 HD11 LEU 17 1HD1 LEU 17 -14.757 -4.660 24.973 140 HD12 LEU 17 2HD1 LEU 17 -14.554 -5.094 23.274 141 HD13 LEU 17 3HD1 LEU 17 -13.176 -4.506 24.205 142 HD21 LEU 17 3HD2 LEU 17 -15.664 -6.822 25.554 143 HD22 LEU 17 1HD2 LEU 17 -14.769 -8.306 25.234 144 HD23 LEU 17 2HD2 LEU 17 -15.538 -7.436 23.907 145 H GLN 18 H GLN 18 -11.718 -6.785 20.595 146 HA GLN 18 HA GLN 18 -11.380 -5.175 19.138 147 HB2 GLN 18 2HB GLN 18 -13.469 -6.169 18.033 148 HB3 GLN 18 1HB GLN 18 -14.361 -4.835 18.758 149 HG2 GLN 18 2HG GLN 18 -12.793 -3.259 17.624 150 HG3 GLN 18 1HG GLN 18 -12.097 -4.629 16.784 151 HE21 GLN 18 1HE2 GLN 18 -13.381 -2.318 15.691 152 HE22 GLN 18 2HE2 GLN 18 -14.703 -2.849 14.732 153 H ALA 19 H ALA 19 -10.785 -4.273 21.249 154 HA ALA 19 HA ALA 19 -12.257 -1.810 21.733 155 HB1 ALA 19 1HB ALA 19 -9.832 -2.970 23.110 156 HB2 ALA 19 2HB ALA 19 -11.487 -3.047 23.716 157 HB3 ALA 19 3HB ALA 19 -10.659 -1.491 23.594 158 H LYS 20 H LYS 20 -11.423 0.114 21.137 159 HA LYS 20 HA LYS 20 -9.784 0.047 18.853 160 HB2 LYS 20 2HB LYS 20 -11.558 1.729 19.182 161 HB3 LYS 20 1HB LYS 20 -10.664 2.417 20.522 162 HG2 LYS 20 2HG LYS 20 -8.917 3.176 19.029 163 HG3 LYS 20 1HG LYS 20 -9.684 2.358 17.665 164 HD2 LYS 20 2HD LYS 20 -11.647 3.805 17.885 165 HD3 LYS 20 1HD LYS 20 -10.920 4.595 19.280 166 HE2 LYS 20 2HE LYS 20 -9.709 4.583 16.517 167 HE3 LYS 20 1HE LYS 20 -10.741 5.872 17.123 168 HZ1 LYS 20 3HZ LYS 20 -8.082 5.094 18.257 169 HZ2 LYS 20 1HZ LYS 20 -9.117 6.277 18.881 170 HZ3 LYS 20 2HZ LYS 20 -8.434 6.440 17.359 171 H HIS 21 H HIS 21 -9.196 1.673 21.978 172 HA HIS 21 HA HIS 21 -7.251 2.340 23.028 173 HB2 HIS 21 2HB HIS 21 -7.215 -0.167 23.379 174 HB3 HIS 21 1HB HIS 21 -6.259 -0.325 21.917 175 HD1 HIS 21 1HD HIS 21 -3.868 -0.707 22.444 176 HD2 HIS 21 2HD HIS 21 -5.695 1.662 25.316 177 HE1 HIS 21 1HE HIS 21 -2.107 -0.251 24.148 178 HE2 HIS 21 2HE HIS 21 -3.148 1.481 25.620 179 H GLY 22 H GLY 22 -7.694 3.323 20.521 180 HA2 GLY 22 2HA GLY 22 -5.246 3.044 18.966 181 HA3 GLY 22 1HA GLY 22 -6.775 3.670 18.371 182 H ASP 23 H ASP 23 -4.461 4.389 20.899 183 HA ASP 23 HA ASP 23 -4.437 7.119 19.894 184 HB2 ASP 23 2HB ASP 23 -3.717 7.858 22.131 185 HB3 ASP 23 1HB ASP 23 -5.227 6.972 22.255 186 HA PRO 24 HA PRO 24 -0.464 5.369 18.597 187 HB2 PRO 24 2HB PRO 24 -0.644 7.676 16.741 188 HB3 PRO 24 1HB PRO 24 -0.340 5.972 16.387 189 HG2 PRO 24 2HG PRO 24 -2.688 7.035 15.774 190 HG3 PRO 24 1HG PRO 24 -2.602 5.414 16.485 191 HD2 PRO 24 2HD PRO 24 -3.212 8.019 17.832 192 HD3 PRO 24 1HD PRO 24 -4.073 6.466 17.947 193 H GLY 25 H GLY 25 -1.394 8.522 19.657 194 HA2 GLY 25 2HA GLY 25 -0.217 9.788 21.218 195 HA3 GLY 25 1HA GLY 25 1.215 8.826 20.882 196 H ASP 26 H ASP 26 -0.918 10.789 18.889 197 HA ASP 26 HA ASP 26 -0.647 12.530 17.502 198 HB2 ASP 26 2HB ASP 26 0.021 13.737 19.519 199 HB3 ASP 26 1HB ASP 26 1.693 13.253 19.272 200 H ALA 27 H ALA 27 2.748 11.766 18.053 201 HA ALA 27 HA ALA 27 3.611 12.435 15.459 202 HB1 ALA 27 1HB ALA 27 5.127 12.251 17.379 203 HB2 ALA 27 2HB ALA 27 5.676 11.271 16.018 204 HB3 ALA 27 3HB ALA 27 4.884 10.506 17.391 205 H ALA 28 H ALA 28 2.576 9.406 16.832 206 HA ALA 28 HA ALA 28 3.262 7.966 14.498 207 HB1 ALA 28 1HB ALA 28 1.610 7.032 16.830 208 HB2 ALA 28 2HB ALA 28 3.359 6.887 16.679 209 HB3 ALA 28 3HB ALA 28 2.301 6.007 15.574 210 H GLN 29 H GLN 29 0.408 9.663 15.534 211 HA GLN 29 HA GLN 29 -1.235 8.210 13.702 212 HB2 GLN 29 2HB GLN 29 -3.096 9.628 14.343 213 HB3 GLN 29 1HB GLN 29 -2.245 9.116 15.788 214 HG2 GLN 29 2HG GLN 29 -1.148 11.281 15.897 215 HG3 GLN 29 1HG GLN 29 -2.022 11.798 14.458 216 HE21 GLN 29 1HE2 GLN 29 -4.244 12.100 14.597 217 HE22 GLN 29 2HE2 GLN 29 -5.017 12.359 16.122 218 H GLN 30 H GLN 30 0.698 11.030 13.719 219 HA GLN 30 HA GLN 30 -0.368 12.201 11.338 220 HB2 GLN 30 2HB GLN 30 1.041 13.386 13.084 221 HB3 GLN 30 1HB GLN 30 2.431 12.513 12.448 222 HG2 GLN 30 2HG GLN 30 2.335 14.740 11.510 223 HG3 GLN 30 1HG GLN 30 2.044 13.536 10.251 224 HE21 GLN 30 1HE2 GLN 30 0.906 14.890 8.933 225 HE22 GLN 30 2HE2 GLN 30 -0.674 15.485 9.317 226 H GLU 31 H GLU 31 2.246 9.896 12.065 227 HA GLU 31 HA GLU 31 2.951 9.759 9.313 228 HB2 GLU 31 2HB GLU 31 4.378 7.894 9.799 229 HB3 GLU 31 1HB GLU 31 4.572 9.090 11.067 230 HG2 GLU 31 2HG GLU 31 3.479 7.813 12.620 231 HG3 GLU 31 1HG GLU 31 2.696 6.808 11.401 232 H ALA 32 H ALA 32 0.605 8.162 11.294 233 HA ALA 32 HA ALA 32 -0.028 6.013 9.619 234 HB1 ALA 32 1HB ALA 32 -1.908 7.660 11.327 235 HB2 ALA 32 2HB ALA 32 -0.974 6.267 11.877 236 HB3 ALA 32 3HB ALA 32 -2.250 6.057 10.679 237 H LYS 33 H LYS 33 -0.867 9.382 9.502 238 HA LYS 33 HA LYS 33 -2.654 9.215 7.248 239 HB2 LYS 33 2HB LYS 33 -2.754 11.055 8.895 240 HB3 LYS 33 1HB LYS 33 -1.120 11.531 8.469 241 HG2 LYS 33 2HG LYS 33 -2.569 13.025 7.428 242 HG3 LYS 33 1HG LYS 33 -1.929 11.933 6.175 243 HD2 LYS 33 2HD LYS 33 -4.028 10.575 6.416 244 HD3 LYS 33 1HD LYS 33 -4.681 11.865 7.422 245 HE2 LYS 33 2HE LYS 33 -3.820 12.079 4.534 246 HE3 LYS 33 1HE LYS 33 -5.463 12.089 5.160 247 HZ1 LYS 33 3HZ LYS 33 -3.413 14.193 5.668 248 HZ2 LYS 33 1HZ LYS 33 -5.008 14.226 6.249 249 HZ3 LYS 33 2HZ LYS 33 -4.691 14.295 4.606 250 H HIS 34 H HIS 34 0.780 9.362 7.664 251 HA HIS 34 HA HIS 34 1.241 10.012 4.885 252 HB2 HIS 34 2HB HIS 34 2.924 10.655 6.621 253 HB3 HIS 34 1HB HIS 34 3.209 8.950 6.947 254 HD1 HIS 34 1HD HIS 34 3.936 11.637 4.421 255 HD2 HIS 34 2HD HIS 34 4.835 7.649 5.092 256 HE1 HIS 34 1HE HIS 34 5.732 11.078 2.800 257 HE2 HIS 34 2HE HIS 34 5.979 8.584 3.010 258 H ARG 35 H ARG 35 1.223 7.163 6.922 259 HA ARG 35 HA ARG 35 1.838 5.187 4.981 260 HB2 ARG 35 2HB ARG 35 0.381 5.181 7.590 261 HB3 ARG 35 1HB ARG 35 0.173 3.806 6.539 262 HG2 ARG 35 2HG ARG 35 1.830 3.407 8.284 263 HG3 ARG 35 1HG ARG 35 2.539 3.280 6.690 264 HD2 ARG 35 2HD ARG 35 2.727 5.882 8.101 265 HD3 ARG 35 1HD ARG 35 3.706 4.552 8.702 266 HE ARG 35 HE ARG 35 3.979 4.902 5.876 267 HH11 ARG 35 1HH1 ARG 35 5.102 5.992 9.068 268 HH12 ARG 35 2HH1 ARG 35 6.574 6.614 8.506 269 HH21 ARG 35 1HH2 ARG 35 6.128 5.724 5.074 270 HH22 ARG 35 2HH2 ARG 35 7.165 6.419 6.215 271 H GLU 36 H GLU 36 -0.984 6.999 5.710 272 HA GLU 36 HA GLU 36 -3.089 5.628 4.604 273 HB2 GLU 36 2HB GLU 36 -3.224 7.644 5.964 274 HB3 GLU 36 1HB GLU 36 -2.414 8.576 4.738 275 HG2 GLU 36 2HG GLU 36 -5.155 7.400 4.506 276 HG3 GLU 36 1HG GLU 36 -4.819 9.013 5.053 277 H ALA 37 H ALA 37 -1.043 8.046 2.979 278 HA ALA 37 HA ALA 37 -1.992 7.267 0.415 279 HB1 ALA 37 1HB ALA 37 0.288 9.096 1.150 280 HB2 ALA 37 2HB ALA 37 -1.385 9.588 0.873 281 HB3 ALA 37 3HB ALA 37 -0.426 8.929 -0.453 282 H GLU 38 H GLU 38 1.160 7.108 2.055 283 HA GLU 38 HA GLU 38 2.589 6.018 -0.078 284 HB2 GLU 38 2HB GLU 38 3.532 7.276 1.871 285 HB3 GLU 38 1HB GLU 38 3.307 5.836 2.840 286 HG2 GLU 38 2HG GLU 38 4.878 4.621 1.412 287 HG3 GLU 38 1HG GLU 38 5.094 6.069 0.426 288 H MET 39 H MET 39 1.215 4.313 2.728 289 HA MET 39 HA MET 39 2.318 1.821 1.832 290 HB2 MET 39 2HB MET 39 0.262 2.362 3.954 291 HB3 MET 39 1HB MET 39 0.610 0.731 3.414 292 HG2 MET 39 2HG MET 39 3.004 1.154 4.045 293 HG3 MET 39 1HG MET 39 2.443 2.672 4.751 294 HE1 MET 39 3HE MET 39 0.495 -0.799 4.755 295 HE2 MET 39 1HE MET 39 1.118 -1.508 6.241 296 HE3 MET 39 2HE MET 39 2.198 -1.242 4.873 297 H ARG 40 H ARG 40 -0.871 3.284 1.606 298 HA ARG 40 HA ARG 40 -2.098 0.996 0.561 299 HB2 ARG 40 2HB ARG 40 -2.882 3.877 0.209 300 HB3 ARG 40 1HB ARG 40 -3.814 2.548 -0.459 301 HG2 ARG 40 2HG ARG 40 -3.897 1.653 1.931 302 HG3 ARG 40 1HG ARG 40 -3.337 3.254 2.410 303 HD2 ARG 40 2HD ARG 40 -5.806 2.692 0.768 304 HD3 ARG 40 1HD ARG 40 -5.797 3.040 2.491 305 HE ARG 40 HE ARG 40 -4.643 5.200 1.664 306 HH11 ARG 40 1HH1 ARG 40 -7.237 3.523 -0.124 307 HH12 ARG 40 2HH1 ARG 40 -8.033 4.940 -0.578 308 HH21 ARG 40 1HH2 ARG 40 -5.787 7.143 1.061 309 HH22 ARG 40 2HH2 ARG 40 -7.170 7.056 0.067 310 H ASN 41 H ASN 41 -0.735 3.748 -1.180 311 HA ASN 41 HA ASN 41 -1.370 2.753 -3.713 312 HB2 ASN 41 2HB ASN 41 -0.719 5.043 -3.244 313 HB3 ASN 41 1HB ASN 41 0.955 4.569 -2.959 314 HD21 ASN 41 1HD2 ASN 41 -0.011 6.508 -4.815 315 HD22 ASN 41 2HD2 ASN 41 0.372 5.998 -6.409 316 H SER 42 H SER 42 1.514 2.314 -1.724 317 HA SER 42 HA SER 42 2.980 0.881 -3.624 318 HB2 SER 42 2HB SER 42 3.184 0.857 -0.617 319 HB3 SER 42 1HB SER 42 4.418 0.303 -1.747 320 HG SER 42 HG SER 42 3.673 2.848 -1.010 321 H ILE 43 H ILE 43 0.936 -0.317 -0.881 322 HA ILE 43 HA ILE 43 1.614 -3.001 -1.587 323 HB ILE 43 HB ILE 43 0.126 -3.816 0.150 324 HG12 ILE 43 2HG1 ILE 43 -0.768 -0.927 0.586 325 HG13 ILE 43 1HG1 ILE 43 -1.749 -2.206 -0.112 326 HG21 ILE 43 1HG2 ILE 43 1.176 -2.758 2.100 327 HG22 ILE 43 2HG2 ILE 43 1.763 -1.462 1.055 328 HG23 ILE 43 3HG2 ILE 43 2.323 -3.115 0.808 329 HD11 ILE 43 3HD1 ILE 43 -2.313 -1.778 2.206 330 HD12 ILE 43 1HD1 ILE 43 -0.655 -2.132 2.687 331 HD13 ILE 43 2HD1 ILE 43 -1.664 -3.407 2.005 332 H LEU 44 H LEU 44 -1.155 -0.966 -2.235 333 HA LEU 44 HA LEU 44 -2.800 -3.071 -3.168 334 HB2 LEU 44 2HB LEU 44 -2.853 -0.143 -3.784 335 HB3 LEU 44 1HB LEU 44 -4.132 -1.260 -4.221 336 HG LEU 44 HG LEU 44 -3.282 -0.625 -1.391 337 HD11 LEU 44 1HD1 LEU 44 -4.301 1.293 -2.467 338 HD12 LEU 44 2HD1 LEU 44 -5.359 0.612 -1.233 339 HD13 LEU 44 3HD1 LEU 44 -5.684 0.306 -2.941 340 HD21 LEU 44 3HD2 LEU 44 -5.362 -1.773 -0.779 341 HD22 LEU 44 1HD2 LEU 44 -4.226 -2.849 -1.599 342 HD23 LEU 44 2HD2 LEU 44 -5.611 -2.195 -2.475 343 H ALA 45 H ALA 45 -0.577 -0.846 -4.796 344 HA ALA 45 HA ALA 45 -1.050 -1.821 -7.391 345 HB1 ALA 45 1HB ALA 45 1.480 -0.584 -6.317 346 HB2 ALA 45 2HB ALA 45 0.088 0.306 -6.928 347 HB3 ALA 45 3HB ALA 45 1.024 -0.722 -8.014 348 H GLN 46 H GLN 46 0.645 -3.256 -4.786 349 HA GLN 46 HA GLN 46 2.151 -5.045 -6.538 350 HB2 GLN 46 2HB GLN 46 2.091 -4.781 -3.536 351 HB3 GLN 46 1HB GLN 46 3.021 -6.004 -4.385 352 HG2 GLN 46 2HG GLN 46 3.372 -3.029 -4.674 353 HG3 GLN 46 1HG GLN 46 4.387 -4.087 -3.700 354 HE21 GLN 46 1HE2 GLN 46 3.549 -3.082 -6.915 355 HE22 GLN 46 2HE2 GLN 46 4.898 -3.815 -7.691 356 H VAL 47 H VAL 47 -0.354 -5.225 -4.055 357 HA VAL 47 HA VAL 47 -0.784 -8.066 -4.338 358 HB VAL 47 HB VAL 47 -2.622 -5.992 -3.106 359 HG11 VAL 47 1HG1 VAL 47 -2.492 -8.967 -2.809 360 HG12 VAL 47 2HG1 VAL 47 -3.792 -8.023 -3.548 361 HG13 VAL 47 3HG1 VAL 47 -3.477 -7.902 -1.813 362 HG21 VAL 47 3HG2 VAL 47 -0.473 -7.652 -1.786 363 HG22 VAL 47 1HG2 VAL 47 -1.655 -6.642 -0.944 364 HG23 VAL 47 2HG2 VAL 47 -0.473 -5.898 -2.012 365 H LEU 48 H LEU 48 -2.385 -5.220 -5.613 366 HA LEU 48 HA LEU 48 -4.147 -7.012 -7.049 367 HB2 LEU 48 2HB LEU 48 -4.089 -4.006 -6.934 368 HB3 LEU 48 1HB LEU 48 -5.262 -4.957 -7.815 369 HG LEU 48 HG LEU 48 -4.917 -4.836 -4.811 370 HD11 LEU 48 1HD1 LEU 48 -7.149 -3.826 -4.832 371 HD12 LEU 48 2HD1 LEU 48 -7.108 -3.809 -6.598 372 HD13 LEU 48 3HD1 LEU 48 -5.948 -2.851 -5.674 373 HD21 LEU 48 3HD2 LEU 48 -5.589 -7.051 -5.388 374 HD22 LEU 48 1HD2 LEU 48 -6.844 -6.451 -6.481 375 HD23 LEU 48 2HD2 LEU 48 -6.984 -6.199 -4.744 376 H ASP 49 H ASP 49 -3.824 -7.510 -9.003 377 HA ASP 49 HA ASP 49 -1.616 -6.827 -10.563 378 HB2 ASP 49 2HB ASP 49 -2.914 -8.818 -11.094 379 HB3 ASP 49 1HB ASP 49 -4.351 -7.844 -11.383 380 H GLN 50 H GLN 50 -1.503 -5.527 -12.353 381 HA GLN 50 HA GLN 50 -2.267 -2.877 -12.032 382 HB2 GLN 50 2HB GLN 50 -0.379 -3.681 -13.401 383 HB3 GLN 50 1HB GLN 50 -1.529 -4.238 -14.605 384 HG2 GLN 50 2HG GLN 50 -2.278 -1.943 -14.955 385 HG3 GLN 50 1HG GLN 50 -1.112 -1.388 -13.754 386 HE21 GLN 50 1HE2 GLN 50 -0.453 -3.960 -16.020 387 HE22 GLN 50 2HE2 GLN 50 0.696 -3.085 -16.948 388 H SER 51 H SER 51 -3.988 -5.453 -13.708 389 HA SER 51 HA SER 51 -5.762 -3.696 -15.120 390 HB2 SER 51 2HB SER 51 -6.345 -6.582 -14.461 391 HB3 SER 51 1HB SER 51 -6.837 -5.637 -15.854 392 HG SER 51 HG SER 51 -4.364 -6.745 -15.241 393 H ALA 52 H ALA 52 -5.682 -5.385 -12.056 394 HA ALA 52 HA ALA 52 -8.428 -5.015 -11.418 395 HB1 ALA 52 1HB ALA 52 -7.131 -6.801 -10.370 396 HB2 ALA 52 2HB ALA 52 -7.762 -5.704 -9.142 397 HB3 ALA 52 3HB ALA 52 -6.068 -5.608 -9.632 398 H ARG 53 H ARG 53 -5.439 -3.291 -10.767 399 HA ARG 53 HA ARG 53 -6.574 -1.287 -9.122 400 HB2 ARG 53 2HB ARG 53 -4.144 -1.169 -10.923 401 HB3 ARG 53 1HB ARG 53 -4.599 0.114 -9.818 402 HG2 ARG 53 2HG ARG 53 -3.874 -2.704 -9.017 403 HG3 ARG 53 1HG ARG 53 -2.811 -1.300 -8.919 404 HD2 ARG 53 2HD ARG 53 -5.401 -1.686 -7.386 405 HD3 ARG 53 1HD ARG 53 -3.775 -1.805 -6.743 406 HE ARG 53 HE ARG 53 -3.759 0.660 -7.732 407 HH11 ARG 53 1HH1 ARG 53 -6.200 -0.861 -5.620 408 HH12 ARG 53 2HH1 ARG 53 -6.589 0.637 -4.859 409 HH21 ARG 53 1HH2 ARG 53 -4.329 2.584 -6.648 410 HH22 ARG 53 2HH2 ARG 53 -5.515 2.597 -5.426 411 H ALA 54 H ALA 54 -6.111 -1.488 -12.612 412 HA ALA 54 HA ALA 54 -7.149 1.054 -13.267 413 HB1 ALA 54 1HB ALA 54 -5.838 -0.303 -14.832 414 HB2 ALA 54 2HB ALA 54 -7.391 0.160 -15.531 415 HB3 ALA 54 3HB ALA 54 -7.153 -1.474 -14.915 416 H ARG 55 H ARG 55 -8.654 -2.118 -12.986 417 HA ARG 55 HA ARG 55 -11.263 -1.523 -13.799 418 HB2 ARG 55 2HB ARG 55 -10.147 -3.770 -13.275 419 HB3 ARG 55 1HB ARG 55 -10.502 -3.426 -11.591 420 HG2 ARG 55 2HG ARG 55 -12.203 -4.843 -12.356 421 HG3 ARG 55 1HG ARG 55 -12.917 -3.224 -12.284 422 HD2 ARG 55 2HD ARG 55 -12.590 -2.946 -14.670 423 HD3 ARG 55 1HD ARG 55 -11.795 -4.513 -14.766 424 HE ARG 55 HE ARG 55 -14.600 -4.159 -13.992 425 HH11 ARG 55 1HH1 ARG 55 -12.085 -5.983 -15.763 426 HH12 ARG 55 2HH1 ARG 55 -13.205 -7.032 -16.508 427 HH21 ARG 55 1HH2 ARG 55 -16.093 -5.653 -15.005 428 HH22 ARG 55 2HH2 ARG 55 -15.505 -6.866 -16.056 429 H LEU 56 H LEU 56 -9.709 -1.476 -10.648 430 HA LEU 56 HA LEU 56 -11.956 -0.685 -9.153 431 HB2 LEU 56 2HB LEU 56 -10.013 -1.853 -8.245 432 HB3 LEU 56 1HB LEU 56 -9.026 -0.439 -8.536 433 HG LEU 56 HG LEU 56 -10.286 0.823 -6.903 434 HD11 LEU 56 1HD1 LEU 56 -11.875 -1.720 -6.606 435 HD12 LEU 56 2HD1 LEU 56 -12.477 -0.148 -7.147 436 HD13 LEU 56 3HD1 LEU 56 -11.935 -0.369 -5.487 437 HD21 LEU 56 3HD2 LEU 56 -8.358 -0.464 -6.162 438 HD22 LEU 56 1HD2 LEU 56 -9.385 -1.866 -5.880 439 HD23 LEU 56 2HD2 LEU 56 -9.597 -0.410 -4.911 440 H SER 57 H SER 57 -9.492 1.073 -10.853 441 HA SER 57 HA SER 57 -9.924 3.587 -9.712 442 HB2 SER 57 2HB SER 57 -7.930 2.975 -11.066 443 HB3 SER 57 1HB SER 57 -8.945 2.895 -12.501 444 HG SER 57 HG SER 57 -8.809 5.241 -10.932 445 H ASN 58 H ASN 58 -11.617 1.786 -12.196 446 HA ASN 58 HA ASN 58 -13.253 3.936 -13.140 447 HB2 ASN 58 2HB ASN 58 -12.944 1.833 -14.429 448 HB3 ASN 58 1HB ASN 58 -13.793 0.951 -13.165 449 HD21 ASN 58 1HD2 ASN 58 -14.668 4.119 -14.523 450 HD22 ASN 58 2HD2 ASN 58 -16.168 3.583 -15.183 451 H LEU 59 H LEU 59 -13.563 1.464 -10.643 452 HA LEU 59 HA LEU 59 -16.175 2.007 -9.836 453 HB2 LEU 59 2HB LEU 59 -13.832 0.713 -8.527 454 HB3 LEU 59 1HB LEU 59 -15.213 1.116 -7.541 455 HG LEU 59 HG LEU 59 -15.261 -1.226 -8.194 456 HD11 LEU 59 1HD1 LEU 59 -17.383 -0.129 -7.877 457 HD12 LEU 59 2HD1 LEU 59 -17.494 -1.366 -9.125 458 HD13 LEU 59 3HD1 LEU 59 -17.430 0.336 -9.579 459 HD21 LEU 59 3HD2 LEU 59 -15.582 -1.914 -10.529 460 HD22 LEU 59 1HD2 LEU 59 -14.030 -1.111 -10.295 461 HD23 LEU 59 2HD2 LEU 59 -15.368 -0.241 -11.044 462 H ALA 60 H ALA 60 -13.164 3.554 -9.068 463 HA ALA 60 HA ALA 60 -14.013 5.062 -6.836 464 HB1 ALA 60 1HB ALA 60 -11.653 4.727 -7.421 465 HB2 ALA 60 2HB ALA 60 -12.046 6.441 -7.234 466 HB3 ALA 60 3HB ALA 60 -11.878 5.743 -8.846 467 H LEU 61 H LEU 61 -14.602 5.456 -10.202 468 HA LEU 61 HA LEU 61 -15.382 8.213 -9.905 469 HB2 LEU 61 2HB LEU 61 -15.306 6.333 -12.216 470 HB3 LEU 61 1HB LEU 61 -16.299 7.774 -12.329 471 HG LEU 61 HG LEU 61 -14.238 9.134 -11.923 472 HD11 LEU 61 1HD1 LEU 61 -12.877 7.486 -10.784 473 HD12 LEU 61 2HD1 LEU 61 -12.056 8.128 -12.205 474 HD13 LEU 61 3HD1 LEU 61 -12.787 6.523 -12.259 475 HD21 LEU 61 3HD2 LEU 61 -15.074 8.807 -14.166 476 HD22 LEU 61 1HD2 LEU 61 -14.179 7.293 -14.302 477 HD23 LEU 61 2HD2 LEU 61 -13.309 8.821 -14.165 478 H VAL 62 H VAL 62 -16.927 5.094 -10.046 479 HA VAL 62 HA VAL 62 -19.488 6.414 -10.138 480 HB VAL 62 HB VAL 62 -20.547 4.149 -10.189 481 HG11 VAL 62 1HG1 VAL 62 -19.800 3.574 -12.455 482 HG12 VAL 62 2HG1 VAL 62 -18.403 4.629 -12.249 483 HG13 VAL 62 3HG1 VAL 62 -20.029 5.315 -12.256 484 HG21 VAL 62 3HG2 VAL 62 -18.808 2.882 -8.989 485 HG22 VAL 62 1HG2 VAL 62 -17.703 3.164 -10.334 486 HG23 VAL 62 2HG2 VAL 62 -19.144 2.170 -10.573 487 H LYS 63 H LYS 63 -17.835 4.284 -7.793 488 HA LYS 63 HA LYS 63 -19.237 5.680 -5.692 489 HB2 LYS 63 2HB LYS 63 -19.406 2.664 -5.955 490 HB3 LYS 63 1HB LYS 63 -19.784 3.555 -4.502 491 HG2 LYS 63 2HG LYS 63 -21.618 4.688 -5.623 492 HG3 LYS 63 1HG LYS 63 -21.228 3.852 -7.125 493 HD2 LYS 63 2HD LYS 63 -23.091 2.757 -6.030 494 HD3 LYS 63 1HD LYS 63 -21.684 1.703 -6.027 495 HE2 LYS 63 2HE LYS 63 -22.842 1.622 -3.876 496 HE3 LYS 63 1HE LYS 63 -21.230 2.293 -3.685 497 HZ1 LYS 63 3HZ LYS 63 -23.077 3.399 -2.477 498 HZ2 LYS 63 1HZ LYS 63 -23.670 3.965 -3.934 499 HZ3 LYS 63 2HZ LYS 63 -22.132 4.460 -3.353 500 HA PRO 64 HA PRO 64 -14.795 4.982 -4.773 501 HB2 PRO 64 2HB PRO 64 -14.720 7.188 -3.075 502 HB3 PRO 64 1HB PRO 64 -14.257 7.197 -4.779 503 HG2 PRO 64 2HG PRO 64 -16.795 8.061 -3.496 504 HG3 PRO 64 1HG PRO 64 -15.954 8.751 -4.891 505 HD2 PRO 64 2HD PRO 64 -18.157 7.235 -5.135 506 HD3 PRO 64 1HD PRO 64 -16.868 7.211 -6.351 507 H GLU 65 H GLU 65 -17.658 5.314 -2.844 508 HA GLU 65 HA GLU 65 -16.763 4.684 -0.290 509 HB2 GLU 65 2HB GLU 65 -19.256 3.470 -1.512 510 HB3 GLU 65 1HB GLU 65 -18.923 3.696 0.190 511 HG2 GLU 65 2HG GLU 65 -20.424 5.362 -0.238 512 HG3 GLU 65 1HG GLU 65 -18.891 6.208 -0.429 513 H LYS 66 H LYS 66 -17.431 2.556 -3.043 514 HA LYS 66 HA LYS 66 -16.914 0.235 -1.432 515 HB2 LYS 66 2HB LYS 66 -17.168 0.194 -4.446 516 HB3 LYS 66 1HB LYS 66 -17.450 -1.118 -3.309 517 HG2 LYS 66 2HG LYS 66 -19.192 1.281 -3.825 518 HG3 LYS 66 1HG LYS 66 -19.563 -0.413 -4.107 519 HD2 LYS 66 2HD LYS 66 -19.192 0.897 -1.401 520 HD3 LYS 66 1HD LYS 66 -20.731 0.494 -2.145 521 HE2 LYS 66 2HE LYS 66 -20.119 -1.893 -2.057 522 HE3 LYS 66 1HE LYS 66 -18.591 -1.458 -1.286 523 HZ1 LYS 66 3HZ LYS 66 -21.318 -1.046 -0.172 524 HZ2 LYS 66 1HZ LYS 66 -19.915 -0.428 0.516 525 HZ3 LYS 66 2HZ LYS 66 -20.122 -2.082 0.427 526 H THR 67 H THR 67 -15.173 2.280 -3.652 527 HA THR 67 HA THR 67 -12.930 0.722 -4.144 528 HB THR 67 HB THR 67 -12.900 3.677 -3.574 529 HG1 THR 67 1HG THR 67 -13.650 2.371 -6.010 530 HG21 THR 67 3HG2 THR 67 -10.739 2.613 -4.081 531 HG22 THR 67 1HG2 THR 67 -11.218 3.709 -5.377 532 HG23 THR 67 2HG2 THR 67 -11.413 1.971 -5.582 533 H LYS 68 H LYS 68 -13.637 3.061 -1.570 534 HA LYS 68 HA LYS 68 -11.357 2.889 -0.001 535 HB2 LYS 68 2HB LYS 68 -14.239 3.273 0.781 536 HB3 LYS 68 1HB LYS 68 -12.900 3.475 1.899 537 HG2 LYS 68 2HG LYS 68 -12.098 5.366 0.718 538 HG3 LYS 68 1HG LYS 68 -13.170 5.046 -0.648 539 HD2 LYS 68 2HD LYS 68 -14.001 6.892 0.748 540 HD3 LYS 68 1HD LYS 68 -15.113 5.529 0.722 541 HE2 LYS 68 2HE LYS 68 -14.255 4.819 2.921 542 HE3 LYS 68 1HE LYS 68 -13.174 6.215 2.936 543 HZ1 LYS 68 3HZ LYS 68 -16.136 6.331 2.834 544 HZ2 LYS 68 1HZ LYS 68 -15.101 7.657 2.890 545 HZ3 LYS 68 2HZ LYS 68 -15.206 6.610 4.209 546 H ALA 69 H ALA 69 -14.278 0.958 0.086 547 HA ALA 69 HA ALA 69 -13.593 -0.587 2.346 548 HB1 ALA 69 1HB ALA 69 -15.523 -1.918 1.777 549 HB2 ALA 69 2HB ALA 69 -15.576 -1.191 0.169 550 HB3 ALA 69 3HB ALA 69 -15.881 -0.202 1.597 551 H VAL 70 H VAL 70 -13.360 -1.371 -1.166 552 HA VAL 70 HA VAL 70 -12.344 -3.951 -0.562 553 HB VAL 70 HB VAL 70 -11.601 -4.153 -2.917 554 HG11 VAL 70 1HG1 VAL 70 -14.352 -2.981 -2.688 555 HG12 VAL 70 2HG1 VAL 70 -13.912 -4.658 -2.363 556 HG13 VAL 70 3HG1 VAL 70 -13.761 -4.005 -3.994 557 HG21 VAL 70 3HG2 VAL 70 -12.066 -2.380 -4.519 558 HG22 VAL 70 1HG2 VAL 70 -10.874 -1.885 -3.318 559 HG23 VAL 70 2HG2 VAL 70 -12.539 -1.312 -3.194 560 H GLU 71 H GLU 71 -10.780 -0.867 -1.213 561 HA GLU 71 HA GLU 71 -8.164 -1.896 -1.217 562 HB2 GLU 71 2HB GLU 71 -9.170 0.895 -0.554 563 HB3 GLU 71 1HB GLU 71 -7.464 0.487 -0.780 564 HG2 GLU 71 2HG GLU 71 -8.056 -0.258 -3.092 565 HG3 GLU 71 1HG GLU 71 -9.689 0.327 -2.804 566 H ASN 72 H ASN 72 -10.270 -0.698 1.349 567 HA ASN 72 HA ASN 72 -8.621 -0.839 3.543 568 HB2 ASN 72 2HB ASN 72 -10.919 0.101 3.456 569 HB3 ASN 72 1HB ASN 72 -11.549 -1.520 3.301 570 HD21 ASN 72 1HD2 ASN 72 -8.908 -0.748 5.372 571 HD22 ASN 72 2HD2 ASN 72 -9.728 -1.057 6.854 572 H TYR 73 H TYR 73 -10.591 -3.326 2.007 573 HA TYR 73 HA TYR 73 -10.024 -5.317 3.904 574 HB2 TYR 73 2HB TYR 73 -11.982 -5.384 2.382 575 HB3 TYR 73 1HB TYR 73 -10.888 -5.704 1.038 576 HD1 TYR 73 1HD TYR 73 -11.746 -6.990 4.396 577 HD2 TYR 73 2HD TYR 73 -10.462 -7.919 0.461 578 HE1 TYR 73 1HE TYR 73 -11.848 -9.376 4.944 579 HE2 TYR 73 2HE TYR 73 -10.525 -10.306 0.998 580 HH TYR 73 HH TYR 73 -12.020 -11.424 3.936 581 H LEU 74 H LEU 74 -8.561 -4.554 0.773 582 HA LEU 74 HA LEU 74 -6.775 -6.721 0.868 583 HB2 LEU 74 2HB LEU 74 -6.789 -4.241 -0.797 584 HB3 LEU 74 1HB LEU 74 -5.355 -5.245 -0.756 585 HG LEU 74 HG LEU 74 -6.643 -5.777 -2.712 586 HD11 LEU 74 1HD1 LEU 74 -5.481 -7.615 -1.662 587 HD12 LEU 74 2HD1 LEU 74 -6.950 -8.153 -2.471 588 HD13 LEU 74 3HD1 LEU 74 -6.920 -8.007 -0.718 589 HD21 LEU 74 3HD2 LEU 74 -8.855 -5.070 -2.001 590 HD22 LEU 74 1HD2 LEU 74 -8.938 -6.424 -0.874 591 HD23 LEU 74 2HD2 LEU 74 -8.894 -6.724 -2.612 592 H ILE 75 H ILE 75 -6.431 -3.448 2.095 593 HA ILE 75 HA ILE 75 -3.750 -3.477 2.883 594 HB ILE 75 HB ILE 75 -6.119 -2.368 4.442 595 HG12 ILE 75 2HG1 ILE 75 -4.221 -0.931 2.578 596 HG13 ILE 75 1HG1 ILE 75 -5.846 -1.454 2.146 597 HG21 ILE 75 1HG2 ILE 75 -3.183 -1.716 4.735 598 HG22 ILE 75 2HG2 ILE 75 -4.177 -2.591 5.898 599 HG23 ILE 75 3HG2 ILE 75 -4.503 -0.889 5.562 600 HD11 ILE 75 3HD1 ILE 75 -5.838 0.892 2.685 601 HD12 ILE 75 1HD1 ILE 75 -5.112 0.555 4.259 602 HD13 ILE 75 2HD1 ILE 75 -6.745 0.003 3.907 603 H GLN 76 H GLN 76 -6.605 -4.747 4.501 604 HA GLN 76 HA GLN 76 -5.300 -5.744 6.801 605 HB2 GLN 76 2HB GLN 76 -7.956 -6.497 5.584 606 HB3 GLN 76 1HB GLN 76 -7.408 -6.999 7.178 607 HG2 GLN 76 2HG GLN 76 -7.318 -4.685 7.892 608 HG3 GLN 76 1HG GLN 76 -7.830 -4.153 6.290 609 HE21 GLN 76 1HE2 GLN 76 -9.961 -4.415 5.702 610 HE22 GLN 76 2HE2 GLN 76 -11.218 -4.846 6.809 611 H MET 77 H MET 77 -6.476 -7.369 3.864 612 HA MET 77 HA MET 77 -5.592 -9.932 4.559 613 HB2 MET 77 2HB MET 77 -6.182 -8.707 1.859 614 HB3 MET 77 1HB MET 77 -5.604 -10.364 2.023 615 HG2 MET 77 2HG MET 77 -8.064 -9.311 3.363 616 HG3 MET 77 1HG MET 77 -8.067 -9.909 1.715 617 HE1 MET 77 3HE MET 77 -6.405 -11.489 5.194 618 HE2 MET 77 1HE MET 77 -7.818 -12.447 5.550 619 HE3 MET 77 2HE MET 77 -7.951 -10.682 5.485 620 H ALA 78 H ALA 78 -3.874 -7.320 2.960 621 HA ALA 78 HA ALA 78 -1.543 -8.817 2.356 622 HB1 ALA 78 1HB ALA 78 -0.470 -6.650 2.003 623 HB2 ALA 78 2HB ALA 78 -1.823 -5.843 2.796 624 HB3 ALA 78 3HB ALA 78 -2.072 -6.673 1.262 625 H ARG 79 H ARG 79 -2.646 -7.055 5.167 626 HA ARG 79 HA ARG 79 -0.211 -6.908 6.563 627 HB2 ARG 79 2HB ARG 79 -2.276 -5.594 7.124 628 HB3 ARG 79 1HB ARG 79 -2.986 -7.070 7.744 629 HG2 ARG 79 2HG ARG 79 -2.152 -5.730 9.571 630 HG3 ARG 79 1HG ARG 79 -1.208 -7.216 9.430 631 HD2 ARG 79 2HD ARG 79 0.546 -5.982 8.234 632 HD3 ARG 79 1HD ARG 79 -0.395 -4.498 8.382 633 HE ARG 79 HE ARG 79 0.293 -5.904 10.819 634 HH11 ARG 79 1HH1 ARG 79 1.034 -3.190 8.653 635 HH12 ARG 79 2HH1 ARG 79 1.953 -2.333 9.788 636 HH21 ARG 79 1HH2 ARG 79 1.570 -4.752 12.364 637 HH22 ARG 79 2HH2 ARG 79 2.260 -3.244 11.982 638 H TYR 80 H TYR 80 -2.598 -9.430 6.282 639 HA TYR 80 HA TYR 80 -1.437 -11.046 8.366 640 HB2 TYR 80 2HB TYR 80 -3.488 -11.733 6.264 641 HB3 TYR 80 1HB TYR 80 -2.957 -12.841 7.519 642 HD1 TYR 80 2HD TYR 80 -3.382 -12.155 9.945 643 HD2 TYR 80 1HD TYR 80 -5.219 -10.231 6.639 644 HE1 TYR 80 2HE TYR 80 -5.137 -11.278 11.426 645 HE2 TYR 80 1HE TYR 80 -6.970 -9.360 8.100 646 HH TYR 80 HH TYR 80 -7.982 -9.905 10.193 647 H GLY 81 H GLY 81 -0.479 -10.336 5.265 648 HA2 GLY 81 2HA GLY 81 1.156 -11.198 3.920 649 HA3 GLY 81 1HA GLY 81 1.572 -12.279 5.246 650 H GLN 82 H GLN 82 -1.499 -12.042 3.543 651 HA GLN 82 HA GLN 82 -1.299 -14.902 2.973 652 HB2 GLN 82 2HB GLN 82 -3.642 -13.023 2.811 653 HB3 GLN 82 1HB GLN 82 -3.707 -14.748 2.479 654 HG2 GLN 82 2HG GLN 82 -3.050 -15.213 4.778 655 HG3 GLN 82 1HG GLN 82 -2.973 -13.487 5.111 656 HE21 GLN 82 1HE2 GLN 82 -5.436 -14.923 3.083 657 HE22 GLN 82 2HE2 GLN 82 -6.736 -14.669 4.175 658 H LEU 83 H LEU 83 -0.601 -12.105 1.411 659 HA LEU 83 HA LEU 83 -1.337 -13.234 -1.182 660 HB2 LEU 83 2HB LEU 83 -1.364 -10.348 -0.355 661 HB3 LEU 83 1HB LEU 83 -1.279 -10.825 -2.031 662 HG LEU 83 HG LEU 83 -3.514 -10.239 -1.584 663 HD11 LEU 83 1HD1 LEU 83 -3.382 -13.230 -1.612 664 HD12 LEU 83 2HD1 LEU 83 -3.292 -12.137 -2.995 665 HD13 LEU 83 3HD1 LEU 83 -4.773 -12.230 -2.047 666 HD21 LEU 83 3HD2 LEU 83 -3.447 -12.093 0.778 667 HD22 LEU 83 1HD2 LEU 83 -4.880 -11.254 0.170 668 HD23 LEU 83 2HD2 LEU 83 -3.518 -10.326 0.810 669 H SER 84 H SER 84 0.085 -13.386 -2.629 670 HA SER 84 HA SER 84 2.552 -11.883 -2.566 671 HB2 SER 84 2HB SER 84 2.488 -14.916 -2.735 672 HB3 SER 84 1HB SER 84 3.929 -13.915 -2.922 673 HG SER 84 HG SER 84 2.569 -13.288 -0.691 674 H GLU 85 H GLU 85 0.408 -14.212 -4.190 675 HA GLU 85 HA GLU 85 1.302 -13.353 -6.756 676 HB2 GLU 85 2HB GLU 85 -1.075 -15.042 -5.950 677 HB3 GLU 85 1HB GLU 85 -0.521 -14.782 -7.592 678 HG2 GLU 85 2HG GLU 85 1.028 -16.163 -5.415 679 HG3 GLU 85 1HG GLU 85 0.231 -16.937 -6.784 680 H LYS 86 H LYS 86 -0.380 -12.485 -8.278 681 HA LYS 86 HA LYS 86 -1.413 -10.191 -6.917 682 HB2 LYS 86 2HB LYS 86 -0.717 -10.781 -9.773 683 HB3 LYS 86 1HB LYS 86 -1.671 -9.371 -9.337 684 HG2 LYS 86 2HG LYS 86 0.707 -8.822 -9.585 685 HG3 LYS 86 1HG LYS 86 0.134 -8.543 -7.936 686 HD2 LYS 86 2HD LYS 86 1.104 -10.806 -7.357 687 HD3 LYS 86 1HD LYS 86 1.844 -10.811 -8.956 688 HE2 LYS 86 2HE LYS 86 3.109 -8.840 -8.419 689 HE3 LYS 86 1HE LYS 86 2.277 -8.677 -6.874 690 HZ1 LYS 86 3HZ LYS 86 3.281 -10.742 -6.143 691 HZ2 LYS 86 1HZ LYS 86 4.487 -9.681 -6.654 692 HZ3 LYS 86 2HZ LYS 86 4.006 -10.976 -7.624 693 H VAL 87 H VAL 87 -3.391 -9.602 -6.818 694 HA VAL 87 HA VAL 87 -5.426 -11.538 -7.472 695 HB VAL 87 HB VAL 87 -5.717 -8.811 -6.191 696 HG11 VAL 87 1HG1 VAL 87 -7.605 -11.156 -6.237 697 HG12 VAL 87 2HG1 VAL 87 -7.801 -9.645 -7.123 698 HG13 VAL 87 3HG1 VAL 87 -7.868 -9.646 -5.362 699 HG21 VAL 87 3HG2 VAL 87 -5.823 -9.996 -4.041 700 HG22 VAL 87 1HG2 VAL 87 -4.266 -10.216 -4.836 701 HG23 VAL 87 2HG2 VAL 87 -5.466 -11.511 -4.868 702 H SER 88 H SER 88 -6.388 -11.520 -9.344 703 HA SER 88 HA SER 88 -6.083 -9.395 -11.208 704 HB2 SER 88 2HB SER 88 -7.393 -11.024 -12.601 705 HB3 SER 88 1HB SER 88 -5.889 -11.663 -11.939 706 HG SER 88 HG SER 88 -8.052 -12.875 -11.723 707 H GLU 89 H GLU 89 -8.259 -9.018 -12.533 708 HA GLU 89 HA GLU 89 -9.963 -7.430 -11.025 709 HB2 GLU 89 2HB GLU 89 -10.289 -8.716 -13.725 710 HB3 GLU 89 1HB GLU 89 -11.393 -7.495 -13.084 711 HG2 GLU 89 2HG GLU 89 -9.707 -5.867 -13.139 712 HG3 GLU 89 1HG GLU 89 -8.450 -7.076 -13.386 713 H GLN 90 H GLN 90 -10.396 -10.736 -12.262 714 HA GLN 90 HA GLN 90 -13.019 -11.070 -11.310 715 HB2 GLN 90 2HB GLN 90 -10.904 -13.116 -11.921 716 HB3 GLN 90 1HB GLN 90 -12.548 -13.538 -11.469 717 HG2 GLN 90 2HG GLN 90 -11.636 -12.066 -13.935 718 HG3 GLN 90 1HG GLN 90 -12.384 -13.659 -13.835 719 HE21 GLN 90 1HE2 GLN 90 -12.890 -10.276 -13.899 720 HE22 GLN 90 2HE2 GLN 90 -14.607 -10.314 -13.946 721 H GLY 91 H GLY 91 -9.991 -11.310 -9.680 722 HA2 GLY 91 2HA GLY 91 -11.053 -12.685 -7.393 723 HA3 GLY 91 1HA GLY 91 -9.466 -11.936 -7.525 724 H LEU 92 H LEU 92 -10.206 -9.361 -8.252 725 HA LEU 92 HA LEU 92 -10.802 -8.273 -5.712 726 HB2 LEU 92 2HB LEU 92 -9.360 -7.151 -7.368 727 HB3 LEU 92 1HB LEU 92 -10.768 -6.873 -8.379 728 HG LEU 92 HG LEU 92 -11.753 -5.586 -6.439 729 HD11 LEU 92 1HD1 LEU 92 -8.956 -5.736 -5.402 730 HD12 LEU 92 2HD1 LEU 92 -10.413 -6.396 -4.653 731 HD13 LEU 92 3HD1 LEU 92 -10.212 -4.654 -4.811 732 HD21 LEU 92 3HD2 LEU 92 -10.492 -3.550 -6.952 733 HD22 LEU 92 1HD2 LEU 92 -10.861 -4.466 -8.411 734 HD23 LEU 92 2HD2 LEU 92 -9.239 -4.522 -7.723 735 H ILE 93 H ILE 93 -12.724 -8.789 -8.602 736 HA ILE 93 HA ILE 93 -15.004 -7.357 -7.844 737 HB ILE 93 HB ILE 93 -14.705 -9.816 -9.598 738 HG12 ILE 93 2HG1 ILE 93 -15.270 -6.921 -10.297 739 HG13 ILE 93 1HG1 ILE 93 -13.680 -7.662 -10.330 740 HG21 ILE 93 1HG2 ILE 93 -16.994 -9.413 -10.429 741 HG22 ILE 93 2HG2 ILE 93 -17.206 -8.161 -9.201 742 HG23 ILE 93 3HG2 ILE 93 -16.977 -9.840 -8.716 743 HD11 ILE 93 3HD1 ILE 93 -14.636 -7.487 -12.550 744 HD12 ILE 93 1HD1 ILE 93 -16.026 -8.455 -12.049 745 HD13 ILE 93 2HD1 ILE 93 -14.404 -9.166 -12.091 746 H GLU 94 H GLU 94 -13.881 -10.507 -6.884 747 HA GLU 94 HA GLU 94 -16.248 -11.378 -5.564 748 HB2 GLU 94 2HB GLU 94 -14.360 -12.857 -6.292 749 HB3 GLU 94 1HB GLU 94 -13.353 -12.137 -5.052 750 HG2 GLU 94 2HG GLU 94 -14.140 -14.288 -4.332 751 HG3 GLU 94 1HG GLU 94 -14.875 -13.024 -3.344 752 H ILE 95 H ILE 95 -13.420 -9.491 -4.656 753 HA ILE 95 HA ILE 95 -13.957 -9.250 -1.871 754 HB ILE 95 HB ILE 95 -12.479 -7.230 -3.597 755 HG12 ILE 95 2HG1 ILE 95 -11.537 -9.459 -4.029 756 HG13 ILE 95 1HG1 ILE 95 -10.408 -8.456 -3.136 757 HG21 ILE 95 1HG2 ILE 95 -11.236 -6.735 -1.565 758 HG22 ILE 95 2HG2 ILE 95 -12.259 -7.872 -0.684 759 HG23 ILE 95 3HG2 ILE 95 -12.967 -6.429 -1.399 760 HD11 ILE 95 3HD1 ILE 95 -10.399 -10.715 -2.339 761 HD12 ILE 95 1HD1 ILE 95 -12.139 -10.638 -2.031 762 HD13 ILE 95 2HD1 ILE 95 -11.031 -9.624 -1.093 763 H LEU 96 H LEU 96 -14.693 -7.372 -4.730 764 HA LEU 96 HA LEU 96 -15.950 -5.179 -3.598 765 HB2 LEU 96 2HB LEU 96 -15.281 -5.368 -5.969 766 HB3 LEU 96 1HB LEU 96 -16.563 -6.528 -6.222 767 HG LEU 96 HG LEU 96 -18.221 -4.758 -5.688 768 HD11 LEU 96 1HD1 LEU 96 -16.830 -3.325 -4.298 769 HD12 LEU 96 2HD1 LEU 96 -17.479 -2.418 -5.663 770 HD13 LEU 96 3HD1 LEU 96 -15.802 -2.956 -5.682 771 HD21 LEU 96 3HD2 LEU 96 -16.298 -4.117 -7.924 772 HD22 LEU 96 1HD2 LEU 96 -17.965 -3.551 -7.802 773 HD23 LEU 96 2HD2 LEU 96 -17.625 -5.271 -7.999 774 H LYS 97 H LYS 97 -17.250 -8.309 -4.562 775 HA LYS 97 HA LYS 97 -19.963 -7.764 -3.854 776 HB2 LYS 97 2HB LYS 97 -18.533 -10.424 -3.965 777 HB3 LYS 97 1HB LYS 97 -20.268 -10.196 -3.944 778 HG2 LYS 97 2HG LYS 97 -18.487 -9.222 -6.186 779 HG3 LYS 97 1HG LYS 97 -19.238 -10.805 -6.166 780 HD2 LYS 97 2HD LYS 97 -20.623 -9.478 -7.528 781 HD3 LYS 97 1HD LYS 97 -21.478 -9.570 -6.001 782 HE2 LYS 97 2HE LYS 97 -20.542 -7.248 -5.471 783 HE3 LYS 97 1HE LYS 97 -19.878 -7.249 -7.099 784 HZ1 LYS 97 3HZ LYS 97 -21.986 -6.089 -6.928 785 HZ2 LYS 97 1HZ LYS 97 -22.738 -7.498 -6.406 786 HZ3 LYS 97 2HZ LYS 97 -22.106 -7.413 -7.974 787 H LYS 98 H LYS 98 -17.229 -8.950 -2.038 788 HA LYS 98 HA LYS 98 -18.630 -9.760 0.284 789 HB2 LYS 98 2HB LYS 98 -16.063 -9.933 -0.582 790 HB3 LYS 98 1HB LYS 98 -15.915 -8.615 0.563 791 HG2 LYS 98 2HG LYS 98 -16.999 -10.139 2.265 792 HG3 LYS 98 1HG LYS 98 -16.778 -11.439 1.087 793 HD2 LYS 98 2HD LYS 98 -14.359 -10.715 0.991 794 HD3 LYS 98 1HD LYS 98 -14.676 -9.776 2.441 795 HE2 LYS 98 2HE LYS 98 -14.624 -12.773 2.101 796 HE3 LYS 98 1HE LYS 98 -13.808 -11.721 3.257 797 HZ1 LYS 98 3HZ LYS 98 -16.715 -12.365 3.313 798 HZ2 LYS 98 1HZ LYS 98 -15.920 -11.394 4.444 799 HZ3 LYS 98 2HZ LYS 98 -15.543 -13.011 4.309 800 H VAL 99 H VAL 99 -17.066 -6.720 -0.684 801 HA VAL 99 HA VAL 99 -17.796 -5.436 1.785 802 HB VAL 99 HB VAL 99 -16.779 -3.417 0.978 803 HG11 VAL 99 1HG1 VAL 99 -15.118 -5.823 0.287 804 HG12 VAL 99 2HG1 VAL 99 -15.285 -5.070 1.875 805 HG13 VAL 99 3HG1 VAL 99 -14.490 -4.197 0.564 806 HG21 VAL 99 3HG2 VAL 99 -16.457 -4.805 -1.671 807 HG22 VAL 99 1HG2 VAL 99 -15.805 -3.219 -1.256 808 HG23 VAL 99 2HG2 VAL 99 -17.554 -3.465 -1.334 809 H SER 100 H SER 100 -19.372 -5.887 -1.208 810 HA SER 100 HA SER 100 -21.082 -3.680 -1.037 811 HB2 SER 100 2HB SER 100 -21.468 -6.401 -2.307 812 HB3 SER 100 1HB SER 100 -22.579 -5.047 -2.509 813 HG SER 100 HG SER 100 -19.841 -5.148 -3.265 814 H GLN 101 H GLN 101 -20.816 -6.575 0.751 815 HA GLN 101 HA GLN 101 -23.518 -6.403 1.752 816 HB2 GLN 101 2HB GLN 101 -21.311 -8.343 2.432 817 HB3 GLN 101 1HB GLN 101 -22.958 -8.423 3.044 818 HG2 GLN 101 2HG GLN 101 -22.105 -8.685 0.170 819 HG3 GLN 101 1HG GLN 101 -22.660 -9.982 1.228 820 HE21 GLN 101 1HE2 GLN 101 -24.817 -10.112 1.732 821 HE22 GLN 101 2HE2 GLN 101 -26.038 -9.241 0.883 822 H GLN 102 H GLN 102 -20.463 -6.831 3.477 823 HA GLN 102 HA GLN 102 -21.606 -5.058 5.560 824 HB2 GLN 102 2HB GLN 102 -19.670 -7.315 5.915 825 HB3 GLN 102 1HB GLN 102 -20.285 -6.275 7.187 826 HG2 GLN 102 2HG GLN 102 -22.560 -7.116 6.688 827 HG3 GLN 102 1HG GLN 102 -21.833 -8.234 5.527 828 HE21 GLN 102 1HE2 GLN 102 -20.491 -9.890 6.290 829 HE22 GLN 102 2HE2 GLN 102 -20.539 -10.398 7.930 830 H THR 103 H THR 103 -18.759 -5.698 3.679 831 HA THR 103 HA THR 103 -16.716 -4.834 3.568 832 HB THR 103 HB THR 103 -17.868 -2.587 5.213 833 HG1 THR 103 1HG THR 103 -18.854 -2.717 3.215 834 HG21 THR 103 3HG2 THR 103 -15.436 -2.664 5.408 835 HG22 THR 103 1HG2 THR 103 -15.883 -1.268 4.416 836 HG23 THR 103 2HG2 THR 103 -15.265 -2.754 3.669 837 H GLU 104 H GLU 104 -15.567 -6.223 4.542 838 HA GLU 104 HA GLU 104 -15.867 -7.073 7.167 839 HB2 GLU 104 2HB GLU 104 -13.426 -7.569 5.442 840 HB3 GLU 104 1HB GLU 104 -14.135 -8.574 6.697 841 HG2 GLU 104 2HG GLU 104 -15.368 -7.951 4.019 842 HG3 GLU 104 1HG GLU 104 -14.530 -9.426 4.464 843 H LYS 105 H LYS 105 -15.533 -5.809 8.774 844 HA LYS 105 HA LYS 105 -14.710 -4.438 10.288 845 HB2 LYS 105 2HB LYS 105 -12.753 -6.186 10.059 846 HB3 LYS 105 1HB LYS 105 -11.893 -4.875 9.276 847 HG2 LYS 105 2HG LYS 105 -13.045 -4.700 12.062 848 HG3 LYS 105 1HG LYS 105 -11.400 -5.204 11.712 849 HD2 LYS 105 2HD LYS 105 -10.896 -3.051 10.777 850 HD3 LYS 105 1HD LYS 105 -12.579 -2.534 10.952 851 HE2 LYS 105 2HE LYS 105 -12.381 -2.729 13.377 852 HE3 LYS 105 1HE LYS 105 -10.727 -3.305 13.205 853 HZ1 LYS 105 3HZ LYS 105 -10.062 -1.224 12.343 854 HZ2 LYS 105 1HZ LYS 105 -10.910 -0.921 13.761 855 HZ3 LYS 105 2HZ LYS 105 -11.632 -0.651 12.238 856 H THR 106 H THR 106 -15.766 -2.788 9.343 857 HA THR 106 HA THR 106 -14.815 -1.259 7.151 858 HB THR 106 HB THR 106 -16.827 -0.438 9.144 859 HG1 THR 106 1HG THR 106 -16.887 -2.676 7.455 860 HG21 THR 106 3HG2 THR 106 -17.949 0.536 7.151 861 HG22 THR 106 1HG2 THR 106 -16.630 -0.068 6.151 862 HG23 THR 106 2HG2 THR 106 -16.317 1.162 7.375 863 H THR 107 H THR 107 -13.066 0.024 7.399 864 HA THR 107 HA THR 107 -13.195 2.156 9.378 865 HB THR 107 HB THR 107 -10.836 0.248 9.283 866 HG1 THR 107 1HG THR 107 -13.054 0.299 10.690 867 HG21 THR 107 3HG2 THR 107 -10.055 2.577 9.599 868 HG22 THR 107 1HG2 THR 107 -9.829 1.620 11.062 869 HG23 THR 107 2HG2 THR 107 -11.168 2.757 10.956 870 H THR 108 H THR 108 -11.835 0.813 6.456 871 HA THR 108 HA THR 108 -10.830 1.575 4.695 872 HB THR 108 HB THR 108 -11.418 4.333 5.741 873 HG1 THR 108 1HG THR 108 -13.377 3.361 5.484 874 HG21 THR 108 3HG2 THR 108 -10.855 3.361 2.925 875 HG22 THR 108 1HG2 THR 108 -9.764 4.320 3.917 876 HG23 THR 108 2HG2 THR 108 -11.279 5.018 3.355 877 H VAL 109 H VAL 109 -9.827 4.218 6.804 878 HA VAL 109 HA VAL 109 -7.421 3.183 7.736 879 HB VAL 109 HB VAL 109 -5.904 4.971 6.698 880 HG11 VAL 109 1HG1 VAL 109 -5.294 3.769 4.670 881 HG12 VAL 109 2HG1 VAL 109 -6.787 2.836 4.787 882 HG13 VAL 109 3HG1 VAL 109 -5.553 2.689 6.041 883 HG21 VAL 109 3HG2 VAL 109 -6.466 5.814 4.449 884 HG22 VAL 109 1HG2 VAL 109 -7.549 6.411 5.707 885 HG23 VAL 109 2HG2 VAL 109 -8.075 5.119 4.630 886 H LYS 110 H LYS 110 -6.250 5.108 8.821 887 HA LYS 110 HA LYS 110 -8.353 6.740 9.961 888 HB2 LYS 110 2HB LYS 110 -6.717 5.525 11.449 889 HB3 LYS 110 1HB LYS 110 -5.429 6.505 10.780 890 HG2 LYS 110 2HG LYS 110 -7.768 7.773 12.173 891 HG3 LYS 110 1HG LYS 110 -6.419 7.117 13.090 892 HD2 LYS 110 2HD LYS 110 -4.889 8.652 12.028 893 HD3 LYS 110 1HD LYS 110 -6.148 9.193 10.916 894 HE2 LYS 110 2HE LYS 110 -6.256 9.517 13.915 895 HE3 LYS 110 1HE LYS 110 -5.729 10.773 12.795 896 HZ1 LYS 110 3HZ LYS 110 -8.444 9.547 12.914 897 HZ2 LYS 110 1HZ LYS 110 -7.915 10.641 11.736 898 HZ3 LYS 110 2HZ LYS 110 -8.017 11.116 13.335 899 H PHE 111 H PHE 111 -8.834 8.424 8.780 900 HA PHE 111 HA PHE 111 -6.832 9.832 7.234 901 HB2 PHE 111 2HB PHE 111 -9.810 10.281 7.512 902 HB3 PHE 111 1HB PHE 111 -8.749 11.250 6.509 903 HD1 PHE 111 1HD PHE 111 -7.554 10.120 4.591 904 HD2 PHE 111 2HD PHE 111 -10.761 8.324 6.714 905 HE1 PHE 111 1HE PHE 111 -7.976 8.634 2.679 906 HE2 PHE 111 2HE PHE 111 -11.190 6.823 4.817 907 HZ PHE 111 HZ PHE 111 -9.795 6.976 2.791 908 H ASN 112 H ASN 112 -7.069 12.289 7.268 909 HA ASN 112 HA ASN 112 -7.739 13.566 9.705 910 HB2 ASN 112 2HB ASN 112 -5.507 12.698 10.352 911 HB3 ASN 112 1HB ASN 112 -4.811 13.405 8.899 912 HD21 ASN 112 1HD2 ASN 112 -7.242 14.952 10.938 913 HD22 ASN 112 2HD2 ASN 112 -6.230 16.238 11.462 Start of MODEL 16 1 H1 GLY 0 1HT GLY 0 25.510 35.137 22.924 2 H2 GLY 0 2HT GLY 0 26.180 34.820 21.395 3 H3 GLY 0 3HT GLY 0 24.768 34.025 21.906 4 HA2 GLY 0 1HA GLY 0 24.932 36.933 21.489 5 HA3 GLY 0 2HA GLY 0 24.232 35.786 20.353 6 H SER 1 H SER 1 22.083 35.733 20.490 7 HA SER 1 HA SER 1 20.803 36.587 22.921 8 HB2 SER 1 2HB SER 1 19.502 35.420 20.474 9 HB3 SER 1 1HB SER 1 18.820 36.545 21.644 10 HG SER 1 HG SER 1 19.710 37.156 19.441 11 H ALA 2 H ALA 2 20.939 35.063 24.459 12 HA ALA 2 HA ALA 2 21.254 32.367 24.368 13 HB1 ALA 2 1HB ALA 2 20.293 32.251 26.608 14 HB2 ALA 2 2HB ALA 2 19.545 33.828 26.383 15 HB3 ALA 2 3HB ALA 2 21.302 33.687 26.439 16 H ASP 3 H ASP 3 18.216 34.099 24.190 17 HA ASP 3 HA ASP 3 16.405 31.987 24.137 18 HB2 ASP 3 2HB ASP 3 15.615 34.246 24.319 19 HB3 ASP 3 1HB ASP 3 16.308 34.666 22.758 20 H GLU 4 H GLU 4 17.866 33.651 21.392 21 HA GLU 4 HA GLU 4 16.686 32.039 19.406 22 HB2 GLU 4 2HB GLU 4 19.205 33.685 19.249 23 HB3 GLU 4 1HB GLU 4 18.385 32.965 17.880 24 HG2 GLU 4 2HG GLU 4 16.406 34.341 18.371 25 HG3 GLU 4 1HG GLU 4 17.294 35.100 19.694 26 H GLU 5 H GLU 5 19.893 31.940 20.898 27 HA GLU 5 HA GLU 5 20.726 29.806 19.269 28 HB2 GLU 5 2HB GLU 5 22.744 29.687 20.766 29 HB3 GLU 5 1HB GLU 5 22.392 31.280 20.117 30 HG2 GLU 5 2HG GLU 5 21.351 31.864 22.272 31 HG3 GLU 5 1HG GLU 5 21.945 30.329 22.913 32 H LEU 6 H LEU 6 19.039 29.860 22.279 33 HA LEU 6 HA LEU 6 19.334 27.082 22.816 34 HB2 LEU 6 2HB LEU 6 18.718 28.774 24.527 35 HB3 LEU 6 1HB LEU 6 17.194 29.016 23.705 36 HG LEU 6 HG LEU 6 16.758 26.546 24.127 37 HD11 LEU 6 1HD1 LEU 6 19.001 25.878 24.682 38 HD12 LEU 6 2HD1 LEU 6 17.905 25.549 26.024 39 HD13 LEU 6 3HD1 LEU 6 18.995 26.934 26.093 40 HD21 LEU 6 3HD2 LEU 6 15.913 26.965 26.352 41 HD22 LEU 6 1HD2 LEU 6 15.611 28.348 25.305 42 HD23 LEU 6 2HD2 LEU 6 16.926 28.402 26.487 43 H GLU 7 H GLU 7 16.832 29.146 21.425 44 HA GLU 7 HA GLU 7 14.855 27.256 20.921 45 HB2 GLU 7 2HB GLU 7 14.618 29.738 20.942 46 HB3 GLU 7 1HB GLU 7 15.432 29.791 19.390 47 HG2 GLU 7 2HG GLU 7 13.036 29.990 19.139 48 HG3 GLU 7 1HG GLU 7 13.629 28.503 18.399 49 H ALA 8 H ALA 8 17.376 28.508 18.804 50 HA ALA 8 HA ALA 8 16.659 27.119 16.478 51 HB1 ALA 8 1HB ALA 8 19.411 28.043 17.276 52 HB2 ALA 8 2HB ALA 8 18.183 29.063 16.542 53 HB3 ALA 8 3HB ALA 8 18.854 27.703 15.636 54 H LEU 9 H LEU 9 18.728 26.202 19.160 55 HA LEU 9 HA LEU 9 19.781 23.929 17.859 56 HB2 LEU 9 2HB LEU 9 20.931 25.115 19.724 57 HB3 LEU 9 1HB LEU 9 19.690 24.565 20.821 58 HG LEU 9 HG LEU 9 21.410 22.567 19.356 59 HD11 LEU 9 1HD1 LEU 9 22.074 23.973 21.943 60 HD12 LEU 9 2HD1 LEU 9 22.944 24.147 20.420 61 HD13 LEU 9 3HD1 LEU 9 22.943 22.597 21.263 62 HD21 LEU 9 3HD2 LEU 9 20.031 22.538 22.047 63 HD22 LEU 9 1HD2 LEU 9 20.951 21.209 21.344 64 HD23 LEU 9 2HD2 LEU 9 19.452 21.747 20.584 65 H ARG 10 H ARG 10 17.104 24.445 20.093 66 HA ARG 10 HA ARG 10 16.318 21.744 20.274 67 HB2 ARG 10 2HB ARG 10 15.436 23.373 21.853 68 HB3 ARG 10 1HB ARG 10 14.650 24.253 20.544 69 HG2 ARG 10 2HG ARG 10 13.227 22.313 20.094 70 HG3 ARG 10 1HG ARG 10 13.998 21.443 21.413 71 HD2 ARG 10 2HD ARG 10 13.144 23.070 23.001 72 HD3 ARG 10 1HD ARG 10 12.428 24.005 21.685 73 HE ARG 10 HE ARG 10 11.578 21.290 21.679 74 HH11 ARG 10 1HH1 ARG 10 10.922 24.394 23.277 75 HH12 ARG 10 2HH1 ARG 10 9.293 24.037 23.570 76 HH21 ARG 10 1HH2 ARG 10 9.375 20.824 22.070 77 HH22 ARG 10 2HH2 ARG 10 8.368 21.931 22.863 78 H ARG 11 H ARG 11 15.338 24.369 18.138 79 HA ARG 11 HA ARG 11 13.504 22.864 16.705 80 HB2 ARG 11 2HB ARG 11 14.697 25.515 16.376 81 HB3 ARG 11 1HB ARG 11 14.141 24.765 14.881 82 HG2 ARG 11 2HG ARG 11 11.920 24.510 15.764 83 HG3 ARG 11 1HG ARG 11 12.452 25.047 17.356 84 HD2 ARG 11 2HD ARG 11 12.677 27.258 16.669 85 HD3 ARG 11 1HD ARG 11 12.772 26.816 14.967 86 HE ARG 11 HE ARG 11 10.485 26.614 14.871 87 HH11 ARG 11 1HH1 ARG 11 11.298 27.327 18.293 88 HH12 ARG 11 2HH1 ARG 11 9.806 28.048 18.586 89 HH21 ARG 11 1HH2 ARG 11 8.435 27.568 15.384 90 HH22 ARG 11 2HH2 ARG 11 8.129 28.147 16.960 91 H GLN 12 H GLN 12 16.939 23.079 16.306 92 HA GLN 12 HA GLN 12 17.124 21.867 13.780 93 HB2 GLN 12 2HB GLN 12 19.052 22.871 14.994 94 HB3 GLN 12 1HB GLN 12 19.000 21.538 16.134 95 HG2 GLN 12 2HG GLN 12 19.446 19.976 14.271 96 HG3 GLN 12 1HG GLN 12 19.611 21.361 13.196 97 HE21 GLN 12 1HE2 GLN 12 21.012 19.596 15.787 98 HE22 GLN 12 2HE2 GLN 12 22.575 20.311 15.729 99 H ARG 13 H ARG 13 16.868 20.511 17.019 100 HA ARG 13 HA ARG 13 17.022 17.771 16.334 101 HB2 ARG 13 2HB ARG 13 17.377 18.792 18.623 102 HB3 ARG 13 1HB ARG 13 15.661 19.098 18.713 103 HG2 ARG 13 2HG ARG 13 16.903 16.342 18.575 104 HG3 ARG 13 1HG ARG 13 16.467 17.159 20.069 105 HD2 ARG 13 2HD ARG 13 14.106 17.252 19.188 106 HD3 ARG 13 1HD ARG 13 14.629 16.213 17.868 107 HE ARG 13 HE ARG 13 15.002 15.370 20.647 108 HH11 ARG 13 1HH1 ARG 13 13.621 14.724 17.458 109 HH12 ARG 13 2HH1 ARG 13 12.879 13.266 17.927 110 HH21 ARG 13 1HH2 ARG 13 14.023 13.365 21.256 111 HH22 ARG 13 2HH2 ARG 13 13.116 12.465 20.126 112 H LEU 14 H LEU 14 14.427 20.066 16.743 113 HA LEU 14 HA LEU 14 12.242 18.344 16.354 114 HB2 LEU 14 2HB LEU 14 12.155 20.565 17.445 115 HB3 LEU 14 1HB LEU 14 12.558 21.316 15.930 116 HG LEU 14 HG LEU 14 10.175 21.551 16.743 117 HD11 LEU 14 1HD1 LEU 14 10.812 22.087 14.482 118 HD12 LEU 14 2HD1 LEU 14 9.203 21.381 14.544 119 HD13 LEU 14 3HD1 LEU 14 10.574 20.405 14.002 120 HD21 LEU 14 3HD2 LEU 14 8.633 19.711 16.258 121 HD22 LEU 14 1HD2 LEU 14 9.808 19.264 17.494 122 HD23 LEU 14 2HD2 LEU 14 9.997 18.676 15.841 123 H ALA 15 H ALA 15 14.405 19.939 14.110 124 HA ALA 15 HA ALA 15 12.758 19.635 11.828 125 HB1 ALA 15 1HB ALA 15 15.737 20.079 11.986 126 HB2 ALA 15 2HB ALA 15 14.510 21.344 11.968 127 HB3 ALA 15 3HB ALA 15 14.726 20.306 10.558 128 H GLU 16 H GLU 16 15.142 17.703 13.455 129 HA GLU 16 HA GLU 16 15.403 15.800 11.348 130 HB2 GLU 16 2HB GLU 16 16.221 15.705 14.239 131 HB3 GLU 16 1HB GLU 16 16.668 14.498 13.036 132 HG2 GLU 16 2HG GLU 16 17.342 17.407 12.926 133 HG3 GLU 16 1HG GLU 16 18.436 16.149 13.475 134 H LEU 17 H LEU 17 13.473 16.233 14.148 135 HA LEU 17 HA LEU 17 12.322 13.680 14.402 136 HB2 LEU 17 2HB LEU 17 12.262 15.686 16.005 137 HB3 LEU 17 1HB LEU 17 11.003 16.341 14.995 138 HG LEU 17 HG LEU 17 10.761 13.736 16.525 139 HD11 LEU 17 1HD1 LEU 17 9.394 15.019 18.090 140 HD12 LEU 17 2HD1 LEU 17 9.805 16.502 17.226 141 HD13 LEU 17 3HD1 LEU 17 11.064 15.581 18.054 142 HD21 LEU 17 3HD2 LEU 17 8.354 14.021 16.167 143 HD22 LEU 17 1HD2 LEU 17 9.204 13.929 14.624 144 HD23 LEU 17 2HD2 LEU 17 8.655 15.489 15.239 145 H GLN 18 H GLN 18 11.671 16.461 12.453 146 HA GLN 18 HA GLN 18 10.809 16.764 10.427 147 HB2 GLN 18 2HB GLN 18 9.987 13.866 10.433 148 HB3 GLN 18 1HB GLN 18 9.782 14.955 9.076 149 HG2 GLN 18 2HG GLN 18 12.238 15.255 8.992 150 HG3 GLN 18 1HG GLN 18 12.392 14.079 10.296 151 HE21 GLN 18 1HE2 GLN 18 13.557 12.670 9.036 152 HE22 GLN 18 2HE2 GLN 18 12.847 11.715 7.792 153 H ALA 19 H ALA 19 8.701 15.106 12.668 154 HA ALA 19 HA ALA 19 6.406 16.429 11.537 155 HB1 ALA 19 1HB ALA 19 5.152 15.481 13.438 156 HB2 ALA 19 2HB ALA 19 6.662 14.933 14.163 157 HB3 ALA 19 3HB ALA 19 6.115 14.240 12.638 158 H LYS 20 H LYS 20 6.997 18.537 11.558 159 HA LYS 20 HA LYS 20 7.958 19.837 13.920 160 HB2 LYS 20 2HB LYS 20 6.952 21.077 11.382 161 HB3 LYS 20 1HB LYS 20 7.994 21.805 12.589 162 HG2 LYS 20 2HG LYS 20 9.717 20.053 11.966 163 HG3 LYS 20 1HG LYS 20 8.678 19.660 10.595 164 HD2 LYS 20 2HD LYS 20 9.969 22.325 11.196 165 HD3 LYS 20 1HD LYS 20 10.391 21.226 9.889 166 HE2 LYS 20 2HE LYS 20 7.713 22.604 10.181 167 HE3 LYS 20 1HE LYS 20 9.023 23.193 9.177 168 HZ1 LYS 20 3HZ LYS 20 8.854 21.275 7.796 169 HZ2 LYS 20 1HZ LYS 20 7.328 21.933 7.958 170 HZ3 LYS 20 2HZ LYS 20 7.710 20.537 8.796 171 H HIS 21 H HIS 21 5.053 19.554 12.089 172 HA HIS 21 HA HIS 21 2.963 20.267 12.241 173 HB2 HIS 21 2HB HIS 21 3.140 19.093 14.501 174 HB3 HIS 21 1HB HIS 21 3.461 20.671 15.203 175 HD1 HIS 21 1HD HIS 21 1.440 21.816 16.088 176 HD2 HIS 21 2HD HIS 21 0.512 19.082 13.100 177 HE1 HIS 21 1HE HIS 21 -1.071 21.768 15.956 178 HE2 HIS 21 2HE HIS 21 -1.563 19.877 14.365 179 H GLY 22 H GLY 22 3.836 22.002 10.987 180 HA2 GLY 22 2HA GLY 22 3.608 24.581 12.365 181 HA3 GLY 22 1HA GLY 22 4.995 24.249 11.332 182 H ASP 23 H ASP 23 1.721 23.255 10.837 183 HA ASP 23 HA ASP 23 1.562 24.865 8.372 184 HB2 ASP 23 2HB ASP 23 -0.047 23.256 7.564 185 HB3 ASP 23 1HB ASP 23 1.215 22.295 8.306 186 HA PRO 24 HA PRO 24 -1.771 27.470 9.938 187 HB2 PRO 24 2HB PRO 24 -3.792 25.869 8.416 188 HB3 PRO 24 1HB PRO 24 -3.606 27.626 8.524 189 HG2 PRO 24 2HG PRO 24 -2.764 26.377 6.368 190 HG3 PRO 24 1HG PRO 24 -1.760 27.646 7.097 191 HD2 PRO 24 2HD PRO 24 -1.450 24.686 7.208 192 HD3 PRO 24 1HD PRO 24 -0.197 25.937 7.085 193 H GLY 25 H GLY 25 -2.443 23.978 10.038 194 HA2 GLY 25 2HA GLY 25 -2.697 23.271 12.425 195 HA3 GLY 25 1HA GLY 25 -4.015 24.438 12.479 196 H ASP 26 H ASP 26 -4.655 23.750 9.679 197 HA ASP 26 HA ASP 26 -6.146 21.296 10.311 198 HB2 ASP 26 2HB ASP 26 -7.525 23.259 10.070 199 HB3 ASP 26 1HB ASP 26 -6.906 23.525 8.439 200 H ALA 27 H ALA 27 -3.830 22.636 8.195 201 HA ALA 27 HA ALA 27 -4.388 21.061 5.895 202 HB1 ALA 27 1HB ALA 27 -1.810 22.391 6.748 203 HB2 ALA 27 2HB ALA 27 -3.078 23.155 5.794 204 HB3 ALA 27 3HB ALA 27 -2.176 21.794 5.128 205 H ALA 28 H ALA 28 -2.763 20.627 8.848 206 HA ALA 28 HA ALA 28 -1.129 18.459 8.463 207 HB1 ALA 28 1HB ALA 28 -1.310 19.693 10.562 208 HB2 ALA 28 2HB ALA 28 -1.480 17.954 10.821 209 HB3 ALA 28 3HB ALA 28 -2.904 18.993 10.838 210 H GLN 29 H GLN 29 -4.692 18.400 9.056 211 HA GLN 29 HA GLN 29 -4.765 15.581 9.140 212 HB2 GLN 29 2HB GLN 29 -7.186 15.683 9.063 213 HB3 GLN 29 1HB GLN 29 -6.615 16.977 10.097 214 HG2 GLN 29 2HG GLN 29 -7.096 18.617 8.452 215 HG3 GLN 29 1HG GLN 29 -7.377 17.389 7.221 216 HE21 GLN 29 1HE2 GLN 29 -8.674 18.982 9.999 217 HE22 GLN 29 2HE2 GLN 29 -10.294 18.435 9.813 218 H GLN 30 H GLN 30 -5.019 17.878 6.562 219 HA GLN 30 HA GLN 30 -5.977 16.127 4.538 220 HB2 GLN 30 2HB GLN 30 -4.293 18.609 4.290 221 HB3 GLN 30 1HB GLN 30 -5.153 17.822 2.980 222 HG2 GLN 30 2HG GLN 30 -7.264 18.333 4.029 223 HG3 GLN 30 1HG GLN 30 -6.418 19.062 5.397 224 HE21 GLN 30 1HE2 GLN 30 -7.233 19.389 2.052 225 HE22 GLN 30 2HE2 GLN 30 -6.794 21.050 1.924 226 H GLU 31 H GLU 31 -2.795 17.149 5.608 227 HA GLU 31 HA GLU 31 -1.289 15.835 3.624 228 HB2 GLU 31 2HB GLU 31 -0.411 17.606 5.155 229 HB3 GLU 31 1HB GLU 31 -0.492 16.442 6.467 230 HG2 GLU 31 2HG GLU 31 1.077 14.999 5.224 231 HG3 GLU 31 1HG GLU 31 1.228 16.276 4.018 232 H ALA 32 H ALA 32 -2.221 14.929 6.900 233 HA ALA 32 HA ALA 32 -1.008 12.411 6.933 234 HB1 ALA 32 1HB ALA 32 -1.817 13.530 8.956 235 HB2 ALA 32 2HB ALA 32 -2.493 11.907 8.813 236 HB3 ALA 32 3HB ALA 32 -3.480 13.313 8.411 237 H LYS 33 H LYS 33 -4.255 13.413 5.942 238 HA LYS 33 HA LYS 33 -5.177 10.797 5.434 239 HB2 LYS 33 2HB LYS 33 -6.680 12.758 5.790 240 HB3 LYS 33 1HB LYS 33 -6.188 13.379 4.221 241 HG2 LYS 33 2HG LYS 33 -8.320 12.289 4.018 242 HG3 LYS 33 1HG LYS 33 -7.076 11.349 3.169 243 HD2 LYS 33 2HD LYS 33 -6.860 9.895 5.172 244 HD3 LYS 33 1HD LYS 33 -8.196 10.775 5.907 245 HE2 LYS 33 2HE LYS 33 -9.678 10.003 4.174 246 HE3 LYS 33 1HE LYS 33 -8.331 9.233 3.331 247 HZ1 LYS 33 3HZ LYS 33 -9.472 7.582 4.591 248 HZ2 LYS 33 1HZ LYS 33 -9.392 8.513 6.003 249 HZ3 LYS 33 2HZ LYS 33 -7.982 7.871 5.349 250 H HIS 34 H HIS 34 -3.691 13.262 3.385 251 HA HIS 34 HA HIS 34 -3.879 11.840 0.965 252 HB2 HIS 34 2HB HIS 34 -3.317 14.210 0.950 253 HB3 HIS 34 1HB HIS 34 -1.844 13.910 1.863 254 HD1 HIS 34 1HD HIS 34 0.205 13.870 0.434 255 HD2 HIS 34 2HD HIS 34 -3.183 12.722 -1.689 256 HE1 HIS 34 1HE HIS 34 0.989 13.416 -1.877 257 HE2 HIS 34 2HE HIS 34 -1.105 13.021 -3.187 258 H ARG 35 H ARG 35 -1.470 11.919 3.511 259 HA ARG 35 HA ARG 35 0.399 10.238 2.272 260 HB2 ARG 35 2HB ARG 35 0.918 11.746 4.134 261 HB3 ARG 35 1HB ARG 35 -0.089 10.789 5.198 262 HG2 ARG 35 2HG ARG 35 1.441 8.945 5.082 263 HG3 ARG 35 1HG ARG 35 2.383 9.751 3.829 264 HD2 ARG 35 2HD ARG 35 3.454 9.970 6.019 265 HD3 ARG 35 1HD ARG 35 2.963 11.529 5.377 266 HE ARG 35 HE ARG 35 1.495 10.060 7.465 267 HH11 ARG 35 1HH1 ARG 35 2.505 13.136 5.981 268 HH12 ARG 35 2HH1 ARG 35 2.013 14.100 7.273 269 HH21 ARG 35 1HH2 ARG 35 0.818 11.432 9.313 270 HH22 ARG 35 2HH2 ARG 35 1.027 13.102 9.221 271 H GLU 36 H GLU 36 -2.483 9.580 4.187 272 HA GLU 36 HA GLU 36 -2.107 6.816 4.601 273 HB2 GLU 36 2HB GLU 36 -4.646 8.358 4.067 274 HB3 GLU 36 1HB GLU 36 -4.594 6.677 4.536 275 HG2 GLU 36 2HG GLU 36 -3.652 7.294 6.680 276 HG3 GLU 36 1HG GLU 36 -3.647 8.991 6.185 277 H ALA 37 H ALA 37 -3.930 8.518 2.089 278 HA ALA 37 HA ALA 37 -4.584 6.244 0.550 279 HB1 ALA 37 1HB ALA 37 -4.421 9.105 -0.368 280 HB2 ALA 37 2HB ALA 37 -5.786 8.406 0.499 281 HB3 ALA 37 3HB ALA 37 -5.362 7.802 -1.101 282 H GLU 38 H GLU 38 -1.964 8.514 0.289 283 HA GLU 38 HA GLU 38 -0.882 7.666 -2.146 284 HB2 GLU 38 2HB GLU 38 -0.396 9.694 -0.496 285 HB3 GLU 38 1HB GLU 38 0.839 8.611 0.113 286 HG2 GLU 38 2HG GLU 38 0.609 9.608 -2.716 287 HG3 GLU 38 1HG GLU 38 1.707 10.227 -1.492 288 H MET 39 H MET 39 -0.116 6.731 1.180 289 HA MET 39 HA MET 39 1.828 4.795 0.464 290 HB2 MET 39 2HB MET 39 1.729 5.886 2.696 291 HB3 MET 39 1HB MET 39 0.261 4.990 3.042 292 HG2 MET 39 2HG MET 39 1.501 2.889 2.874 293 HG3 MET 39 1HG MET 39 2.973 3.790 2.522 294 HE1 MET 39 3HE MET 39 3.672 2.473 6.130 295 HE2 MET 39 1HE MET 39 4.277 2.593 4.477 296 HE3 MET 39 2HE MET 39 2.837 1.634 4.824 297 H ARG 40 H ARG 40 -1.617 4.562 1.280 298 HA ARG 40 HA ARG 40 -1.909 1.765 1.272 299 HB2 ARG 40 2HB ARG 40 -3.931 3.763 0.222 300 HB3 ARG 40 1HB ARG 40 -4.267 2.104 0.667 301 HG2 ARG 40 2HG ARG 40 -3.738 2.638 2.996 302 HG3 ARG 40 1HG ARG 40 -3.409 4.305 2.526 303 HD2 ARG 40 2HD ARG 40 -5.743 4.410 1.610 304 HD3 ARG 40 1HD ARG 40 -6.041 2.847 2.366 305 HE ARG 40 HE ARG 40 -5.303 5.287 3.830 306 HH11 ARG 40 1HH1 ARG 40 -7.172 2.282 3.680 307 HH12 ARG 40 2HH1 ARG 40 -7.981 2.576 5.158 308 HH21 ARG 40 1HH2 ARG 40 -6.503 5.694 5.837 309 HH22 ARG 40 2HH2 ARG 40 -7.584 4.495 6.371 310 H ASN 41 H ASN 41 -2.341 4.089 -1.336 311 HA ASN 41 HA ASN 41 -2.894 2.113 -3.232 312 HB2 ASN 41 2HB ASN 41 -2.512 5.041 -3.341 313 HB3 ASN 41 1HB ASN 41 -2.477 4.143 -4.885 314 HD21 ASN 41 1HD2 ASN 41 -4.342 5.139 -2.159 315 HD22 ASN 41 2HD2 ASN 41 -5.886 4.583 -2.716 316 H SER 42 H SER 42 0.115 3.450 -2.199 317 HA SER 42 HA SER 42 1.586 2.489 -4.381 318 HB2 SER 42 2HB SER 42 2.406 3.045 -1.532 319 HB3 SER 42 1HB SER 42 3.524 2.713 -2.857 320 HG SER 42 HG SER 42 1.692 4.895 -2.678 321 H ILE 43 H ILE 43 0.566 0.983 -1.291 322 HA ILE 43 HA ILE 43 2.016 -1.391 -1.957 323 HB ILE 43 HB ILE 43 1.190 -2.495 -0.010 324 HG12 ILE 43 2HG1 ILE 43 -0.968 -0.346 0.377 325 HG13 ILE 43 1HG1 ILE 43 -1.238 -1.970 -0.228 326 HG21 ILE 43 1HG2 ILE 43 1.645 -0.923 1.807 327 HG22 ILE 43 2HG2 ILE 43 1.563 0.401 0.642 328 HG23 ILE 43 3HG2 ILE 43 2.811 -0.836 0.485 329 HD11 ILE 43 3HD1 ILE 43 -0.504 -2.883 1.902 330 HD12 ILE 43 1HD1 ILE 43 -1.843 -1.755 2.106 331 HD13 ILE 43 2HD1 ILE 43 -0.199 -1.252 2.499 332 H LEU 44 H LEU 44 -1.234 -0.284 -2.298 333 HA LEU 44 HA LEU 44 -2.494 -2.614 -3.169 334 HB2 LEU 44 2HB LEU 44 -3.019 0.177 -4.184 335 HB3 LEU 44 1HB LEU 44 -4.092 -1.190 -4.335 336 HG LEU 44 HG LEU 44 -3.356 0.270 -1.812 337 HD11 LEU 44 1HD1 LEU 44 -4.958 1.427 -3.199 338 HD12 LEU 44 2HD1 LEU 44 -5.721 0.806 -1.735 339 HD13 LEU 44 3HD1 LEU 44 -5.962 -0.022 -3.272 340 HD21 LEU 44 3HD2 LEU 44 -4.956 -1.230 -0.688 341 HD22 LEU 44 1HD2 LEU 44 -3.537 -2.085 -1.300 342 HD23 LEU 44 2HD2 LEU 44 -5.065 -2.174 -2.173 343 H ALA 45 H ALA 45 -0.651 -0.213 -5.003 344 HA ALA 45 HA ALA 45 -1.129 -1.266 -7.564 345 HB1 ALA 45 1HB ALA 45 -0.275 0.993 -7.138 346 HB2 ALA 45 2HB ALA 45 0.726 0.105 -8.287 347 HB3 ALA 45 3HB ALA 45 1.262 0.301 -6.618 348 H GLN 46 H GLN 46 0.921 -2.374 -5.069 349 HA GLN 46 HA GLN 46 2.604 -3.873 -6.894 350 HB2 GLN 46 2HB GLN 46 2.575 -3.862 -3.878 351 HB3 GLN 46 1HB GLN 46 3.789 -4.626 -4.893 352 HG2 GLN 46 2HG GLN 46 3.234 -1.674 -4.682 353 HG3 GLN 46 1HG GLN 46 4.612 -2.533 -3.998 354 HE21 GLN 46 1HE2 GLN 46 4.532 -0.324 -5.869 355 HE22 GLN 46 2HE2 GLN 46 5.372 -0.861 -7.279 356 H VAL 47 H VAL 47 -0.060 -4.395 -4.676 357 HA VAL 47 HA VAL 47 0.139 -7.275 -5.065 358 HB VAL 47 HB VAL 47 -1.662 -7.518 -3.433 359 HG11 VAL 47 1HG1 VAL 47 -0.513 -6.610 -1.458 360 HG12 VAL 47 2HG1 VAL 47 0.475 -5.609 -2.520 361 HG13 VAL 47 3HG1 VAL 47 0.606 -7.366 -2.596 362 HG21 VAL 47 3HG2 VAL 47 -2.577 -5.572 -2.224 363 HG22 VAL 47 1HG2 VAL 47 -2.978 -5.525 -3.944 364 HG23 VAL 47 2HG2 VAL 47 -1.687 -4.502 -3.309 365 H LEU 48 H LEU 48 -1.841 -4.661 -6.158 366 HA LEU 48 HA LEU 48 -3.750 -6.456 -7.404 367 HB2 LEU 48 2HB LEU 48 -3.363 -3.477 -7.592 368 HB3 LEU 48 1HB LEU 48 -4.654 -4.379 -8.363 369 HG LEU 48 HG LEU 48 -4.288 -4.306 -5.356 370 HD11 LEU 48 1HD1 LEU 48 -4.584 -2.029 -6.209 371 HD12 LEU 48 2HD1 LEU 48 -6.011 -2.584 -5.329 372 HD13 LEU 48 3HD1 LEU 48 -6.013 -2.553 -7.093 373 HD21 LEU 48 3HD2 LEU 48 -6.635 -4.948 -5.369 374 HD22 LEU 48 1HD2 LEU 48 -5.668 -6.117 -6.284 375 HD23 LEU 48 2HD2 LEU 48 -6.630 -4.891 -7.128 376 H ASP 49 H ASP 49 -3.410 -7.257 -9.344 377 HA ASP 49 HA ASP 49 -1.243 -6.286 -10.931 378 HB2 ASP 49 2HB ASP 49 -2.050 -8.713 -10.907 379 HB3 ASP 49 1HB ASP 49 -3.422 -8.174 -11.862 380 H GLN 50 H GLN 50 -1.971 -5.993 -13.430 381 HA GLN 50 HA GLN 50 -2.605 -3.348 -13.622 382 HB2 GLN 50 2HB GLN 50 -2.973 -5.460 -15.717 383 HB3 GLN 50 1HB GLN 50 -2.859 -3.734 -16.004 384 HG2 GLN 50 2HG GLN 50 -0.569 -3.770 -15.077 385 HG3 GLN 50 1HG GLN 50 -0.712 -5.513 -14.874 386 HE21 GLN 50 1HE2 GLN 50 -0.420 -2.931 -17.141 387 HE22 GLN 50 2HE2 GLN 50 -0.012 -3.906 -18.509 388 H SER 51 H SER 51 -4.809 -6.052 -14.214 389 HA SER 51 HA SER 51 -6.901 -4.355 -15.137 390 HB2 SER 51 2HB SER 51 -6.959 -7.265 -14.339 391 HB3 SER 51 1HB SER 51 -8.249 -6.426 -15.205 392 HG SER 51 HG SER 51 -6.856 -6.102 -16.904 393 H ALA 52 H ALA 52 -6.262 -6.060 -12.104 394 HA ALA 52 HA ALA 52 -8.653 -5.361 -10.816 395 HB1 ALA 52 1HB ALA 52 -7.510 -5.982 -8.753 396 HB2 ALA 52 2HB ALA 52 -5.957 -5.917 -9.580 397 HB3 ALA 52 3HB ALA 52 -7.137 -7.144 -10.029 398 H ARG 53 H ARG 53 -5.487 -3.849 -11.003 399 HA ARG 53 HA ARG 53 -5.866 -1.749 -9.203 400 HB2 ARG 53 2HB ARG 53 -3.720 -2.554 -10.230 401 HB3 ARG 53 1HB ARG 53 -4.206 -1.777 -11.703 402 HG2 ARG 53 2HG ARG 53 -2.642 -0.378 -10.504 403 HG3 ARG 53 1HG ARG 53 -4.222 0.391 -10.663 404 HD2 ARG 53 2HD ARG 53 -4.726 -0.412 -8.309 405 HD3 ARG 53 1HD ARG 53 -3.054 -0.926 -8.220 406 HE ARG 53 HE ARG 53 -2.584 1.508 -8.871 407 HH11 ARG 53 1HH1 ARG 53 -5.079 0.429 -6.566 408 HH12 ARG 53 2HH1 ARG 53 -5.146 1.947 -5.766 409 HH21 ARG 53 1HH2 ARG 53 -2.753 3.575 -7.741 410 HH22 ARG 53 2HH2 ARG 53 -3.846 3.728 -6.453 411 H ALA 54 H ALA 54 -6.327 -1.968 -12.643 412 HA ALA 54 HA ALA 54 -7.306 0.666 -13.042 413 HB1 ALA 54 1HB ALA 54 -8.114 -0.132 -15.214 414 HB2 ALA 54 2HB ALA 54 -7.852 -1.798 -14.699 415 HB3 ALA 54 3HB ALA 54 -6.477 -0.713 -14.896 416 H ARG 55 H ARG 55 -8.908 -2.388 -12.238 417 HA ARG 55 HA ARG 55 -11.524 -1.665 -12.693 418 HB2 ARG 55 2HB ARG 55 -10.557 -3.954 -12.294 419 HB3 ARG 55 1HB ARG 55 -10.576 -3.571 -10.583 420 HG2 ARG 55 2HG ARG 55 -12.521 -4.815 -11.015 421 HG3 ARG 55 1HG ARG 55 -13.042 -3.133 -10.835 422 HD2 ARG 55 2HD ARG 55 -12.958 -2.919 -13.323 423 HD3 ARG 55 1HD ARG 55 -12.636 -4.648 -13.406 424 HE ARG 55 HE ARG 55 -15.042 -3.548 -12.166 425 HH11 ARG 55 1HH1 ARG 55 -13.538 -5.850 -14.477 426 HH12 ARG 55 2HH1 ARG 55 -15.029 -6.484 -14.958 427 HH21 ARG 55 1HH2 ARG 55 -17.053 -4.497 -12.868 428 HH22 ARG 55 2HH2 ARG 55 -17.057 -5.713 -14.055 429 H LEU 56 H LEU 56 -9.746 -1.504 -9.606 430 HA LEU 56 HA LEU 56 -12.089 -0.456 -8.331 431 HB2 LEU 56 2HB LEU 56 -10.996 -0.194 -6.286 432 HB3 LEU 56 1HB LEU 56 -10.246 -1.596 -6.998 433 HG LEU 56 HG LEU 56 -8.972 1.122 -7.138 434 HD11 LEU 56 1HD1 LEU 56 -9.465 0.576 -4.844 435 HD12 LEU 56 2HD1 LEU 56 -7.720 0.495 -5.143 436 HD13 LEU 56 3HD1 LEU 56 -8.678 -0.992 -5.014 437 HD21 LEU 56 3HD2 LEU 56 -7.910 -1.687 -7.275 438 HD22 LEU 56 1HD2 LEU 56 -6.940 -0.215 -7.368 439 HD23 LEU 56 2HD2 LEU 56 -8.111 -0.586 -8.636 440 H SER 57 H SER 57 -9.474 1.007 -9.954 441 HA SER 57 HA SER 57 -9.807 3.647 -9.134 442 HB2 SER 57 2HB SER 57 -9.016 2.504 -11.809 443 HB3 SER 57 1HB SER 57 -8.767 4.176 -11.295 444 HG SER 57 HG SER 57 -7.403 1.846 -10.550 445 H ASN 58 H ASN 58 -11.353 1.744 -11.630 446 HA ASN 58 HA ASN 58 -13.207 3.625 -12.616 447 HB2 ASN 58 2HB ASN 58 -12.839 1.512 -13.769 448 HB3 ASN 58 1HB ASN 58 -13.387 0.613 -12.367 449 HD21 ASN 58 1HD2 ASN 58 -14.988 3.477 -13.718 450 HD22 ASN 58 2HD2 ASN 58 -16.398 2.627 -14.223 451 H LEU 59 H LEU 59 -13.408 1.339 -9.900 452 HA LEU 59 HA LEU 59 -15.993 1.846 -9.090 453 HB2 LEU 59 2HB LEU 59 -13.586 0.825 -7.622 454 HB3 LEU 59 1HB LEU 59 -14.953 1.375 -6.707 455 HG LEU 59 HG LEU 59 -15.024 -1.037 -6.990 456 HD11 LEU 59 1HD1 LEU 59 -17.313 -1.256 -7.786 457 HD12 LEU 59 2HD1 LEU 59 -17.227 0.346 -8.506 458 HD13 LEU 59 3HD1 LEU 59 -17.113 0.159 -6.753 459 HD21 LEU 59 3HD2 LEU 59 -15.251 -0.469 -9.944 460 HD22 LEU 59 1HD2 LEU 59 -15.478 -2.043 -9.182 461 HD23 LEU 59 2HD2 LEU 59 -13.899 -1.266 -9.137 462 H ALA 60 H ALA 60 -13.118 3.722 -8.476 463 HA ALA 60 HA ALA 60 -14.147 5.317 -6.397 464 HB1 ALA 60 1HB ALA 60 -12.056 6.085 -8.433 465 HB2 ALA 60 2HB ALA 60 -11.755 5.199 -6.939 466 HB3 ALA 60 3HB ALA 60 -12.334 6.864 -6.875 467 H LEU 61 H LEU 61 -14.749 5.406 -9.785 468 HA LEU 61 HA LEU 61 -15.943 8.039 -9.498 469 HB2 LEU 61 2HB LEU 61 -15.230 6.487 -11.978 470 HB3 LEU 61 1HB LEU 61 -16.207 7.935 -12.033 471 HG LEU 61 HG LEU 61 -14.257 9.167 -10.985 472 HD11 LEU 61 1HD1 LEU 61 -12.741 6.671 -11.694 473 HD12 LEU 61 2HD1 LEU 61 -13.035 7.295 -10.070 474 HD13 LEU 61 3HD1 LEU 61 -12.035 8.210 -11.197 475 HD21 LEU 61 3HD2 LEU 61 -14.762 9.374 -13.330 476 HD22 LEU 61 1HD2 LEU 61 -13.848 7.907 -13.685 477 HD23 LEU 61 2HD2 LEU 61 -13.019 9.343 -13.084 478 H VAL 62 H VAL 62 -16.898 4.880 -9.303 479 HA VAL 62 HA VAL 62 -19.616 5.666 -10.062 480 HB VAL 62 HB VAL 62 -20.207 3.281 -10.508 481 HG11 VAL 62 1HG1 VAL 62 -19.679 4.759 -12.343 482 HG12 VAL 62 2HG1 VAL 62 -19.078 3.132 -12.680 483 HG13 VAL 62 3HG1 VAL 62 -17.962 4.398 -12.165 484 HG21 VAL 62 3HG2 VAL 62 -18.441 2.193 -9.194 485 HG22 VAL 62 1HG2 VAL 62 -17.237 2.824 -10.319 486 HG23 VAL 62 2HG2 VAL 62 -18.426 1.641 -10.872 487 H LYS 63 H LYS 63 -17.830 3.780 -7.649 488 HA LYS 63 HA LYS 63 -19.889 4.399 -5.700 489 HB2 LYS 63 2HB LYS 63 -18.793 1.560 -5.978 490 HB3 LYS 63 1HB LYS 63 -19.922 2.127 -4.781 491 HG2 LYS 63 2HG LYS 63 -21.632 2.501 -6.473 492 HG3 LYS 63 1HG LYS 63 -20.515 1.983 -7.729 493 HD2 LYS 63 2HD LYS 63 -22.061 0.186 -7.217 494 HD3 LYS 63 1HD LYS 63 -20.442 -0.267 -6.691 495 HE2 LYS 63 2HE LYS 63 -20.987 0.141 -4.408 496 HE3 LYS 63 1HE LYS 63 -22.513 0.908 -4.826 497 HZ1 LYS 63 3HZ LYS 63 -22.955 -1.309 -4.065 498 HZ2 LYS 63 1HZ LYS 63 -21.839 -1.985 -5.145 499 HZ3 LYS 63 2HZ LYS 63 -23.247 -1.260 -5.706 500 HA PRO 64 HA PRO 64 -15.489 5.272 -4.613 501 HB2 PRO 64 2HB PRO 64 -16.668 7.405 -2.966 502 HB3 PRO 64 1HB PRO 64 -15.466 7.522 -4.249 503 HG2 PRO 64 2HG PRO 64 -17.976 8.396 -4.580 504 HG3 PRO 64 1HG PRO 64 -17.049 7.671 -5.908 505 HD2 PRO 64 2HD PRO 64 -19.196 6.461 -4.207 506 HD3 PRO 64 1HD PRO 64 -18.924 6.314 -5.958 507 H GLU 65 H GLU 65 -18.246 4.772 -2.628 508 HA GLU 65 HA GLU 65 -16.990 4.598 -0.118 509 HB2 GLU 65 2HB GLU 65 -19.444 4.676 -0.396 510 HB3 GLU 65 1HB GLU 65 -19.392 3.084 -1.141 511 HG2 GLU 65 2HG GLU 65 -18.476 2.168 0.966 512 HG3 GLU 65 1HG GLU 65 -18.682 3.754 1.704 513 H LYS 66 H LYS 66 -17.491 2.341 -2.766 514 HA LYS 66 HA LYS 66 -16.533 0.145 -1.258 515 HB2 LYS 66 2HB LYS 66 -17.039 0.268 -4.237 516 HB3 LYS 66 1HB LYS 66 -16.782 -1.183 -3.263 517 HG2 LYS 66 2HG LYS 66 -19.106 0.687 -3.151 518 HG3 LYS 66 1HG LYS 66 -19.090 -1.025 -3.596 519 HD2 LYS 66 2HD LYS 66 -18.410 -1.599 -1.289 520 HD3 LYS 66 1HD LYS 66 -18.460 0.115 -0.867 521 HE2 LYS 66 2HE LYS 66 -20.805 0.134 -1.587 522 HE3 LYS 66 1HE LYS 66 -20.679 -1.615 -1.756 523 HZ1 LYS 66 3HZ LYS 66 -20.428 -0.059 0.761 524 HZ2 LYS 66 1HZ LYS 66 -20.042 -1.714 0.627 525 HZ3 LYS 66 2HZ LYS 66 -21.610 -1.173 0.363 526 H THR 67 H THR 67 -15.123 2.492 -3.375 527 HA THR 67 HA THR 67 -12.691 1.303 -3.900 528 HB THR 67 HB THR 67 -12.981 4.158 -3.048 529 HG1 THR 67 1HG THR 67 -13.535 3.159 -5.661 530 HG21 THR 67 3HG2 THR 67 -11.358 2.814 -5.226 531 HG22 THR 67 1HG2 THR 67 -10.738 3.356 -3.665 532 HG23 THR 67 2HG2 THR 67 -11.328 4.535 -4.833 533 H LYS 68 H LYS 68 -13.667 3.301 -1.059 534 HA LYS 68 HA LYS 68 -11.206 2.897 0.267 535 HB2 LYS 68 2HB LYS 68 -13.837 3.949 1.241 536 HB3 LYS 68 1HB LYS 68 -12.633 3.473 2.420 537 HG2 LYS 68 2HG LYS 68 -12.293 5.758 2.162 538 HG3 LYS 68 1HG LYS 68 -11.037 5.038 1.171 539 HD2 LYS 68 2HD LYS 68 -11.924 6.839 -0.076 540 HD3 LYS 68 1HD LYS 68 -12.597 5.375 -0.795 541 HE2 LYS 68 2HE LYS 68 -14.689 5.702 0.380 542 HE3 LYS 68 1HE LYS 68 -13.997 7.062 1.261 543 HZ1 LYS 68 3HZ LYS 68 -14.366 6.968 -1.668 544 HZ2 LYS 68 1HZ LYS 68 -13.835 8.291 -0.772 545 HZ3 LYS 68 2HZ LYS 68 -15.426 7.747 -0.598 546 H ALA 69 H ALA 69 -14.144 1.073 0.240 547 HA ALA 69 HA ALA 69 -13.516 -0.616 2.407 548 HB1 ALA 69 1HB ALA 69 -15.231 -1.219 -0.007 549 HB2 ALA 69 2HB ALA 69 -15.784 -0.438 1.475 550 HB3 ALA 69 3HB ALA 69 -15.229 -2.111 1.515 551 H VAL 70 H VAL 70 -13.073 -1.095 -1.146 552 HA VAL 70 HA VAL 70 -11.669 -3.487 -0.716 553 HB VAL 70 HB VAL 70 -11.004 -3.446 -3.077 554 HG11 VAL 70 1HG1 VAL 70 -13.240 -3.478 -4.081 555 HG12 VAL 70 2HG1 VAL 70 -13.881 -2.681 -2.644 556 HG13 VAL 70 3HG1 VAL 70 -13.191 -4.297 -2.519 557 HG21 VAL 70 3HG2 VAL 70 -11.742 -1.635 -4.573 558 HG22 VAL 70 1HG2 VAL 70 -10.577 -1.064 -3.376 559 HG23 VAL 70 2HG2 VAL 70 -12.293 -0.720 -3.169 560 H GLU 71 H GLU 71 -10.516 -0.141 -1.055 561 HA GLU 71 HA GLU 71 -7.779 -0.680 -1.210 562 HB2 GLU 71 2HB GLU 71 -9.241 1.598 0.160 563 HB3 GLU 71 1HB GLU 71 -7.483 1.544 0.052 564 HG2 GLU 71 2HG GLU 71 -7.726 1.644 -2.419 565 HG3 GLU 71 1HG GLU 71 -9.476 1.746 -2.206 566 H ASN 72 H ASN 72 -9.881 -0.403 1.678 567 HA ASN 72 HA ASN 72 -7.908 -0.825 3.600 568 HB2 ASN 72 2HB ASN 72 -10.037 0.152 4.132 569 HB3 ASN 72 1HB ASN 72 -10.888 -1.266 3.534 570 HD21 ASN 72 1HD2 ASN 72 -11.892 -1.812 5.331 571 HD22 ASN 72 2HD2 ASN 72 -11.094 -2.325 6.763 572 H TYR 73 H TYR 73 -10.187 -2.955 1.938 573 HA TYR 73 HA TYR 73 -9.672 -5.296 3.342 574 HB2 TYR 73 2HB TYR 73 -11.568 -4.766 1.716 575 HB3 TYR 73 1HB TYR 73 -10.440 -5.180 0.435 576 HD1 TYR 73 1HD TYR 73 -9.617 -7.545 0.236 577 HD2 TYR 73 2HD TYR 73 -12.645 -6.424 2.995 578 HE1 TYR 73 1HE TYR 73 -10.272 -9.897 0.464 579 HE2 TYR 73 2HE TYR 73 -13.317 -8.770 3.221 580 HH TYR 73 HH TYR 73 -11.436 -11.293 2.208 581 H LEU 74 H LEU 74 -8.131 -4.024 0.388 582 HA LEU 74 HA LEU 74 -6.394 -6.244 0.107 583 HB2 LEU 74 2HB LEU 74 -6.289 -3.478 -1.021 584 HB3 LEU 74 1HB LEU 74 -4.895 -4.544 -1.100 585 HG LEU 74 HG LEU 74 -6.102 -4.564 -3.200 586 HD11 LEU 74 1HD1 LEU 74 -4.971 -6.566 -2.532 587 HD12 LEU 74 2HD1 LEU 74 -6.418 -6.924 -3.480 588 HD13 LEU 74 3HD1 LEU 74 -6.436 -7.150 -1.728 589 HD21 LEU 74 3HD2 LEU 74 -8.346 -4.021 -2.443 590 HD22 LEU 74 1HD2 LEU 74 -8.470 -5.584 -1.639 591 HD23 LEU 74 2HD2 LEU 74 -8.353 -5.505 -3.398 592 H ILE 75 H ILE 75 -6.045 -3.203 1.859 593 HA ILE 75 HA ILE 75 -3.377 -3.502 2.654 594 HB ILE 75 HB ILE 75 -5.680 -2.378 4.300 595 HG12 ILE 75 2HG1 ILE 75 -3.648 -0.928 2.585 596 HG13 ILE 75 1HG1 ILE 75 -5.324 -1.226 2.140 597 HG21 ILE 75 1HG2 ILE 75 -2.700 -2.038 4.671 598 HG22 ILE 75 2HG2 ILE 75 -3.791 -2.926 5.731 599 HG23 ILE 75 3HG2 ILE 75 -3.944 -1.173 5.575 600 HD11 ILE 75 3HD1 ILE 75 -6.044 0.127 4.060 601 HD12 ILE 75 1HD1 ILE 75 -5.040 1.026 2.922 602 HD13 ILE 75 2HD1 ILE 75 -4.348 0.446 4.436 603 H GLN 76 H GLN 76 -6.409 -4.602 4.113 604 HA GLN 76 HA GLN 76 -5.386 -6.035 6.290 605 HB2 GLN 76 2HB GLN 76 -7.908 -6.576 4.717 606 HB3 GLN 76 1HB GLN 76 -7.536 -7.261 6.283 607 HG2 GLN 76 2HG GLN 76 -7.890 -4.327 5.718 608 HG3 GLN 76 1HG GLN 76 -9.124 -5.392 6.380 609 HE21 GLN 76 1HE2 GLN 76 -9.315 -4.226 8.219 610 HE22 GLN 76 2HE2 GLN 76 -8.128 -4.182 9.473 611 H MET 77 H MET 77 -6.128 -7.073 3.015 612 HA MET 77 HA MET 77 -5.603 -9.814 3.232 613 HB2 MET 77 2HB MET 77 -6.648 -8.613 1.281 614 HB3 MET 77 1HB MET 77 -5.044 -8.031 0.869 615 HG2 MET 77 2HG MET 77 -5.609 -9.871 -0.561 616 HG3 MET 77 1HG MET 77 -4.317 -10.362 0.534 617 HE1 MET 77 3HE MET 77 -4.821 -12.892 -0.199 618 HE2 MET 77 1HE MET 77 -6.157 -12.355 -1.220 619 HE3 MET 77 2HE MET 77 -6.407 -13.648 -0.047 620 H ALA 78 H ALA 78 -3.453 -7.114 2.392 621 HA ALA 78 HA ALA 78 -1.091 -8.662 2.213 622 HB1 ALA 78 1HB ALA 78 -1.385 -5.710 2.787 623 HB2 ALA 78 2HB ALA 78 -1.344 -6.440 1.183 624 HB3 ALA 78 3HB ALA 78 0.079 -6.518 2.221 625 H ARG 79 H ARG 79 -2.639 -6.933 4.885 626 HA ARG 79 HA ARG 79 -0.596 -7.181 6.785 627 HB2 ARG 79 2HB ARG 79 -3.543 -6.794 6.993 628 HB3 ARG 79 1HB ARG 79 -2.581 -6.929 8.437 629 HG2 ARG 79 2HG ARG 79 -2.305 -4.819 6.280 630 HG3 ARG 79 1HG ARG 79 -3.072 -4.590 7.848 631 HD2 ARG 79 2HD ARG 79 -0.919 -3.635 8.034 632 HD3 ARG 79 1HD ARG 79 -0.828 -5.174 8.877 633 HE ARG 79 HE ARG 79 0.212 -4.699 6.157 634 HH11 ARG 79 1HH1 ARG 79 0.494 -6.341 9.302 635 HH12 ARG 79 2HH1 ARG 79 1.999 -7.026 8.960 636 HH21 ARG 79 1HH2 ARG 79 2.300 -5.636 5.724 637 HH22 ARG 79 2HH2 ARG 79 3.070 -6.597 6.900 638 H TYR 80 H TYR 80 -3.219 -9.359 5.910 639 HA TYR 80 HA TYR 80 -2.731 -11.105 8.129 640 HB2 TYR 80 2HB TYR 80 -4.275 -11.637 5.576 641 HB3 TYR 80 1HB TYR 80 -4.282 -12.686 6.984 642 HD1 TYR 80 2HD TYR 80 -4.448 -10.495 9.108 643 HD2 TYR 80 1HD TYR 80 -6.567 -11.069 5.458 644 HE1 TYR 80 2HE TYR 80 -6.305 -9.195 9.987 645 HE2 TYR 80 1HE TYR 80 -8.446 -9.769 6.342 646 HH TYR 80 HH TYR 80 -8.175 -7.947 9.229 647 H GLY 81 H GLY 81 -1.134 -10.545 5.259 648 HA2 GLY 81 2HA GLY 81 0.778 -11.459 4.414 649 HA3 GLY 81 1HA GLY 81 0.822 -12.523 5.816 650 H GLN 82 H GLN 82 -1.966 -12.424 3.837 651 HA GLN 82 HA GLN 82 -1.310 -15.132 2.978 652 HB2 GLN 82 2HB GLN 82 -3.716 -15.493 2.686 653 HB3 GLN 82 1HB GLN 82 -3.331 -14.938 4.306 654 HG2 GLN 82 2HG GLN 82 -4.087 -12.701 3.727 655 HG3 GLN 82 1HG GLN 82 -4.476 -13.263 2.100 656 HE21 GLN 82 1HE2 GLN 82 -6.247 -12.158 4.108 657 HE22 GLN 82 2HE2 GLN 82 -7.440 -13.366 4.420 658 H LEU 83 H LEU 83 -0.806 -12.317 1.879 659 HA LEU 83 HA LEU 83 -1.913 -12.335 -0.771 660 HB2 LEU 83 2HB LEU 83 -0.801 -10.411 0.815 661 HB3 LEU 83 1HB LEU 83 0.592 -10.967 -0.101 662 HG LEU 83 HG LEU 83 -0.359 -8.927 -1.027 663 HD11 LEU 83 1HD1 LEU 83 -0.626 -11.302 -2.837 664 HD12 LEU 83 2HD1 LEU 83 0.846 -10.397 -2.497 665 HD13 LEU 83 3HD1 LEU 83 -0.489 -9.623 -3.352 666 HD21 LEU 83 3HD2 LEU 83 -2.526 -8.952 -2.136 667 HD22 LEU 83 1HD2 LEU 83 -2.660 -9.282 -0.411 668 HD23 LEU 83 2HD2 LEU 83 -2.802 -10.602 -1.573 669 H SER 84 H SER 84 -1.273 -14.120 -1.891 670 HA SER 84 HA SER 84 1.387 -15.205 -1.474 671 HB2 SER 84 2HB SER 84 -0.840 -16.225 -3.225 672 HB3 SER 84 1HB SER 84 0.558 -17.130 -2.628 673 HG SER 84 HG SER 84 -0.745 -15.929 -0.625 674 H GLU 85 H GLU 85 -0.558 -13.700 -3.939 675 HA GLU 85 HA GLU 85 1.700 -13.050 -5.594 676 HB2 GLU 85 2HB GLU 85 -0.467 -14.916 -6.623 677 HB3 GLU 85 1HB GLU 85 0.600 -14.014 -7.674 678 HG2 GLU 85 2HG GLU 85 1.400 -16.171 -5.730 679 HG3 GLU 85 1HG GLU 85 1.289 -16.328 -7.481 680 H LYS 86 H LYS 86 0.555 -12.045 -7.738 681 HA LYS 86 HA LYS 86 -0.782 -9.767 -7.019 682 HB2 LYS 86 2HB LYS 86 -0.775 -11.264 -9.612 683 HB3 LYS 86 1HB LYS 86 -1.550 -9.714 -9.378 684 HG2 LYS 86 2HG LYS 86 1.382 -10.251 -9.004 685 HG3 LYS 86 1HG LYS 86 0.616 -9.545 -10.438 686 HD2 LYS 86 2HD LYS 86 -0.258 -7.735 -8.967 687 HD3 LYS 86 1HD LYS 86 0.739 -8.390 -7.665 688 HE2 LYS 86 2HE LYS 86 1.896 -6.570 -8.766 689 HE3 LYS 86 1HE LYS 86 2.732 -8.092 -9.065 690 HZ1 LYS 86 3HZ LYS 86 2.521 -6.709 -11.044 691 HZ2 LYS 86 1HZ LYS 86 0.862 -6.768 -10.938 692 HZ3 LYS 86 2HZ LYS 86 1.732 -8.180 -11.267 693 H VAL 87 H VAL 87 -2.771 -9.203 -6.725 694 HA VAL 87 HA VAL 87 -4.873 -11.160 -6.710 695 HB VAL 87 HB VAL 87 -4.966 -8.166 -6.188 696 HG11 VAL 87 1HG1 VAL 87 -7.152 -9.071 -6.785 697 HG12 VAL 87 2HG1 VAL 87 -7.110 -8.617 -5.081 698 HG13 VAL 87 3HG1 VAL 87 -6.989 -10.315 -5.545 699 HG21 VAL 87 3HG2 VAL 87 -3.519 -9.285 -4.581 700 HG22 VAL 87 1HG2 VAL 87 -4.789 -10.455 -4.229 701 HG23 VAL 87 2HG2 VAL 87 -5.012 -8.759 -3.801 702 H SER 88 H SER 88 -5.889 -11.593 -8.498 703 HA SER 88 HA SER 88 -5.555 -10.034 -10.857 704 HB2 SER 88 2HB SER 88 -7.294 -12.454 -10.312 705 HB3 SER 88 1HB SER 88 -6.876 -11.807 -11.901 706 HG SER 88 HG SER 88 -4.782 -12.314 -11.577 707 H GLU 89 H GLU 89 -7.718 -9.656 -12.191 708 HA GLU 89 HA GLU 89 -9.041 -7.574 -10.815 709 HB2 GLU 89 2HB GLU 89 -8.523 -7.748 -13.287 710 HB3 GLU 89 1HB GLU 89 -9.840 -8.899 -13.386 711 HG2 GLU 89 2HG GLU 89 -10.810 -6.541 -12.110 712 HG3 GLU 89 1HG GLU 89 -9.885 -6.099 -13.499 713 H GLN 90 H GLN 90 -9.891 -10.869 -11.722 714 HA GLN 90 HA GLN 90 -12.527 -10.702 -10.742 715 HB2 GLN 90 2HB GLN 90 -12.563 -13.194 -10.874 716 HB3 GLN 90 1HB GLN 90 -12.090 -12.409 -12.363 717 HG2 GLN 90 2HG GLN 90 -10.719 -14.321 -12.157 718 HG3 GLN 90 1HG GLN 90 -9.694 -12.960 -11.746 719 HE21 GLN 90 1HE2 GLN 90 -8.260 -14.272 -10.645 720 HE22 GLN 90 2HE2 GLN 90 -8.612 -14.959 -9.118 721 H GLY 91 H GLY 91 -9.528 -11.136 -9.187 722 HA2 GLY 91 2HA GLY 91 -10.501 -12.312 -6.775 723 HA3 GLY 91 1HA GLY 91 -8.960 -11.477 -6.993 724 H LEU 92 H LEU 92 -9.863 -9.069 -7.948 725 HA LEU 92 HA LEU 92 -10.614 -7.718 -5.585 726 HB2 LEU 92 2HB LEU 92 -9.349 -6.629 -7.381 727 HB3 LEU 92 1HB LEU 92 -10.738 -6.767 -8.445 728 HG LEU 92 HG LEU 92 -12.006 -5.346 -6.802 729 HD11 LEU 92 1HD1 LEU 92 -10.621 -5.630 -4.856 730 HD12 LEU 92 2HD1 LEU 92 -10.713 -3.926 -5.299 731 HD13 LEU 92 3HD1 LEU 92 -9.265 -4.857 -5.678 732 HD21 LEU 92 3HD2 LEU 92 -11.146 -4.511 -8.897 733 HD22 LEU 92 1HD2 LEU 92 -9.612 -4.104 -8.133 734 HD23 LEU 92 2HD2 LEU 92 -11.101 -3.277 -7.643 735 H ILE 93 H ILE 93 -12.368 -8.770 -8.433 736 HA ILE 93 HA ILE 93 -14.874 -7.664 -7.847 737 HB ILE 93 HB ILE 93 -14.074 -10.114 -9.420 738 HG12 ILE 93 2HG1 ILE 93 -15.090 -7.409 -10.322 739 HG13 ILE 93 1HG1 ILE 93 -13.398 -7.878 -10.265 740 HG21 ILE 93 1HG2 ILE 93 -16.344 -10.192 -10.356 741 HG22 ILE 93 2HG2 ILE 93 -16.842 -8.943 -9.200 742 HG23 ILE 93 3HG2 ILE 93 -16.289 -10.515 -8.620 743 HD11 ILE 93 3HD1 ILE 93 -15.514 -9.166 -11.981 744 HD12 ILE 93 1HD1 ILE 93 -13.800 -9.579 -11.948 745 HD13 ILE 93 2HD1 ILE 93 -14.306 -7.996 -12.519 746 H GLU 94 H GLU 94 -13.390 -10.648 -6.814 747 HA GLU 94 HA GLU 94 -15.550 -11.837 -5.470 748 HB2 GLU 94 2HB GLU 94 -13.739 -13.248 -5.812 749 HB3 GLU 94 1HB GLU 94 -12.571 -12.009 -5.428 750 HG2 GLU 94 2HG GLU 94 -12.515 -13.840 -3.854 751 HG3 GLU 94 1HG GLU 94 -12.974 -12.318 -3.088 752 H ILE 95 H ILE 95 -13.048 -9.635 -4.394 753 HA ILE 95 HA ILE 95 -13.923 -9.267 -1.742 754 HB ILE 95 HB ILE 95 -12.387 -7.354 -3.548 755 HG12 ILE 95 2HG1 ILE 95 -11.356 -9.306 -1.485 756 HG13 ILE 95 1HG1 ILE 95 -11.383 -9.632 -3.213 757 HG21 ILE 95 1HG2 ILE 95 -13.397 -6.206 -1.677 758 HG22 ILE 95 2HG2 ILE 95 -11.641 -6.278 -1.544 759 HG23 ILE 95 3HG2 ILE 95 -12.645 -7.353 -0.567 760 HD11 ILE 95 3HD1 ILE 95 -9.868 -7.408 -1.867 761 HD12 ILE 95 1HD1 ILE 95 -9.861 -7.766 -3.591 762 HD13 ILE 95 2HD1 ILE 95 -9.179 -8.924 -2.450 763 H LEU 96 H LEU 96 -14.507 -7.490 -4.712 764 HA LEU 96 HA LEU 96 -15.925 -5.344 -3.749 765 HB2 LEU 96 2HB LEU 96 -14.893 -5.572 -5.985 766 HB3 LEU 96 1HB LEU 96 -16.235 -6.594 -6.457 767 HG LEU 96 HG LEU 96 -17.776 -4.696 -6.020 768 HD11 LEU 96 1HD1 LEU 96 -15.208 -3.147 -5.665 769 HD12 LEU 96 2HD1 LEU 96 -16.414 -3.438 -4.420 770 HD13 LEU 96 3HD1 LEU 96 -16.810 -2.433 -5.811 771 HD21 LEU 96 3HD2 LEU 96 -16.983 -5.194 -8.276 772 HD22 LEU 96 1HD2 LEU 96 -15.565 -4.181 -8.007 773 HD23 LEU 96 2HD2 LEU 96 -17.169 -3.456 -8.046 774 H LYS 97 H LYS 97 -17.124 -8.482 -4.845 775 HA LYS 97 HA LYS 97 -19.861 -7.857 -4.825 776 HB2 LYS 97 2HB LYS 97 -18.441 -10.485 -4.469 777 HB3 LYS 97 1HB LYS 97 -20.191 -10.347 -4.558 778 HG2 LYS 97 2HG LYS 97 -20.013 -9.389 -6.783 779 HG3 LYS 97 1HG LYS 97 -18.256 -9.482 -6.689 780 HD2 LYS 97 2HD LYS 97 -18.334 -11.880 -6.576 781 HD3 LYS 97 1HD LYS 97 -20.095 -11.859 -6.471 782 HE2 LYS 97 2HE LYS 97 -18.461 -10.892 -8.818 783 HE3 LYS 97 1HE LYS 97 -19.322 -12.426 -8.735 784 HZ1 LYS 97 3HZ LYS 97 -20.592 -10.767 -9.928 785 HZ2 LYS 97 1HZ LYS 97 -20.555 -9.726 -8.610 786 HZ3 LYS 97 2HZ LYS 97 -21.401 -11.174 -8.498 787 H LYS 98 H LYS 98 -17.783 -9.125 -2.278 788 HA LYS 98 HA LYS 98 -19.881 -9.475 -0.411 789 HB2 LYS 98 2HB LYS 98 -16.943 -9.149 0.034 790 HB3 LYS 98 1HB LYS 98 -18.107 -9.851 1.161 791 HG2 LYS 98 2HG LYS 98 -18.569 -11.633 -0.341 792 HG3 LYS 98 1HG LYS 98 -17.540 -10.914 -1.571 793 HD2 LYS 98 2HD LYS 98 -16.688 -12.012 1.083 794 HD3 LYS 98 1HD LYS 98 -16.460 -12.670 -0.555 795 HE2 LYS 98 2HE LYS 98 -15.150 -10.658 -1.117 796 HE3 LYS 98 1HE LYS 98 -15.175 -10.211 0.595 797 HZ1 LYS 98 3HZ LYS 98 -14.049 -12.665 -0.600 798 HZ2 LYS 98 1HZ LYS 98 -14.177 -12.403 1.061 799 HZ3 LYS 98 2HZ LYS 98 -13.152 -11.439 0.176 800 H VAL 99 H VAL 99 -17.398 -7.074 -0.858 801 HA VAL 99 HA VAL 99 -18.311 -5.363 1.233 802 HB VAL 99 HB VAL 99 -17.091 -3.483 0.325 803 HG11 VAL 99 1HG1 VAL 99 -15.703 -5.025 1.524 804 HG12 VAL 99 2HG1 VAL 99 -14.797 -4.470 0.122 805 HG13 VAL 99 3HG1 VAL 99 -15.554 -6.062 0.107 806 HG21 VAL 99 3HG2 VAL 99 -16.736 -5.169 -2.097 807 HG22 VAL 99 1HG2 VAL 99 -15.822 -3.678 -1.817 808 HG23 VAL 99 2HG2 VAL 99 -17.582 -3.627 -1.985 809 H SER 100 H SER 100 -19.572 -5.757 -1.952 810 HA SER 100 HA SER 100 -21.042 -3.379 -2.073 811 HB2 SER 100 2HB SER 100 -20.648 -5.012 -3.989 812 HB3 SER 100 1HB SER 100 -21.909 -6.017 -3.280 813 HG SER 100 HG SER 100 -23.258 -4.817 -4.300 814 H GLN 101 H GLN 101 -21.470 -6.232 -0.235 815 HA GLN 101 HA GLN 101 -24.119 -5.372 0.649 816 HB2 GLN 101 2HB GLN 101 -22.576 -7.916 1.158 817 HB3 GLN 101 1HB GLN 101 -24.154 -7.568 1.843 818 HG2 GLN 101 2HG GLN 101 -25.099 -7.501 -0.421 819 HG3 GLN 101 1HG GLN 101 -23.506 -7.884 -1.078 820 HE21 GLN 101 1HE2 GLN 101 -26.194 -9.064 0.746 821 HE22 GLN 101 2HE2 GLN 101 -25.819 -10.737 0.631 822 H GLN 102 H GLN 102 -21.202 -6.729 2.099 823 HA GLN 102 HA GLN 102 -21.394 -4.710 4.221 824 HB2 GLN 102 2HB GLN 102 -20.661 -7.631 4.625 825 HB3 GLN 102 1HB GLN 102 -20.618 -6.385 5.868 826 HG2 GLN 102 2HG GLN 102 -23.048 -6.161 5.646 827 HG3 GLN 102 1HG GLN 102 -23.042 -7.437 4.429 828 HE21 GLN 102 1HE2 GLN 102 -22.562 -9.545 5.067 829 HE22 GLN 102 2HE2 GLN 102 -22.643 -10.064 6.707 830 H THR 103 H THR 103 -18.973 -7.239 4.136 831 HA THR 103 HA THR 103 -17.005 -5.889 2.642 832 HB THR 103 HB THR 103 -16.566 -6.086 5.670 833 HG1 THR 103 1HG THR 103 -17.644 -4.183 4.187 834 HG21 THR 103 3HG2 THR 103 -14.516 -6.491 4.357 835 HG22 THR 103 1HG2 THR 103 -14.419 -4.960 5.229 836 HG23 THR 103 2HG2 THR 103 -14.764 -4.964 3.504 837 H GLU 104 H GLU 104 -16.921 -7.946 5.503 838 HA GLU 104 HA GLU 104 -17.393 -10.402 4.822 839 HB2 GLU 104 2HB GLU 104 -15.642 -10.395 2.973 840 HB3 GLU 104 1HB GLU 104 -14.420 -10.135 4.226 841 HG2 GLU 104 2HG GLU 104 -15.182 -12.214 5.346 842 HG3 GLU 104 1HG GLU 104 -16.257 -12.510 3.994 843 H LYS 105 H LYS 105 -17.639 -10.985 6.830 844 HA LYS 105 HA LYS 105 -15.226 -11.042 8.425 845 HB2 LYS 105 2HB LYS 105 -18.006 -10.399 9.412 846 HB3 LYS 105 1HB LYS 105 -16.754 -11.007 10.481 847 HG2 LYS 105 2HG LYS 105 -16.661 -8.427 8.915 848 HG3 LYS 105 1HG LYS 105 -16.916 -8.632 10.655 849 HD2 LYS 105 2HD LYS 105 -14.672 -9.676 10.834 850 HD3 LYS 105 1HD LYS 105 -14.412 -9.354 9.123 851 HE2 LYS 105 2HE LYS 105 -13.315 -7.653 10.393 852 HE3 LYS 105 1HE LYS 105 -14.705 -6.932 9.583 853 HZ1 LYS 105 3HZ LYS 105 -14.516 -6.193 11.884 854 HZ2 LYS 105 1HZ LYS 105 -14.595 -7.780 12.424 855 HZ3 LYS 105 2HZ LYS 105 -15.933 -7.094 11.703 856 H THR 106 H THR 106 -14.671 -12.923 7.905 857 HA THR 106 HA THR 106 -16.560 -15.100 7.895 858 HB THR 106 HB THR 106 -14.312 -16.327 7.216 859 HG1 THR 106 1HG THR 106 -13.527 -14.087 5.874 860 HG21 THR 106 3HG2 THR 106 -16.272 -16.120 5.778 861 HG22 THR 106 1HG2 THR 106 -14.812 -15.763 4.862 862 HG23 THR 106 2HG2 THR 106 -15.849 -14.447 5.411 863 H THR 107 H THR 107 -13.823 -13.982 9.787 864 HA THR 107 HA THR 107 -13.556 -16.356 11.314 865 HB THR 107 HB THR 107 -12.860 -13.561 12.236 866 HG1 THR 107 1HG THR 107 -11.892 -15.077 10.140 867 HG21 THR 107 3HG2 THR 107 -12.580 -15.387 13.872 868 HG22 THR 107 1HG2 THR 107 -11.020 -14.721 13.387 869 HG23 THR 107 2HG2 THR 107 -11.569 -16.260 12.722 870 H THR 108 H THR 108 -15.497 -13.453 11.570 871 HA THR 108 HA THR 108 -16.599 -14.114 14.135 872 HB THR 108 HB THR 108 -17.548 -12.049 12.147 873 HG1 THR 108 1HG THR 108 -15.331 -12.100 13.892 874 HG21 THR 108 3HG2 THR 108 -17.702 -12.185 15.172 875 HG22 THR 108 1HG2 THR 108 -19.040 -12.471 14.060 876 HG23 THR 108 2HG2 THR 108 -18.315 -10.868 14.172 877 H VAL 109 H VAL 109 -17.907 -15.910 14.044 878 HA VAL 109 HA VAL 109 -19.713 -16.154 11.756 879 HB VAL 109 HB VAL 109 -20.081 -18.505 12.475 880 HG11 VAL 109 1HG1 VAL 109 -17.847 -19.327 11.831 881 HG12 VAL 109 2HG1 VAL 109 -17.208 -17.696 12.036 882 HG13 VAL 109 3HG1 VAL 109 -18.416 -18.020 10.793 883 HG21 VAL 109 3HG2 VAL 109 -17.924 -17.898 14.500 884 HG22 VAL 109 1HG2 VAL 109 -18.582 -19.496 14.150 885 HG23 VAL 109 2HG2 VAL 109 -19.614 -18.250 14.857 886 H LYS 110 H LYS 110 -19.707 -14.898 14.700 887 HA LYS 110 HA LYS 110 -22.254 -15.727 15.640 888 HB2 LYS 110 2HB LYS 110 -20.575 -14.947 17.205 889 HB3 LYS 110 1HB LYS 110 -20.503 -13.392 16.398 890 HG2 LYS 110 2HG LYS 110 -22.769 -12.893 17.100 891 HG3 LYS 110 1HG LYS 110 -22.900 -14.480 17.860 892 HD2 LYS 110 2HD LYS 110 -21.109 -13.929 19.394 893 HD3 LYS 110 1HD LYS 110 -20.885 -12.371 18.596 894 HE2 LYS 110 2HE LYS 110 -23.090 -11.664 19.273 895 HE3 LYS 110 1HE LYS 110 -23.415 -13.261 19.950 896 HZ1 LYS 110 3HZ LYS 110 -21.718 -12.919 21.569 897 HZ2 LYS 110 1HZ LYS 110 -22.786 -11.630 21.654 898 HZ3 LYS 110 2HZ LYS 110 -21.282 -11.436 20.922 899 H PHE 111 H PHE 111 -23.585 -15.442 13.958 900 HA PHE 111 HA PHE 111 -24.136 -12.731 13.004 901 HB2 PHE 111 2HB PHE 111 -24.055 -14.782 11.473 902 HB3 PHE 111 1HB PHE 111 -25.527 -15.317 12.272 903 HD1 PHE 111 1HD PHE 111 -27.645 -14.181 11.861 904 HD2 PHE 111 2HD PHE 111 -24.059 -12.947 9.948 905 HE1 PHE 111 1HE PHE 111 -28.954 -12.880 10.247 906 HE2 PHE 111 2HE PHE 111 -25.360 -11.637 8.334 907 HZ PHE 111 HZ PHE 111 -27.805 -11.599 8.482 908 H ASN 112 H ASN 112 -25.280 -15.288 15.001 909 HA ASN 112 HA ASN 112 -26.847 -13.708 16.671 910 HB2 ASN 112 2HB ASN 112 -28.553 -13.904 14.862 911 HB3 ASN 112 1HB ASN 112 -28.367 -15.656 14.890 912 HD21 ASN 112 1HD2 ASN 112 -30.513 -16.014 15.452 913 HD22 ASN 112 2HD2 ASN 112 -31.130 -15.647 17.015 Start of MODEL 17 1 H1 GLY 0 1HT GLY 0 29.339 40.630 -7.200 2 H2 GLY 0 2HT GLY 0 30.885 40.150 -6.808 3 H3 GLY 0 3HT GLY 0 30.357 41.746 -6.468 4 HA2 GLY 0 1HA GLY 0 30.374 40.408 -4.464 5 HA3 GLY 0 2HA GLY 0 28.750 40.916 -4.928 6 H SER 1 H SER 1 28.448 39.029 -3.400 7 HA SER 1 HA SER 1 28.852 36.404 -4.541 8 HB2 SER 1 2HB SER 1 27.626 37.351 -1.951 9 HB3 SER 1 1HB SER 1 28.015 35.675 -2.329 10 HG SER 1 HG SER 1 30.068 37.464 -2.697 11 H ALA 2 H ALA 2 26.999 38.093 -6.004 12 HA ALA 2 HA ALA 2 24.281 37.792 -5.300 13 HB1 ALA 2 1HB ALA 2 25.018 39.420 -6.986 14 HB2 ALA 2 2HB ALA 2 23.748 38.372 -7.609 15 HB3 ALA 2 3HB ALA 2 25.424 38.094 -8.073 16 H ASP 3 H ASP 3 26.351 35.768 -7.283 17 HA ASP 3 HA ASP 3 24.198 33.962 -7.953 18 HB2 ASP 3 2HB ASP 3 26.040 34.307 -9.544 19 HB3 ASP 3 1HB ASP 3 27.187 33.717 -8.349 20 H GLU 4 H GLU 4 26.963 34.065 -5.863 21 HA GLU 4 HA GLU 4 27.041 31.550 -4.753 22 HB2 GLU 4 2HB GLU 4 27.693 34.242 -3.607 23 HB3 GLU 4 1HB GLU 4 28.065 32.740 -2.779 24 HG2 GLU 4 2HG GLU 4 30.005 33.723 -3.910 25 HG3 GLU 4 1HG GLU 4 29.603 32.130 -4.537 26 H GLU 5 H GLU 5 25.352 34.437 -3.528 27 HA GLU 5 HA GLU 5 24.313 33.219 -1.227 28 HB2 GLU 5 2HB GLU 5 22.811 35.169 -1.068 29 HB3 GLU 5 1HB GLU 5 24.457 35.651 -1.456 30 HG2 GLU 5 2HG GLU 5 23.840 35.960 -3.783 31 HG3 GLU 5 1HG GLU 5 22.201 35.420 -3.434 32 H LEU 6 H LEU 6 23.060 33.473 -4.474 33 HA LEU 6 HA LEU 6 20.500 32.479 -3.800 34 HB2 LEU 6 2HB LEU 6 20.894 33.893 -5.768 35 HB3 LEU 6 1HB LEU 6 21.857 32.620 -6.489 36 HG LEU 6 HG LEU 6 19.878 31.190 -6.647 37 HD11 LEU 6 1HD1 LEU 6 17.664 32.106 -6.158 38 HD12 LEU 6 2HD1 LEU 6 18.418 33.567 -5.510 39 HD13 LEU 6 3HD1 LEU 6 18.663 32.016 -4.710 40 HD21 LEU 6 3HD2 LEU 6 18.693 32.471 -8.359 41 HD22 LEU 6 1HD2 LEU 6 20.440 32.663 -8.503 42 HD23 LEU 6 2HD2 LEU 6 19.465 33.950 -7.789 43 H GLU 7 H GLU 7 23.462 31.095 -5.105 44 HA GLU 7 HA GLU 7 22.469 28.500 -5.515 45 HB2 GLU 7 2HB GLU 7 24.578 29.324 -6.492 46 HB3 GLU 7 1HB GLU 7 25.295 29.360 -4.886 47 HG2 GLU 7 2HG GLU 7 24.938 26.956 -4.694 48 HG3 GLU 7 1HG GLU 7 24.283 26.926 -6.324 49 H ALA 8 H ALA 8 24.115 30.028 -2.814 50 HA ALA 8 HA ALA 8 24.302 27.850 -1.081 51 HB1 ALA 8 1HB ALA 8 24.504 29.507 0.709 52 HB2 ALA 8 2HB ALA 8 23.901 30.758 -0.376 53 HB3 ALA 8 3HB ALA 8 25.452 29.983 -0.699 54 H LEU 9 H LEU 9 21.730 30.200 -1.555 55 HA LEU 9 HA LEU 9 19.905 29.380 0.375 56 HB2 LEU 9 2HB LEU 9 19.794 31.449 -1.014 57 HB3 LEU 9 1HB LEU 9 19.409 30.484 -2.408 58 HG LEU 9 HG LEU 9 17.575 30.718 0.003 59 HD11 LEU 9 1HD1 LEU 9 17.575 32.277 -2.571 60 HD12 LEU 9 2HD1 LEU 9 17.977 32.901 -0.970 61 HD13 LEU 9 3HD1 LEU 9 16.337 32.351 -1.311 62 HD21 LEU 9 3HD2 LEU 9 17.029 29.881 -2.859 63 HD22 LEU 9 1HD2 LEU 9 15.838 29.977 -1.560 64 HD23 LEU 9 2HD2 LEU 9 17.132 28.781 -1.485 65 H ARG 10 H ARG 10 20.203 28.394 -3.022 66 HA ARG 10 HA ARG 10 18.121 26.534 -3.080 67 HB2 ARG 10 2HB ARG 10 20.613 26.681 -4.647 68 HB3 ARG 10 1HB ARG 10 19.310 25.592 -5.085 69 HG2 ARG 10 2HG ARG 10 17.849 27.649 -5.317 70 HG3 ARG 10 1HG ARG 10 19.316 28.607 -5.114 71 HD2 ARG 10 2HD ARG 10 18.787 28.295 -7.486 72 HD3 ARG 10 1HD ARG 10 20.316 27.527 -7.044 73 HE ARG 10 HE ARG 10 18.137 25.725 -6.830 74 HH11 ARG 10 1HH1 ARG 10 20.273 27.172 -9.258 75 HH12 ARG 10 2HH1 ARG 10 20.166 25.847 -10.328 76 HH21 ARG 10 1HH2 ARG 10 17.989 23.914 -8.301 77 HH22 ARG 10 2HH2 ARG 10 18.862 23.972 -9.759 78 H ARG 11 H ARG 11 21.573 26.023 -2.665 79 HA ARG 11 HA ARG 11 21.501 23.238 -2.398 80 HB2 ARG 11 2HB ARG 11 23.503 25.262 -1.427 81 HB3 ARG 11 1HB ARG 11 23.755 23.520 -1.335 82 HG2 ARG 11 2HG ARG 11 23.751 23.298 -3.686 83 HG3 ARG 11 1HG ARG 11 23.120 24.928 -3.908 84 HD2 ARG 11 2HD ARG 11 25.486 24.843 -4.452 85 HD3 ARG 11 1HD ARG 11 25.204 25.844 -3.031 86 HE ARG 11 HE ARG 11 25.792 23.410 -2.028 87 HH11 ARG 11 1HH1 ARG 11 27.459 25.644 -4.318 88 HH12 ARG 11 2HH1 ARG 11 28.989 25.195 -3.821 89 HH21 ARG 11 1HH2 ARG 11 27.955 22.827 -1.371 90 HH22 ARG 11 2HH2 ARG 11 29.305 23.530 -2.115 91 H GLN 12 H GLN 12 21.324 25.764 0.096 92 HA GLN 12 HA GLN 12 21.280 23.929 2.230 93 HB2 GLN 12 2HB GLN 12 21.795 26.295 2.632 94 HB3 GLN 12 1HB GLN 12 20.173 26.751 2.127 95 HG2 GLN 12 2HG GLN 12 19.216 25.603 4.018 96 HG3 GLN 12 1HG GLN 12 20.798 25.007 4.504 97 HE21 GLN 12 1HE2 GLN 12 18.661 27.726 4.427 98 HE22 GLN 12 2HE2 GLN 12 19.580 28.720 5.492 99 H ARG 13 H ARG 13 18.737 25.469 0.326 100 HA ARG 13 HA ARG 13 16.624 24.428 1.852 101 HB2 ARG 13 2HB ARG 13 16.367 26.377 0.336 102 HB3 ARG 13 1HB ARG 13 16.558 25.309 -1.046 103 HG2 ARG 13 2HG ARG 13 14.207 25.904 -0.603 104 HG3 ARG 13 1HG ARG 13 14.497 24.167 -0.493 105 HD2 ARG 13 2HD ARG 13 14.616 24.334 1.944 106 HD3 ARG 13 1HD ARG 13 14.355 26.074 1.843 107 HE ARG 13 HE ARG 13 12.159 25.707 1.306 108 HH11 ARG 13 1HH1 ARG 13 13.808 22.568 1.534 109 HH12 ARG 13 2HH1 ARG 13 12.367 21.724 1.932 110 HH21 ARG 13 1HH2 ARG 13 10.194 24.460 1.825 111 HH22 ARG 13 2HH2 ARG 13 10.312 22.789 1.998 112 H LEU 14 H LEU 14 18.487 23.142 -0.770 113 HA LEU 14 HA LEU 14 16.928 20.932 -1.499 114 HB2 LEU 14 2HB LEU 14 18.906 21.761 -2.733 115 HB3 LEU 14 1HB LEU 14 19.937 21.219 -1.427 116 HG LEU 14 HG LEU 14 19.252 18.880 -1.906 117 HD11 LEU 14 1HD1 LEU 14 18.146 18.422 -4.063 118 HD12 LEU 14 2HD1 LEU 14 17.842 20.154 -4.238 119 HD13 LEU 14 3HD1 LEU 14 17.111 19.261 -2.906 120 HD21 LEU 14 3HD2 LEU 14 20.434 20.390 -4.238 121 HD22 LEU 14 1HD2 LEU 14 20.573 18.655 -3.954 122 HD23 LEU 14 2HD2 LEU 14 21.319 19.790 -2.835 123 H ALA 15 H ALA 15 19.365 21.371 1.033 124 HA ALA 15 HA ALA 15 19.325 18.692 1.937 125 HB1 ALA 15 1HB ALA 15 20.544 19.546 3.888 126 HB2 ALA 15 2HB ALA 15 20.173 21.199 3.395 127 HB3 ALA 15 3HB ALA 15 21.210 20.189 2.385 128 H GLU 16 H GLU 16 17.632 21.605 2.745 129 HA GLU 16 HA GLU 16 16.276 20.683 5.024 130 HB2 GLU 16 2HB GLU 16 15.609 22.893 3.113 131 HB3 GLU 16 1HB GLU 16 14.819 22.646 4.666 132 HG2 GLU 16 2HG GLU 16 17.745 23.149 4.257 133 HG3 GLU 16 1HG GLU 16 16.576 24.366 4.754 134 H LEU 17 H LEU 17 15.607 20.440 1.630 135 HA LEU 17 HA LEU 17 12.888 19.648 1.886 136 HB2 LEU 17 2HB LEU 17 14.199 20.655 -0.140 137 HB3 LEU 17 1HB LEU 17 14.713 19.014 -0.431 138 HG LEU 17 HG LEU 17 11.829 19.939 -0.465 139 HD11 LEU 17 1HD1 LEU 17 12.007 19.722 -2.875 140 HD12 LEU 17 2HD1 LEU 17 13.744 19.422 -2.727 141 HD13 LEU 17 3HD1 LEU 17 13.068 20.983 -2.251 142 HD21 LEU 17 3HD2 LEU 17 13.090 17.395 -1.449 143 HD22 LEU 17 1HD2 LEU 17 11.382 17.815 -1.579 144 HD23 LEU 17 2HD2 LEU 17 12.103 17.534 0.009 145 H GLN 18 H GLN 18 16.018 18.195 1.716 146 HA GLN 18 HA GLN 18 16.917 16.262 2.415 147 HB2 GLN 18 2HB GLN 18 15.228 16.632 4.300 148 HB3 GLN 18 1HB GLN 18 14.234 15.432 3.489 149 HG2 GLN 18 2HG GLN 18 16.067 13.828 3.680 150 HG3 GLN 18 1HG GLN 18 17.018 15.031 4.519 151 HE21 GLN 18 1HE2 GLN 18 14.783 16.139 5.997 152 HE22 GLN 18 2HE2 GLN 18 14.395 14.992 7.220 153 H ALA 19 H ALA 19 15.206 16.602 -0.076 154 HA ALA 19 HA ALA 19 15.719 13.899 -0.972 155 HB1 ALA 19 1HB ALA 19 13.657 13.903 -2.332 156 HB2 ALA 19 2HB ALA 19 13.189 15.447 -1.631 157 HB3 ALA 19 3HB ALA 19 13.282 14.011 -0.614 158 H LYS 20 H LYS 20 16.812 13.925 -2.840 159 HA LYS 20 HA LYS 20 17.739 16.446 -3.729 160 HB2 LYS 20 2HB LYS 20 19.038 15.173 -5.434 161 HB3 LYS 20 1HB LYS 20 19.398 14.780 -3.776 162 HG2 LYS 20 2HG LYS 20 17.830 12.769 -4.102 163 HG3 LYS 20 1HG LYS 20 17.855 13.174 -5.814 164 HD2 LYS 20 2HD LYS 20 19.485 11.441 -5.400 165 HD3 LYS 20 1HD LYS 20 20.333 12.936 -5.788 166 HE2 LYS 20 2HE LYS 20 20.790 13.340 -3.441 167 HE3 LYS 20 1HE LYS 20 19.824 11.942 -2.982 168 HZ1 LYS 20 3HZ LYS 20 22.352 11.880 -4.526 169 HZ2 LYS 20 1HZ LYS 20 21.450 10.527 -4.066 170 HZ3 LYS 20 2HZ LYS 20 22.191 11.516 -2.906 171 H HIS 21 H HIS 21 16.306 17.629 -4.598 172 HA HIS 21 HA HIS 21 15.408 16.799 -7.225 173 HB2 HIS 21 2HB HIS 21 13.574 16.699 -5.384 174 HB3 HIS 21 1HB HIS 21 13.669 18.457 -5.402 175 HD1 HIS 21 1HD HIS 21 11.998 15.701 -6.924 176 HD2 HIS 21 2HD HIS 21 13.114 19.504 -8.151 177 HE1 HIS 21 1HE HIS 21 10.569 16.216 -8.933 178 HE2 HIS 21 2HE HIS 21 11.663 18.254 -9.869 179 H GLY 22 H GLY 22 17.207 17.920 -7.861 180 HA2 GLY 22 2HA GLY 22 18.024 20.471 -7.212 181 HA3 GLY 22 1HA GLY 22 18.300 19.707 -8.763 182 H ASP 23 H ASP 23 15.455 19.572 -9.422 183 HA ASP 23 HA ASP 23 15.149 22.103 -10.659 184 HB2 ASP 23 2HB ASP 23 14.143 20.159 -11.702 185 HB3 ASP 23 1HB ASP 23 13.120 19.884 -10.298 186 HA PRO 24 HA PRO 24 13.072 23.950 -7.121 187 HB2 PRO 24 2HB PRO 24 13.788 26.501 -7.689 188 HB3 PRO 24 1HB PRO 24 14.873 25.353 -6.906 189 HG2 PRO 24 2HG PRO 24 15.010 26.465 -9.610 190 HG3 PRO 24 1HG PRO 24 16.246 25.600 -8.694 191 HD2 PRO 24 2HD PRO 24 14.487 24.584 -10.773 192 HD3 PRO 24 1HD PRO 24 15.856 23.795 -9.962 193 H GLY 25 H GLY 25 12.044 23.632 -10.103 194 HA2 GLY 25 2HA GLY 25 10.440 26.029 -10.401 195 HA3 GLY 25 1HA GLY 25 10.568 24.698 -11.544 196 H ASP 26 H ASP 26 9.736 24.765 -8.147 197 HA ASP 26 HA ASP 26 7.909 24.248 -6.938 198 HB2 ASP 26 2HB ASP 26 6.604 25.737 -8.275 199 HB3 ASP 26 1HB ASP 26 6.405 24.519 -9.539 200 H ALA 27 H ALA 27 8.437 22.285 -9.721 201 HA ALA 27 HA ALA 27 6.887 20.034 -9.258 202 HB1 ALA 27 1HB ALA 27 8.517 18.802 -10.558 203 HB2 ALA 27 2HB ALA 27 9.683 20.111 -10.356 204 HB3 ALA 27 3HB ALA 27 8.198 20.383 -11.271 205 H ALA 28 H ALA 28 9.646 21.090 -7.591 206 HA ALA 28 HA ALA 28 10.617 18.842 -6.332 207 HB1 ALA 28 1HB ALA 28 11.616 21.078 -6.186 208 HB2 ALA 28 2HB ALA 28 11.414 20.340 -4.602 209 HB3 ALA 28 3HB ALA 28 10.294 21.593 -5.138 210 H GLN 29 H GLN 29 7.723 20.776 -5.505 211 HA GLN 29 HA GLN 29 7.339 19.313 -3.093 212 HB2 GLN 29 2HB GLN 29 5.387 20.633 -2.681 213 HB3 GLN 29 1HB GLN 29 6.613 21.696 -3.353 214 HG2 GLN 29 2HG GLN 29 5.490 21.878 -5.400 215 HG3 GLN 29 1HG GLN 29 4.425 20.516 -5.031 216 HE21 GLN 29 1HE2 GLN 29 5.073 23.861 -4.424 217 HE22 GLN 29 2HE2 GLN 29 3.596 24.190 -3.586 218 H GLN 30 H GLN 30 6.374 19.005 -6.346 219 HA GLN 30 HA GLN 30 4.042 17.405 -6.040 220 HB2 GLN 30 2HB GLN 30 4.704 18.582 -8.138 221 HB3 GLN 30 1HB GLN 30 6.043 17.467 -8.308 222 HG2 GLN 30 2HG GLN 30 4.508 15.620 -8.595 223 HG3 GLN 30 1HG GLN 30 3.132 16.688 -8.328 224 HE21 GLN 30 1HE2 GLN 30 5.590 15.688 -10.549 225 HE22 GLN 30 2HE2 GLN 30 4.955 16.537 -11.906 226 H GLU 31 H GLU 31 7.469 16.719 -6.293 227 HA GLU 31 HA GLU 31 7.131 13.916 -6.299 228 HB2 GLU 31 2HB GLU 31 9.168 14.818 -7.177 229 HB3 GLU 31 1HB GLU 31 9.543 15.603 -5.650 230 HG2 GLU 31 2HG GLU 31 10.066 13.586 -4.607 231 HG3 GLU 31 1HG GLU 31 9.276 12.631 -5.855 232 H ALA 32 H ALA 32 7.371 16.280 -3.762 233 HA ALA 32 HA ALA 32 7.727 14.476 -1.634 234 HB1 ALA 32 1HB ALA 32 6.339 17.164 -1.632 235 HB2 ALA 32 2HB ALA 32 8.064 16.899 -1.367 236 HB3 ALA 32 3HB ALA 32 6.886 16.292 -0.200 237 H LYS 33 H LYS 33 4.874 15.766 -3.246 238 HA LYS 33 HA LYS 33 2.993 14.394 -1.620 239 HB2 LYS 33 2HB LYS 33 2.415 16.367 -2.995 240 HB3 LYS 33 1HB LYS 33 2.698 15.428 -4.450 241 HG2 LYS 33 2HG LYS 33 0.361 15.616 -4.035 242 HG3 LYS 33 1HG LYS 33 0.857 13.930 -3.809 243 HD2 LYS 33 2HD LYS 33 0.982 14.337 -1.346 244 HD3 LYS 33 1HD LYS 33 0.367 15.965 -1.624 245 HE2 LYS 33 2HE LYS 33 -1.682 15.020 -2.539 246 HE3 LYS 33 1HE LYS 33 -1.063 13.392 -2.264 247 HZ1 LYS 33 3HZ LYS 33 -2.567 14.120 -0.512 248 HZ2 LYS 33 1HZ LYS 33 -1.592 15.434 -0.181 249 HZ3 LYS 33 2HZ LYS 33 -1.029 13.887 0.147 250 H HIS 34 H HIS 34 4.638 13.676 -4.612 251 HA HIS 34 HA HIS 34 3.355 11.348 -5.427 252 HB2 HIS 34 2HB HIS 34 5.042 12.571 -6.792 253 HB3 HIS 34 1HB HIS 34 6.297 12.045 -5.688 254 HD1 HIS 34 1HD HIS 34 5.083 11.289 -8.927 255 HD2 HIS 34 2HD HIS 34 6.325 8.963 -5.719 256 HE1 HIS 34 1HE HIS 34 5.731 9.081 -9.902 257 HE2 HIS 34 2HE HIS 34 6.915 7.970 -7.994 258 H ARG 35 H ARG 35 6.091 11.743 -3.148 259 HA ARG 35 HA ARG 35 6.258 8.937 -2.766 260 HB2 ARG 35 2HB ARG 35 7.854 9.355 -0.971 261 HB3 ARG 35 1HB ARG 35 8.235 10.349 -2.362 262 HG2 ARG 35 2HG ARG 35 7.203 12.268 -1.249 263 HG3 ARG 35 1HG ARG 35 6.865 11.254 0.154 264 HD2 ARG 35 2HD ARG 35 9.289 10.812 0.365 265 HD3 ARG 35 1HD ARG 35 9.579 11.924 -0.972 266 HE ARG 35 HE ARG 35 8.070 13.296 0.880 267 HH11 ARG 35 1HH1 ARG 35 11.296 11.819 0.815 268 HH12 ARG 35 2HH1 ARG 35 11.936 12.862 1.987 269 HH21 ARG 35 1HH2 ARG 35 8.966 14.698 2.480 270 HH22 ARG 35 2HH2 ARG 35 10.598 14.504 2.976 271 H GLU 36 H GLU 36 4.372 11.429 -1.256 272 HA GLU 36 HA GLU 36 3.559 9.987 1.043 273 HB2 GLU 36 2HB GLU 36 1.976 12.019 -0.551 274 HB3 GLU 36 1HB GLU 36 1.588 11.468 1.067 275 HG2 GLU 36 2HG GLU 36 3.751 12.453 1.830 276 HG3 GLU 36 1HG GLU 36 3.939 13.126 0.210 277 H ALA 37 H ALA 37 2.206 10.333 -2.183 278 HA ALA 37 HA ALA 37 0.030 8.580 -1.897 279 HB1 ALA 37 1HB ALA 37 -0.041 8.595 -4.337 280 HB2 ALA 37 2HB ALA 37 1.569 9.306 -4.389 281 HB3 ALA 37 3HB ALA 37 0.221 10.225 -3.711 282 H GLU 38 H GLU 38 3.317 8.105 -3.039 283 HA GLU 38 HA GLU 38 3.270 5.492 -3.908 284 HB2 GLU 38 2HB GLU 38 5.214 6.898 -4.209 285 HB3 GLU 38 1HB GLU 38 5.467 6.970 -2.469 286 HG2 GLU 38 2HG GLU 38 5.907 4.541 -2.467 287 HG3 GLU 38 1HG GLU 38 5.728 4.538 -4.218 288 H MET 39 H MET 39 3.643 6.681 -0.629 289 HA MET 39 HA MET 39 4.390 4.277 0.592 290 HB2 MET 39 2HB MET 39 4.548 6.493 1.677 291 HB3 MET 39 1HB MET 39 2.800 6.525 1.817 292 HG2 MET 39 2HG MET 39 2.822 4.658 3.318 293 HG3 MET 39 1HG MET 39 4.558 4.449 3.095 294 HE1 MET 39 3HE MET 39 2.558 7.850 3.511 295 HE2 MET 39 1HE MET 39 2.649 8.066 5.258 296 HE3 MET 39 2HE MET 39 1.722 6.725 4.583 297 H ARG 40 H ARG 40 1.155 5.640 0.124 298 HA ARG 40 HA ARG 40 -0.123 3.360 1.314 299 HB2 ARG 40 2HB ARG 40 -1.169 5.639 1.242 300 HB3 ARG 40 1HB ARG 40 -1.356 5.449 -0.497 301 HG2 ARG 40 2HG ARG 40 -2.771 3.464 -0.095 302 HG3 ARG 40 1HG ARG 40 -2.640 3.760 1.639 303 HD2 ARG 40 2HD ARG 40 -3.647 5.988 1.290 304 HD3 ARG 40 1HD ARG 40 -3.860 5.612 -0.415 305 HE ARG 40 HE ARG 40 -5.257 4.399 1.850 306 HH11 ARG 40 1HH1 ARG 40 -4.929 4.650 -1.684 307 HH12 ARG 40 2HH1 ARG 40 -6.481 4.010 -1.992 308 HH21 ARG 40 1HH2 ARG 40 -7.427 3.566 1.395 309 HH22 ARG 40 2HH2 ARG 40 -7.940 3.469 -0.225 310 H ASN 41 H ASN 41 0.684 4.450 -1.904 311 HA ASN 41 HA ASN 41 -0.830 2.653 -3.429 312 HB2 ASN 41 2HB ASN 41 0.240 4.749 -4.283 313 HB3 ASN 41 1HB ASN 41 1.793 3.930 -4.201 314 HD21 ASN 41 1HD2 ASN 41 2.193 4.021 -6.420 315 HD22 ASN 41 2HD2 ASN 41 1.265 3.108 -7.547 316 H SER 42 H SER 42 2.313 2.294 -1.900 317 HA SER 42 HA SER 42 3.482 0.377 -3.470 318 HB2 SER 42 2HB SER 42 3.735 0.870 -0.510 319 HB3 SER 42 1HB SER 42 4.778 -0.219 -1.419 320 HG SER 42 HG SER 42 4.410 2.496 -2.151 321 H ILE 43 H ILE 43 1.242 -0.216 -0.755 322 HA ILE 43 HA ILE 43 1.602 -3.014 -1.147 323 HB ILE 43 HB ILE 43 -0.154 -3.426 0.516 324 HG12 ILE 43 2HG1 ILE 43 -0.412 -0.394 0.697 325 HG13 ILE 43 1HG1 ILE 43 -1.634 -1.504 0.093 326 HG21 ILE 43 1HG2 ILE 43 1.028 -2.470 2.446 327 HG22 ILE 43 2HG2 ILE 43 1.928 -1.422 1.347 328 HG23 ILE 43 3HG2 ILE 43 2.115 -3.172 1.248 329 HD11 ILE 43 3HD1 ILE 43 -2.095 -0.768 2.356 330 HD12 ILE 43 1HD1 ILE 43 -0.539 -1.411 2.874 331 HD13 ILE 43 2HD1 ILE 43 -1.778 -2.514 2.296 332 H LEU 44 H LEU 44 -0.768 -0.671 -2.146 333 HA LEU 44 HA LEU 44 -2.676 -2.520 -3.121 334 HB2 LEU 44 2HB LEU 44 -2.138 0.320 -3.981 335 HB3 LEU 44 1HB LEU 44 -3.565 -0.604 -4.400 336 HG LEU 44 HG LEU 44 -2.787 0.270 -1.614 337 HD11 LEU 44 1HD1 LEU 44 -4.970 1.232 -3.454 338 HD12 LEU 44 2HD1 LEU 44 -3.513 2.118 -3.014 339 HD13 LEU 44 3HD1 LEU 44 -4.724 1.747 -1.786 340 HD21 LEU 44 3HD2 LEU 44 -3.997 -1.849 -1.558 341 HD22 LEU 44 1HD2 LEU 44 -5.250 -1.179 -2.606 342 HD23 LEU 44 2HD2 LEU 44 -5.024 -0.543 -0.975 343 H ALA 45 H ALA 45 -0.025 -0.797 -4.642 344 HA ALA 45 HA ALA 45 -0.369 -1.671 -7.257 345 HB1 ALA 45 1HB ALA 45 2.183 -0.899 -5.869 346 HB2 ALA 45 2HB ALA 45 1.021 0.225 -6.567 347 HB3 ALA 45 3HB ALA 45 1.898 -0.891 -7.610 348 H GLN 46 H GLN 46 1.149 -3.309 -4.532 349 HA GLN 46 HA GLN 46 2.315 -5.236 -6.361 350 HB2 GLN 46 2HB GLN 46 3.359 -6.303 -4.447 351 HB3 GLN 46 1HB GLN 46 3.662 -4.575 -4.419 352 HG2 GLN 46 2HG GLN 46 1.955 -4.289 -2.729 353 HG3 GLN 46 1HG GLN 46 1.602 -6.013 -2.776 354 HE21 GLN 46 1HE2 GLN 46 3.857 -3.590 -1.817 355 HE22 GLN 46 2HE2 GLN 46 4.802 -4.594 -0.778 356 H VAL 47 H VAL 47 -0.480 -4.970 -4.322 357 HA VAL 47 HA VAL 47 -0.957 -7.827 -4.552 358 HB VAL 47 HB VAL 47 -2.933 -7.528 -3.174 359 HG11 VAL 47 1HG1 VAL 47 -0.608 -6.003 -2.034 360 HG12 VAL 47 2HG1 VAL 47 -0.767 -7.751 -2.081 361 HG13 VAL 47 3HG1 VAL 47 -1.892 -6.790 -1.114 362 HG21 VAL 47 3HG2 VAL 47 -3.510 -5.313 -2.216 363 HG22 VAL 47 1HG2 VAL 47 -3.740 -5.386 -3.966 364 HG23 VAL 47 2HG2 VAL 47 -2.324 -4.578 -3.296 365 H LEU 48 H LEU 48 -1.956 -4.914 -6.089 366 HA LEU 48 HA LEU 48 -4.031 -6.392 -7.510 367 HB2 LEU 48 2HB LEU 48 -3.354 -3.454 -7.585 368 HB3 LEU 48 1HB LEU 48 -4.706 -4.219 -8.391 369 HG LEU 48 HG LEU 48 -4.339 -3.990 -5.391 370 HD11 LEU 48 1HD1 LEU 48 -6.162 -2.499 -7.251 371 HD12 LEU 48 2HD1 LEU 48 -4.766 -1.845 -6.384 372 HD13 LEU 48 3HD1 LEU 48 -6.175 -2.412 -5.490 373 HD21 LEU 48 3HD2 LEU 48 -5.623 -5.967 -5.984 374 HD22 LEU 48 1HD2 LEU 48 -6.674 -4.988 -7.012 375 HD23 LEU 48 2HD2 LEU 48 -6.665 -4.736 -5.269 376 H ASP 49 H ASP 49 -3.479 -7.272 -9.423 377 HA ASP 49 HA ASP 49 -1.131 -6.589 -10.839 378 HB2 ASP 49 2HB ASP 49 -2.304 -8.749 -11.276 379 HB3 ASP 49 1HB ASP 49 -3.702 -7.864 -11.864 380 H GLN 50 H GLN 50 -1.130 -5.542 -12.914 381 HA GLN 50 HA GLN 50 -1.930 -2.898 -12.948 382 HB2 GLN 50 2HB GLN 50 -0.239 -3.742 -14.474 383 HB3 GLN 50 1HB GLN 50 -1.437 -4.702 -15.326 384 HG2 GLN 50 2HG GLN 50 -2.550 -2.620 -16.045 385 HG3 GLN 50 1HG GLN 50 -1.288 -1.694 -15.237 386 HE21 GLN 50 1HE2 GLN 50 -2.049 -3.779 -17.917 387 HE22 GLN 50 2HE2 GLN 50 -0.624 -3.429 -18.827 388 H SER 51 H SER 51 -3.669 -5.673 -14.160 389 HA SER 51 HA SER 51 -5.741 -4.316 -15.504 390 HB2 SER 51 2HB SER 51 -6.862 -6.558 -15.305 391 HB3 SER 51 1HB SER 51 -5.257 -6.589 -16.034 392 HG SER 51 HG SER 51 -4.426 -7.532 -14.271 393 H ALA 52 H ALA 52 -5.566 -5.862 -12.335 394 HA ALA 52 HA ALA 52 -8.137 -5.111 -11.439 395 HB1 ALA 52 1HB ALA 52 -5.711 -5.888 -9.821 396 HB2 ALA 52 2HB ALA 52 -6.901 -7.001 -10.496 397 HB3 ALA 52 3HB ALA 52 -7.375 -5.858 -9.239 398 H ARG 53 H ARG 53 -4.966 -3.643 -11.171 399 HA ARG 53 HA ARG 53 -5.555 -1.623 -9.332 400 HB2 ARG 53 2HB ARG 53 -3.298 -2.371 -10.293 401 HB3 ARG 53 1HB ARG 53 -3.681 -1.376 -11.673 402 HG2 ARG 53 2HG ARG 53 -2.234 -0.167 -10.196 403 HG3 ARG 53 1HG ARG 53 -3.821 0.613 -10.232 404 HD2 ARG 53 2HD ARG 53 -4.368 -0.603 -8.081 405 HD3 ARG 53 1HD ARG 53 -2.722 -1.209 -8.092 406 HE ARG 53 HE ARG 53 -1.934 0.985 -7.790 407 HH11 ARG 53 1HH1 ARG 53 -5.449 0.738 -7.475 408 HH12 ARG 53 2HH1 ARG 53 -5.573 2.053 -6.396 409 HH21 ARG 53 1HH2 ARG 53 -2.153 2.757 -6.278 410 HH22 ARG 53 2HH2 ARG 53 -3.696 3.241 -5.715 411 H ALA 54 H ALA 54 -5.698 -1.731 -12.843 412 HA ALA 54 HA ALA 54 -6.711 0.873 -13.270 413 HB1 ALA 54 1HB ALA 54 -7.076 -1.590 -14.984 414 HB2 ALA 54 2HB ALA 54 -5.727 -0.459 -15.085 415 HB3 ALA 54 3HB ALA 54 -7.358 0.071 -15.495 416 H ARG 55 H ARG 55 -8.334 -2.273 -12.891 417 HA ARG 55 HA ARG 55 -10.982 -1.486 -13.248 418 HB2 ARG 55 2HB ARG 55 -10.064 -3.805 -13.175 419 HB3 ARG 55 1HB ARG 55 -9.914 -3.627 -11.432 420 HG2 ARG 55 2HG ARG 55 -11.954 -4.806 -11.954 421 HG3 ARG 55 1HG ARG 55 -12.262 -3.182 -11.291 422 HD2 ARG 55 2HD ARG 55 -13.726 -3.713 -13.159 423 HD3 ARG 55 1HD ARG 55 -12.757 -2.288 -13.447 424 HE ARG 55 HE ARG 55 -11.567 -4.673 -14.526 425 HH11 ARG 55 1HH1 ARG 55 -14.010 -2.203 -15.204 426 HH12 ARG 55 2HH1 ARG 55 -13.894 -2.361 -16.895 427 HH21 ARG 55 1HH2 ARG 55 -11.436 -4.934 -16.745 428 HH22 ARG 55 2HH2 ARG 55 -12.406 -3.995 -17.818 429 H LEU 56 H LEU 56 -8.923 -1.360 -10.414 430 HA LEU 56 HA LEU 56 -10.919 -0.719 -8.562 431 HB2 LEU 56 2HB LEU 56 -8.631 -1.412 -7.925 432 HB3 LEU 56 1HB LEU 56 -8.014 0.120 -8.515 433 HG LEU 56 HG LEU 56 -9.374 1.291 -6.799 434 HD11 LEU 56 1HD1 LEU 56 -9.904 -1.484 -5.765 435 HD12 LEU 56 2HD1 LEU 56 -11.074 -0.425 -6.543 436 HD13 LEU 56 3HD1 LEU 56 -10.372 0.033 -4.989 437 HD21 LEU 56 3HD2 LEU 56 -7.975 0.715 -4.912 438 HD22 LEU 56 1HD2 LEU 56 -7.024 0.753 -6.394 439 HD23 LEU 56 2HD2 LEU 56 -7.508 -0.795 -5.696 440 H SER 57 H SER 57 -8.932 1.288 -10.664 441 HA SER 57 HA SER 57 -9.826 3.778 -9.690 442 HB2 SER 57 2HB SER 57 -7.771 3.514 -11.032 443 HB3 SER 57 1HB SER 57 -8.739 3.056 -12.430 444 HG SER 57 HG SER 57 -8.834 5.560 -11.078 445 H ASN 58 H ASN 58 -11.029 1.577 -12.153 446 HA ASN 58 HA ASN 58 -13.012 3.215 -13.275 447 HB2 ASN 58 2HB ASN 58 -12.872 0.212 -13.006 448 HB3 ASN 58 1HB ASN 58 -14.231 1.011 -13.776 449 HD21 ASN 58 1HD2 ASN 58 -13.952 1.930 -15.794 450 HD22 ASN 58 2HD2 ASN 58 -12.554 1.652 -16.755 451 H LEU 59 H LEU 59 -13.214 0.938 -10.555 452 HA LEU 59 HA LEU 59 -15.928 1.535 -10.109 453 HB2 LEU 59 2HB LEU 59 -15.620 0.319 -8.010 454 HB3 LEU 59 1HB LEU 59 -15.240 -0.657 -9.451 455 HG LEU 59 HG LEU 59 -12.812 0.203 -8.540 456 HD11 LEU 59 1HD1 LEU 59 -12.860 0.002 -6.065 457 HD12 LEU 59 2HD1 LEU 59 -14.612 -0.053 -6.135 458 HD13 LEU 59 3HD1 LEU 59 -13.756 1.392 -6.671 459 HD21 LEU 59 3HD2 LEU 59 -12.593 -1.996 -7.489 460 HD22 LEU 59 1HD2 LEU 59 -13.418 -2.114 -9.043 461 HD23 LEU 59 2HD2 LEU 59 -14.341 -2.202 -7.541 462 H ALA 60 H ALA 60 -12.987 2.626 -8.743 463 HA ALA 60 HA ALA 60 -13.793 4.080 -6.523 464 HB1 ALA 60 1HB ALA 60 -11.639 4.915 -8.451 465 HB2 ALA 60 2HB ALA 60 -11.450 3.726 -7.168 466 HB3 ALA 60 3HB ALA 60 -11.787 5.412 -6.764 467 H LEU 61 H LEU 61 -14.193 4.916 -9.835 468 HA LEU 61 HA LEU 61 -14.856 7.658 -9.169 469 HB2 LEU 61 2HB LEU 61 -14.773 6.274 -11.834 470 HB3 LEU 61 1HB LEU 61 -15.023 7.989 -11.572 471 HG LEU 61 HG LEU 61 -12.511 6.472 -10.871 472 HD11 LEU 61 1HD1 LEU 61 -12.823 6.657 -13.257 473 HD12 LEU 61 2HD1 LEU 61 -11.514 7.701 -12.710 474 HD13 LEU 61 3HD1 LEU 61 -13.095 8.392 -13.100 475 HD21 LEU 61 3HD2 LEU 61 -12.857 8.366 -9.377 476 HD22 LEU 61 1HD2 LEU 61 -13.138 9.419 -10.764 477 HD23 LEU 61 2HD2 LEU 61 -11.547 8.703 -10.503 478 H VAL 62 H VAL 62 -16.530 4.727 -9.460 479 HA VAL 62 HA VAL 62 -18.999 6.231 -9.996 480 HB VAL 62 HB VAL 62 -20.053 4.209 -10.908 481 HG11 VAL 62 1HG1 VAL 62 -18.958 5.744 -12.434 482 HG12 VAL 62 2HG1 VAL 62 -18.818 4.077 -13.002 483 HG13 VAL 62 3HG1 VAL 62 -17.440 4.866 -12.237 484 HG21 VAL 62 3HG2 VAL 62 -17.341 2.933 -10.584 485 HG22 VAL 62 1HG2 VAL 62 -18.703 2.215 -11.448 486 HG23 VAL 62 2HG2 VAL 62 -18.809 2.490 -9.708 487 H LYS 63 H LYS 63 -17.445 4.054 -7.837 488 HA LYS 63 HA LYS 63 -19.624 4.408 -5.987 489 HB2 LYS 63 2HB LYS 63 -19.606 1.957 -5.412 490 HB3 LYS 63 1HB LYS 63 -20.265 2.323 -6.994 491 HG2 LYS 63 2HG LYS 63 -17.950 1.739 -7.916 492 HG3 LYS 63 1HG LYS 63 -17.613 1.085 -6.316 493 HD2 LYS 63 2HD LYS 63 -19.855 0.220 -8.144 494 HD3 LYS 63 1HD LYS 63 -18.356 -0.657 -7.853 495 HE2 LYS 63 2HE LYS 63 -18.952 -0.912 -5.502 496 HE3 LYS 63 1HE LYS 63 -20.418 0.013 -5.770 497 HZ1 LYS 63 3HZ LYS 63 -21.252 -1.675 -7.211 498 HZ2 LYS 63 1HZ LYS 63 -20.801 -2.409 -5.778 499 HZ3 LYS 63 2HZ LYS 63 -19.850 -2.568 -7.164 500 HA PRO 64 HA PRO 64 -15.352 5.125 -4.426 501 HB2 PRO 64 2HB PRO 64 -16.517 7.414 -3.033 502 HB3 PRO 64 1HB PRO 64 -15.231 7.378 -4.239 503 HG2 PRO 64 2HG PRO 64 -17.679 8.387 -4.778 504 HG3 PRO 64 1HG PRO 64 -16.697 7.566 -6.005 505 HD2 PRO 64 2HD PRO 64 -18.993 6.501 -4.402 506 HD3 PRO 64 1HD PRO 64 -18.634 6.304 -6.134 507 H GLU 65 H GLU 65 -18.369 4.850 -2.702 508 HA GLU 65 HA GLU 65 -17.127 4.859 -0.099 509 HB2 GLU 65 2HB GLU 65 -19.880 3.804 -0.838 510 HB3 GLU 65 1HB GLU 65 -19.271 3.997 0.787 511 HG2 GLU 65 2HG GLU 65 -20.736 5.796 0.429 512 HG3 GLU 65 1HG GLU 65 -19.116 6.469 0.302 513 H LYS 66 H LYS 66 -18.065 2.574 -2.487 514 HA LYS 66 HA LYS 66 -17.449 0.323 -0.826 515 HB2 LYS 66 2HB LYS 66 -17.770 0.253 -3.833 516 HB3 LYS 66 1HB LYS 66 -17.928 -1.088 -2.711 517 HG2 LYS 66 2HG LYS 66 -19.834 1.200 -3.144 518 HG3 LYS 66 1HG LYS 66 -20.116 -0.509 -3.400 519 HD2 LYS 66 2HD LYS 66 -19.718 0.850 -0.732 520 HD3 LYS 66 1HD LYS 66 -21.255 0.308 -1.388 521 HE2 LYS 66 2HE LYS 66 -20.438 -2.002 -1.347 522 HE3 LYS 66 1HE LYS 66 -18.910 -1.446 -0.678 523 HZ1 LYS 66 3HZ LYS 66 -20.136 -0.587 1.259 524 HZ2 LYS 66 1HZ LYS 66 -20.307 -2.250 1.084 525 HZ3 LYS 66 2HZ LYS 66 -21.571 -1.224 0.646 526 H THR 67 H THR 67 -15.783 2.353 -3.081 527 HA THR 67 HA THR 67 -13.543 0.769 -3.669 528 HB THR 67 HB THR 67 -13.424 3.735 -3.172 529 HG1 THR 67 1HG THR 67 -15.095 2.499 -4.862 530 HG21 THR 67 3HG2 THR 67 -11.760 3.668 -4.958 531 HG22 THR 67 1HG2 THR 67 -12.038 1.934 -5.144 532 HG23 THR 67 2HG2 THR 67 -11.318 2.558 -3.654 533 H LYS 68 H LYS 68 -14.248 3.022 -1.024 534 HA LYS 68 HA LYS 68 -11.837 2.981 0.324 535 HB2 LYS 68 2HB LYS 68 -13.651 4.538 0.767 536 HB3 LYS 68 1HB LYS 68 -14.648 3.231 1.387 537 HG2 LYS 68 2HG LYS 68 -12.990 2.899 3.203 538 HG3 LYS 68 1HG LYS 68 -12.105 4.301 2.603 539 HD2 LYS 68 2HD LYS 68 -14.980 4.328 3.463 540 HD3 LYS 68 1HD LYS 68 -13.634 4.812 4.502 541 HE2 LYS 68 2HE LYS 68 -13.083 6.601 2.902 542 HE3 LYS 68 1HE LYS 68 -14.431 6.101 1.878 543 HZ1 LYS 68 3HZ LYS 68 -15.043 7.970 3.239 544 HZ2 LYS 68 1HZ LYS 68 -14.646 7.154 4.649 545 HZ3 LYS 68 2HZ LYS 68 -15.933 6.634 3.714 546 H ALA 69 H ALA 69 -14.608 0.837 0.516 547 HA ALA 69 HA ALA 69 -13.683 -0.697 2.700 548 HB1 ALA 69 1HB ALA 69 -16.054 -0.583 2.075 549 HB2 ALA 69 2HB ALA 69 -15.474 -2.248 2.137 550 HB3 ALA 69 3HB ALA 69 -15.693 -1.448 0.581 551 H VAL 70 H VAL 70 -13.558 -1.248 -0.843 552 HA VAL 70 HA VAL 70 -12.259 -3.731 -0.494 553 HB VAL 70 HB VAL 70 -11.705 -3.719 -2.915 554 HG11 VAL 70 1HG1 VAL 70 -13.873 -4.528 -2.194 555 HG12 VAL 70 2HG1 VAL 70 -13.979 -3.749 -3.770 556 HG13 VAL 70 3HG1 VAL 70 -14.523 -2.895 -2.324 557 HG21 VAL 70 3HG2 VAL 70 -12.542 -1.918 -4.362 558 HG22 VAL 70 1HG2 VAL 70 -11.287 -1.348 -3.255 559 HG23 VAL 70 2HG2 VAL 70 -12.982 -1.000 -2.919 560 H GLU 71 H GLU 71 -10.951 -0.483 -1.115 561 HA GLU 71 HA GLU 71 -8.266 -1.250 -1.345 562 HB2 GLU 71 2HB GLU 71 -9.457 1.276 -0.197 563 HB3 GLU 71 1HB GLU 71 -7.734 1.056 -0.477 564 HG2 GLU 71 2HG GLU 71 -8.261 0.762 -2.882 565 HG3 GLU 71 1HG GLU 71 -9.945 1.156 -2.516 566 H ASN 72 H ASN 72 -10.172 -0.339 1.519 567 HA ASN 72 HA ASN 72 -8.219 -0.588 3.437 568 HB2 ASN 72 2HB ASN 72 -10.442 0.414 3.769 569 HB3 ASN 72 1HB ASN 72 -11.160 -1.187 3.653 570 HD21 ASN 72 1HD2 ASN 72 -9.232 0.921 5.520 571 HD22 ASN 72 2HD2 ASN 72 -9.303 0.022 6.986 572 H TYR 73 H TYR 73 -10.447 -2.992 2.096 573 HA TYR 73 HA TYR 73 -9.682 -5.052 3.811 574 HB2 TYR 73 2HB TYR 73 -11.770 -5.148 2.556 575 HB3 TYR 73 1HB TYR 73 -10.872 -5.278 1.048 576 HD1 TYR 73 1HD TYR 73 -10.884 -7.029 4.392 577 HD2 TYR 73 2HD TYR 73 -10.815 -7.364 0.152 578 HE1 TYR 73 1HE TYR 73 -10.905 -9.485 4.583 579 HE2 TYR 73 2HE TYR 73 -10.830 -9.803 0.334 580 HH TYR 73 HH TYR 73 -10.152 -11.476 1.976 581 H LEU 74 H LEU 74 -8.376 -4.118 0.644 582 HA LEU 74 HA LEU 74 -6.535 -6.271 0.627 583 HB2 LEU 74 2HB LEU 74 -6.532 -3.652 -0.865 584 HB3 LEU 74 1HB LEU 74 -5.128 -4.701 -0.855 585 HG LEU 74 HG LEU 74 -6.411 -4.993 -2.902 586 HD11 LEU 74 1HD1 LEU 74 -6.552 -7.415 -1.136 587 HD12 LEU 74 2HD1 LEU 74 -5.168 -6.875 -2.080 588 HD13 LEU 74 3HD1 LEU 74 -6.637 -7.404 -2.897 589 HD21 LEU 74 3HD2 LEU 74 -8.668 -5.931 -1.137 590 HD22 LEU 74 1HD2 LEU 74 -8.629 -6.030 -2.898 591 HD23 LEU 74 2HD2 LEU 74 -8.652 -4.455 -2.103 592 H ILE 75 H ILE 75 -6.302 -2.990 1.881 593 HA ILE 75 HA ILE 75 -3.638 -2.954 2.681 594 HB ILE 75 HB ILE 75 -6.035 -1.706 4.073 595 HG12 ILE 75 2HG1 ILE 75 -4.040 -0.514 2.116 596 HG13 ILE 75 1HG1 ILE 75 -5.697 -0.959 1.749 597 HG21 ILE 75 1HG2 ILE 75 -4.444 -0.173 5.166 598 HG22 ILE 75 2HG2 ILE 75 -3.104 -1.088 4.474 599 HG23 ILE 75 3HG2 ILE 75 -4.178 -1.852 5.637 600 HD11 ILE 75 3HD1 ILE 75 -4.829 1.188 3.674 601 HD12 ILE 75 1HD1 ILE 75 -6.496 0.754 3.297 602 HD13 ILE 75 2HD1 ILE 75 -5.458 1.441 2.047 603 H GLN 76 H GLN 76 -6.468 -4.137 4.452 604 HA GLN 76 HA GLN 76 -4.876 -5.048 6.637 605 HB2 GLN 76 2HB GLN 76 -7.018 -6.192 7.400 606 HB3 GLN 76 1HB GLN 76 -7.051 -4.431 7.315 607 HG2 GLN 76 2HG GLN 76 -8.271 -4.606 5.242 608 HG3 GLN 76 1HG GLN 76 -8.176 -6.368 5.321 609 HE21 GLN 76 1HE2 GLN 76 -10.475 -4.511 5.338 610 HE22 GLN 76 2HE2 GLN 76 -11.368 -4.962 6.743 611 H MET 77 H MET 77 -6.377 -6.712 3.915 612 HA MET 77 HA MET 77 -5.818 -9.300 4.897 613 HB2 MET 77 2HB MET 77 -7.562 -8.784 3.190 614 HB3 MET 77 1HB MET 77 -6.245 -8.444 2.066 615 HG2 MET 77 2HG MET 77 -5.539 -10.711 2.061 616 HG3 MET 77 1HG MET 77 -6.636 -11.111 3.375 617 HE1 MET 77 3HE MET 77 -6.415 -9.945 -0.389 618 HE2 MET 77 1HE MET 77 -7.563 -8.796 0.290 619 HE3 MET 77 2HE MET 77 -8.108 -10.000 -0.877 620 H ALA 78 H ALA 78 -3.982 -7.097 2.808 621 HA ALA 78 HA ALA 78 -2.015 -8.947 1.999 622 HB1 ALA 78 1HB ALA 78 -1.717 -5.965 2.353 623 HB2 ALA 78 2HB ALA 78 -2.368 -6.754 0.920 624 HB3 ALA 78 3HB ALA 78 -0.681 -7.010 1.376 625 H ARG 79 H ARG 79 -2.457 -7.085 4.857 626 HA ARG 79 HA ARG 79 0.145 -7.109 5.909 627 HB2 ARG 79 2HB ARG 79 -1.747 -5.624 6.596 628 HB3 ARG 79 1HB ARG 79 -2.480 -6.990 7.402 629 HG2 ARG 79 2HG ARG 79 0.240 -6.538 8.311 630 HG3 ARG 79 1HG ARG 79 -0.767 -5.108 8.508 631 HD2 ARG 79 2HD ARG 79 -1.008 -6.278 10.524 632 HD3 ARG 79 1HD ARG 79 -2.459 -6.648 9.611 633 HE ARG 79 HE ARG 79 -0.465 -8.615 9.172 634 HH11 ARG 79 1HH1 ARG 79 -2.873 -7.610 11.572 635 HH12 ARG 79 2HH1 ARG 79 -2.967 -9.117 12.341 636 HH21 ARG 79 1HH2 ARG 79 -0.596 -10.751 10.274 637 HH22 ARG 79 2HH2 ARG 79 -1.672 -10.942 11.555 638 H TYR 80 H TYR 80 -2.199 -9.627 5.677 639 HA TYR 80 HA TYR 80 -1.036 -11.153 7.852 640 HB2 TYR 80 2HB TYR 80 -3.154 -11.933 5.833 641 HB3 TYR 80 1HB TYR 80 -2.610 -12.972 7.142 642 HD1 TYR 80 2HD TYR 80 -3.133 -12.378 9.495 643 HD2 TYR 80 1HD TYR 80 -4.617 -10.117 6.232 644 HE1 TYR 80 2HE TYR 80 -4.776 -11.317 10.990 645 HE2 TYR 80 1HE TYR 80 -6.264 -9.045 7.711 646 HH TYR 80 HH TYR 80 -7.407 -9.601 9.865 647 H GLY 81 H GLY 81 -0.057 -10.493 4.786 648 HA2 GLY 81 2HA GLY 81 1.791 -11.307 3.685 649 HA3 GLY 81 1HA GLY 81 1.896 -12.604 4.867 650 H GLN 82 H GLN 82 -1.193 -12.527 3.743 651 HA GLN 82 HA GLN 82 -0.755 -14.896 2.196 652 HB2 GLN 82 2HB GLN 82 -3.211 -15.033 2.002 653 HB3 GLN 82 1HB GLN 82 -2.681 -14.842 3.661 654 HG2 GLN 82 2HG GLN 82 -3.262 -12.475 3.576 655 HG3 GLN 82 1HG GLN 82 -3.796 -12.669 1.908 656 HE21 GLN 82 1HE2 GLN 82 -5.707 -13.833 1.487 657 HE22 GLN 82 2HE2 GLN 82 -6.851 -14.132 2.722 658 H LEU 83 H LEU 83 -0.724 -11.672 1.506 659 HA LEU 83 HA LEU 83 -1.098 -12.268 -1.311 660 HB2 LEU 83 2HB LEU 83 -1.707 -9.749 0.163 661 HB3 LEU 83 1HB LEU 83 -1.147 -9.646 -1.491 662 HG LEU 83 HG LEU 83 -3.527 -9.493 -1.464 663 HD11 LEU 83 1HD1 LEU 83 -4.144 -11.296 -2.965 664 HD12 LEU 83 2HD1 LEU 83 -2.715 -12.203 -2.482 665 HD13 LEU 83 3HD1 LEU 83 -2.534 -10.675 -3.338 666 HD21 LEU 83 3HD2 LEU 83 -4.945 -11.334 -0.666 667 HD22 LEU 83 1HD2 LEU 83 -4.014 -10.564 0.628 668 HD23 LEU 83 2HD2 LEU 83 -3.501 -12.126 -0.033 669 H SER 84 H SER 84 0.733 -12.878 -1.915 670 HA SER 84 HA SER 84 2.817 -10.842 -2.092 671 HB2 SER 84 2HB SER 84 3.133 -13.837 -1.769 672 HB3 SER 84 1HB SER 84 4.468 -12.688 -1.960 673 HG SER 84 HG SER 84 2.839 -11.883 -0.036 674 H GLU 85 H GLU 85 0.417 -11.904 -3.514 675 HA GLU 85 HA GLU 85 1.578 -12.456 -6.122 676 HB2 GLU 85 2HB GLU 85 0.817 -14.508 -5.327 677 HB3 GLU 85 1HB GLU 85 -0.732 -13.880 -4.740 678 HG2 GLU 85 2HG GLU 85 -1.040 -15.208 -6.724 679 HG3 GLU 85 1HG GLU 85 -1.298 -13.518 -7.151 680 H LYS 86 H LYS 86 0.012 -11.919 -7.763 681 HA LYS 86 HA LYS 86 -1.269 -9.357 -7.225 682 HB2 LYS 86 2HB LYS 86 -0.973 -10.917 -9.789 683 HB3 LYS 86 1HB LYS 86 -1.581 -9.284 -9.601 684 HG2 LYS 86 2HG LYS 86 1.218 -10.155 -8.957 685 HG3 LYS 86 1HG LYS 86 0.705 -9.391 -10.462 686 HD2 LYS 86 2HD LYS 86 0.013 -7.404 -9.208 687 HD3 LYS 86 1HD LYS 86 0.510 -8.183 -7.706 688 HE2 LYS 86 2HE LYS 86 2.330 -7.538 -10.026 689 HE3 LYS 86 1HE LYS 86 2.205 -6.612 -8.535 690 HZ1 LYS 86 3HZ LYS 86 3.050 -9.473 -8.651 691 HZ2 LYS 86 1HZ LYS 86 3.026 -8.471 -7.301 692 HZ3 LYS 86 2HZ LYS 86 4.095 -8.160 -8.552 693 H VAL 87 H VAL 87 -3.458 -9.078 -7.307 694 HA VAL 87 HA VAL 87 -5.073 -11.472 -7.451 695 HB VAL 87 HB VAL 87 -5.321 -9.408 -5.815 696 HG11 VAL 87 1HG1 VAL 87 -7.047 -8.483 -8.074 697 HG12 VAL 87 2HG1 VAL 87 -5.598 -7.693 -7.466 698 HG13 VAL 87 3HG1 VAL 87 -7.038 -7.807 -6.443 699 HG21 VAL 87 3HG2 VAL 87 -7.712 -9.948 -5.476 700 HG22 VAL 87 1HG2 VAL 87 -6.706 -11.385 -5.667 701 HG23 VAL 87 2HG2 VAL 87 -7.701 -10.821 -7.009 702 H SER 88 H SER 88 -6.742 -11.719 -8.949 703 HA SER 88 HA SER 88 -6.294 -10.465 -11.514 704 HB2 SER 88 2HB SER 88 -8.435 -12.464 -10.773 705 HB3 SER 88 1HB SER 88 -7.648 -12.207 -12.334 706 HG SER 88 HG SER 88 -5.670 -12.876 -11.242 707 H GLU 89 H GLU 89 -8.274 -9.582 -12.675 708 HA GLU 89 HA GLU 89 -9.536 -7.541 -11.208 709 HB2 GLU 89 2HB GLU 89 -10.416 -8.812 -13.799 710 HB3 GLU 89 1HB GLU 89 -11.064 -7.326 -13.135 711 HG2 GLU 89 2HG GLU 89 -8.866 -6.279 -13.343 712 HG3 GLU 89 1HG GLU 89 -8.235 -7.778 -14.021 713 H GLN 90 H GLN 90 -10.664 -10.669 -12.251 714 HA GLN 90 HA GLN 90 -13.261 -10.392 -11.150 715 HB2 GLN 90 2HB GLN 90 -11.739 -12.736 -12.234 716 HB3 GLN 90 1HB GLN 90 -13.255 -12.994 -11.388 717 HG2 GLN 90 2HG GLN 90 -13.606 -12.947 -13.785 718 HG3 GLN 90 1HG GLN 90 -14.415 -11.591 -13.017 719 HE21 GLN 90 1HE2 GLN 90 -11.927 -12.585 -15.191 720 HE22 GLN 90 2HE2 GLN 90 -11.537 -11.030 -15.805 721 H GLY 91 H GLY 91 -10.269 -11.111 -9.782 722 HA2 GLY 91 2HA GLY 91 -11.267 -12.498 -7.452 723 HA3 GLY 91 1HA GLY 91 -9.638 -11.859 -7.674 724 H LEU 92 H LEU 92 -10.274 -9.254 -8.345 725 HA LEU 92 HA LEU 92 -10.733 -8.049 -5.807 726 HB2 LEU 92 2HB LEU 92 -9.298 -7.016 -7.509 727 HB3 LEU 92 1HB LEU 92 -10.670 -6.851 -8.584 728 HG LEU 92 HG LEU 92 -11.693 -5.264 -6.963 729 HD11 LEU 92 1HD1 LEU 92 -10.304 -4.290 -5.206 730 HD12 LEU 92 2HD1 LEU 92 -9.045 -5.477 -5.542 731 HD13 LEU 92 3HD1 LEU 92 -10.612 -6.002 -4.927 732 HD21 LEU 92 3HD2 LEU 92 -10.215 -3.389 -7.483 733 HD22 LEU 92 1HD2 LEU 92 -10.438 -4.442 -8.877 734 HD23 LEU 92 2HD2 LEU 92 -8.940 -4.516 -7.948 735 H ILE 93 H ILE 93 -12.637 -8.465 -8.733 736 HA ILE 93 HA ILE 93 -14.922 -7.064 -7.900 737 HB ILE 93 HB ILE 93 -14.634 -9.335 -9.900 738 HG12 ILE 93 2HG1 ILE 93 -14.980 -6.357 -10.312 739 HG13 ILE 93 1HG1 ILE 93 -13.441 -7.204 -10.390 740 HG21 ILE 93 1HG2 ILE 93 -17.038 -7.560 -9.451 741 HG22 ILE 93 2HG2 ILE 93 -16.942 -9.284 -9.108 742 HG23 ILE 93 3HG2 ILE 93 -16.845 -8.712 -10.774 743 HD11 ILE 93 3HD1 ILE 93 -14.339 -6.729 -12.600 744 HD12 ILE 93 1HD1 ILE 93 -15.795 -7.648 -12.214 745 HD13 ILE 93 2HD1 ILE 93 -14.231 -8.465 -12.316 746 H GLU 94 H GLU 94 -13.869 -10.361 -7.305 747 HA GLU 94 HA GLU 94 -16.253 -11.384 -6.206 748 HB2 GLU 94 2HB GLU 94 -14.049 -12.598 -6.837 749 HB3 GLU 94 1HB GLU 94 -13.481 -12.109 -5.254 750 HG2 GLU 94 2HG GLU 94 -14.282 -14.353 -5.105 751 HG3 GLU 94 1HG GLU 94 -15.424 -13.298 -4.263 752 H ILE 95 H ILE 95 -13.620 -9.495 -4.901 753 HA ILE 95 HA ILE 95 -14.419 -9.488 -2.168 754 HB ILE 95 HB ILE 95 -12.706 -7.511 -3.714 755 HG12 ILE 95 2HG1 ILE 95 -11.893 -9.822 -1.939 756 HG13 ILE 95 1HG1 ILE 95 -11.845 -9.827 -3.697 757 HG21 ILE 95 1HG2 ILE 95 -13.609 -6.535 -1.654 758 HG22 ILE 95 2HG2 ILE 95 -11.866 -6.747 -1.576 759 HG23 ILE 95 3HG2 ILE 95 -12.929 -7.874 -0.726 760 HD11 ILE 95 3HD1 ILE 95 -10.172 -8.038 -3.645 761 HD12 ILE 95 1HD1 ILE 95 -9.639 -9.467 -2.756 762 HD13 ILE 95 2HD1 ILE 95 -10.227 -8.053 -1.882 763 H LEU 96 H LEU 96 -14.833 -7.296 -4.882 764 HA LEU 96 HA LEU 96 -16.142 -5.201 -3.643 765 HB2 LEU 96 2HB LEU 96 -15.193 -5.181 -5.927 766 HB3 LEU 96 1HB LEU 96 -16.524 -6.178 -6.469 767 HG LEU 96 HG LEU 96 -18.081 -4.329 -5.855 768 HD11 LEU 96 1HD1 LEU 96 -15.529 -2.782 -5.444 769 HD12 LEU 96 2HD1 LEU 96 -16.720 -3.185 -4.205 770 HD13 LEU 96 3HD1 LEU 96 -17.147 -2.087 -5.518 771 HD21 LEU 96 3HD2 LEU 96 -15.909 -3.669 -7.840 772 HD22 LEU 96 1HD2 LEU 96 -17.506 -2.924 -7.785 773 HD23 LEU 96 2HD2 LEU 96 -17.342 -4.645 -8.147 774 H LYS 97 H LYS 97 -17.399 -8.244 -4.787 775 HA LYS 97 HA LYS 97 -20.159 -7.663 -4.659 776 HB2 LYS 97 2HB LYS 97 -18.799 -10.303 -4.153 777 HB3 LYS 97 1HB LYS 97 -20.502 -10.071 -4.502 778 HG2 LYS 97 2HG LYS 97 -19.988 -9.324 -6.728 779 HG3 LYS 97 1HG LYS 97 -18.254 -9.400 -6.376 780 HD2 LYS 97 2HD LYS 97 -18.577 -11.829 -5.840 781 HD3 LYS 97 1HD LYS 97 -20.208 -11.678 -6.489 782 HE2 LYS 97 2HE LYS 97 -19.352 -11.093 -8.649 783 HE3 LYS 97 1HE LYS 97 -17.703 -11.032 -8.020 784 HZ1 LYS 97 3HZ LYS 97 -19.409 -13.454 -8.280 785 HZ2 LYS 97 1HZ LYS 97 -17.945 -13.383 -7.428 786 HZ3 LYS 97 2HZ LYS 97 -17.963 -13.098 -9.083 787 H LYS 98 H LYS 98 -17.988 -9.256 -2.226 788 HA LYS 98 HA LYS 98 -20.089 -9.387 -0.298 789 HB2 LYS 98 2HB LYS 98 -18.370 -10.246 1.198 790 HB3 LYS 98 1HB LYS 98 -18.383 -11.099 -0.330 791 HG2 LYS 98 2HG LYS 98 -16.407 -9.752 -1.026 792 HG3 LYS 98 1HG LYS 98 -16.379 -9.042 0.593 793 HD2 LYS 98 2HD LYS 98 -16.255 -11.304 1.525 794 HD3 LYS 98 1HD LYS 98 -16.092 -11.963 -0.095 795 HE2 LYS 98 2HE LYS 98 -14.033 -10.616 -0.422 796 HE3 LYS 98 1HE LYS 98 -14.176 -10.028 1.230 797 HZ1 LYS 98 3HZ LYS 98 -13.896 -12.351 2.017 798 HZ2 LYS 98 1HZ LYS 98 -12.591 -11.854 1.078 799 HZ3 LYS 98 2HZ LYS 98 -13.740 -12.867 0.430 800 H VAL 99 H VAL 99 -17.604 -7.019 -0.887 801 HA VAL 99 HA VAL 99 -17.930 -5.759 1.625 802 HB VAL 99 HB VAL 99 -16.875 -3.781 0.768 803 HG11 VAL 99 1HG1 VAL 99 -15.604 -6.208 -0.441 804 HG12 VAL 99 2HG1 VAL 99 -15.418 -5.648 1.217 805 HG13 VAL 99 3HG1 VAL 99 -14.795 -4.674 -0.118 806 HG21 VAL 99 3HG2 VAL 99 -16.323 -3.501 -1.622 807 HG22 VAL 99 1HG2 VAL 99 -18.061 -3.507 -1.318 808 HG23 VAL 99 2HG2 VAL 99 -17.284 -4.939 -1.978 809 H SER 100 H SER 100 -20.104 -5.852 -0.946 810 HA SER 100 HA SER 100 -21.481 -3.472 -0.550 811 HB2 SER 100 2HB SER 100 -22.688 -6.164 -1.198 812 HB3 SER 100 1HB SER 100 -23.332 -4.574 -1.614 813 HG SER 100 HG SER 100 -21.182 -5.985 -2.716 814 H GLN 101 H GLN 101 -21.902 -6.656 0.991 815 HA GLN 101 HA GLN 101 -23.440 -5.365 3.102 816 HB2 GLN 101 2HB GLN 101 -23.344 -8.329 2.444 817 HB3 GLN 101 1HB GLN 101 -24.298 -7.599 3.720 818 HG2 GLN 101 2HG GLN 101 -25.914 -7.832 2.129 819 HG3 GLN 101 1HG GLN 101 -25.318 -6.235 1.699 820 HE21 GLN 101 1HE2 GLN 101 -26.682 -8.160 0.050 821 HE22 GLN 101 2HE2 GLN 101 -25.651 -8.497 -1.284 822 H GLN 102 H GLN 102 -21.387 -8.245 2.990 823 HA GLN 102 HA GLN 102 -20.094 -7.296 5.453 824 HB2 GLN 102 2HB GLN 102 -20.362 -10.160 4.520 825 HB3 GLN 102 1HB GLN 102 -19.486 -9.642 5.943 826 HG2 GLN 102 2HG GLN 102 -21.492 -10.448 6.784 827 HG3 GLN 102 1HG GLN 102 -21.708 -8.693 6.710 828 HE21 GLN 102 1HE2 GLN 102 -23.928 -8.990 6.703 829 HE22 GLN 102 2HE2 GLN 102 -24.786 -9.471 5.280 830 H THR 103 H THR 103 -18.417 -6.274 4.720 831 HA THR 103 HA THR 103 -16.609 -6.568 2.707 832 HB THR 103 HB THR 103 -15.657 -6.161 5.537 833 HG1 THR 103 1HG THR 103 -16.699 -4.283 5.657 834 HG21 THR 103 3HG2 THR 103 -15.017 -4.704 2.957 835 HG22 THR 103 1HG2 THR 103 -14.035 -6.003 3.647 836 HG23 THR 103 2HG2 THR 103 -14.227 -4.482 4.512 837 H GLU 104 H GLU 104 -16.395 -8.183 5.833 838 HA GLU 104 HA GLU 104 -16.120 -10.697 4.819 839 HB2 GLU 104 2HB GLU 104 -13.800 -9.996 4.179 840 HB3 GLU 104 1HB GLU 104 -13.454 -9.737 5.890 841 HG2 GLU 104 2HG GLU 104 -12.674 -11.936 5.037 842 HG3 GLU 104 1HG GLU 104 -13.810 -12.055 6.383 843 H LYS 105 H LYS 105 -16.802 -11.927 6.201 844 HA LYS 105 HA LYS 105 -16.407 -11.491 9.077 845 HB2 LYS 105 2HB LYS 105 -19.095 -11.618 7.755 846 HB3 LYS 105 1HB LYS 105 -18.863 -11.969 9.452 847 HG2 LYS 105 2HG LYS 105 -18.219 -9.372 8.089 848 HG3 LYS 105 1HG LYS 105 -19.670 -9.735 9.020 849 HD2 LYS 105 2HD LYS 105 -16.849 -9.813 10.155 850 HD3 LYS 105 1HD LYS 105 -17.898 -8.415 10.252 851 HE2 LYS 105 2HE LYS 105 -17.994 -9.557 12.359 852 HE3 LYS 105 1HE LYS 105 -19.531 -9.802 11.546 853 HZ1 LYS 105 3HZ LYS 105 -18.959 -12.073 11.117 854 HZ2 LYS 105 1HZ LYS 105 -18.578 -11.772 12.702 855 HZ3 LYS 105 2HZ LYS 105 -17.352 -11.857 11.582 856 H THR 106 H THR 106 -16.538 -13.620 6.492 857 HA THR 106 HA THR 106 -17.127 -15.800 8.314 858 HB THR 106 HB THR 106 -19.177 -15.345 7.059 859 HG1 THR 106 1HG THR 106 -19.097 -17.431 7.388 860 HG21 THR 106 3HG2 THR 106 -19.283 -15.604 4.619 861 HG22 THR 106 1HG2 THR 106 -17.534 -15.828 4.571 862 HG23 THR 106 2HG2 THR 106 -18.209 -14.279 5.075 863 H THR 107 H THR 107 -16.469 -17.875 7.371 864 HA THR 107 HA THR 107 -14.514 -17.820 5.265 865 HB THR 107 HB THR 107 -13.853 -19.071 7.965 866 HG1 THR 107 1HG THR 107 -13.567 -16.542 7.000 867 HG21 THR 107 3HG2 THR 107 -12.827 -20.169 5.996 868 HG22 THR 107 1HG2 THR 107 -11.610 -19.350 6.976 869 HG23 THR 107 2HG2 THR 107 -12.177 -18.615 5.479 870 H THR 108 H THR 108 -15.999 -18.902 4.109 871 HA THR 108 HA THR 108 -17.680 -20.894 4.936 872 HB THR 108 HB THR 108 -16.512 -20.665 2.162 873 HG1 THR 108 1HG THR 108 -17.430 -18.746 1.969 874 HG21 THR 108 3HG2 THR 108 -18.220 -22.412 2.611 875 HG22 THR 108 1HG2 THR 108 -18.823 -21.169 1.515 876 HG23 THR 108 2HG2 THR 108 -19.311 -21.162 3.209 877 H VAL 109 H VAL 109 -17.226 -22.872 5.610 878 HA VAL 109 HA VAL 109 -14.599 -23.998 5.473 879 HB VAL 109 HB VAL 109 -17.158 -25.369 6.349 880 HG11 VAL 109 1HG1 VAL 109 -15.688 -26.750 7.736 881 HG12 VAL 109 2HG1 VAL 109 -14.286 -25.912 7.076 882 HG13 VAL 109 3HG1 VAL 109 -15.299 -26.896 6.022 883 HG21 VAL 109 3HG2 VAL 109 -16.931 -23.293 7.584 884 HG22 VAL 109 1HG2 VAL 109 -15.266 -23.703 8.011 885 HG23 VAL 109 2HG2 VAL 109 -16.606 -24.666 8.640 886 H LYS 110 H LYS 110 -17.635 -24.362 3.880 887 HA LYS 110 HA LYS 110 -18.266 -25.167 1.872 888 HB2 LYS 110 2HB LYS 110 -15.389 -26.025 1.435 889 HB3 LYS 110 1HB LYS 110 -16.639 -26.009 0.214 890 HG2 LYS 110 2HG LYS 110 -15.548 -23.556 1.613 891 HG3 LYS 110 1HG LYS 110 -15.026 -24.146 0.042 892 HD2 LYS 110 2HD LYS 110 -17.854 -23.312 0.678 893 HD3 LYS 110 1HD LYS 110 -16.651 -22.247 -0.041 894 HE2 LYS 110 2HE LYS 110 -17.634 -24.841 -1.226 895 HE3 LYS 110 1HE LYS 110 -18.163 -23.231 -1.703 896 HZ1 LYS 110 3HZ LYS 110 -16.536 -24.172 -3.182 897 HZ2 LYS 110 1HZ LYS 110 -15.409 -24.314 -1.960 898 HZ3 LYS 110 2HZ LYS 110 -15.907 -22.784 -2.480 899 H PHE 111 H PHE 111 -19.401 -26.960 1.519 900 HA PHE 111 HA PHE 111 -18.504 -29.420 2.796 901 HB2 PHE 111 2HB PHE 111 -20.743 -30.345 2.105 902 HB3 PHE 111 1HB PHE 111 -20.876 -28.930 3.130 903 HD1 PHE 111 2HD PHE 111 -21.337 -30.243 -0.271 904 HD2 PHE 111 1HD PHE 111 -21.862 -26.899 2.309 905 HE1 PHE 111 2HE PHE 111 -22.850 -29.217 -1.916 906 HE2 PHE 111 1HE PHE 111 -23.380 -25.872 0.673 907 HZ PHE 111 HZ PHE 111 -23.874 -27.027 -1.443 908 H ASN 112 H ASN 112 -18.491 -27.771 -0.049 909 HA ASN 112 HA ASN 112 -17.086 -29.826 -1.466 910 HB2 ASN 112 2HB ASN 112 -19.363 -30.119 -2.300 911 HB3 ASN 112 1HB ASN 112 -19.548 -28.382 -2.500 912 HD21 ASN 112 1HD2 ASN 112 -16.636 -30.159 -3.376 913 HD22 ASN 112 2HD2 ASN 112 -16.808 -29.929 -5.069 Start of MODEL 18 1 H1 GLY 0 1HT GLY 0 -18.642 41.187 40.263 2 H2 GLY 0 2HT GLY 0 -19.933 40.196 40.707 3 H3 GLY 0 3HT GLY 0 -19.277 40.135 39.131 4 HA2 GLY 0 1HA GLY 0 -17.809 39.382 41.562 5 HA3 GLY 0 2HA GLY 0 -18.520 38.255 40.410 6 H SER 1 H SER 1 -16.877 37.403 39.283 7 HA SER 1 HA SER 1 -14.892 39.275 38.256 8 HB2 SER 1 2HB SER 1 -14.576 36.307 38.747 9 HB3 SER 1 1HB SER 1 -13.325 37.405 38.164 10 HG SER 1 HG SER 1 -13.096 38.236 40.095 11 H ALA 2 H ALA 2 -16.306 39.785 36.593 12 HA ALA 2 HA ALA 2 -17.523 37.928 34.862 13 HB1 ALA 2 1HB ALA 2 -18.278 40.244 35.138 14 HB2 ALA 2 2HB ALA 2 -17.979 39.832 33.451 15 HB3 ALA 2 3HB ALA 2 -16.806 40.800 34.343 16 H ASP 3 H ASP 3 -14.523 39.743 34.723 17 HA ASP 3 HA ASP 3 -13.869 39.021 32.090 18 HB2 ASP 3 2HB ASP 3 -12.085 39.971 34.329 19 HB3 ASP 3 1HB ASP 3 -11.631 39.865 32.633 20 H GLU 4 H GLU 4 -13.302 37.590 35.178 21 HA GLU 4 HA GLU 4 -11.373 35.641 34.420 22 HB2 GLU 4 2HB GLU 4 -11.748 36.174 36.756 23 HB3 GLU 4 1HB GLU 4 -13.431 35.700 36.634 24 HG2 GLU 4 2HG GLU 4 -12.177 34.025 37.826 25 HG3 GLU 4 1HG GLU 4 -12.752 33.382 36.294 26 H GLU 5 H GLU 5 -14.899 35.565 34.704 27 HA GLU 5 HA GLU 5 -15.160 32.919 33.785 28 HB2 GLU 5 2HB GLU 5 -17.145 35.177 33.955 29 HB3 GLU 5 1HB GLU 5 -17.567 33.525 33.523 30 HG2 GLU 5 2HG GLU 5 -16.715 32.751 35.694 31 HG3 GLU 5 1HG GLU 5 -16.341 34.412 36.126 32 H LEU 6 H LEU 6 -15.233 36.030 32.170 33 HA LEU 6 HA LEU 6 -15.953 35.054 29.619 34 HB2 LEU 6 2HB LEU 6 -16.189 37.409 30.293 35 HB3 LEU 6 1HB LEU 6 -14.452 37.557 30.399 36 HG LEU 6 HG LEU 6 -14.298 37.179 27.960 37 HD11 LEU 6 1HD1 LEU 6 -16.321 37.340 26.590 38 HD12 LEU 6 2HD1 LEU 6 -17.312 37.320 28.049 39 HD13 LEU 6 3HD1 LEU 6 -16.343 35.909 27.618 40 HD21 LEU 6 3HD2 LEU 6 -15.157 39.384 27.311 41 HD22 LEU 6 1HD2 LEU 6 -14.317 39.439 28.862 42 HD23 LEU 6 2HD2 LEU 6 -16.083 39.459 28.808 43 H GLU 7 H GLU 7 -12.901 35.453 31.308 44 HA GLU 7 HA GLU 7 -11.215 34.931 29.110 45 HB2 GLU 7 2HB GLU 7 -10.541 35.974 31.311 46 HB3 GLU 7 1HB GLU 7 -10.631 34.363 32.010 47 HG2 GLU 7 2HG GLU 7 -9.002 33.646 30.226 48 HG3 GLU 7 1HG GLU 7 -8.774 35.360 29.894 49 H ALA 8 H ALA 8 -12.727 32.948 31.583 50 HA ALA 8 HA ALA 8 -11.558 30.480 30.992 51 HB1 ALA 8 1HB ALA 8 -13.518 29.458 32.066 52 HB2 ALA 8 2HB ALA 8 -14.379 30.994 31.960 53 HB3 ALA 8 3HB ALA 8 -12.949 30.855 32.981 54 H LEU 9 H LEU 9 -14.185 32.182 29.503 55 HA LEU 9 HA LEU 9 -15.070 30.170 27.749 56 HB2 LEU 9 2HB LEU 9 -16.311 32.237 28.344 57 HB3 LEU 9 1HB LEU 9 -15.142 33.184 27.468 58 HG LEU 9 HG LEU 9 -16.909 31.149 26.091 59 HD11 LEU 9 1HD1 LEU 9 -18.294 32.745 27.305 60 HD12 LEU 9 2HD1 LEU 9 -18.381 33.002 25.564 61 HD13 LEU 9 3HD1 LEU 9 -17.409 34.080 26.565 62 HD21 LEU 9 3HD2 LEU 9 -14.953 31.978 24.816 63 HD22 LEU 9 1HD2 LEU 9 -15.498 33.633 25.081 64 HD23 LEU 9 2HD2 LEU 9 -16.473 32.524 24.115 65 H ARG 10 H ARG 10 -12.603 32.682 27.491 66 HA ARG 10 HA ARG 10 -11.906 32.081 24.817 67 HB2 ARG 10 2HB ARG 10 -11.378 34.251 25.898 68 HB3 ARG 10 1HB ARG 10 -10.194 33.444 26.913 69 HG2 ARG 10 2HG ARG 10 -8.954 32.781 24.897 70 HG3 ARG 10 1HG ARG 10 -10.116 33.670 23.912 71 HD2 ARG 10 2HD ARG 10 -8.195 35.066 24.257 72 HD3 ARG 10 1HD ARG 10 -9.549 35.710 25.189 73 HE ARG 10 HE ARG 10 -7.537 34.009 26.456 74 HH11 ARG 10 1HH1 ARG 10 -9.272 37.118 26.301 75 HH12 ARG 10 2HH1 ARG 10 -8.546 37.706 27.714 76 HH21 ARG 10 1HH2 ARG 10 -6.540 34.882 28.355 77 HH22 ARG 10 2HH2 ARG 10 -6.943 36.440 28.906 78 H ARG 11 H ARG 11 -10.771 31.001 27.942 79 HA ARG 11 HA ARG 11 -8.636 29.422 26.987 80 HB2 ARG 11 2HB ARG 11 -10.207 29.404 29.537 81 HB3 ARG 11 1HB ARG 11 -9.016 28.150 29.218 82 HG2 ARG 11 2HG ARG 11 -7.325 29.497 29.743 83 HG3 ARG 11 1HG ARG 11 -7.931 30.779 28.704 84 HD2 ARG 11 2HD ARG 11 -7.751 31.427 31.103 85 HD3 ARG 11 1HD ARG 11 -9.368 31.586 30.426 86 HE ARG 11 HE ARG 11 -9.245 29.089 31.576 87 HH11 ARG 11 1HH1 ARG 11 -8.774 32.416 32.808 88 HH12 ARG 11 2HH1 ARG 11 -9.668 32.160 34.225 89 HH21 ARG 11 1HH2 ARG 11 -10.388 28.713 33.552 90 HH22 ARG 11 2HH2 ARG 11 -10.548 29.973 34.693 91 H GLN 12 H GLN 12 -12.051 28.754 27.318 92 HA GLN 12 HA GLN 12 -12.007 26.023 26.645 93 HB2 GLN 12 2HB GLN 12 -13.999 27.230 27.489 94 HB3 GLN 12 1HB GLN 12 -14.068 28.146 25.995 95 HG2 GLN 12 2HG GLN 12 -14.441 26.010 24.778 96 HG3 GLN 12 1HG GLN 12 -14.539 25.198 26.343 97 HE21 GLN 12 1HE2 GLN 12 -16.070 27.425 24.197 98 HE22 GLN 12 2HE2 GLN 12 -17.618 27.423 24.949 99 H ARG 13 H ARG 13 -12.224 28.948 24.735 100 HA ARG 13 HA ARG 13 -12.289 27.834 22.156 101 HB2 ARG 13 2HB ARG 13 -13.008 30.115 22.752 102 HB3 ARG 13 1HB ARG 13 -11.371 30.535 23.176 103 HG2 ARG 13 2HG ARG 13 -12.073 29.752 20.369 104 HG3 ARG 13 1HG ARG 13 -12.392 31.375 20.962 105 HD2 ARG 13 2HD ARG 13 -9.960 31.523 21.583 106 HD3 ARG 13 1HD ARG 13 -9.736 29.984 20.742 107 HE ARG 13 HE ARG 13 -11.035 31.540 18.953 108 HH11 ARG 13 1HH1 ARG 13 -7.915 31.821 20.625 109 HH12 ARG 13 2HH1 ARG 13 -7.265 32.881 19.460 110 HH21 ARG 13 1HH2 ARG 13 -10.159 32.976 17.453 111 HH22 ARG 13 2HH2 ARG 13 -8.560 33.572 17.603 112 H LEU 14 H LEU 14 -9.703 28.611 24.312 113 HA LEU 14 HA LEU 14 -7.495 28.215 22.556 114 HB2 LEU 14 2HB LEU 14 -7.552 29.455 24.774 115 HB3 LEU 14 1HB LEU 14 -7.635 27.910 25.569 116 HG LEU 14 HG LEU 14 -5.275 28.884 23.931 117 HD11 LEU 14 1HD1 LEU 14 -5.628 30.233 25.907 118 HD12 LEU 14 2HD1 LEU 14 -4.209 29.198 26.121 119 HD13 LEU 14 3HD1 LEU 14 -5.738 28.780 26.898 120 HD21 LEU 14 3HD2 LEU 14 -5.406 26.421 24.078 121 HD22 LEU 14 1HD2 LEU 14 -5.517 26.540 25.834 122 HD23 LEU 14 2HD2 LEU 14 -4.049 27.059 25.007 123 H ALA 15 H ALA 15 -9.385 26.187 24.718 124 HA ALA 15 HA ALA 15 -7.777 23.873 24.543 125 HB1 ALA 15 1HB ALA 15 -9.314 24.265 26.406 126 HB2 ALA 15 2HB ALA 15 -9.629 22.720 25.616 127 HB3 ALA 15 3HB ALA 15 -10.681 24.105 25.304 128 H GLU 16 H GLU 16 -10.322 25.154 22.606 129 HA GLU 16 HA GLU 16 -10.937 22.926 21.013 130 HB2 GLU 16 2HB GLU 16 -10.734 25.813 20.131 131 HB3 GLU 16 1HB GLU 16 -11.623 24.542 19.310 132 HG2 GLU 16 2HG GLU 16 -12.200 25.618 22.045 133 HG3 GLU 16 1HG GLU 16 -13.099 26.020 20.590 134 H LEU 17 H LEU 17 -8.412 25.352 20.811 135 HA LEU 17 HA LEU 17 -7.161 24.289 18.495 136 HB2 LEU 17 2HB LEU 17 -7.090 26.690 19.177 137 HB3 LEU 17 1HB LEU 17 -6.136 26.261 20.572 138 HG LEU 17 HG LEU 17 -4.926 27.387 18.655 139 HD11 LEU 17 1HD1 LEU 17 -2.919 26.001 18.775 140 HD12 LEU 17 2HD1 LEU 17 -3.864 24.707 19.513 141 HD13 LEU 17 3HD1 LEU 17 -3.658 26.240 20.359 142 HD21 LEU 17 3HD2 LEU 17 -4.259 25.997 16.751 143 HD22 LEU 17 1HD2 LEU 17 -6.004 26.242 16.811 144 HD23 LEU 17 2HD2 LEU 17 -5.307 24.706 17.332 145 H GLN 18 H GLN 18 -7.059 23.777 21.878 146 HA GLN 18 HA GLN 18 -6.385 21.984 23.122 147 HB2 GLN 18 2HB GLN 18 -6.858 20.724 20.968 148 HB3 GLN 18 1HB GLN 18 -5.143 20.853 20.619 149 HG2 GLN 18 2HG GLN 18 -4.682 19.684 22.707 150 HG3 GLN 18 1HG GLN 18 -6.400 19.481 22.957 151 HE21 GLN 18 1HE2 GLN 18 -6.259 17.253 22.883 152 HE22 GLN 18 2HE2 GLN 18 -6.060 16.388 21.398 153 H ALA 19 H ALA 19 -4.624 24.326 22.103 154 HA ALA 19 HA ALA 19 -2.560 25.241 22.556 155 HB1 ALA 19 1HB ALA 19 -3.334 24.842 24.862 156 HB2 ALA 19 2HB ALA 19 -1.585 24.665 24.745 157 HB3 ALA 19 3HB ALA 19 -2.615 23.232 24.825 158 H LYS 20 H LYS 20 -2.616 23.134 20.674 159 HA LYS 20 HA LYS 20 -0.547 21.278 21.224 160 HB2 LYS 20 2HB LYS 20 -0.901 20.472 18.938 161 HB3 LYS 20 1HB LYS 20 -2.379 20.583 19.875 162 HG2 LYS 20 2HG LYS 20 -2.940 22.688 18.714 163 HG3 LYS 20 1HG LYS 20 -1.473 22.518 17.751 164 HD2 LYS 20 2HD LYS 20 -3.379 21.722 16.477 165 HD3 LYS 20 1HD LYS 20 -2.323 20.370 16.885 166 HE2 LYS 20 2HE LYS 20 -3.816 19.768 18.746 167 HE3 LYS 20 1HE LYS 20 -4.857 21.130 18.347 168 HZ1 LYS 20 3HZ LYS 20 -5.359 20.102 16.244 169 HZ2 LYS 20 1HZ LYS 20 -5.669 19.014 17.500 170 HZ3 LYS 20 2HZ LYS 20 -4.287 18.819 16.584 171 H HIS 21 H HIS 21 1.467 21.496 21.096 172 HA HIS 21 HA HIS 21 2.598 22.386 18.705 173 HB2 HIS 21 2HB HIS 21 4.346 23.928 19.611 174 HB3 HIS 21 1HB HIS 21 2.736 24.578 19.783 175 HD1 HIS 21 1HD HIS 21 2.060 25.307 22.109 176 HD2 HIS 21 2HD HIS 21 5.594 23.136 22.076 177 HE1 HIS 21 1HE HIS 21 3.098 25.650 24.367 178 HE2 HIS 21 2HE HIS 21 5.360 24.588 24.164 179 H GLY 22 H GLY 22 2.553 20.243 18.789 180 HA2 GLY 22 2HA GLY 22 5.026 18.985 19.035 181 HA3 GLY 22 1HA GLY 22 4.072 18.559 20.470 182 H ASP 23 H ASP 23 3.162 19.333 17.256 183 HA ASP 23 HA ASP 23 1.633 16.858 16.936 184 HB2 ASP 23 2HB ASP 23 -0.247 18.250 16.191 185 HB3 ASP 23 1HB ASP 23 0.182 18.642 17.855 186 HA PRO 24 HA PRO 24 3.152 17.406 12.740 187 HB2 PRO 24 2HB PRO 24 0.982 16.526 11.281 188 HB3 PRO 24 1HB PRO 24 2.160 15.453 12.038 189 HG2 PRO 24 2HG PRO 24 -0.558 16.248 12.970 190 HG3 PRO 24 1HG PRO 24 0.252 14.677 13.080 191 HD2 PRO 24 2HD PRO 24 0.053 16.365 15.197 192 HD3 PRO 24 1HD PRO 24 1.429 15.271 14.959 193 H GLY 25 H GLY 25 -0.286 18.408 13.173 194 HA2 GLY 25 2HA GLY 25 -0.810 20.735 13.002 195 HA3 GLY 25 1HA GLY 25 0.345 20.833 11.670 196 H ASP 26 H ASP 26 -2.445 21.506 11.641 197 HA ASP 26 HA ASP 26 -4.067 19.554 10.457 198 HB2 ASP 26 2HB ASP 26 -5.080 21.555 11.257 199 HB3 ASP 26 1HB ASP 26 -4.091 22.563 10.214 200 H ALA 27 H ALA 27 -1.837 21.810 9.027 201 HA ALA 27 HA ALA 27 -2.446 21.193 6.312 202 HB1 ALA 27 1HB ALA 27 -1.303 23.278 6.935 203 HB2 ALA 27 2HB ALA 27 -0.370 22.368 5.747 204 HB3 ALA 27 3HB ALA 27 0.105 22.347 7.447 205 H ALA 28 H ALA 28 -0.153 19.953 8.630 206 HA ALA 28 HA ALA 28 1.179 18.263 6.804 207 HB1 ALA 28 1HB ALA 28 2.252 17.287 8.766 208 HB2 ALA 28 2HB ALA 28 1.125 18.158 9.810 209 HB3 ALA 28 3HB ALA 28 2.276 19.050 8.814 210 H GLN 29 H GLN 29 -1.640 17.918 8.830 211 HA GLN 29 HA GLN 29 -1.873 15.122 8.598 212 HB2 GLN 29 2HB GLN 29 -4.023 17.201 8.955 213 HB3 GLN 29 1HB GLN 29 -4.324 15.474 9.011 214 HG2 GLN 29 2HG GLN 29 -2.758 15.324 10.931 215 HG3 GLN 29 1HG GLN 29 -2.627 17.086 10.900 216 HE21 GLN 29 1HE2 GLN 29 -3.546 17.305 12.946 217 HE22 GLN 29 2HE2 GLN 29 -5.229 17.030 13.203 218 H GLN 30 H GLN 30 -2.734 17.741 6.495 219 HA GLN 30 HA GLN 30 -4.168 16.166 4.623 220 HB2 GLN 30 2HB GLN 30 -4.424 18.608 4.697 221 HB3 GLN 30 1HB GLN 30 -2.737 18.822 4.270 222 HG2 GLN 30 2HG GLN 30 -4.126 19.263 2.366 223 HG3 GLN 30 1HG GLN 30 -3.190 17.801 2.073 224 HE21 GLN 30 1HE2 GLN 30 -5.585 18.681 0.771 225 HE22 GLN 30 2HE2 GLN 30 -6.783 17.464 1.029 226 H GLU 31 H GLU 31 -0.794 16.880 5.162 227 HA GLU 31 HA GLU 31 0.186 15.688 2.752 228 HB2 GLU 31 2HB GLU 31 1.575 15.982 5.413 229 HB3 GLU 31 1HB GLU 31 2.354 15.596 3.890 230 HG2 GLU 31 2HG GLU 31 1.666 17.804 3.044 231 HG3 GLU 31 1HG GLU 31 1.027 18.180 4.649 232 H ALA 32 H ALA 32 -0.442 14.613 6.022 233 HA ALA 32 HA ALA 32 0.457 11.973 5.739 234 HB1 ALA 32 1HB ALA 32 -0.852 11.498 7.757 235 HB2 ALA 32 2HB ALA 32 -1.695 13.037 7.576 236 HB3 ALA 32 3HB ALA 32 0.030 13.015 7.926 237 H LYS 33 H LYS 33 -2.623 13.500 5.099 238 HA LYS 33 HA LYS 33 -4.113 11.217 4.343 239 HB2 LYS 33 2HB LYS 33 -5.102 13.444 4.778 240 HB3 LYS 33 1HB LYS 33 -4.307 14.067 3.344 241 HG2 LYS 33 2HG LYS 33 -6.595 13.670 2.804 242 HG3 LYS 33 1HG LYS 33 -5.601 12.457 1.998 243 HD2 LYS 33 2HD LYS 33 -6.179 10.794 3.624 244 HD3 LYS 33 1HD LYS 33 -7.036 11.980 4.608 245 HE2 LYS 33 2HE LYS 33 -7.787 11.126 1.810 246 HE3 LYS 33 1HE LYS 33 -8.581 10.604 3.292 247 HZ1 LYS 33 3HZ LYS 33 -9.276 12.893 3.687 248 HZ2 LYS 33 1HZ LYS 33 -9.765 12.396 2.145 249 HZ3 LYS 33 2HZ LYS 33 -8.452 13.427 2.341 250 H HIS 34 H HIS 34 -2.022 13.403 2.562 251 HA HIS 34 HA HIS 34 -2.248 12.287 -0.016 252 HB2 HIS 34 2HB HIS 34 -1.102 14.447 0.492 253 HB3 HIS 34 1HB HIS 34 0.162 13.556 1.309 254 HD1 HIS 34 1HD HIS 34 1.803 12.087 -0.294 255 HD2 HIS 34 2HD HIS 34 -0.845 14.651 -2.222 256 HE1 HIS 34 1HE HIS 34 2.731 12.437 -2.529 257 HE2 HIS 34 2HE HIS 34 1.044 13.766 -3.765 258 H ARG 35 H ARG 35 -0.136 11.625 2.710 259 HA ARG 35 HA ARG 35 1.500 9.665 1.568 260 HB2 ARG 35 2HB ARG 35 1.817 10.950 3.750 261 HB3 ARG 35 1HB ARG 35 0.705 9.799 4.473 262 HG2 ARG 35 2HG ARG 35 2.571 8.668 4.985 263 HG3 ARG 35 1HG ARG 35 2.493 8.128 3.309 264 HD2 ARG 35 2HD ARG 35 4.072 10.486 4.356 265 HD3 ARG 35 1HD ARG 35 4.732 8.924 3.907 266 HE ARG 35 HE ARG 35 3.459 9.935 1.632 267 HH11 ARG 35 1HH1 ARG 35 6.081 10.972 3.741 268 HH12 ARG 35 2HH1 ARG 35 6.964 11.733 2.499 269 HH21 ARG 35 1HH2 ARG 35 4.689 10.873 -0.071 270 HH22 ARG 35 2HH2 ARG 35 6.162 11.678 0.252 271 H GLU 36 H GLU 36 -1.668 9.522 3.083 272 HA GLU 36 HA GLU 36 -1.944 6.791 3.485 273 HB2 GLU 36 2HB GLU 36 -4.021 8.849 2.727 274 HB3 GLU 36 1HB GLU 36 -4.421 7.203 3.195 275 HG2 GLU 36 2HG GLU 36 -2.864 9.091 4.892 276 HG3 GLU 36 1HG GLU 36 -4.626 8.937 5.001 277 H ALA 37 H ALA 37 -2.760 8.748 0.659 278 HA ALA 37 HA ALA 37 -3.654 6.716 -1.070 279 HB1 ALA 37 1HB ALA 37 -2.236 9.291 -1.744 280 HB2 ALA 37 2HB ALA 37 -3.976 9.111 -1.515 281 HB3 ALA 37 3HB ALA 37 -3.170 8.300 -2.862 282 H GLU 38 H GLU 38 -0.456 8.048 -0.546 283 HA GLU 38 HA GLU 38 0.922 6.532 -2.460 284 HB2 GLU 38 2HB GLU 38 1.884 7.647 0.166 285 HB3 GLU 38 1HB GLU 38 2.925 7.100 -1.136 286 HG2 GLU 38 2HG GLU 38 2.105 8.828 -2.586 287 HG3 GLU 38 1HG GLU 38 0.929 9.327 -1.369 288 H MET 39 H MET 39 0.368 5.977 0.964 289 HA MET 39 HA MET 39 1.764 3.530 1.140 290 HB2 MET 39 2HB MET 39 -0.399 4.684 2.892 291 HB3 MET 39 1HB MET 39 0.466 3.202 3.270 292 HG2 MET 39 2HG MET 39 2.555 4.397 3.375 293 HG3 MET 39 1HG MET 39 1.768 5.880 2.859 294 HE1 MET 39 3HE MET 39 0.982 3.883 6.957 295 HE2 MET 39 1HE MET 39 2.063 3.205 5.746 296 HE3 MET 39 2HE MET 39 0.322 3.238 5.457 297 H ARG 40 H ARG 40 -1.631 4.213 0.483 298 HA ARG 40 HA ARG 40 -2.395 1.486 0.299 299 HB2 ARG 40 2HB ARG 40 -3.587 4.032 -0.685 300 HB3 ARG 40 1HB ARG 40 -4.091 2.555 -1.466 301 HG2 ARG 40 2HG ARG 40 -5.715 3.032 0.149 302 HG3 ARG 40 1HG ARG 40 -4.769 1.706 0.796 303 HD2 ARG 40 2HD ARG 40 -4.304 4.586 1.544 304 HD3 ARG 40 1HD ARG 40 -5.428 3.551 2.403 305 HE ARG 40 HE ARG 40 -2.868 2.358 2.283 306 HH11 ARG 40 1HH1 ARG 40 -4.684 4.906 3.886 307 HH12 ARG 40 2HH1 ARG 40 -3.735 4.959 5.284 308 HH21 ARG 40 1HH2 ARG 40 -1.550 2.345 4.255 309 HH22 ARG 40 2HH2 ARG 40 -1.913 3.460 5.495 310 H ASN 41 H ASN 41 -1.448 3.852 -2.154 311 HA ASN 41 HA ASN 41 -1.745 2.236 -4.384 312 HB2 ASN 41 2HB ASN 41 -1.515 4.644 -4.525 313 HB3 ASN 41 1HB ASN 41 0.146 4.547 -3.967 314 HD21 ASN 41 1HD2 ASN 41 1.767 4.096 -5.417 315 HD22 ASN 41 2HD2 ASN 41 1.488 3.843 -7.100 316 H SER 42 H SER 42 1.103 2.692 -2.355 317 HA SER 42 HA SER 42 2.889 1.236 -3.886 318 HB2 SER 42 2HB SER 42 2.758 1.662 -0.911 319 HB3 SER 42 1HB SER 42 4.157 1.032 -1.783 320 HG SER 42 HG SER 42 3.022 3.612 -1.832 321 H ILE 43 H ILE 43 0.770 0.091 -1.208 322 HA ILE 43 HA ILE 43 1.742 -2.554 -1.645 323 HB ILE 43 HB ILE 43 0.154 -3.375 0.014 324 HG12 ILE 43 2HG1 ILE 43 -0.882 -0.522 0.263 325 HG13 ILE 43 1HG1 ILE 43 -1.754 -1.848 -0.500 326 HG21 ILE 43 1HG2 ILE 43 2.258 -2.529 0.795 327 HG22 ILE 43 2HG2 ILE 43 1.000 -2.156 1.970 328 HG23 ILE 43 3HG2 ILE 43 1.607 -0.893 0.896 329 HD11 ILE 43 3HD1 ILE 43 -2.533 -1.405 1.743 330 HD12 ILE 43 1HD1 ILE 43 -0.914 -1.696 2.381 331 HD13 ILE 43 2HD1 ILE 43 -1.811 -3.013 1.627 332 H LEU 44 H LEU 44 -1.126 -0.785 -2.602 333 HA LEU 44 HA LEU 44 -2.573 -2.975 -3.615 334 HB2 LEU 44 2HB LEU 44 -2.662 -0.078 -4.452 335 HB3 LEU 44 1HB LEU 44 -3.798 -1.295 -4.985 336 HG LEU 44 HG LEU 44 -3.426 -0.380 -2.132 337 HD11 LEU 44 1HD1 LEU 44 -5.620 0.174 -4.109 338 HD12 LEU 44 2HD1 LEU 44 -4.430 1.333 -3.526 339 HD13 LEU 44 3HD1 LEU 44 -5.620 0.651 -2.413 340 HD21 LEU 44 3HD2 LEU 44 -5.468 -1.673 -1.696 341 HD22 LEU 44 1HD2 LEU 44 -4.148 -2.708 -2.239 342 HD23 LEU 44 2HD2 LEU 44 -5.443 -2.269 -3.355 343 H ALA 45 H ALA 45 0.028 -1.145 -4.975 344 HA ALA 45 HA ALA 45 -0.252 -2.041 -7.638 345 HB1 ALA 45 1HB ALA 45 2.065 -1.307 -7.904 346 HB2 ALA 45 2HB ALA 45 2.214 -1.154 -6.149 347 HB3 ALA 45 3HB ALA 45 1.103 -0.111 -7.032 348 H GLN 46 H GLN 46 1.113 -3.470 -4.778 349 HA GLN 46 HA GLN 46 2.324 -5.632 -6.322 350 HB2 GLN 46 2HB GLN 46 2.480 -4.931 -3.394 351 HB3 GLN 46 1HB GLN 46 3.221 -6.357 -4.099 352 HG2 GLN 46 2HG GLN 46 3.866 -3.491 -4.749 353 HG3 GLN 46 1HG GLN 46 4.867 -4.618 -3.833 354 HE21 GLN 46 1HE2 GLN 46 5.842 -6.339 -4.931 355 HE22 GLN 46 2HE2 GLN 46 6.075 -6.309 -6.640 356 H VAL 47 H VAL 47 -0.346 -4.943 -4.314 357 HA VAL 47 HA VAL 47 -1.070 -7.746 -3.975 358 HB VAL 47 HB VAL 47 -2.441 -5.209 -3.030 359 HG11 VAL 47 1HG1 VAL 47 -3.111 -8.085 -2.385 360 HG12 VAL 47 2HG1 VAL 47 -4.089 -6.967 -3.332 361 HG13 VAL 47 3HG1 VAL 47 -3.809 -6.660 -1.615 362 HG21 VAL 47 3HG2 VAL 47 -0.840 -7.255 -1.499 363 HG22 VAL 47 1HG2 VAL 47 -1.674 -5.861 -0.813 364 HG23 VAL 47 2HG2 VAL 47 -0.323 -5.619 -1.916 365 H LEU 48 H LEU 48 -2.270 -4.958 -5.768 366 HA LEU 48 HA LEU 48 -4.169 -6.808 -6.965 367 HB2 LEU 48 2HB LEU 48 -4.037 -3.811 -7.064 368 HB3 LEU 48 1HB LEU 48 -5.188 -4.786 -7.949 369 HG LEU 48 HG LEU 48 -4.985 -4.545 -4.937 370 HD11 LEU 48 1HD1 LEU 48 -7.046 -3.511 -6.871 371 HD12 LEU 48 2HD1 LEU 48 -5.863 -2.551 -5.984 372 HD13 LEU 48 3HD1 LEU 48 -7.134 -3.407 -5.111 373 HD21 LEU 48 3HD2 LEU 48 -6.920 -6.099 -6.656 374 HD22 LEU 48 1HD2 LEU 48 -7.100 -5.818 -4.919 375 HD23 LEU 48 2HD2 LEU 48 -5.735 -6.750 -5.518 376 H ASP 49 H ASP 49 -3.858 -7.512 -8.838 377 HA ASP 49 HA ASP 49 -1.648 -7.044 -10.466 378 HB2 ASP 49 2HB ASP 49 -2.984 -9.066 -10.643 379 HB3 ASP 49 1HB ASP 49 -4.389 -8.135 -11.129 380 H GLN 50 H GLN 50 -1.578 -6.066 -12.495 381 HA GLN 50 HA GLN 50 -2.245 -3.405 -12.704 382 HB2 GLN 50 2HB GLN 50 -1.654 -5.459 -14.793 383 HB3 GLN 50 1HB GLN 50 -1.872 -3.764 -15.181 384 HG2 GLN 50 2HG GLN 50 0.020 -3.188 -13.754 385 HG3 GLN 50 1HG GLN 50 0.183 -4.867 -13.261 386 HE21 GLN 50 1HE2 GLN 50 0.642 -2.578 -15.828 387 HE22 GLN 50 2HE2 GLN 50 1.702 -3.565 -16.769 388 H SER 51 H SER 51 -4.080 -6.169 -13.755 389 HA SER 51 HA SER 51 -6.041 -4.713 -15.251 390 HB2 SER 51 2HB SER 51 -6.305 -7.474 -14.047 391 HB3 SER 51 1HB SER 51 -7.181 -6.807 -15.418 392 HG SER 51 HG SER 51 -4.446 -7.487 -15.244 393 H ALA 52 H ALA 52 -5.718 -5.907 -11.967 394 HA ALA 52 HA ALA 52 -8.403 -5.359 -11.203 395 HB1 ALA 52 1HB ALA 52 -7.101 -7.063 -10.052 396 HB2 ALA 52 2HB ALA 52 -7.590 -5.809 -8.909 397 HB3 ALA 52 3HB ALA 52 -5.939 -5.850 -9.532 398 H ARG 53 H ARG 53 -5.324 -3.686 -10.989 399 HA ARG 53 HA ARG 53 -6.136 -1.467 -9.469 400 HB2 ARG 53 2HB ARG 53 -4.039 -1.653 -11.639 401 HB3 ARG 53 1HB ARG 53 -4.305 -0.206 -10.687 402 HG2 ARG 53 2HG ARG 53 -3.439 -2.887 -9.588 403 HG3 ARG 53 1HG ARG 53 -2.402 -1.495 -9.882 404 HD2 ARG 53 2HD ARG 53 -4.649 -1.706 -7.864 405 HD3 ARG 53 1HD ARG 53 -2.929 -1.578 -7.552 406 HE ARG 53 HE ARG 53 -4.701 0.578 -8.437 407 HH11 ARG 53 1HH1 ARG 53 -1.418 -0.386 -7.531 408 HH12 ARG 53 2HH1 ARG 53 -0.901 1.205 -7.213 409 HH21 ARG 53 1HH2 ARG 53 -4.012 2.705 -7.963 410 HH22 ARG 53 2HH2 ARG 53 -2.407 3.010 -7.454 411 H ALA 54 H ALA 54 -6.427 -2.089 -12.912 412 HA ALA 54 HA ALA 54 -7.398 0.454 -13.668 413 HB1 ALA 54 1HB ALA 54 -7.911 -2.232 -14.942 414 HB2 ALA 54 2HB ALA 54 -6.532 -1.183 -15.273 415 HB3 ALA 54 3HB ALA 54 -8.167 -0.659 -15.697 416 H ARG 55 H ARG 55 -8.975 -2.491 -12.632 417 HA ARG 55 HA ARG 55 -11.647 -1.593 -12.914 418 HB2 ARG 55 2HB ARG 55 -10.315 -3.863 -11.534 419 HB3 ARG 55 1HB ARG 55 -11.925 -3.441 -10.982 420 HG2 ARG 55 2HG ARG 55 -11.901 -5.251 -12.670 421 HG3 ARG 55 1HG ARG 55 -12.848 -3.850 -13.145 422 HD2 ARG 55 2HD ARG 55 -11.013 -3.101 -14.591 423 HD3 ARG 55 1HD ARG 55 -10.046 -4.486 -14.090 424 HE ARG 55 HE ARG 55 -11.634 -5.927 -15.184 425 HH11 ARG 55 1HH1 ARG 55 -11.768 -2.508 -16.131 426 HH12 ARG 55 2HH1 ARG 55 -12.647 -2.818 -17.553 427 HH21 ARG 55 1HH2 ARG 55 -12.852 -6.309 -17.126 428 HH22 ARG 55 2HH2 ARG 55 -13.294 -5.014 -18.124 429 H LEU 56 H LEU 56 -9.474 -1.673 -10.154 430 HA LEU 56 HA LEU 56 -11.144 -0.604 -8.198 431 HB2 LEU 56 2HB LEU 56 -8.922 -1.588 -7.772 432 HB3 LEU 56 1HB LEU 56 -8.171 -0.204 -8.538 433 HG LEU 56 HG LEU 56 -9.159 1.235 -6.743 434 HD11 LEU 56 1HD1 LEU 56 -9.835 -1.414 -5.494 435 HD12 LEU 56 2HD1 LEU 56 -10.980 -0.198 -6.058 436 HD13 LEU 56 3HD1 LEU 56 -9.922 0.155 -4.695 437 HD21 LEU 56 3HD2 LEU 56 -7.537 0.602 -5.054 438 HD22 LEU 56 1HD2 LEU 56 -6.831 0.484 -6.665 439 HD23 LEU 56 2HD2 LEU 56 -7.344 -0.979 -5.806 440 H SER 57 H SER 57 -9.041 1.017 -10.523 441 HA SER 57 HA SER 57 -9.421 3.620 -9.631 442 HB2 SER 57 2HB SER 57 -8.724 2.529 -12.333 443 HB3 SER 57 1HB SER 57 -8.581 4.225 -11.881 444 HG SER 57 HG SER 57 -7.084 1.998 -11.132 445 H ASN 58 H ASN 58 -11.139 1.730 -12.033 446 HA ASN 58 HA ASN 58 -12.895 3.785 -12.882 447 HB2 ASN 58 2HB ASN 58 -12.603 1.694 -14.177 448 HB3 ASN 58 1HB ASN 58 -13.431 0.796 -12.907 449 HD21 ASN 58 1HD2 ASN 58 -15.685 0.886 -12.803 450 HD22 ASN 58 2HD2 ASN 58 -16.626 1.704 -13.993 451 H LEU 59 H LEU 59 -13.232 1.325 -10.338 452 HA LEU 59 HA LEU 59 -15.821 1.975 -9.529 453 HB2 LEU 59 2HB LEU 59 -13.534 0.611 -8.225 454 HB3 LEU 59 1HB LEU 59 -14.801 1.195 -7.180 455 HG LEU 59 HG LEU 59 -15.134 -1.141 -7.660 456 HD11 LEU 59 1HD1 LEU 59 -17.408 -1.111 -8.505 457 HD12 LEU 59 2HD1 LEU 59 -17.179 0.525 -9.101 458 HD13 LEU 59 3HD1 LEU 59 -17.119 0.205 -7.368 459 HD21 LEU 59 3HD2 LEU 59 -15.241 -0.355 -10.567 460 HD22 LEU 59 1HD2 LEU 59 -15.619 -1.955 -9.926 461 HD23 LEU 59 2HD2 LEU 59 -13.979 -1.314 -9.792 462 H ALA 60 H ALA 60 -12.784 3.434 -8.754 463 HA ALA 60 HA ALA 60 -13.487 4.961 -6.523 464 HB1 ALA 60 1HB ALA 60 -11.455 5.639 -8.627 465 HB2 ALA 60 2HB ALA 60 -11.174 4.562 -7.262 466 HB3 ALA 60 3HB ALA 60 -11.504 6.276 -6.986 467 H LEU 61 H LEU 61 -14.282 5.460 -9.830 468 HA LEU 61 HA LEU 61 -14.958 8.245 -9.357 469 HB2 LEU 61 2HB LEU 61 -14.914 6.573 -11.846 470 HB3 LEU 61 1HB LEU 61 -15.783 8.088 -11.815 471 HG LEU 61 HG LEU 61 -13.639 9.238 -11.257 472 HD11 LEU 61 1HD1 LEU 61 -11.532 8.090 -11.644 473 HD12 LEU 61 2HD1 LEU 61 -12.394 6.563 -11.833 474 HD13 LEU 61 3HD1 LEU 61 -12.410 7.398 -10.281 475 HD21 LEU 61 3HD2 LEU 61 -14.472 9.195 -13.523 476 HD22 LEU 61 1HD2 LEU 61 -13.680 7.643 -13.809 477 HD23 LEU 61 2HD2 LEU 61 -12.711 9.087 -13.511 478 H VAL 62 H VAL 62 -16.517 5.181 -9.527 479 HA VAL 62 HA VAL 62 -19.070 6.528 -9.830 480 HB VAL 62 HB VAL 62 -20.117 4.283 -10.156 481 HG11 VAL 62 1HG1 VAL 62 -17.790 4.911 -11.964 482 HG12 VAL 62 2HG1 VAL 62 -19.406 5.612 -12.062 483 HG13 VAL 62 3HG1 VAL 62 -19.169 3.897 -12.388 484 HG21 VAL 62 3HG2 VAL 62 -18.672 2.334 -10.580 485 HG22 VAL 62 1HG2 VAL 62 -18.503 2.901 -8.916 486 HG23 VAL 62 2HG2 VAL 62 -17.266 3.289 -10.115 487 H LYS 63 H LYS 63 -17.629 4.196 -7.537 488 HA LYS 63 HA LYS 63 -19.395 5.343 -5.510 489 HB2 LYS 63 2HB LYS 63 -18.992 2.340 -5.789 490 HB3 LYS 63 1HB LYS 63 -19.904 3.168 -4.551 491 HG2 LYS 63 2HG LYS 63 -21.552 3.912 -6.158 492 HG3 LYS 63 1HG LYS 63 -20.631 3.199 -7.475 493 HD2 LYS 63 2HD LYS 63 -22.484 1.742 -6.900 494 HD3 LYS 63 1HD LYS 63 -20.964 0.964 -6.462 495 HE2 LYS 63 2HE LYS 63 -22.629 0.631 -4.718 496 HE3 LYS 63 1HE LYS 63 -21.315 1.629 -4.118 497 HZ1 LYS 63 3HZ LYS 63 -23.948 2.634 -5.050 498 HZ2 LYS 63 1HZ LYS 63 -22.709 3.586 -4.416 499 HZ3 LYS 63 2HZ LYS 63 -23.485 2.455 -3.446 500 HA PRO 64 HA PRO 64 -14.908 5.358 -4.416 501 HB2 PRO 64 2HB PRO 64 -15.883 7.569 -2.701 502 HB3 PRO 64 1HB PRO 64 -14.515 7.538 -3.816 503 HG2 PRO 64 2HG PRO 64 -16.738 8.857 -4.418 504 HG3 PRO 64 1HG PRO 64 -15.847 7.963 -5.667 505 HD2 PRO 64 2HD PRO 64 -18.359 7.218 -4.216 506 HD3 PRO 64 1HD PRO 64 -17.941 7.000 -5.928 507 H GLU 65 H GLU 65 -17.734 5.455 -2.393 508 HA GLU 65 HA GLU 65 -16.506 4.874 0.042 509 HB2 GLU 65 2HB GLU 65 -19.275 4.024 -0.815 510 HB3 GLU 65 1HB GLU 65 -18.681 3.979 0.828 511 HG2 GLU 65 2HG GLU 65 -20.035 5.915 0.673 512 HG3 GLU 65 1HG GLU 65 -18.359 6.473 0.663 513 H LYS 66 H LYS 66 -17.602 2.751 -2.561 514 HA LYS 66 HA LYS 66 -17.058 0.419 -0.976 515 HB2 LYS 66 2HB LYS 66 -17.583 0.480 -3.958 516 HB3 LYS 66 1HB LYS 66 -17.719 -0.903 -2.874 517 HG2 LYS 66 2HG LYS 66 -19.493 1.521 -2.943 518 HG3 LYS 66 1HG LYS 66 -19.912 -0.124 -3.410 519 HD2 LYS 66 2HD LYS 66 -19.216 0.817 -0.616 520 HD3 LYS 66 1HD LYS 66 -20.834 0.469 -1.209 521 HE2 LYS 66 2HE LYS 66 -20.104 -1.869 -1.617 522 HE3 LYS 66 1HE LYS 66 -18.566 -1.485 -0.842 523 HZ1 LYS 66 3HZ LYS 66 -21.243 -1.306 0.429 524 HZ2 LYS 66 1HZ LYS 66 -19.801 -0.916 1.193 525 HZ3 LYS 66 2HZ LYS 66 -20.134 -2.507 0.737 526 H THR 67 H THR 67 -15.448 2.406 -3.306 527 HA THR 67 HA THR 67 -13.265 0.755 -3.901 528 HB THR 67 HB THR 67 -13.140 3.740 -3.528 529 HG1 THR 67 1HG THR 67 -14.700 2.218 -5.253 530 HG21 THR 67 3HG2 THR 67 -11.076 2.553 -4.139 531 HG22 THR 67 1HG2 THR 67 -11.628 3.604 -5.443 532 HG23 THR 67 2HG2 THR 67 -11.894 1.865 -5.541 533 H LYS 68 H LYS 68 -13.862 3.197 -1.403 534 HA LYS 68 HA LYS 68 -11.505 3.106 0.059 535 HB2 LYS 68 2HB LYS 68 -13.424 4.724 0.317 536 HB3 LYS 68 1HB LYS 68 -14.313 3.445 1.111 537 HG2 LYS 68 2HG LYS 68 -13.454 4.873 2.806 538 HG3 LYS 68 1HG LYS 68 -12.543 3.365 2.863 539 HD2 LYS 68 2HD LYS 68 -11.050 5.270 3.117 540 HD3 LYS 68 1HD LYS 68 -10.717 4.437 1.597 541 HE2 LYS 68 2HE LYS 68 -11.992 6.121 0.374 542 HE3 LYS 68 1HE LYS 68 -12.423 6.913 1.880 543 HZ1 LYS 68 3HZ LYS 68 -10.598 8.014 0.730 544 HZ2 LYS 68 1HZ LYS 68 -9.653 6.623 0.842 545 HZ3 LYS 68 2HZ LYS 68 -10.106 7.428 2.241 546 H ALA 69 H ALA 69 -14.497 1.284 0.396 547 HA ALA 69 HA ALA 69 -13.812 -0.257 2.615 548 HB1 ALA 69 1HB ALA 69 -15.708 -1.004 0.393 549 HB2 ALA 69 2HB ALA 69 -16.115 -0.010 1.792 550 HB3 ALA 69 3HB ALA 69 -15.667 -1.703 2.010 551 H VAL 70 H VAL 70 -13.479 -1.049 -0.870 552 HA VAL 70 HA VAL 70 -12.311 -3.539 -0.208 553 HB VAL 70 HB VAL 70 -11.710 -3.835 -2.587 554 HG11 VAL 70 1HG1 VAL 70 -13.966 -3.897 -3.497 555 HG12 VAL 70 2HG1 VAL 70 -14.517 -2.858 -2.185 556 HG13 VAL 70 3HG1 VAL 70 -13.920 -4.477 -1.830 557 HG21 VAL 70 3HG2 VAL 70 -11.191 -1.533 -3.195 558 HG22 VAL 70 1HG2 VAL 70 -12.884 -1.091 -2.978 559 HG23 VAL 70 2HG2 VAL 70 -12.422 -2.201 -4.270 560 H GLU 71 H GLU 71 -10.872 -0.398 -1.101 561 HA GLU 71 HA GLU 71 -8.206 -1.152 -1.207 562 HB2 GLU 71 2HB GLU 71 -9.506 1.340 -0.125 563 HB3 GLU 71 1HB GLU 71 -7.758 1.145 -0.133 564 HG2 GLU 71 2HG GLU 71 -7.850 0.946 -2.582 565 HG3 GLU 71 1HG GLU 71 -9.599 1.176 -2.508 566 H ASN 72 H ASN 72 -10.084 -0.163 1.600 567 HA ASN 72 HA ASN 72 -8.214 -0.538 3.596 568 HB2 ASN 72 2HB ASN 72 -10.414 0.624 3.751 569 HB3 ASN 72 1HB ASN 72 -11.193 -0.946 3.733 570 HD21 ASN 72 1HD2 ASN 72 -9.351 1.271 5.490 571 HD22 ASN 72 2HD2 ASN 72 -9.477 0.539 7.049 572 H TYR 73 H TYR 73 -10.356 -2.834 2.010 573 HA TYR 73 HA TYR 73 -9.972 -4.973 3.865 574 HB2 TYR 73 2HB TYR 73 -11.945 -4.800 2.307 575 HB3 TYR 73 1HB TYR 73 -10.861 -5.136 0.967 576 HD1 TYR 73 1HD TYR 73 -9.925 -7.417 0.662 577 HD2 TYR 73 2HD TYR 73 -12.671 -6.542 3.795 578 HE1 TYR 73 1HE TYR 73 -10.288 -9.817 1.007 579 HE2 TYR 73 2HE TYR 73 -13.056 -8.949 4.134 580 HH TYR 73 HH TYR 73 -11.055 -11.298 2.847 581 H LEU 74 H LEU 74 -8.561 -4.100 0.733 582 HA LEU 74 HA LEU 74 -6.814 -6.296 0.670 583 HB2 LEU 74 2HB LEU 74 -6.855 -3.734 -0.884 584 HB3 LEU 74 1HB LEU 74 -5.466 -4.786 -0.986 585 HG LEU 74 HG LEU 74 -6.825 -5.209 -2.878 586 HD11 LEU 74 1HD1 LEU 74 -5.833 -7.183 -1.919 587 HD12 LEU 74 2HD1 LEU 74 -7.359 -7.550 -2.711 588 HD13 LEU 74 3HD1 LEU 74 -7.284 -7.467 -0.953 589 HD21 LEU 74 3HD2 LEU 74 -9.161 -5.940 -2.776 590 HD22 LEU 74 1HD2 LEU 74 -8.951 -4.316 -2.119 591 HD23 LEU 74 2HD2 LEU 74 -9.153 -5.684 -1.029 592 H ILE 75 H ILE 75 -6.397 -3.065 1.992 593 HA ILE 75 HA ILE 75 -3.677 -3.173 2.690 594 HB ILE 75 HB ILE 75 -5.912 -2.086 4.455 595 HG12 ILE 75 2HG1 ILE 75 -4.239 -0.600 2.405 596 HG13 ILE 75 1HG1 ILE 75 -5.925 -1.059 2.198 597 HG21 ILE 75 1HG2 ILE 75 -2.960 -1.448 4.458 598 HG22 ILE 75 2HG2 ILE 75 -3.841 -2.345 5.696 599 HG23 ILE 75 3HG2 ILE 75 -4.181 -0.635 5.440 600 HD11 ILE 75 3HD1 ILE 75 -4.816 0.869 4.223 601 HD12 ILE 75 1HD1 ILE 75 -6.507 0.380 4.122 602 HD13 ILE 75 2HD1 ILE 75 -5.766 1.262 2.792 603 H GLN 76 H GLN 76 -6.512 -4.351 4.383 604 HA GLN 76 HA GLN 76 -5.277 -5.484 6.638 605 HB2 GLN 76 2HB GLN 76 -7.691 -4.840 6.406 606 HB3 GLN 76 1HB GLN 76 -7.911 -6.194 5.321 607 HG2 GLN 76 2HG GLN 76 -7.020 -6.548 8.166 608 HG3 GLN 76 1HG GLN 76 -8.715 -6.427 7.720 609 HE21 GLN 76 1HE2 GLN 76 -8.387 -7.933 5.230 610 HE22 GLN 76 2HE2 GLN 76 -8.144 -9.571 5.681 611 H MET 77 H MET 77 -6.191 -6.830 3.509 612 HA MET 77 HA MET 77 -5.510 -9.518 4.064 613 HB2 MET 77 2HB MET 77 -7.019 -8.838 2.233 614 HB3 MET 77 1HB MET 77 -5.652 -8.082 1.425 615 HG2 MET 77 2HG MET 77 -4.591 -10.236 1.130 616 HG3 MET 77 1HG MET 77 -5.911 -11.026 1.991 617 HE1 MET 77 3HE MET 77 -6.383 -12.162 -1.747 618 HE2 MET 77 1HE MET 77 -6.170 -12.696 -0.082 619 HE3 MET 77 2HE MET 77 -4.858 -11.863 -0.912 620 H ALA 78 H ALA 78 -3.763 -6.817 2.627 621 HA ALA 78 HA ALA 78 -1.428 -8.098 1.794 622 HB1 ALA 78 1HB ALA 78 -0.422 -5.899 1.751 623 HB2 ALA 78 2HB ALA 78 -1.678 -5.277 2.818 624 HB3 ALA 78 3HB ALA 78 -2.092 -5.786 1.182 625 H ARG 79 H ARG 79 -2.459 -6.985 4.896 626 HA ARG 79 HA ARG 79 -0.025 -6.915 6.262 627 HB2 ARG 79 2HB ARG 79 -2.175 -6.001 7.119 628 HB3 ARG 79 1HB ARG 79 -2.741 -7.643 7.378 629 HG2 ARG 79 2HG ARG 79 -2.028 -6.766 9.478 630 HG3 ARG 79 1HG ARG 79 -0.843 -7.973 8.968 631 HD2 ARG 79 2HD ARG 79 0.560 -6.102 8.084 632 HD3 ARG 79 1HD ARG 79 -0.591 -4.971 8.789 633 HE ARG 79 HE ARG 79 0.970 -6.924 10.310 634 HH11 ARG 79 1HH1 ARG 79 -0.576 -3.713 10.119 635 HH12 ARG 79 2HH1 ARG 79 0.144 -3.126 11.541 636 HH21 ARG 79 1HH2 ARG 79 1.961 -6.076 12.269 637 HH22 ARG 79 2HH2 ARG 79 1.613 -4.476 12.787 638 H TYR 80 H TYR 80 -1.922 -9.643 5.195 639 HA TYR 80 HA TYR 80 -0.729 -11.507 7.032 640 HB2 TYR 80 2HB TYR 80 -2.348 -11.977 4.524 641 HB3 TYR 80 1HB TYR 80 -1.752 -13.256 5.568 642 HD1 TYR 80 2HD TYR 80 -2.656 -13.526 7.840 643 HD2 TYR 80 1HD TYR 80 -4.247 -10.677 5.130 644 HE1 TYR 80 2HE TYR 80 -4.672 -13.357 9.222 645 HE2 TYR 80 1HE TYR 80 -6.277 -10.490 6.501 646 HH TYR 80 HH TYR 80 -6.446 -11.758 9.643 647 H GLY 81 H GLY 81 0.214 -10.073 4.094 648 HA2 GLY 81 2HA GLY 81 2.056 -10.330 2.765 649 HA3 GLY 81 1HA GLY 81 2.757 -11.268 4.080 650 H GLN 82 H GLN 82 -0.117 -11.946 2.199 651 HA GLN 82 HA GLN 82 1.022 -14.572 1.566 652 HB2 GLN 82 2HB GLN 82 -1.815 -13.581 1.514 653 HB3 GLN 82 1HB GLN 82 -1.319 -15.195 1.036 654 HG2 GLN 82 2HG GLN 82 -0.487 -15.616 3.269 655 HG3 GLN 82 1HG GLN 82 -0.931 -13.982 3.750 656 HE21 GLN 82 1HE2 GLN 82 -1.797 -16.506 4.777 657 HE22 GLN 82 2HE2 GLN 82 -3.513 -16.559 4.651 658 H LEU 83 H LEU 83 0.871 -11.665 0.124 659 HA LEU 83 HA LEU 83 -0.163 -12.633 -2.379 660 HB2 LEU 83 2HB LEU 83 0.788 -9.889 -1.580 661 HB3 LEU 83 1HB LEU 83 0.307 -10.301 -3.210 662 HG LEU 83 HG LEU 83 -1.490 -9.179 -2.262 663 HD11 LEU 83 1HD1 LEU 83 -3.305 -10.792 -2.253 664 HD12 LEU 83 2HD1 LEU 83 -2.137 -12.097 -2.081 665 HD13 LEU 83 3HD1 LEU 83 -2.138 -11.112 -3.540 666 HD21 LEU 83 3HD2 LEU 83 -2.569 -9.763 -0.124 667 HD22 LEU 83 1HD2 LEU 83 -0.880 -9.294 0.095 668 HD23 LEU 83 2HD2 LEU 83 -1.339 -10.998 0.146 669 H SER 84 H SER 84 1.219 -14.110 -2.882 670 HA SER 84 HA SER 84 3.945 -13.403 -3.584 671 HB2 SER 84 2HB SER 84 2.346 -15.937 -3.871 672 HB3 SER 84 1HB SER 84 4.088 -15.809 -4.164 673 HG SER 84 HG SER 84 3.418 -14.795 -1.736 674 H GLU 85 H GLU 85 0.820 -13.543 -4.817 675 HA GLU 85 HA GLU 85 1.724 -12.794 -7.477 676 HB2 GLU 85 2HB GLU 85 -0.664 -14.523 -6.852 677 HB3 GLU 85 1HB GLU 85 -0.193 -13.943 -8.428 678 HG2 GLU 85 2HG GLU 85 1.783 -15.345 -8.387 679 HG3 GLU 85 1HG GLU 85 1.355 -15.912 -6.769 680 H LYS 86 H LYS 86 0.064 -11.445 -8.400 681 HA LYS 86 HA LYS 86 -1.168 -9.821 -6.388 682 HB2 LYS 86 2HB LYS 86 -1.117 -9.622 -9.389 683 HB3 LYS 86 1HB LYS 86 -1.730 -8.396 -8.292 684 HG2 LYS 86 2HG LYS 86 0.466 -8.072 -7.360 685 HG3 LYS 86 1HG LYS 86 1.116 -9.362 -8.384 686 HD2 LYS 86 2HD LYS 86 0.422 -8.061 -10.361 687 HD3 LYS 86 1HD LYS 86 -0.083 -6.756 -9.278 688 HE2 LYS 86 2HE LYS 86 2.166 -6.454 -8.511 689 HE3 LYS 86 1HE LYS 86 2.726 -7.845 -9.439 690 HZ1 LYS 86 3HZ LYS 86 2.039 -6.626 -11.469 691 HZ2 LYS 86 1HZ LYS 86 3.251 -5.846 -10.611 692 HZ3 LYS 86 2HZ LYS 86 1.682 -5.281 -10.533 693 H VAL 87 H VAL 87 -3.365 -9.334 -6.372 694 HA VAL 87 HA VAL 87 -5.134 -11.518 -6.952 695 HB VAL 87 HB VAL 87 -5.745 -8.719 -5.938 696 HG11 VAL 87 1HG1 VAL 87 -7.845 -9.658 -5.107 697 HG12 VAL 87 2HG1 VAL 87 -7.433 -11.213 -5.824 698 HG13 VAL 87 3HG1 VAL 87 -7.721 -9.815 -6.861 699 HG21 VAL 87 3HG2 VAL 87 -4.245 -9.861 -4.416 700 HG22 VAL 87 1HG2 VAL 87 -5.311 -11.265 -4.383 701 HG23 VAL 87 2HG2 VAL 87 -5.852 -9.734 -3.698 702 H SER 88 H SER 88 -6.474 -11.646 -8.642 703 HA SER 88 HA SER 88 -6.020 -9.835 -10.839 704 HB2 SER 88 2HB SER 88 -7.632 -12.382 -10.654 705 HB3 SER 88 1HB SER 88 -7.191 -11.538 -12.136 706 HG SER 88 HG SER 88 -5.594 -13.004 -10.359 707 H GLU 89 H GLU 89 -8.168 -9.598 -12.245 708 HA GLU 89 HA GLU 89 -9.836 -7.706 -11.083 709 HB2 GLU 89 2HB GLU 89 -10.273 -9.559 -13.395 710 HB3 GLU 89 1HB GLU 89 -11.368 -8.244 -12.986 711 HG2 GLU 89 2HG GLU 89 -9.728 -6.640 -13.502 712 HG3 GLU 89 1HG GLU 89 -8.465 -7.870 -13.615 713 H GLN 90 H GLN 90 -10.363 -11.131 -11.672 714 HA GLN 90 HA GLN 90 -13.012 -11.347 -10.883 715 HB2 GLN 90 2HB GLN 90 -10.814 -13.409 -10.640 716 HB3 GLN 90 1HB GLN 90 -12.527 -13.753 -10.509 717 HG2 GLN 90 2HG GLN 90 -11.792 -14.449 -12.661 718 HG3 GLN 90 1HG GLN 90 -12.768 -13.001 -12.886 719 HE21 GLN 90 1HE2 GLN 90 -11.829 -12.640 -14.892 720 HE22 GLN 90 2HE2 GLN 90 -10.215 -12.071 -15.079 721 H GLY 91 H GLY 91 -10.069 -11.811 -8.972 722 HA2 GLY 91 2HA GLY 91 -11.346 -12.482 -6.553 723 HA3 GLY 91 1HA GLY 91 -9.695 -11.903 -6.722 724 H LEU 92 H LEU 92 -10.161 -9.385 -7.811 725 HA LEU 92 HA LEU 92 -10.761 -7.863 -5.515 726 HB2 LEU 92 2HB LEU 92 -9.306 -6.993 -7.264 727 HB3 LEU 92 1HB LEU 92 -10.628 -7.015 -8.412 728 HG LEU 92 HG LEU 92 -11.804 -5.318 -7.010 729 HD11 LEU 92 1HD1 LEU 92 -10.523 -4.041 -5.374 730 HD12 LEU 92 2HD1 LEU 92 -9.191 -5.181 -5.530 731 HD13 LEU 92 3HD1 LEU 92 -10.743 -5.720 -4.884 732 HD21 LEU 92 3HD2 LEU 92 -10.555 -4.657 -8.996 733 HD22 LEU 92 1HD2 LEU 92 -9.084 -4.513 -8.035 734 HD23 LEU 92 2HD2 LEU 92 -10.440 -3.430 -7.733 735 H ILE 93 H ILE 93 -12.616 -8.596 -8.421 736 HA ILE 93 HA ILE 93 -14.841 -7.031 -7.724 737 HB ILE 93 HB ILE 93 -14.619 -9.384 -9.644 738 HG12 ILE 93 2HG1 ILE 93 -14.767 -6.396 -10.138 739 HG13 ILE 93 1HG1 ILE 93 -13.297 -7.356 -10.182 740 HG21 ILE 93 1HG2 ILE 93 -16.941 -9.123 -8.878 741 HG22 ILE 93 2HG2 ILE 93 -16.771 -8.674 -10.575 742 HG23 ILE 93 3HG2 ILE 93 -16.910 -7.420 -9.341 743 HD11 ILE 93 3HD1 ILE 93 -14.138 -6.877 -12.413 744 HD12 ILE 93 1HD1 ILE 93 -15.662 -7.673 -12.017 745 HD13 ILE 93 2HD1 ILE 93 -14.168 -8.609 -12.074 746 H GLU 94 H GLU 94 -13.974 -10.365 -6.952 747 HA GLU 94 HA GLU 94 -16.455 -10.985 -5.745 748 HB2 GLU 94 2HB GLU 94 -13.711 -12.141 -5.242 749 HB3 GLU 94 1HB GLU 94 -15.164 -12.746 -4.458 750 HG2 GLU 94 2HG GLU 94 -16.106 -13.207 -6.713 751 HG3 GLU 94 1HG GLU 94 -14.550 -12.741 -7.396 752 H ILE 95 H ILE 95 -13.538 -9.474 -4.514 753 HA ILE 95 HA ILE 95 -14.437 -9.280 -1.836 754 HB ILE 95 HB ILE 95 -12.373 -7.526 -3.279 755 HG12 ILE 95 2HG1 ILE 95 -11.984 -9.866 -1.399 756 HG13 ILE 95 1HG1 ILE 95 -11.878 -9.983 -3.151 757 HG21 ILE 95 1HG2 ILE 95 -11.609 -6.863 -1.104 758 HG22 ILE 95 2HG2 ILE 95 -12.902 -7.791 -0.345 759 HG23 ILE 95 3HG2 ILE 95 -13.293 -6.395 -1.344 760 HD11 ILE 95 3HD1 ILE 95 -10.112 -8.302 -1.387 761 HD12 ILE 95 1HD1 ILE 95 -9.991 -8.442 -3.140 762 HD13 ILE 95 2HD1 ILE 95 -9.680 -9.847 -2.120 763 H LEU 96 H LEU 96 -14.765 -7.225 -4.643 764 HA LEU 96 HA LEU 96 -16.067 -5.038 -3.470 765 HB2 LEU 96 2HB LEU 96 -15.181 -5.066 -5.775 766 HB3 LEU 96 1HB LEU 96 -16.434 -6.198 -6.232 767 HG LEU 96 HG LEU 96 -18.129 -4.451 -5.703 768 HD11 LEU 96 1HD1 LEU 96 -15.711 -2.678 -5.435 769 HD12 LEU 96 2HD1 LEU 96 -16.835 -3.108 -4.147 770 HD13 LEU 96 3HD1 LEU 96 -17.384 -2.124 -5.506 771 HD21 LEU 96 3HD2 LEU 96 -17.727 -3.147 -7.729 772 HD22 LEU 96 1HD2 LEU 96 -17.384 -4.856 -7.988 773 HD23 LEU 96 2HD2 LEU 96 -16.057 -3.711 -7.765 774 H LYS 97 H LYS 97 -17.385 -7.955 -5.000 775 HA LYS 97 HA LYS 97 -20.105 -7.538 -4.494 776 HB2 LYS 97 2HB LYS 97 -18.534 -10.111 -4.656 777 HB3 LYS 97 1HB LYS 97 -20.287 -10.041 -4.592 778 HG2 LYS 97 2HG LYS 97 -20.364 -8.915 -6.713 779 HG3 LYS 97 1HG LYS 97 -18.604 -8.783 -6.746 780 HD2 LYS 97 2HD LYS 97 -18.390 -11.188 -6.857 781 HD3 LYS 97 1HD LYS 97 -20.136 -11.377 -6.697 782 HE2 LYS 97 2HE LYS 97 -20.497 -10.305 -8.817 783 HE3 LYS 97 1HE LYS 97 -18.786 -9.921 -8.966 784 HZ1 LYS 97 3HZ LYS 97 -19.946 -12.653 -8.930 785 HZ2 LYS 97 1HZ LYS 97 -18.304 -12.273 -9.096 786 HZ3 LYS 97 2HZ LYS 97 -19.419 -11.827 -10.282 787 H LYS 98 H LYS 98 -17.623 -9.109 -2.550 788 HA LYS 98 HA LYS 98 -19.196 -9.993 -0.469 789 HB2 LYS 98 2HB LYS 98 -16.867 -10.620 -0.946 790 HB3 LYS 98 1HB LYS 98 -16.354 -9.034 -0.403 791 HG2 LYS 98 2HG LYS 98 -17.184 -9.502 1.815 792 HG3 LYS 98 1HG LYS 98 -17.749 -11.089 1.269 793 HD2 LYS 98 2HD LYS 98 -15.442 -11.595 0.586 794 HD3 LYS 98 1HD LYS 98 -14.921 -10.092 1.337 795 HE2 LYS 98 2HE LYS 98 -15.828 -10.808 3.485 796 HE3 LYS 98 1HE LYS 98 -16.358 -12.317 2.754 797 HZ1 LYS 98 3HZ LYS 98 -13.514 -11.470 2.884 798 HZ2 LYS 98 1HZ LYS 98 -14.120 -12.987 2.445 799 HZ3 LYS 98 2HZ LYS 98 -14.258 -12.382 4.042 800 H VAL 99 H VAL 99 -17.411 -6.894 -0.769 801 HA VAL 99 HA VAL 99 -18.381 -6.030 1.751 802 HB VAL 99 HB VAL 99 -17.414 -3.825 1.313 803 HG11 VAL 99 1HG1 VAL 99 -15.594 -6.089 0.553 804 HG12 VAL 99 2HG1 VAL 99 -15.977 -5.547 2.187 805 HG13 VAL 99 3HG1 VAL 99 -15.069 -4.494 1.096 806 HG21 VAL 99 3HG2 VAL 99 -16.188 -3.356 -0.758 807 HG22 VAL 99 1HG2 VAL 99 -17.907 -3.616 -1.065 808 HG23 VAL 99 2HG2 VAL 99 -16.745 -4.894 -1.427 809 H SER 100 H SER 100 -19.694 -5.889 -1.389 810 HA SER 100 HA SER 100 -21.594 -3.860 -0.745 811 HB2 SER 100 2HB SER 100 -20.851 -4.137 -3.058 812 HB3 SER 100 1HB SER 100 -21.417 -5.801 -3.072 813 HG SER 100 HG SER 100 -22.883 -3.402 -3.112 814 H GLN 101 H GLN 101 -21.719 -7.418 -1.145 815 HA GLN 101 HA GLN 101 -24.504 -7.569 -0.548 816 HB2 GLN 101 2HB GLN 101 -23.367 -9.126 -2.087 817 HB3 GLN 101 1HB GLN 101 -22.458 -9.778 -0.731 818 HG2 GLN 101 2HG GLN 101 -24.307 -11.240 -1.339 819 HG3 GLN 101 1HG GLN 101 -24.543 -10.568 0.277 820 HE21 GLN 101 1HE2 GLN 101 -26.170 -9.099 0.619 821 HE22 GLN 101 2HE2 GLN 101 -27.410 -8.804 -0.532 822 H GLN 102 H GLN 102 -21.681 -8.807 1.180 823 HA GLN 102 HA GLN 102 -23.339 -9.267 3.552 824 HB2 GLN 102 2HB GLN 102 -20.423 -9.845 3.052 825 HB3 GLN 102 1HB GLN 102 -21.286 -10.250 4.525 826 HG2 GLN 102 2HG GLN 102 -22.733 -11.747 3.242 827 HG3 GLN 102 1HG GLN 102 -21.829 -11.351 1.778 828 HE21 GLN 102 1HE2 GLN 102 -22.185 -13.878 3.177 829 HE22 GLN 102 2HE2 GLN 102 -20.591 -14.465 3.527 830 H THR 103 H THR 103 -20.755 -7.315 2.387 831 HA THR 103 HA THR 103 -19.682 -5.516 3.094 832 HB THR 103 HB THR 103 -21.897 -5.266 5.099 833 HG1 THR 103 1HG THR 103 -21.819 -3.828 2.645 834 HG21 THR 103 3HG2 THR 103 -20.013 -3.216 3.925 835 HG22 THR 103 1HG2 THR 103 -19.960 -3.854 5.564 836 HG23 THR 103 2HG2 THR 103 -21.325 -2.841 5.052 837 H GLU 104 H GLU 104 -18.077 -7.071 3.755 838 HA GLU 104 HA GLU 104 -18.039 -7.593 6.599 839 HB2 GLU 104 2HB GLU 104 -17.711 -9.501 5.125 840 HB3 GLU 104 1HB GLU 104 -16.312 -8.702 4.409 841 HG2 GLU 104 2HG GLU 104 -15.120 -8.806 6.498 842 HG3 GLU 104 1HG GLU 104 -16.526 -9.479 7.315 843 H LYS 105 H LYS 105 -17.377 -5.877 7.559 844 HA LYS 105 HA LYS 105 -14.630 -4.983 7.102 845 HB2 LYS 105 2HB LYS 105 -16.995 -3.156 7.661 846 HB3 LYS 105 1HB LYS 105 -15.327 -2.641 7.604 847 HG2 LYS 105 2HG LYS 105 -17.014 -3.618 5.286 848 HG3 LYS 105 1HG LYS 105 -16.468 -1.971 5.598 849 HD2 LYS 105 2HD LYS 105 -14.697 -4.337 4.948 850 HD3 LYS 105 1HD LYS 105 -15.134 -3.044 3.837 851 HE2 LYS 105 2HE LYS 105 -13.955 -1.427 5.215 852 HE3 LYS 105 1HE LYS 105 -13.634 -2.677 6.418 853 HZ1 LYS 105 3HZ LYS 105 -12.537 -2.584 3.653 854 HZ2 LYS 105 1HZ LYS 105 -12.366 -3.865 4.760 855 HZ3 LYS 105 2HZ LYS 105 -11.724 -2.383 5.152 856 H THR 106 H THR 106 -13.556 -5.173 9.027 857 HA THR 106 HA THR 106 -15.204 -5.697 11.330 858 HB THR 106 HB THR 106 -12.245 -5.861 11.138 859 HG1 THR 106 1HG THR 106 -13.069 -8.260 11.218 860 HG21 THR 106 3HG2 THR 106 -14.191 -7.053 13.117 861 HG22 THR 106 1HG2 THR 106 -13.091 -5.711 13.429 862 HG23 THR 106 2HG2 THR 106 -12.447 -7.323 13.121 863 H THR 107 H THR 107 -15.916 -3.542 11.253 864 HA THR 107 HA THR 107 -14.607 -2.046 13.313 865 HB THR 107 HB THR 107 -15.266 -0.692 10.655 866 HG1 THR 107 1HG THR 107 -13.052 -1.943 11.544 867 HG21 THR 107 3HG2 THR 107 -15.615 0.754 12.630 868 HG22 THR 107 1HG2 THR 107 -14.232 1.297 11.677 869 HG23 THR 107 2HG2 THR 107 -13.974 0.400 13.171 870 H THR 108 H THR 108 -16.333 -2.398 14.590 871 HA THR 108 HA THR 108 -19.009 -1.983 13.580 872 HB THR 108 HB THR 108 -18.077 -2.861 16.335 873 HG1 THR 108 1HG THR 108 -19.040 -4.475 14.201 874 HG21 THR 108 3HG2 THR 108 -20.739 -3.131 14.923 875 HG22 THR 108 1HG2 THR 108 -20.394 -2.024 16.252 876 HG23 THR 108 2HG2 THR 108 -20.357 -3.768 16.521 877 H VAL 109 H VAL 109 -19.408 0.101 13.379 878 HA VAL 109 HA VAL 109 -19.901 2.225 13.808 879 HB VAL 109 HB VAL 109 -19.278 1.657 16.735 880 HG11 VAL 109 1HG1 VAL 109 -20.750 3.981 15.478 881 HG12 VAL 109 2HG1 VAL 109 -19.158 4.051 16.233 882 HG13 VAL 109 3HG1 VAL 109 -20.583 3.693 17.209 883 HG21 VAL 109 3HG2 VAL 109 -21.103 0.294 15.882 884 HG22 VAL 109 1HG2 VAL 109 -21.912 1.745 15.289 885 HG23 VAL 109 2HG2 VAL 109 -21.690 1.503 17.028 886 H LYS 110 H LYS 110 -17.283 1.580 16.062 887 HA LYS 110 HA LYS 110 -15.512 3.268 14.504 888 HB2 LYS 110 2HB LYS 110 -16.747 4.665 16.240 889 HB3 LYS 110 1HB LYS 110 -15.991 3.671 17.469 890 HG2 LYS 110 2HG LYS 110 -13.789 4.481 16.762 891 HG3 LYS 110 1HG LYS 110 -14.556 5.475 15.519 892 HD2 LYS 110 2HD LYS 110 -15.884 6.576 17.341 893 HD3 LYS 110 1HD LYS 110 -14.899 5.696 18.505 894 HE2 LYS 110 2HE LYS 110 -13.887 7.683 16.472 895 HE3 LYS 110 1HE LYS 110 -14.122 7.996 18.182 896 HZ1 LYS 110 3HZ LYS 110 -12.428 6.183 18.598 897 HZ2 LYS 110 1HZ LYS 110 -11.832 7.556 17.800 898 HZ3 LYS 110 2HZ LYS 110 -12.149 6.153 16.954 899 H PHE 111 H PHE 111 -13.300 2.610 14.922 900 HA PHE 111 HA PHE 111 -13.057 -0.040 15.939 901 HB2 PHE 111 2HB PHE 111 -11.624 0.863 14.075 902 HB3 PHE 111 1HB PHE 111 -10.838 1.918 15.238 903 HD1 PHE 111 1HD PHE 111 -11.301 -1.575 14.181 904 HD2 PHE 111 2HD PHE 111 -9.134 1.079 16.706 905 HE1 PHE 111 1HE PHE 111 -9.673 -3.353 14.650 906 HE2 PHE 111 2HE PHE 111 -7.505 -0.698 17.182 907 HZ PHE 111 HZ PHE 111 -7.772 -2.919 16.155 908 H ASN 112 H ASN 112 -11.199 2.816 16.958 909 HA ASN 112 HA ASN 112 -11.976 2.243 19.695 910 HB2 ASN 112 2HB ASN 112 -9.761 1.147 19.310 911 HB3 ASN 112 1HB ASN 112 -9.106 2.721 18.860 912 HD21 ASN 112 1HD2 ASN 112 -7.685 2.837 20.515 913 HD22 ASN 112 2HD2 ASN 112 -8.160 3.042 22.164 Start of MODEL 19 1 H1 GLY 0 1HT GLY 0 20.149 10.887 37.035 2 H2 GLY 0 2HT GLY 0 19.609 10.699 35.453 3 H3 GLY 0 3HT GLY 0 21.257 10.562 35.799 4 HA2 GLY 0 1HA GLY 0 20.310 8.404 35.439 5 HA3 GLY 0 2HA GLY 0 20.856 8.590 37.100 6 H SER 1 H SER 1 17.901 9.719 35.455 7 HA SER 1 HA SER 1 16.385 8.128 37.381 8 HB2 SER 1 2HB SER 1 16.279 10.606 37.785 9 HB3 SER 1 1HB SER 1 15.621 10.827 36.175 10 HG SER 1 HG SER 1 14.452 9.992 38.477 11 H ALA 2 H ALA 2 14.484 7.141 36.507 12 HA ALA 2 HA ALA 2 14.893 5.763 34.173 13 HB1 ALA 2 1HB ALA 2 12.240 6.257 35.480 14 HB2 ALA 2 2HB ALA 2 13.419 5.048 35.987 15 HB3 ALA 2 3HB ALA 2 12.653 4.927 34.400 16 H ASP 3 H ASP 3 12.336 8.186 34.513 17 HA ASP 3 HA ASP 3 11.753 8.155 31.719 18 HB2 ASP 3 2HB ASP 3 9.997 8.734 33.290 19 HB3 ASP 3 1HB ASP 3 10.920 10.112 33.871 20 H GLU 4 H GLU 4 13.886 9.907 33.657 21 HA GLU 4 HA GLU 4 14.405 12.117 31.952 22 HB2 GLU 4 2HB GLU 4 14.855 12.288 34.310 23 HB3 GLU 4 1HB GLU 4 15.829 10.837 34.253 24 HG2 GLU 4 2HG GLU 4 16.752 13.216 32.740 25 HG3 GLU 4 1HG GLU 4 16.897 13.203 34.496 26 H GLU 5 H GLU 5 16.115 9.058 32.533 27 HA GLU 5 HA GLU 5 17.982 9.457 30.457 28 HB2 GLU 5 2HB GLU 5 17.107 6.957 31.910 29 HB3 GLU 5 1HB GLU 5 18.430 6.988 30.753 30 HG2 GLU 5 2HG GLU 5 19.638 8.574 32.170 31 HG3 GLU 5 1HG GLU 5 18.304 8.568 33.319 32 H LEU 6 H LEU 6 14.822 8.003 30.658 33 HA LEU 6 HA LEU 6 14.713 6.791 28.133 34 HB2 LEU 6 2HB LEU 6 13.047 6.450 29.926 35 HB3 LEU 6 1HB LEU 6 12.499 8.098 29.713 36 HG LEU 6 HG LEU 6 11.738 7.525 27.428 37 HD11 LEU 6 1HD1 LEU 6 12.504 4.723 28.221 38 HD12 LEU 6 2HD1 LEU 6 13.226 5.684 26.928 39 HD13 LEU 6 3HD1 LEU 6 11.548 5.158 26.809 40 HD21 LEU 6 3HD2 LEU 6 10.180 7.475 29.300 41 HD22 LEU 6 1HD2 LEU 6 10.617 5.800 29.635 42 HD23 LEU 6 2HD2 LEU 6 9.793 6.211 28.133 43 H GLU 7 H GLU 7 14.042 10.072 29.207 44 HA GLU 7 HA GLU 7 13.028 11.231 26.861 45 HB2 GLU 7 2HB GLU 7 13.465 12.103 29.393 46 HB3 GLU 7 1HB GLU 7 14.896 12.746 28.603 47 HG2 GLU 7 2HG GLU 7 12.145 13.374 27.584 48 HG3 GLU 7 1HG GLU 7 12.878 14.270 28.903 49 H ALA 8 H ALA 8 16.276 10.913 28.136 50 HA ALA 8 HA ALA 8 17.706 12.215 26.127 51 HB1 ALA 8 1HB ALA 8 19.671 11.079 27.022 52 HB2 ALA 8 2HB ALA 8 18.623 9.974 27.910 53 HB3 ALA 8 3HB ALA 8 18.639 11.692 28.316 54 H LEU 9 H LEU 9 16.733 8.848 26.411 55 HA LEU 9 HA LEU 9 18.241 8.023 24.148 56 HB2 LEU 9 2HB LEU 9 17.194 6.706 26.242 57 HB3 LEU 9 1HB LEU 9 15.926 6.410 25.078 58 HG LEU 9 HG LEU 9 18.826 5.620 24.766 59 HD11 LEU 9 1HD1 LEU 9 17.708 4.318 26.446 60 HD12 LEU 9 2HD1 LEU 9 18.011 3.346 25.006 61 HD13 LEU 9 3HD1 LEU 9 16.391 3.967 25.327 62 HD21 LEU 9 3HD2 LEU 9 16.458 5.055 22.975 63 HD22 LEU 9 1HD2 LEU 9 18.060 4.328 22.807 64 HD23 LEU 9 2HD2 LEU 9 17.849 6.065 22.591 65 H ARG 10 H ARG 10 14.923 9.058 24.743 66 HA ARG 10 HA ARG 10 13.942 8.366 22.199 67 HB2 ARG 10 2HB ARG 10 12.520 8.836 24.206 68 HB3 ARG 10 1HB ARG 10 12.915 10.540 24.030 69 HG2 ARG 10 2HG ARG 10 11.833 10.600 21.867 70 HG3 ARG 10 1HG ARG 10 11.510 8.870 21.959 71 HD2 ARG 10 2HD ARG 10 10.159 9.277 23.991 72 HD3 ARG 10 1HD ARG 10 10.421 11.008 23.770 73 HE ARG 10 HE ARG 10 9.422 10.133 21.401 74 HH11 ARG 10 1HH1 ARG 10 8.287 10.045 24.744 75 HH12 ARG 10 2HH1 ARG 10 6.637 10.119 24.344 76 HH21 ARG 10 1HH2 ARG 10 7.203 10.227 20.828 77 HH22 ARG 10 2HH2 ARG 10 5.994 10.256 22.054 78 H ARG 11 H ARG 11 15.585 11.149 23.474 79 HA ARG 11 HA ARG 11 15.365 12.897 21.278 80 HB2 ARG 11 2HB ARG 11 17.699 12.510 23.155 81 HB3 ARG 11 1HB ARG 11 17.528 13.851 22.040 82 HG2 ARG 11 2HG ARG 11 15.620 14.674 23.240 83 HG3 ARG 11 1HG ARG 11 15.629 13.254 24.297 84 HD2 ARG 11 2HD ARG 11 17.804 13.831 25.109 85 HD3 ARG 11 1HD ARG 11 17.875 15.251 24.042 86 HE ARG 11 HE ARG 11 15.669 15.163 25.858 87 HH11 ARG 11 1HH1 ARG 11 19.031 16.131 25.385 88 HH12 ARG 11 2HH1 ARG 11 19.140 17.140 26.732 89 HH21 ARG 11 1HH2 ARG 11 15.750 16.482 27.696 90 HH22 ARG 11 2HH2 ARG 11 17.155 17.400 28.141 91 H GLN 12 H GLN 12 17.541 10.201 21.920 92 HA GLN 12 HA GLN 12 19.180 10.576 19.654 93 HB2 GLN 12 2HB GLN 12 19.798 9.169 21.630 94 HB3 GLN 12 1HB GLN 12 18.606 7.986 21.111 95 HG2 GLN 12 2HG GLN 12 19.857 7.715 19.000 96 HG3 GLN 12 1HG GLN 12 21.076 8.830 19.615 97 HE21 GLN 12 1HE2 GLN 12 22.698 7.339 19.603 98 HE22 GLN 12 2HE2 GLN 12 22.769 5.994 20.680 99 H ARG 13 H ARG 13 16.264 8.729 20.294 100 HA ARG 13 HA ARG 13 16.000 7.463 17.801 101 HB2 ARG 13 2HB ARG 13 13.828 8.421 19.677 102 HB3 ARG 13 1HB ARG 13 13.559 7.362 18.305 103 HG2 ARG 13 2HG ARG 13 15.228 6.727 20.732 104 HG3 ARG 13 1HG ARG 13 13.610 6.115 20.380 105 HD2 ARG 13 2HD ARG 13 14.518 5.099 18.296 106 HD3 ARG 13 1HD ARG 13 16.123 5.614 18.810 107 HE ARG 13 HE ARG 13 15.046 4.155 20.885 108 HH11 ARG 13 1HH1 ARG 13 16.140 3.621 17.565 109 HH12 ARG 13 2HH1 ARG 13 16.342 1.950 17.739 110 HH21 ARG 13 1HH2 ARG 13 15.396 1.855 21.158 111 HH22 ARG 13 2HH2 ARG 13 15.934 0.924 19.833 112 H LEU 14 H LEU 14 15.025 10.620 18.925 113 HA LEU 14 HA LEU 14 13.530 11.516 16.764 114 HB2 LEU 14 2HB LEU 14 13.722 12.581 19.012 115 HB3 LEU 14 1HB LEU 14 15.336 13.089 18.612 116 HG LEU 14 HG LEU 14 12.884 14.095 17.134 117 HD11 LEU 14 1HD1 LEU 14 14.356 15.283 19.474 118 HD12 LEU 14 2HD1 LEU 14 12.715 14.638 19.504 119 HD13 LEU 14 3HD1 LEU 14 13.079 16.082 18.556 120 HD21 LEU 14 3HD2 LEU 14 15.046 14.410 15.972 121 HD22 LEU 14 1HD2 LEU 14 15.678 15.220 17.405 122 HD23 LEU 14 2HD2 LEU 14 14.349 15.944 16.497 123 H ALA 15 H ALA 15 17.050 11.713 17.301 124 HA ALA 15 HA ALA 15 17.397 13.060 14.813 125 HB1 ALA 15 1HB ALA 15 18.841 13.603 16.660 126 HB2 ALA 15 2HB ALA 15 19.791 12.943 15.325 127 HB3 ALA 15 3HB ALA 15 19.420 11.941 16.724 128 H GLU 16 H GLU 16 18.300 9.881 16.078 129 HA GLU 16 HA GLU 16 19.660 9.149 13.702 130 HB2 GLU 16 2HB GLU 16 18.926 7.559 16.130 131 HB3 GLU 16 1HB GLU 16 20.035 7.039 14.864 132 HG2 GLU 16 2HG GLU 16 20.367 9.489 16.547 133 HG3 GLU 16 1HG GLU 16 21.165 7.970 16.887 134 H LEU 17 H LEU 17 16.687 7.977 15.244 135 HA LEU 17 HA LEU 17 16.130 6.248 13.043 136 HB2 LEU 17 2HB LEU 17 15.524 5.654 15.370 137 HB3 LEU 17 1HB LEU 17 14.486 7.042 15.463 138 HG LEU 17 HG LEU 17 13.367 4.770 15.255 139 HD11 LEU 17 1HD1 LEU 17 12.092 6.793 14.901 140 HD12 LEU 17 2HD1 LEU 17 11.582 5.538 13.774 141 HD13 LEU 17 3HD1 LEU 17 12.619 6.854 13.222 142 HD21 LEU 17 3HD2 LEU 17 13.141 3.831 13.006 143 HD22 LEU 17 1HD2 LEU 17 14.815 3.815 13.562 144 HD23 LEU 17 2HD2 LEU 17 14.285 5.027 12.394 145 H GLN 18 H GLN 18 15.613 9.400 13.967 146 HA GLN 18 HA GLN 18 14.607 11.214 13.223 147 HB2 GLN 18 2HB GLN 18 15.223 10.014 10.863 148 HB3 GLN 18 1HB GLN 18 13.476 9.968 10.757 149 HG2 GLN 18 2HG GLN 18 15.150 12.466 11.093 150 HG3 GLN 18 1HG GLN 18 14.486 11.867 9.591 151 HE21 GLN 18 1HE2 GLN 18 13.366 13.728 9.195 152 HE22 GLN 18 2HE2 GLN 18 12.003 14.253 10.096 153 H ALA 19 H ALA 19 13.401 10.725 14.945 154 HA ALA 19 HA ALA 19 10.738 9.664 14.438 155 HB1 ALA 19 1HB ALA 19 11.918 10.440 17.124 156 HB2 ALA 19 2HB ALA 19 11.898 8.812 16.455 157 HB3 ALA 19 3HB ALA 19 10.381 9.625 16.841 158 H LYS 20 H LYS 20 10.203 11.298 13.148 159 HA LYS 20 HA LYS 20 10.183 14.015 13.583 160 HB2 LYS 20 2HB LYS 20 9.682 12.961 11.464 161 HB3 LYS 20 1HB LYS 20 8.194 12.288 12.115 162 HG2 LYS 20 2HG LYS 20 7.403 14.643 12.459 163 HG3 LYS 20 1HG LYS 20 8.837 15.178 11.596 164 HD2 LYS 20 2HD LYS 20 6.727 13.339 10.445 165 HD3 LYS 20 1HD LYS 20 6.779 15.070 10.183 166 HE2 LYS 20 2HE LYS 20 7.734 14.156 8.249 167 HE3 LYS 20 1HE LYS 20 9.104 14.685 9.214 168 HZ1 LYS 20 3HZ LYS 20 8.099 11.902 9.012 169 HZ2 LYS 20 1HZ LYS 20 9.481 12.344 9.865 170 HZ3 LYS 20 2HZ LYS 20 9.407 12.482 8.183 171 H HIS 21 H HIS 21 9.060 15.276 14.913 172 HA HIS 21 HA HIS 21 7.114 14.160 16.673 173 HB2 HIS 21 2HB HIS 21 8.244 16.910 16.349 174 HB3 HIS 21 1HB HIS 21 6.767 16.692 17.273 175 HD1 HIS 21 1HD HIS 21 7.131 16.380 19.644 176 HD2 HIS 21 2HD HIS 21 10.394 15.036 17.469 177 HE1 HIS 21 1HE HIS 21 8.829 15.698 21.345 178 HE2 HIS 21 2HE HIS 21 10.670 14.667 20.032 179 H GLY 22 H GLY 22 5.782 13.355 15.013 180 HA2 GLY 22 2HA GLY 22 3.951 15.353 13.905 181 HA3 GLY 22 1HA GLY 22 4.144 13.701 13.319 182 H ASP 23 H ASP 23 3.019 15.639 16.000 183 HA ASP 23 HA ASP 23 1.661 13.458 17.216 184 HB2 ASP 23 2HB ASP 23 0.710 15.128 18.740 185 HB3 ASP 23 1HB ASP 23 2.430 15.417 18.547 186 HA PRO 24 HA PRO 24 -1.930 13.152 14.714 187 HB2 PRO 24 2HB PRO 24 -3.641 13.026 17.116 188 HB3 PRO 24 1HB PRO 24 -3.362 11.814 15.865 189 HG2 PRO 24 2HG PRO 24 -2.323 11.508 18.286 190 HG3 PRO 24 1HG PRO 24 -1.388 11.076 16.838 191 HD2 PRO 24 2HD PRO 24 -1.216 13.541 18.534 192 HD3 PRO 24 1HD PRO 24 0.089 12.510 17.912 193 H GLY 25 H GLY 25 -1.403 15.992 15.312 194 HA2 GLY 25 2HA GLY 25 -3.999 17.169 15.838 195 HA3 GLY 25 1HA GLY 25 -2.482 18.022 15.612 196 H ASP 26 H ASP 26 -5.361 17.161 14.283 197 HA ASP 26 HA ASP 26 -6.338 17.169 12.256 198 HB2 ASP 26 2HB ASP 26 -6.645 19.394 13.111 199 HB3 ASP 26 1HB ASP 26 -5.146 19.927 12.358 200 H ALA 27 H ALA 27 -3.547 19.051 11.212 201 HA ALA 27 HA ALA 27 -3.827 18.126 8.540 202 HB1 ALA 27 1HB ALA 27 -2.920 20.349 9.067 203 HB2 ALA 27 2HB ALA 27 -1.826 19.412 8.047 204 HB3 ALA 27 3HB ALA 27 -1.491 19.589 9.766 205 H ALA 28 H ALA 28 -2.040 17.047 11.258 206 HA ALA 28 HA ALA 28 -0.078 15.547 9.916 207 HB1 ALA 28 1HB ALA 28 0.081 16.103 12.289 208 HB2 ALA 28 2HB ALA 28 0.227 14.367 12.027 209 HB3 ALA 28 3HB ALA 28 -1.285 15.047 12.628 210 H GLN 29 H GLN 29 -3.428 14.946 10.615 211 HA GLN 29 HA GLN 29 -3.416 12.146 10.235 212 HB2 GLN 29 2HB GLN 29 -5.646 14.163 9.918 213 HB3 GLN 29 1HB GLN 29 -5.874 12.422 9.850 214 HG2 GLN 29 2HG GLN 29 -4.853 13.963 12.229 215 HG3 GLN 29 1HG GLN 29 -6.496 13.364 12.024 216 HE21 GLN 29 1HE2 GLN 29 -4.600 12.750 14.109 217 HE22 GLN 29 2HE2 GLN 29 -4.356 11.032 14.043 218 H GLN 30 H GLN 30 -3.901 14.912 8.129 219 HA GLN 30 HA GLN 30 -4.432 13.249 5.868 220 HB2 GLN 30 2HB GLN 30 -5.369 15.560 6.120 221 HB3 GLN 30 1HB GLN 30 -3.758 16.196 5.840 222 HG2 GLN 30 2HG GLN 30 -3.704 15.262 3.628 223 HG3 GLN 30 1HG GLN 30 -5.211 14.397 3.906 224 HE21 GLN 30 1HE2 GLN 30 -7.110 15.543 3.966 225 HE22 GLN 30 2HE2 GLN 30 -7.283 17.102 3.254 226 H GLU 31 H GLU 31 -1.650 14.924 7.196 227 HA GLU 31 HA GLU 31 0.115 14.363 5.097 228 HB2 GLU 31 2HB GLU 31 0.488 14.935 7.998 229 HB3 GLU 31 1HB GLU 31 1.859 14.362 7.059 230 HG2 GLU 31 2HG GLU 31 0.196 16.774 6.384 231 HG3 GLU 31 1HG GLU 31 1.753 16.818 7.217 232 H ALA 32 H ALA 32 -0.900 12.423 7.832 233 HA ALA 32 HA ALA 32 0.802 10.250 7.424 234 HB1 ALA 32 1HB ALA 32 -0.610 10.480 9.420 235 HB2 ALA 32 2HB ALA 32 -0.885 8.925 8.631 236 HB3 ALA 32 3HB ALA 32 -2.050 10.232 8.433 237 H LYS 33 H LYS 33 -2.449 10.911 6.132 238 HA LYS 33 HA LYS 33 -2.574 8.627 4.486 239 HB2 LYS 33 2HB LYS 33 -4.603 9.885 5.021 240 HB3 LYS 33 1HB LYS 33 -3.991 11.290 4.163 241 HG2 LYS 33 2HG LYS 33 -5.641 10.182 2.798 242 HG3 LYS 33 1HG LYS 33 -4.051 9.999 2.057 243 HD2 LYS 33 2HD LYS 33 -3.916 7.726 3.159 244 HD3 LYS 33 1HD LYS 33 -5.606 7.929 3.608 245 HE2 LYS 33 2HE LYS 33 -4.492 7.893 0.797 246 HE3 LYS 33 1HE LYS 33 -5.395 6.600 1.575 247 HZ1 LYS 33 3HZ LYS 33 -7.320 8.101 1.684 248 HZ2 LYS 33 1HZ LYS 33 -6.776 7.856 0.108 249 HZ3 LYS 33 2HZ LYS 33 -6.438 9.303 0.909 250 H HIS 34 H HIS 34 -1.326 11.819 3.957 251 HA HIS 34 HA HIS 34 -0.771 11.754 1.215 252 HB2 HIS 34 2HB HIS 34 -0.704 13.761 2.718 253 HB3 HIS 34 1HB HIS 34 0.759 13.131 3.438 254 HD1 HIS 34 1HD HIS 34 1.527 15.639 2.694 255 HD2 HIS 34 2HD HIS 34 1.006 12.858 -0.368 256 HE1 HIS 34 1HE HIS 34 2.713 16.585 0.720 257 HE2 HIS 34 2HE HIS 34 2.315 14.943 -1.155 258 H ARG 35 H ARG 35 1.017 10.509 3.990 259 HA ARG 35 HA ARG 35 3.218 9.624 2.356 260 HB2 ARG 35 2HB ARG 35 2.576 9.013 5.248 261 HB3 ARG 35 1HB ARG 35 4.073 8.582 4.431 262 HG2 ARG 35 2HG ARG 35 4.547 10.958 4.055 263 HG3 ARG 35 1HG ARG 35 3.053 11.378 4.888 264 HD2 ARG 35 2HD ARG 35 5.447 9.979 6.062 265 HD3 ARG 35 1HD ARG 35 4.933 11.633 6.383 266 HE ARG 35 HE ARG 35 3.400 9.238 7.142 267 HH11 ARG 35 1HH1 ARG 35 4.269 12.618 7.758 268 HH12 ARG 35 2HH1 ARG 35 3.718 12.632 9.351 269 HH21 ARG 35 1HH2 ARG 35 2.652 9.228 9.324 270 HH22 ARG 35 2HH2 ARG 35 2.797 10.621 10.305 271 H GLU 36 H GLU 36 0.322 8.253 3.742 272 HA GLU 36 HA GLU 36 0.797 5.563 3.137 273 HB2 GLU 36 2HB GLU 36 -1.762 7.119 3.367 274 HB3 GLU 36 1HB GLU 36 -1.734 5.385 3.087 275 HG2 GLU 36 2HG GLU 36 -0.411 6.727 5.412 276 HG3 GLU 36 1HG GLU 36 -2.046 6.048 5.474 277 H ALA 37 H ALA 37 -0.424 8.191 1.182 278 HA ALA 37 HA ALA 37 -1.265 6.766 -1.060 279 HB1 ALA 37 1HB ALA 37 0.081 9.474 -1.005 280 HB2 ALA 37 2HB ALA 37 -1.642 9.177 -0.757 281 HB3 ALA 37 3HB ALA 37 -0.906 8.834 -2.321 282 H GLU 38 H GLU 38 1.933 7.736 -0.062 283 HA GLU 38 HA GLU 38 3.238 6.817 -2.418 284 HB2 GLU 38 2HB GLU 38 4.198 8.644 -1.186 285 HB3 GLU 38 1HB GLU 38 4.235 7.695 0.289 286 HG2 GLU 38 2HG GLU 38 5.905 6.210 -0.749 287 HG3 GLU 38 1HG GLU 38 5.900 7.241 -2.174 288 H MET 39 H MET 39 2.948 5.693 0.902 289 HA MET 39 HA MET 39 4.650 3.392 0.449 290 HB2 MET 39 2HB MET 39 3.114 4.191 2.909 291 HB3 MET 39 1HB MET 39 4.330 2.929 2.829 292 HG2 MET 39 2HG MET 39 6.031 4.600 2.268 293 HG3 MET 39 1HG MET 39 4.800 5.858 2.318 294 HE1 MET 39 3HE MET 39 6.861 6.646 5.542 295 HE2 MET 39 1HE MET 39 6.178 7.302 4.055 296 HE3 MET 39 2HE MET 39 7.472 6.109 3.976 297 H ARG 40 H ARG 40 1.206 3.855 1.136 298 HA ARG 40 HA ARG 40 0.760 1.069 1.597 299 HB2 ARG 40 2HB ARG 40 -0.499 3.104 2.573 300 HB3 ARG 40 1HB ARG 40 -1.390 3.095 1.063 301 HG2 ARG 40 2HG ARG 40 -2.608 1.950 2.829 302 HG3 ARG 40 1HG ARG 40 -2.163 0.827 1.537 303 HD2 ARG 40 2HD ARG 40 -1.800 -0.017 3.882 304 HD3 ARG 40 1HD ARG 40 -0.386 -0.098 2.836 305 HE ARG 40 HE ARG 40 -0.715 2.234 4.575 306 HH11 ARG 40 1HH1 ARG 40 0.965 -0.869 4.054 307 HH12 ARG 40 2HH1 ARG 40 2.296 -0.424 5.033 308 HH21 ARG 40 1HH2 ARG 40 1.103 2.814 5.769 309 HH22 ARG 40 2HH2 ARG 40 2.381 1.690 6.057 310 H ASN 41 H ASN 41 0.463 3.252 -1.089 311 HA ASN 41 HA ASN 41 -1.142 1.734 -2.822 312 HB2 ASN 41 2HB ASN 41 -0.503 4.103 -3.207 313 HB3 ASN 41 1HB ASN 41 1.144 3.605 -3.549 314 HD21 ASN 41 1HD2 ASN 41 -0.744 5.115 -5.146 315 HD22 ASN 41 2HD2 ASN 41 -0.959 4.281 -6.629 316 H SER 42 H SER 42 2.313 1.622 -2.103 317 HA SER 42 HA SER 42 3.192 -0.034 -4.109 318 HB2 SER 42 2HB SER 42 4.128 0.046 -1.240 319 HB3 SER 42 1HB SER 42 5.069 -0.479 -2.639 320 HG SER 42 HG SER 42 5.122 1.836 -1.714 321 H ILE 43 H ILE 43 1.921 -0.971 -0.872 322 HA ILE 43 HA ILE 43 2.190 -3.736 -1.485 323 HB ILE 43 HB ILE 43 1.028 -4.327 0.546 324 HG12 ILE 43 2HG1 ILE 43 0.316 -1.394 0.951 325 HG13 ILE 43 1HG1 ILE 43 -0.807 -2.632 0.411 326 HG21 ILE 43 1HG2 ILE 43 2.833 -1.964 0.999 327 HG22 ILE 43 2HG2 ILE 43 3.319 -3.646 0.810 328 HG23 ILE 43 3HG2 ILE 43 2.384 -3.151 2.223 329 HD11 ILE 43 3HD1 ILE 43 -0.496 -3.827 2.523 330 HD12 ILE 43 1HD1 ILE 43 -1.077 -2.182 2.777 331 HD13 ILE 43 2HD1 ILE 43 0.619 -2.573 3.061 332 H LEU 44 H LEU 44 -0.453 -1.466 -1.770 333 HA LEU 44 HA LEU 44 -2.469 -3.311 -2.442 334 HB2 LEU 44 2HB LEU 44 -2.094 -0.452 -3.329 335 HB3 LEU 44 1HB LEU 44 -3.547 -1.382 -3.621 336 HG LEU 44 HG LEU 44 -2.485 -0.618 -0.894 337 HD11 LEU 44 1HD1 LEU 44 -4.816 0.454 -2.476 338 HD12 LEU 44 2HD1 LEU 44 -3.312 1.308 -2.127 339 HD13 LEU 44 3HD1 LEU 44 -4.413 0.888 -0.816 340 HD21 LEU 44 3HD2 LEU 44 -5.056 -1.980 -1.717 341 HD22 LEU 44 1HD2 LEU 44 -4.668 -1.429 -0.091 342 HD23 LEU 44 2HD2 LEU 44 -3.725 -2.721 -0.824 343 H ALA 45 H ALA 45 0.023 -1.771 -4.337 344 HA ALA 45 HA ALA 45 -0.822 -2.795 -6.844 345 HB1 ALA 45 1HB ALA 45 1.898 -1.790 -6.012 346 HB2 ALA 45 2HB ALA 45 0.581 -0.782 -6.586 347 HB3 ALA 45 3HB ALA 45 1.316 -1.971 -7.669 348 H GLN 46 H GLN 46 0.832 -4.191 -4.198 349 HA GLN 46 HA GLN 46 2.136 -6.260 -5.776 350 HB2 GLN 46 2HB GLN 46 1.807 -6.136 -2.777 351 HB3 GLN 46 1HB GLN 46 2.861 -7.214 -3.664 352 HG2 GLN 46 2HG GLN 46 3.117 -4.249 -3.323 353 HG3 GLN 46 1HG GLN 46 4.166 -5.510 -2.678 354 HE21 GLN 46 1HE2 GLN 46 3.336 -3.589 -5.339 355 HE22 GLN 46 2HE2 GLN 46 4.612 -4.016 -6.407 356 H VAL 47 H VAL 47 -0.646 -5.863 -3.715 357 HA VAL 47 HA VAL 47 -1.308 -8.665 -3.954 358 HB VAL 47 HB VAL 47 -1.756 -7.651 -1.794 359 HG11 VAL 47 1HG1 VAL 47 -2.025 -5.385 -2.404 360 HG12 VAL 47 2HG1 VAL 47 -3.445 -5.895 -1.479 361 HG13 VAL 47 3HG1 VAL 47 -3.540 -5.718 -3.237 362 HG21 VAL 47 3HG2 VAL 47 -4.109 -8.218 -1.445 363 HG22 VAL 47 1HG2 VAL 47 -3.327 -9.416 -2.472 364 HG23 VAL 47 2HG2 VAL 47 -4.378 -8.202 -3.189 365 H LEU 48 H LEU 48 -2.310 -5.725 -5.451 366 HA LEU 48 HA LEU 48 -4.320 -7.279 -6.870 367 HB2 LEU 48 2HB LEU 48 -3.921 -4.324 -6.634 368 HB3 LEU 48 1HB LEU 48 -5.148 -5.094 -7.628 369 HG LEU 48 HG LEU 48 -4.957 -5.418 -4.623 370 HD11 LEU 48 1HD1 LEU 48 -6.843 -3.871 -4.501 371 HD12 LEU 48 2HD1 LEU 48 -6.688 -3.572 -6.235 372 HD13 LEU 48 3HD1 LEU 48 -5.387 -3.109 -5.139 373 HD21 LEU 48 3HD2 LEU 48 -6.122 -7.241 -5.739 374 HD22 LEU 48 1HD2 LEU 48 -7.145 -6.085 -6.592 375 HD23 LEU 48 2HD2 LEU 48 -7.264 -6.243 -4.843 376 H ASP 49 H ASP 49 -3.957 -7.888 -8.775 377 HA ASP 49 HA ASP 49 -1.647 -7.430 -10.292 378 HB2 ASP 49 2HB ASP 49 -3.030 -9.412 -10.626 379 HB3 ASP 49 1HB ASP 49 -4.409 -8.419 -11.044 380 H GLN 50 H GLN 50 -1.573 -6.390 -12.327 381 HA GLN 50 HA GLN 50 -2.056 -3.691 -12.408 382 HB2 GLN 50 2HB GLN 50 -0.504 -4.978 -13.882 383 HB3 GLN 50 1HB GLN 50 -1.883 -5.564 -14.785 384 HG2 GLN 50 2HG GLN 50 -1.171 -2.649 -14.580 385 HG3 GLN 50 1HG GLN 50 -0.532 -3.709 -15.827 386 HE21 GLN 50 1HE2 GLN 50 -2.176 -1.326 -16.024 387 HE22 GLN 50 2HE2 GLN 50 -3.595 -1.759 -16.904 388 H SER 51 H SER 51 -4.207 -6.282 -13.515 389 HA SER 51 HA SER 51 -6.003 -4.505 -14.871 390 HB2 SER 51 2HB SER 51 -6.554 -7.353 -13.962 391 HB3 SER 51 1HB SER 51 -7.413 -6.434 -15.186 392 HG SER 51 HG SER 51 -4.655 -6.770 -15.481 393 H ALA 52 H ALA 52 -5.784 -5.921 -11.669 394 HA ALA 52 HA ALA 52 -8.407 -5.130 -10.887 395 HB1 ALA 52 1HB ALA 52 -6.046 -5.974 -9.216 396 HB2 ALA 52 2HB ALA 52 -7.325 -7.024 -9.822 397 HB3 ALA 52 3HB ALA 52 -7.698 -5.778 -8.631 398 H ARG 53 H ARG 53 -5.158 -3.808 -10.601 399 HA ARG 53 HA ARG 53 -5.820 -1.612 -8.947 400 HB2 ARG 53 2HB ARG 53 -3.624 -1.866 -11.017 401 HB3 ARG 53 1HB ARG 53 -3.779 -0.487 -9.940 402 HG2 ARG 53 2HG ARG 53 -3.296 -3.343 -9.095 403 HG3 ARG 53 1HG ARG 53 -2.087 -2.059 -9.159 404 HD2 ARG 53 2HD ARG 53 -4.549 -2.082 -7.391 405 HD3 ARG 53 1HD ARG 53 -2.909 -2.433 -6.877 406 HE ARG 53 HE ARG 53 -2.543 -0.024 -7.830 407 HH11 ARG 53 1HH1 ARG 53 -5.288 -1.142 -5.875 408 HH12 ARG 53 2HH1 ARG 53 -5.494 0.370 -5.103 409 HH21 ARG 53 1HH2 ARG 53 -2.832 2.014 -6.674 410 HH22 ARG 53 2HH2 ARG 53 -4.071 2.161 -5.519 411 H ALA 54 H ALA 54 -5.934 -2.031 -12.425 412 HA ALA 54 HA ALA 54 -6.743 0.603 -13.063 413 HB1 ALA 54 1HB ALA 54 -5.858 -0.956 -14.747 414 HB2 ALA 54 2HB ALA 54 -7.447 -0.347 -15.208 415 HB3 ALA 54 3HB ALA 54 -7.285 -1.974 -14.547 416 H ARG 55 H ARG 55 -8.457 -2.306 -12.125 417 HA ARG 55 HA ARG 55 -11.074 -1.414 -12.626 418 HB2 ARG 55 2HB ARG 55 -10.145 -3.793 -12.163 419 HB3 ARG 55 1HB ARG 55 -10.331 -3.370 -10.470 420 HG2 ARG 55 2HG ARG 55 -12.239 -4.598 -11.152 421 HG3 ARG 55 1HG ARG 55 -12.735 -2.911 -10.923 422 HD2 ARG 55 2HD ARG 55 -12.549 -2.531 -13.332 423 HD3 ARG 55 1HD ARG 55 -12.024 -4.193 -13.556 424 HE ARG 55 HE ARG 55 -14.599 -3.841 -12.312 425 HH11 ARG 55 1HH1 ARG 55 -12.735 -4.626 -15.234 426 HH12 ARG 55 2HH1 ARG 55 -14.116 -4.946 -16.184 427 HH21 ARG 55 1HH2 ARG 55 -16.522 -4.329 -13.660 428 HH22 ARG 55 2HH2 ARG 55 -16.281 -4.771 -15.284 429 H LEU 56 H LEU 56 -8.948 -1.208 -9.834 430 HA LEU 56 HA LEU 56 -10.687 -0.187 -7.905 431 HB2 LEU 56 2HB LEU 56 -7.773 -0.094 -8.331 432 HB3 LEU 56 1HB LEU 56 -8.401 1.212 -7.361 433 HG LEU 56 HG LEU 56 -7.549 -0.634 -5.998 434 HD11 LEU 56 1HD1 LEU 56 -9.336 0.759 -5.117 435 HD12 LEU 56 2HD1 LEU 56 -9.460 -0.898 -4.535 436 HD13 LEU 56 3HD1 LEU 56 -10.538 -0.330 -5.808 437 HD21 LEU 56 3HD2 LEU 56 -8.750 -2.753 -5.922 438 HD22 LEU 56 1HD2 LEU 56 -8.017 -2.467 -7.503 439 HD23 LEU 56 2HD2 LEU 56 -9.747 -2.221 -7.278 440 H SER 57 H SER 57 -8.727 1.607 -10.262 441 HA SER 57 HA SER 57 -9.633 4.145 -9.451 442 HB2 SER 57 2HB SER 57 -7.562 3.767 -10.808 443 HB3 SER 57 1HB SER 57 -8.574 3.345 -12.184 444 HG SER 57 HG SER 57 -8.501 5.369 -12.593 445 H ASN 58 H ASN 58 -10.815 1.843 -11.845 446 HA ASN 58 HA ASN 58 -12.822 3.389 -13.034 447 HB2 ASN 58 2HB ASN 58 -12.192 1.199 -13.922 448 HB3 ASN 58 1HB ASN 58 -12.777 0.411 -12.464 449 HD21 ASN 58 1HD2 ASN 58 -14.457 3.031 -14.172 450 HD22 ASN 58 2HD2 ASN 58 -15.788 2.070 -14.668 451 H LEU 59 H LEU 59 -13.018 1.221 -10.198 452 HA LEU 59 HA LEU 59 -15.678 1.898 -9.595 453 HB2 LEU 59 2HB LEU 59 -13.524 0.470 -8.128 454 HB3 LEU 59 1HB LEU 59 -14.908 1.036 -7.222 455 HG LEU 59 HG LEU 59 -15.184 -1.298 -7.809 456 HD11 LEU 59 1HD1 LEU 59 -17.187 0.065 -7.697 457 HD12 LEU 59 2HD1 LEU 59 -17.350 -1.235 -8.871 458 HD13 LEU 59 3HD1 LEU 59 -17.067 0.411 -9.425 459 HD21 LEU 59 3HD2 LEU 59 -15.418 -2.028 -10.143 460 HD22 LEU 59 1HD2 LEU 59 -13.803 -1.404 -9.806 461 HD23 LEU 59 2HD2 LEU 59 -14.963 -0.410 -10.683 462 H ALA 60 H ALA 60 -12.624 3.271 -8.577 463 HA ALA 60 HA ALA 60 -13.566 4.873 -6.474 464 HB1 ALA 60 1HB ALA 60 -11.508 6.100 -6.680 465 HB2 ALA 60 2HB ALA 60 -11.275 5.499 -8.316 466 HB3 ALA 60 3HB ALA 60 -11.165 4.385 -6.957 467 H LEU 61 H LEU 61 -13.876 5.247 -9.887 468 HA LEU 61 HA LEU 61 -14.464 8.080 -9.615 469 HB2 LEU 61 2HB LEU 61 -14.172 6.344 -12.056 470 HB3 LEU 61 1HB LEU 61 -14.506 8.062 -12.077 471 HG LEU 61 HG LEU 61 -11.988 6.785 -11.001 472 HD11 LEU 61 1HD1 LEU 61 -12.473 8.321 -13.543 473 HD12 LEU 61 2HD1 LEU 61 -12.127 6.596 -13.407 474 HD13 LEU 61 3HD1 LEU 61 -10.903 7.781 -12.952 475 HD21 LEU 61 3HD2 LEU 61 -12.508 8.859 -9.833 476 HD22 LEU 61 1HD2 LEU 61 -12.717 9.695 -11.374 477 HD23 LEU 61 2HD2 LEU 61 -11.129 9.085 -10.905 478 H VAL 62 H VAL 62 -16.088 5.175 -9.525 479 HA VAL 62 HA VAL 62 -18.502 6.532 -10.436 480 HB VAL 62 HB VAL 62 -17.982 4.686 -11.948 481 HG11 VAL 62 1HG1 VAL 62 -16.758 3.229 -10.542 482 HG12 VAL 62 2HG1 VAL 62 -18.113 2.344 -11.248 483 HG13 VAL 62 3HG1 VAL 62 -18.181 2.875 -9.564 484 HG21 VAL 62 3HG2 VAL 62 -20.301 5.219 -11.648 485 HG22 VAL 62 1HG2 VAL 62 -20.393 4.133 -10.253 486 HG23 VAL 62 2HG2 VAL 62 -20.102 3.470 -11.867 487 H LYS 63 H LYS 63 -17.289 4.265 -7.958 488 HA LYS 63 HA LYS 63 -19.335 5.280 -6.168 489 HB2 LYS 63 2HB LYS 63 -18.898 2.294 -6.481 490 HB3 LYS 63 1HB LYS 63 -19.976 3.083 -5.361 491 HG2 LYS 63 2HG LYS 63 -21.322 3.950 -7.231 492 HG3 LYS 63 1HG LYS 63 -20.265 3.105 -8.354 493 HD2 LYS 63 2HD LYS 63 -22.335 1.872 -7.953 494 HD3 LYS 63 1HD LYS 63 -20.928 0.971 -7.382 495 HE2 LYS 63 2HE LYS 63 -21.392 1.485 -5.130 496 HE3 LYS 63 1HE LYS 63 -22.580 2.709 -5.562 497 HZ1 LYS 63 3HZ LYS 63 -23.573 0.635 -4.805 498 HZ2 LYS 63 1HZ LYS 63 -22.853 -0.205 -6.063 499 HZ3 LYS 63 2HZ LYS 63 -24.010 0.974 -6.391 500 HA PRO 64 HA PRO 64 -15.063 5.125 -4.417 501 HB2 PRO 64 2HB PRO 64 -15.487 7.244 -2.706 502 HB3 PRO 64 1HB PRO 64 -14.879 7.390 -4.359 503 HG2 PRO 64 2HG PRO 64 -17.655 7.769 -3.322 504 HG3 PRO 64 1HG PRO 64 -16.774 8.717 -4.534 505 HD2 PRO 64 2HD PRO 64 -18.638 6.924 -5.223 506 HD3 PRO 64 1HD PRO 64 -17.187 7.183 -6.213 507 H GLU 65 H GLU 65 -18.187 5.125 -2.867 508 HA GLU 65 HA GLU 65 -17.385 4.501 -0.248 509 HB2 GLU 65 2HB GLU 65 -19.912 3.788 -1.724 510 HB3 GLU 65 1HB GLU 65 -19.663 3.466 -0.017 511 HG2 GLU 65 2HG GLU 65 -19.624 6.186 -1.302 512 HG3 GLU 65 1HG GLU 65 -20.976 5.494 -0.404 513 H LYS 66 H LYS 66 -17.917 2.442 -3.081 514 HA LYS 66 HA LYS 66 -17.519 0.108 -1.460 515 HB2 LYS 66 2HB LYS 66 -17.536 0.177 -4.484 516 HB3 LYS 66 1HB LYS 66 -17.788 -1.216 -3.439 517 HG2 LYS 66 2HG LYS 66 -19.653 1.094 -3.905 518 HG3 LYS 66 1HG LYS 66 -19.906 -0.601 -4.311 519 HD2 LYS 66 2HD LYS 66 -19.778 0.594 -1.531 520 HD3 LYS 66 1HD LYS 66 -21.224 0.032 -2.354 521 HE2 LYS 66 2HE LYS 66 -20.326 -2.258 -2.336 522 HE3 LYS 66 1HE LYS 66 -18.888 -1.672 -1.495 523 HZ1 LYS 66 3HZ LYS 66 -20.402 -2.540 0.157 524 HZ2 LYS 66 1HZ LYS 66 -21.669 -1.609 -0.485 525 HZ3 LYS 66 2HZ LYS 66 -20.394 -0.868 0.275 526 H THR 67 H THR 67 -15.607 2.166 -3.519 527 HA THR 67 HA THR 67 -13.377 0.565 -3.874 528 HB THR 67 HB THR 67 -13.258 3.532 -3.460 529 HG1 THR 67 1HG THR 67 -13.746 2.840 -5.999 530 HG21 THR 67 3HG2 THR 67 -11.925 1.650 -5.418 531 HG22 THR 67 1HG2 THR 67 -11.182 2.299 -3.954 532 HG23 THR 67 2HG2 THR 67 -11.631 3.381 -5.267 533 H LYS 68 H LYS 68 -14.084 2.992 -1.342 534 HA LYS 68 HA LYS 68 -11.671 2.659 0.055 535 HB2 LYS 68 2HB LYS 68 -12.762 3.828 1.928 536 HB3 LYS 68 1HB LYS 68 -13.068 4.623 0.393 537 HG2 LYS 68 2HG LYS 68 -15.291 3.523 0.325 538 HG3 LYS 68 1HG LYS 68 -14.975 2.879 1.933 539 HD2 LYS 68 2HD LYS 68 -16.346 4.880 2.092 540 HD3 LYS 68 1HD LYS 68 -14.742 5.167 2.778 541 HE2 LYS 68 2HE LYS 68 -14.051 6.425 0.894 542 HE3 LYS 68 1HE LYS 68 -15.452 5.917 -0.054 543 HZ1 LYS 68 3HZ LYS 68 -16.861 7.205 1.295 544 HZ2 LYS 68 1HZ LYS 68 -15.610 8.192 0.802 545 HZ3 LYS 68 2HZ LYS 68 -15.630 7.636 2.387 546 H ALA 69 H ALA 69 -14.655 0.910 0.168 547 HA ALA 69 HA ALA 69 -14.133 -0.526 2.548 548 HB1 ALA 69 1HB ALA 69 -15.989 -1.952 1.879 549 HB2 ALA 69 2HB ALA 69 -15.954 -1.259 0.257 550 HB3 ALA 69 3HB ALA 69 -16.397 -0.253 1.635 551 H VAL 70 H VAL 70 -13.544 -1.228 -0.897 552 HA VAL 70 HA VAL 70 -12.472 -3.785 -0.235 553 HB VAL 70 HB VAL 70 -11.722 -4.035 -2.568 554 HG11 VAL 70 1HG1 VAL 70 -14.015 -4.593 -2.048 555 HG12 VAL 70 2HG1 VAL 70 -13.867 -3.970 -3.691 556 HG13 VAL 70 3HG1 VAL 70 -14.501 -2.937 -2.415 557 HG21 VAL 70 3HG2 VAL 70 -12.201 -2.326 -4.271 558 HG22 VAL 70 1HG2 VAL 70 -11.033 -1.756 -3.075 559 HG23 VAL 70 2HG2 VAL 70 -12.710 -1.221 -2.992 560 H GLU 71 H GLU 71 -11.030 -0.628 -0.921 561 HA GLU 71 HA GLU 71 -8.363 -1.461 -0.884 562 HB2 GLU 71 2HB GLU 71 -9.591 1.178 -0.065 563 HB3 GLU 71 1HB GLU 71 -7.850 0.910 -0.110 564 HG2 GLU 71 2HG GLU 71 -8.021 0.425 -2.511 565 HG3 GLU 71 1HG GLU 71 -9.757 0.721 -2.431 566 H ASN 72 H ASN 72 -10.482 -0.502 1.762 567 HA ASN 72 HA ASN 72 -8.766 -0.577 3.922 568 HB2 ASN 72 2HB ASN 72 -11.207 0.086 3.858 569 HB3 ASN 72 1HB ASN 72 -11.600 -1.627 3.903 570 HD21 ASN 72 1HD2 ASN 72 -10.491 1.091 5.658 571 HD22 ASN 72 2HD2 ASN 72 -10.501 0.359 7.217 572 H TYR 73 H TYR 73 -10.437 -3.190 2.274 573 HA TYR 73 HA TYR 73 -9.714 -5.228 4.124 574 HB2 TYR 73 2HB TYR 73 -11.772 -5.323 2.751 575 HB3 TYR 73 1HB TYR 73 -10.786 -5.435 1.309 576 HD1 TYR 73 1HD TYR 73 -10.430 -7.239 4.571 577 HD2 TYR 73 2HD TYR 73 -11.274 -7.524 0.406 578 HE1 TYR 73 1HE TYR 73 -10.517 -9.682 4.758 579 HE2 TYR 73 2HE TYR 73 -11.356 -9.975 0.595 580 HH TYR 73 HH TYR 73 -11.428 -11.547 3.637 581 H LEU 74 H LEU 74 -8.665 -4.439 0.798 582 HA LEU 74 HA LEU 74 -6.732 -6.457 0.697 583 HB2 LEU 74 2HB LEU 74 -6.904 -3.932 -0.954 584 HB3 LEU 74 1HB LEU 74 -5.575 -5.071 -1.079 585 HG LEU 74 HG LEU 74 -7.100 -5.441 -2.884 586 HD11 LEU 74 1HD1 LEU 74 -7.299 -7.674 -0.898 587 HD12 LEU 74 2HD1 LEU 74 -5.982 -7.362 -2.027 588 HD13 LEU 74 3HD1 LEU 74 -7.580 -7.795 -2.636 589 HD21 LEU 74 3HD2 LEU 74 -9.394 -6.221 -2.577 590 HD22 LEU 74 1HD2 LEU 74 -9.174 -4.591 -1.942 591 HD23 LEU 74 2HD2 LEU 74 -9.248 -5.967 -0.839 592 H ILE 75 H ILE 75 -6.441 -3.177 1.905 593 HA ILE 75 HA ILE 75 -3.681 -3.045 2.276 594 HB ILE 75 HB ILE 75 -5.923 -1.962 4.005 595 HG12 ILE 75 2HG1 ILE 75 -4.021 -0.567 2.099 596 HG13 ILE 75 1HG1 ILE 75 -5.690 -0.998 1.751 597 HG21 ILE 75 1HG2 ILE 75 -2.971 -1.491 4.349 598 HG22 ILE 75 2HG2 ILE 75 -4.087 -2.200 5.515 599 HG23 ILE 75 3HG2 ILE 75 -4.218 -0.490 5.094 600 HD11 ILE 75 3HD1 ILE 75 -5.475 1.361 2.287 601 HD12 ILE 75 1HD1 ILE 75 -4.768 0.949 3.849 602 HD13 ILE 75 2HD1 ILE 75 -6.446 0.530 3.501 603 H GLN 76 H GLN 76 -6.113 -4.434 4.449 604 HA GLN 76 HA GLN 76 -4.160 -5.280 6.345 605 HB2 GLN 76 2HB GLN 76 -7.080 -5.989 6.047 606 HB3 GLN 76 1HB GLN 76 -6.078 -6.459 7.418 607 HG2 GLN 76 2HG GLN 76 -5.731 -4.142 8.005 608 HG3 GLN 76 1HG GLN 76 -6.606 -3.623 6.570 609 HE21 GLN 76 1HE2 GLN 76 -6.864 -4.945 9.763 610 HE22 GLN 76 2HE2 GLN 76 -8.567 -4.721 9.915 611 H MET 77 H MET 77 -5.977 -6.837 3.802 612 HA MET 77 HA MET 77 -5.203 -9.486 4.225 613 HB2 MET 77 2HB MET 77 -6.971 -8.774 2.781 614 HB3 MET 77 1HB MET 77 -5.811 -8.026 1.677 615 HG2 MET 77 2HG MET 77 -4.869 -10.292 1.236 616 HG3 MET 77 1HG MET 77 -6.152 -10.960 2.252 617 HE1 MET 77 3HE MET 77 -7.209 -12.002 -1.378 618 HE2 MET 77 1HE MET 77 -6.824 -12.583 0.242 619 HE3 MET 77 2HE MET 77 -5.564 -11.867 -0.760 620 H ALA 78 H ALA 78 -3.632 -6.931 2.319 621 HA ALA 78 HA ALA 78 -1.468 -8.573 1.445 622 HB1 ALA 78 1HB ALA 78 -1.630 -5.563 1.586 623 HB2 ALA 78 2HB ALA 78 -2.140 -6.551 0.216 624 HB3 ALA 78 3HB ALA 78 -0.440 -6.497 0.680 625 H ARG 79 H ARG 79 -1.987 -6.392 4.087 626 HA ARG 79 HA ARG 79 0.630 -6.245 5.084 627 HB2 ARG 79 2HB ARG 79 -1.524 -4.893 5.673 628 HB3 ARG 79 1HB ARG 79 -1.862 -6.192 6.789 629 HG2 ARG 79 2HG ARG 79 0.590 -4.439 6.864 630 HG3 ARG 79 1HG ARG 79 -0.851 -4.197 7.840 631 HD2 ARG 79 2HD ARG 79 -0.470 -6.353 8.923 632 HD3 ARG 79 1HD ARG 79 0.950 -6.615 7.916 633 HE ARG 79 HE ARG 79 0.642 -4.544 9.959 634 HH11 ARG 79 1HH1 ARG 79 2.735 -6.605 7.940 635 HH12 ARG 79 2HH1 ARG 79 4.166 -6.203 8.755 636 HH21 ARG 79 1HH2 ARG 79 2.675 -3.982 11.076 637 HH22 ARG 79 2HH2 ARG 79 4.136 -4.683 10.569 638 H TYR 80 H TYR 80 -2.010 -8.555 5.656 639 HA TYR 80 HA TYR 80 -0.281 -9.990 7.488 640 HB2 TYR 80 2HB TYR 80 -3.222 -10.374 6.924 641 HB3 TYR 80 1HB TYR 80 -2.288 -11.337 8.072 642 HD1 TYR 80 2HD TYR 80 -0.938 -9.964 9.841 643 HD2 TYR 80 1HD TYR 80 -4.290 -8.450 7.707 644 HE1 TYR 80 2HE TYR 80 -1.215 -8.218 11.542 645 HE2 TYR 80 1HE TYR 80 -4.574 -6.687 9.405 646 HH TYR 80 HH TYR 80 -3.986 -6.259 11.698 647 H GLY 81 H GLY 81 -0.723 -10.117 4.226 648 HA2 GLY 81 2HA GLY 81 0.252 -11.587 2.758 649 HA3 GLY 81 1HA GLY 81 0.775 -12.548 4.130 650 H GLN 82 H GLN 82 -2.523 -11.668 3.424 651 HA GLN 82 HA GLN 82 -3.291 -14.464 3.457 652 HB2 GLN 82 2HB GLN 82 -4.789 -11.884 3.287 653 HB3 GLN 82 1HB GLN 82 -5.603 -13.447 3.176 654 HG2 GLN 82 2HG GLN 82 -4.949 -13.994 5.397 655 HG3 GLN 82 1HG GLN 82 -3.873 -12.599 5.481 656 HE21 GLN 82 1HE2 GLN 82 -7.190 -13.631 5.374 657 HE22 GLN 82 2HE2 GLN 82 -7.860 -12.183 6.040 658 H LEU 83 H LEU 83 -2.144 -12.485 1.178 659 HA LEU 83 HA LEU 83 -3.800 -13.491 -1.000 660 HB2 LEU 83 2HB LEU 83 -2.702 -11.910 -2.436 661 HB3 LEU 83 1HB LEU 83 -3.177 -11.109 -0.943 662 HG LEU 83 HG LEU 83 -0.364 -12.073 -1.044 663 HD11 LEU 83 1HD1 LEU 83 0.345 -10.165 -2.280 664 HD12 LEU 83 2HD1 LEU 83 -1.336 -9.664 -2.423 665 HD13 LEU 83 3HD1 LEU 83 -0.782 -11.119 -3.278 666 HD21 LEU 83 3HD2 LEU 83 -1.705 -9.544 -0.189 667 HD22 LEU 83 1HD2 LEU 83 -0.033 -9.982 0.144 668 HD23 LEU 83 2HD2 LEU 83 -1.352 -10.888 0.902 669 H SER 84 H SER 84 -2.893 -14.696 -2.672 670 HA SER 84 HA SER 84 -0.432 -16.102 -1.955 671 HB2 SER 84 2HB SER 84 -2.577 -16.747 -3.964 672 HB3 SER 84 1HB SER 84 -1.262 -17.825 -3.465 673 HG SER 84 HG SER 84 -2.162 -17.444 -1.275 674 H GLU 85 H GLU 85 -1.929 -14.123 -4.436 675 HA GLU 85 HA GLU 85 0.588 -13.565 -5.718 676 HB2 GLU 85 2HB GLU 85 -1.003 -15.660 -6.694 677 HB3 GLU 85 1HB GLU 85 -1.441 -14.294 -7.680 678 HG2 GLU 85 2HG GLU 85 1.407 -15.182 -7.304 679 HG3 GLU 85 1HG GLU 85 0.372 -15.799 -8.580 680 H LYS 86 H LYS 86 -0.290 -12.258 -7.758 681 HA LYS 86 HA LYS 86 -1.745 -10.048 -6.697 682 HB2 LYS 86 2HB LYS 86 -0.710 -10.663 -9.461 683 HB3 LYS 86 1HB LYS 86 -1.503 -9.158 -9.023 684 HG2 LYS 86 2HG LYS 86 0.242 -8.704 -7.385 685 HG3 LYS 86 1HG LYS 86 1.035 -10.222 -7.805 686 HD2 LYS 86 2HD LYS 86 0.570 -7.929 -9.714 687 HD3 LYS 86 1HD LYS 86 2.075 -8.212 -8.845 688 HE2 LYS 86 2HE LYS 86 2.253 -10.422 -9.946 689 HE3 LYS 86 1HE LYS 86 0.787 -10.057 -10.851 690 HZ1 LYS 86 3HZ LYS 86 1.914 -8.191 -11.884 691 HZ2 LYS 86 1HZ LYS 86 2.794 -9.603 -12.127 692 HZ3 LYS 86 2HZ LYS 86 3.306 -8.490 -10.992 693 H VAL 87 H VAL 87 -3.819 -9.937 -6.589 694 HA VAL 87 HA VAL 87 -5.572 -11.851 -7.833 695 HB VAL 87 HB VAL 87 -6.253 -9.372 -6.219 696 HG11 VAL 87 1HG1 VAL 87 -7.879 -11.840 -6.779 697 HG12 VAL 87 2HG1 VAL 87 -8.152 -10.237 -7.461 698 HG13 VAL 87 3HG1 VAL 87 -8.363 -10.509 -5.730 699 HG21 VAL 87 3HG2 VAL 87 -5.870 -12.201 -5.260 700 HG22 VAL 87 1HG2 VAL 87 -6.424 -10.852 -4.270 701 HG23 VAL 87 2HG2 VAL 87 -4.787 -10.848 -4.939 702 H SER 88 H SER 88 -6.776 -11.533 -9.679 703 HA SER 88 HA SER 88 -6.374 -9.043 -11.107 704 HB2 SER 88 2HB SER 88 -7.643 -11.653 -12.010 705 HB3 SER 88 1HB SER 88 -7.315 -10.254 -13.029 706 HG SER 88 HG SER 88 -5.684 -11.686 -13.275 707 H GLU 89 H GLU 89 -8.668 -8.914 -12.652 708 HA GLU 89 HA GLU 89 -10.294 -7.344 -11.030 709 HB2 GLU 89 2HB GLU 89 -10.915 -8.552 -13.708 710 HB3 GLU 89 1HB GLU 89 -11.840 -7.273 -12.919 711 HG2 GLU 89 2HG GLU 89 -9.896 -5.816 -13.058 712 HG3 GLU 89 1HG GLU 89 -8.997 -7.113 -13.854 713 H GLN 90 H GLN 90 -10.837 -10.615 -12.289 714 HA GLN 90 HA GLN 90 -13.475 -10.851 -11.359 715 HB2 GLN 90 2HB GLN 90 -12.535 -12.337 -13.072 716 HB3 GLN 90 1HB GLN 90 -11.464 -13.047 -11.875 717 HG2 GLN 90 2HG GLN 90 -13.371 -14.494 -12.354 718 HG3 GLN 90 1HG GLN 90 -13.380 -13.958 -10.675 719 HE21 GLN 90 1HE2 GLN 90 -14.970 -12.499 -9.999 720 HE22 GLN 90 2HE2 GLN 90 -16.407 -12.230 -10.904 721 H GLY 91 H GLY 91 -10.420 -11.540 -9.761 722 HA2 GLY 91 2HA GLY 91 -11.576 -12.703 -7.449 723 HA3 GLY 91 1HA GLY 91 -9.962 -12.001 -7.568 724 H LEU 92 H LEU 92 -10.604 -9.438 -8.355 725 HA LEU 92 HA LEU 92 -11.212 -8.209 -5.889 726 HB2 LEU 92 2HB LEU 92 -9.777 -7.179 -7.562 727 HB3 LEU 92 1HB LEU 92 -11.140 -7.020 -8.652 728 HG LEU 92 HG LEU 92 -12.221 -5.669 -6.771 729 HD11 LEU 92 1HD1 LEU 92 -10.734 -6.186 -4.994 730 HD12 LEU 92 2HD1 LEU 92 -10.691 -4.454 -5.320 731 HD13 LEU 92 3HD1 LEU 92 -9.373 -5.485 -5.870 732 HD21 LEU 92 3HD2 LEU 92 -11.225 -3.618 -7.588 733 HD22 LEU 92 1HD2 LEU 92 -11.509 -4.743 -8.911 734 HD23 LEU 92 2HD2 LEU 92 -9.876 -4.525 -8.277 735 H ILE 93 H ILE 93 -13.110 -8.721 -8.819 736 HA ILE 93 HA ILE 93 -15.386 -7.259 -8.113 737 HB ILE 93 HB ILE 93 -15.186 -9.772 -9.825 738 HG12 ILE 93 2HG1 ILE 93 -15.424 -6.853 -10.597 739 HG13 ILE 93 1HG1 ILE 93 -13.941 -7.794 -10.641 740 HG21 ILE 93 1HG2 ILE 93 -17.522 -7.867 -9.581 741 HG22 ILE 93 2HG2 ILE 93 -17.482 -9.537 -9.016 742 HG23 ILE 93 3HG2 ILE 93 -17.393 -9.191 -10.743 743 HD11 ILE 93 3HD1 ILE 93 -14.907 -7.544 -12.857 744 HD12 ILE 93 1HD1 ILE 93 -16.401 -8.294 -12.302 745 HD13 ILE 93 2HD1 ILE 93 -14.909 -9.235 -12.358 746 H GLU 94 H GLU 94 -14.369 -10.481 -7.249 747 HA GLU 94 HA GLU 94 -16.772 -11.160 -5.918 748 HB2 GLU 94 2HB GLU 94 -15.246 -12.855 -6.789 749 HB3 GLU 94 1HB GLU 94 -13.999 -12.328 -5.678 750 HG2 GLU 94 2HG GLU 94 -15.138 -13.187 -3.825 751 HG3 GLU 94 1HG GLU 94 -16.642 -13.369 -4.733 752 H ILE 95 H ILE 95 -13.767 -9.641 -4.941 753 HA ILE 95 HA ILE 95 -14.234 -9.438 -2.149 754 HB ILE 95 HB ILE 95 -12.898 -7.302 -3.859 755 HG12 ILE 95 2HG1 ILE 95 -11.908 -9.547 -4.309 756 HG13 ILE 95 1HG1 ILE 95 -10.772 -8.425 -3.592 757 HG21 ILE 95 1HG2 ILE 95 -11.611 -6.813 -1.835 758 HG22 ILE 95 2HG2 ILE 95 -12.594 -8.008 -0.976 759 HG23 ILE 95 3HG2 ILE 95 -13.350 -6.567 -1.642 760 HD11 ILE 95 3HD1 ILE 95 -12.251 -10.628 -2.193 761 HD12 ILE 95 1HD1 ILE 95 -11.105 -9.515 -1.438 762 HD13 ILE 95 2HD1 ILE 95 -10.548 -10.641 -2.682 763 H LEU 96 H LEU 96 -15.066 -7.462 -4.904 764 HA LEU 96 HA LEU 96 -16.317 -5.337 -3.627 765 HB2 LEU 96 2HB LEU 96 -15.522 -5.537 -6.032 766 HB3 LEU 96 1HB LEU 96 -16.995 -6.417 -6.359 767 HG LEU 96 HG LEU 96 -18.273 -4.377 -5.640 768 HD11 LEU 96 1HD1 LEU 96 -15.534 -3.101 -5.728 769 HD12 LEU 96 2HD1 LEU 96 -16.535 -3.300 -4.291 770 HD13 LEU 96 3HD1 LEU 96 -17.061 -2.237 -5.595 771 HD21 LEU 96 3HD2 LEU 96 -16.359 -4.038 -7.948 772 HD22 LEU 96 1HD2 LEU 96 -17.878 -3.174 -7.729 773 HD23 LEU 96 2HD2 LEU 96 -17.886 -4.916 -8.002 774 H LYS 97 H LYS 97 -17.516 -8.490 -4.662 775 HA LYS 97 HA LYS 97 -20.305 -8.121 -4.206 776 HB2 LYS 97 2HB LYS 97 -18.689 -10.656 -3.791 777 HB3 LYS 97 1HB LYS 97 -20.429 -10.575 -3.959 778 HG2 LYS 97 2HG LYS 97 -18.438 -9.840 -6.091 779 HG3 LYS 97 1HG LYS 97 -19.270 -11.389 -5.976 780 HD2 LYS 97 2HD LYS 97 -20.632 -8.723 -6.277 781 HD3 LYS 97 1HD LYS 97 -20.251 -9.801 -7.617 782 HE2 LYS 97 2HE LYS 97 -21.667 -11.531 -6.575 783 HE3 LYS 97 1HE LYS 97 -22.071 -10.403 -5.285 784 HZ1 LYS 97 3HZ LYS 97 -23.069 -8.932 -6.954 785 HZ2 LYS 97 1HZ LYS 97 -23.779 -10.453 -6.983 786 HZ3 LYS 97 2HZ LYS 97 -22.684 -10.027 -8.166 787 H LYS 98 H LYS 98 -17.701 -9.326 -2.206 788 HA LYS 98 HA LYS 98 -19.111 -9.919 0.118 789 HB2 LYS 98 2HB LYS 98 -16.228 -9.092 -0.226 790 HB3 LYS 98 1HB LYS 98 -16.903 -9.810 1.231 791 HG2 LYS 98 2HG LYS 98 -17.392 -11.851 0.065 792 HG3 LYS 98 1HG LYS 98 -16.888 -11.140 -1.465 793 HD2 LYS 98 2HD LYS 98 -15.158 -12.610 -0.552 794 HD3 LYS 98 1HD LYS 98 -14.597 -10.942 -0.630 795 HE2 LYS 98 2HE LYS 98 -15.052 -10.679 1.752 796 HE3 LYS 98 1HE LYS 98 -15.657 -12.329 1.831 797 HZ1 LYS 98 3HZ LYS 98 -12.883 -11.609 1.056 798 HZ2 LYS 98 1HZ LYS 98 -13.512 -13.138 1.264 799 HZ3 LYS 98 2HZ LYS 98 -13.338 -12.128 2.597 800 H VAL 99 H VAL 99 -17.397 -6.932 -0.776 801 HA VAL 99 HA VAL 99 -18.054 -5.675 1.695 802 HB VAL 99 HB VAL 99 -17.117 -3.619 0.821 803 HG11 VAL 99 1HG1 VAL 99 -15.535 -5.274 1.597 804 HG12 VAL 99 2HG1 VAL 99 -14.854 -4.365 0.248 805 HG13 VAL 99 3HG1 VAL 99 -15.472 -5.999 -0.009 806 HG21 VAL 99 3HG2 VAL 99 -16.288 -3.450 -1.495 807 HG22 VAL 99 1HG2 VAL 99 -18.042 -3.641 -1.416 808 HG23 VAL 99 2HG2 VAL 99 -17.031 -5.019 -1.834 809 H SER 100 H SER 100 -19.741 -5.951 -1.322 810 HA SER 100 HA SER 100 -21.457 -3.766 -0.826 811 HB2 SER 100 2HB SER 100 -21.682 -6.102 -2.710 812 HB3 SER 100 1HB SER 100 -22.765 -4.707 -2.706 813 HG SER 100 HG SER 100 -20.073 -4.904 -3.424 814 H GLN 101 H GLN 101 -21.303 -6.963 0.346 815 HA GLN 101 HA GLN 101 -24.079 -7.125 0.984 816 HB2 GLN 101 2HB GLN 101 -21.735 -8.786 1.868 817 HB3 GLN 101 1HB GLN 101 -23.368 -9.054 2.463 818 HG2 GLN 101 2HG GLN 101 -22.416 -9.255 -0.380 819 HG3 GLN 101 1HG GLN 101 -22.879 -10.585 0.684 820 HE21 GLN 101 1HE2 GLN 101 -25.069 -10.824 1.242 821 HE22 GLN 101 2HE2 GLN 101 -26.311 -10.134 0.265 822 H GLN 102 H GLN 102 -21.408 -7.268 3.282 823 HA GLN 102 HA GLN 102 -22.883 -5.326 4.922 824 HB2 GLN 102 2HB GLN 102 -21.578 -7.846 5.983 825 HB3 GLN 102 1HB GLN 102 -22.464 -6.655 6.926 826 HG2 GLN 102 2HG GLN 102 -24.508 -7.200 5.692 827 HG3 GLN 102 1HG GLN 102 -23.618 -8.389 4.753 828 HE21 GLN 102 1HE2 GLN 102 -22.095 -9.273 7.118 829 HE22 GLN 102 2HE2 GLN 102 -23.240 -10.182 8.057 830 H THR 103 H THR 103 -19.851 -7.131 4.879 831 HA THR 103 HA THR 103 -18.352 -4.650 4.771 832 HB THR 103 HB THR 103 -17.818 -6.675 6.969 833 HG1 THR 103 1HG THR 103 -19.475 -4.551 6.892 834 HG21 THR 103 3HG2 THR 103 -15.779 -5.586 6.133 835 HG22 THR 103 1HG2 THR 103 -16.157 -5.043 7.769 836 HG23 THR 103 2HG2 THR 103 -16.517 -4.003 6.392 837 H GLU 104 H GLU 104 -17.904 -8.094 5.397 838 HA GLU 104 HA GLU 104 -17.129 -8.900 2.971 839 HB2 GLU 104 2HB GLU 104 -14.631 -9.312 3.160 840 HB3 GLU 104 1HB GLU 104 -15.040 -7.640 2.930 841 HG2 GLU 104 2HG GLU 104 -13.313 -7.635 4.476 842 HG3 GLU 104 1HG GLU 104 -14.752 -7.440 5.469 843 H LYS 105 H LYS 105 -17.164 -9.269 6.290 844 HA LYS 105 HA LYS 105 -17.725 -12.097 5.893 845 HB2 LYS 105 2HB LYS 105 -16.302 -10.774 8.234 846 HB3 LYS 105 1HB LYS 105 -16.952 -12.400 8.288 847 HG2 LYS 105 2HG LYS 105 -15.438 -13.081 6.519 848 HG3 LYS 105 1HG LYS 105 -14.799 -11.439 6.421 849 HD2 LYS 105 2HD LYS 105 -14.025 -11.618 8.742 850 HD3 LYS 105 1HD LYS 105 -14.662 -13.264 8.821 851 HE2 LYS 105 2HE LYS 105 -12.279 -13.326 8.400 852 HE3 LYS 105 1HE LYS 105 -13.153 -13.913 6.989 853 HZ1 LYS 105 3HZ LYS 105 -12.854 -11.639 6.000 854 HZ2 LYS 105 1HZ LYS 105 -11.405 -12.465 6.294 855 HZ3 LYS 105 2HZ LYS 105 -11.929 -11.233 7.324 856 H THR 106 H THR 106 -18.963 -12.612 8.268 857 HA THR 106 HA THR 106 -20.977 -10.550 8.222 858 HB THR 106 HB THR 106 -22.009 -12.515 7.394 859 HG1 THR 106 1HG THR 106 -22.712 -12.275 10.115 860 HG21 THR 106 3HG2 THR 106 -22.083 -14.672 8.606 861 HG22 THR 106 1HG2 THR 106 -21.013 -14.002 9.838 862 HG23 THR 106 2HG2 THR 106 -20.431 -14.223 8.187 863 H THR 107 H THR 107 -19.934 -9.254 9.682 864 HA THR 107 HA THR 107 -19.604 -10.216 12.373 865 HB THR 107 HB THR 107 -19.396 -7.374 11.322 866 HG1 THR 107 1HG THR 107 -17.026 -8.153 11.635 867 HG21 THR 107 3HG2 THR 107 -17.988 -7.021 13.306 868 HG22 THR 107 1HG2 THR 107 -18.223 -8.703 13.783 869 HG23 THR 107 2HG2 THR 107 -19.588 -7.591 13.783 870 H THR 108 H THR 108 -21.663 -7.992 10.594 871 HA THR 108 HA THR 108 -23.498 -7.794 12.826 872 HB THR 108 HB THR 108 -23.774 -6.695 10.015 873 HG1 THR 108 1HG THR 108 -22.439 -5.666 12.296 874 HG21 THR 108 3HG2 THR 108 -24.907 -5.796 12.675 875 HG22 THR 108 1HG2 THR 108 -25.798 -6.649 11.416 876 HG23 THR 108 2HG2 THR 108 -25.191 -5.020 11.119 877 H VAL 109 H VAL 109 -24.957 -9.481 13.012 878 HA VAL 109 HA VAL 109 -25.628 -10.833 10.543 879 HB VAL 109 HB VAL 109 -26.920 -12.500 11.948 880 HG11 VAL 109 1HG1 VAL 109 -24.907 -13.626 12.814 881 HG12 VAL 109 2HG1 VAL 109 -23.998 -12.129 12.575 882 HG13 VAL 109 3HG1 VAL 109 -24.671 -12.980 11.189 883 HG21 VAL 109 3HG2 VAL 109 -26.488 -12.573 14.351 884 HG22 VAL 109 1HG2 VAL 109 -27.308 -11.077 13.900 885 HG23 VAL 109 2HG2 VAL 109 -25.575 -11.069 14.234 886 H LYS 110 H LYS 110 -27.205 -8.946 13.033 887 HA LYS 110 HA LYS 110 -29.558 -8.873 11.355 888 HB2 LYS 110 2HB LYS 110 -29.959 -9.018 13.776 889 HB3 LYS 110 1HB LYS 110 -29.007 -7.572 14.048 890 HG2 LYS 110 2HG LYS 110 -31.432 -7.165 14.230 891 HG3 LYS 110 1HG LYS 110 -30.677 -6.207 12.963 892 HD2 LYS 110 2HD LYS 110 -31.519 -7.732 11.266 893 HD3 LYS 110 1HD LYS 110 -32.195 -8.784 12.515 894 HE2 LYS 110 2HE LYS 110 -33.746 -7.050 13.193 895 HE3 LYS 110 1HE LYS 110 -32.981 -5.907 12.095 896 HZ1 LYS 110 3HZ LYS 110 -34.354 -8.377 11.151 897 HZ2 LYS 110 1HZ LYS 110 -33.744 -7.090 10.247 898 HZ3 LYS 110 2HZ LYS 110 -35.079 -6.852 11.227 899 H PHE 111 H PHE 111 -28.530 -8.019 9.632 900 HA PHE 111 HA PHE 111 -27.089 -5.611 9.591 901 HB2 PHE 111 2HB PHE 111 -27.518 -5.698 7.068 902 HB3 PHE 111 1HB PHE 111 -26.695 -7.079 7.774 903 HD1 PHE 111 1HD PHE 111 -27.822 -9.242 7.925 904 HD2 PHE 111 2HD PHE 111 -29.751 -5.897 6.145 905 HE1 PHE 111 1HE PHE 111 -29.496 -10.740 6.939 906 HE2 PHE 111 2HE PHE 111 -31.435 -7.396 5.155 907 HZ PHE 111 HZ PHE 111 -31.309 -9.820 5.554 908 H ASN 112 H ASN 112 -30.461 -6.259 8.710 909 HA ASN 112 HA ASN 112 -31.637 -4.146 9.880 910 HB2 ASN 112 2HB ASN 112 -30.388 -2.651 8.306 911 HB3 ASN 112 1HB ASN 112 -31.059 -3.532 6.942 912 HD21 ASN 112 1HD2 ASN 112 -31.881 -1.535 6.206 913 HD22 ASN 112 2HD2 ASN 112 -33.316 -0.843 6.865 Start of MODEL 20 1 H1 GLY 0 1HT GLY 0 32.279 24.199 40.546 2 H2 GLY 0 2HT GLY 0 33.947 24.003 40.272 3 H3 GLY 0 3HT GLY 0 33.035 22.767 40.988 4 HA2 GLY 0 1HA GLY 0 32.659 23.740 38.251 5 HA3 GLY 0 2HA GLY 0 33.498 22.260 38.716 6 H SER 1 H SER 1 31.994 21.060 37.529 7 HA SER 1 HA SER 1 30.306 19.711 37.229 8 HB2 SER 1 2HB SER 1 29.682 20.275 40.120 9 HB3 SER 1 1HB SER 1 28.900 19.014 39.163 10 HG SER 1 HG SER 1 31.276 18.447 38.697 11 H ALA 2 H ALA 2 29.821 22.868 37.278 12 HA ALA 2 HA ALA 2 26.944 22.887 37.346 13 HB1 ALA 2 1HB ALA 2 28.188 24.899 38.008 14 HB2 ALA 2 2HB ALA 2 27.135 25.241 36.636 15 HB3 ALA 2 3HB ALA 2 28.865 25.025 36.388 16 H ASP 3 H ASP 3 29.486 22.718 34.957 17 HA ASP 3 HA ASP 3 27.692 22.786 32.711 18 HB2 ASP 3 2HB ASP 3 30.110 23.394 32.486 19 HB3 ASP 3 1HB ASP 3 30.547 21.737 32.853 20 H GLU 4 H GLU 4 29.188 20.416 34.764 21 HA GLU 4 HA GLU 4 28.354 18.084 33.454 22 HB2 GLU 4 2HB GLU 4 28.773 18.527 36.419 23 HB3 GLU 4 1HB GLU 4 28.527 16.956 35.675 24 HG2 GLU 4 2HG GLU 4 30.560 17.304 34.335 25 HG3 GLU 4 1HG GLU 4 30.834 18.819 35.179 26 H GLU 5 H GLU 5 26.667 20.178 35.724 27 HA GLU 5 HA GLU 5 24.351 18.660 36.021 28 HB2 GLU 5 2HB GLU 5 24.891 21.587 36.201 29 HB3 GLU 5 1HB GLU 5 23.246 20.978 36.317 30 HG2 GLU 5 2HG GLU 5 25.551 20.211 38.082 31 HG3 GLU 5 1HG GLU 5 24.203 21.274 38.514 32 H LEU 6 H LEU 6 25.187 21.043 33.577 33 HA LEU 6 HA LEU 6 22.717 20.931 32.226 34 HB2 LEU 6 2HB LEU 6 24.204 22.800 31.890 35 HB3 LEU 6 1HB LEU 6 25.472 21.740 31.312 36 HG LEU 6 HG LEU 6 24.174 21.262 29.291 37 HD11 LEU 6 1HD1 LEU 6 22.157 23.190 30.427 38 HD12 LEU 6 2HD1 LEU 6 21.926 21.466 30.143 39 HD13 LEU 6 3HD1 LEU 6 22.161 22.560 28.783 40 HD21 LEU 6 3HD2 LEU 6 24.347 23.471 28.261 41 HD22 LEU 6 1HD2 LEU 6 25.741 23.114 29.280 42 HD23 LEU 6 2HD2 LEU 6 24.482 24.203 29.862 43 H GLU 7 H GLU 7 25.775 19.285 31.846 44 HA GLU 7 HA GLU 7 25.304 17.772 29.567 45 HB2 GLU 7 2HB GLU 7 27.480 18.036 30.813 46 HB3 GLU 7 1HB GLU 7 26.851 16.941 32.021 47 HG2 GLU 7 2HG GLU 7 28.355 15.797 30.499 48 HG3 GLU 7 1HG GLU 7 26.715 15.163 30.371 49 H ALA 8 H ALA 8 24.874 16.871 32.946 50 HA ALA 8 HA ALA 8 23.790 14.314 32.516 51 HB1 ALA 8 1HB ALA 8 23.385 16.122 34.894 52 HB2 ALA 8 2HB ALA 8 24.735 15.010 34.670 53 HB3 ALA 8 3HB ALA 8 23.096 14.385 34.852 54 H LEU 9 H LEU 9 22.245 17.446 32.998 55 HA LEU 9 HA LEU 9 19.593 16.558 33.138 56 HB2 LEU 9 2HB LEU 9 20.456 18.823 33.788 57 HB3 LEU 9 1HB LEU 9 20.645 19.197 32.097 58 HG LEU 9 HG LEU 9 17.952 18.623 33.356 59 HD11 LEU 9 1HD1 LEU 9 19.351 21.258 32.941 60 HD12 LEU 9 2HD1 LEU 9 18.967 20.505 34.491 61 HD13 LEU 9 3HD1 LEU 9 17.668 21.064 33.437 62 HD21 LEU 9 3HD2 LEU 9 18.719 20.084 30.816 63 HD22 LEU 9 1HD2 LEU 9 17.079 19.860 31.427 64 HD23 LEU 9 2HD2 LEU 9 18.015 18.466 30.895 65 H ARG 10 H ARG 10 21.484 17.783 30.397 66 HA ARG 10 HA ARG 10 19.413 17.469 28.531 67 HB2 ARG 10 2HB ARG 10 21.302 18.971 28.152 68 HB3 ARG 10 1HB ARG 10 22.392 17.599 28.057 69 HG2 ARG 10 2HG ARG 10 21.328 16.832 26.034 70 HG3 ARG 10 1HG ARG 10 20.108 18.099 26.158 71 HD2 ARG 10 2HD ARG 10 21.852 19.797 25.943 72 HD3 ARG 10 1HD ARG 10 23.071 18.535 25.803 73 HE ARG 10 HE ARG 10 21.214 18.024 23.839 74 HH11 ARG 10 1HH1 ARG 10 23.418 20.667 24.653 75 HH12 ARG 10 2HH1 ARG 10 23.642 21.210 23.076 76 HH21 ARG 10 1HH2 ARG 10 21.495 18.764 21.592 77 HH22 ARG 10 2HH2 ARG 10 22.469 20.110 21.292 78 H ARG 11 H ARG 11 22.089 15.330 29.434 79 HA ARG 11 HA ARG 11 21.574 13.392 27.431 80 HB2 ARG 11 2HB ARG 11 22.883 13.018 30.125 81 HB3 ARG 11 1HB ARG 11 22.888 11.825 28.835 82 HG2 ARG 11 2HG ARG 11 24.145 13.367 27.420 83 HG3 ARG 11 1HG ARG 11 24.128 14.562 28.718 84 HD2 ARG 11 2HD ARG 11 26.240 13.418 28.751 85 HD3 ARG 11 1HD ARG 11 25.302 12.928 30.161 86 HE ARG 11 HE ARG 11 24.801 11.132 28.108 87 HH11 ARG 11 1HH1 ARG 11 27.402 12.022 30.317 88 HH12 ARG 11 2HH1 ARG 11 28.233 10.550 30.192 89 HH21 ARG 11 1HH2 ARG 11 25.927 9.043 27.939 90 HH22 ARG 11 2HH2 ARG 11 27.354 8.808 28.822 91 H GLN 12 H GLN 12 20.493 13.630 30.791 92 HA GLN 12 HA GLN 12 19.109 11.195 30.802 93 HB2 GLN 12 2HB GLN 12 19.714 12.364 32.851 94 HB3 GLN 12 1HB GLN 12 18.651 13.691 32.426 95 HG2 GLN 12 2HG GLN 12 16.715 12.322 32.715 96 HG3 GLN 12 1HG GLN 12 17.712 10.883 32.930 97 HE21 GLN 12 1HE2 GLN 12 18.785 10.578 34.837 98 HE22 GLN 12 2HE2 GLN 12 18.431 11.472 36.269 99 H ARG 13 H ARG 13 17.944 14.508 30.276 100 HA ARG 13 HA ARG 13 15.268 13.922 29.713 101 HB2 ARG 13 2HB ARG 13 17.099 16.167 29.060 102 HB3 ARG 13 1HB ARG 13 15.603 16.068 28.161 103 HG2 ARG 13 2HG ARG 13 15.479 17.620 30.066 104 HG3 ARG 13 1HG ARG 13 14.319 16.312 30.182 105 HD2 ARG 13 2HD ARG 13 16.941 16.053 31.589 106 HD3 ARG 13 1HD ARG 13 15.716 17.112 32.277 107 HE ARG 13 HE ARG 13 14.987 14.322 31.662 108 HH11 ARG 13 1HH1 ARG 13 15.691 16.759 34.167 109 HH12 ARG 13 2HH1 ARG 13 14.980 15.867 35.411 110 HH21 ARG 13 1HH2 ARG 13 14.052 13.167 33.287 111 HH22 ARG 13 2HH2 ARG 13 14.004 13.714 34.919 112 H LEU 14 H LEU 14 18.093 13.913 27.591 113 HA LEU 14 HA LEU 14 16.734 13.585 25.135 114 HB2 LEU 14 2HB LEU 14 19.143 14.313 25.536 115 HB3 LEU 14 1HB LEU 14 19.518 12.645 25.865 116 HG LEU 14 HG LEU 14 18.543 13.662 23.175 117 HD11 LEU 14 1HD1 LEU 14 20.681 14.651 23.744 118 HD12 LEU 14 2HD1 LEU 14 20.879 13.438 22.473 119 HD13 LEU 14 3HD1 LEU 14 21.327 13.059 24.136 120 HD21 LEU 14 3HD2 LEU 14 19.413 11.528 22.317 121 HD22 LEU 14 1HD2 LEU 14 18.147 11.256 23.520 122 HD23 LEU 14 2HD2 LEU 14 19.838 11.040 23.962 123 H ALA 15 H ALA 15 18.118 11.312 27.474 124 HA ALA 15 HA ALA 15 17.706 8.980 25.960 125 HB1 ALA 15 1HB ALA 15 18.205 7.775 28.004 126 HB2 ALA 15 2HB ALA 15 17.956 9.242 28.948 127 HB3 ALA 15 3HB ALA 15 19.308 9.143 27.821 128 H GLU 16 H GLU 16 15.800 10.502 28.501 129 HA GLU 16 HA GLU 16 13.830 8.529 28.836 130 HB2 GLU 16 2HB GLU 16 13.540 11.501 29.079 131 HB3 GLU 16 1HB GLU 16 12.466 10.305 29.780 132 HG2 GLU 16 2HG GLU 16 14.344 9.457 31.057 133 HG3 GLU 16 1HG GLU 16 15.336 10.769 30.437 134 H LEU 17 H LEU 17 13.922 11.359 26.880 135 HA LEU 17 HA LEU 17 11.347 10.965 25.736 136 HB2 LEU 17 2HB LEU 17 12.496 13.168 26.159 137 HB3 LEU 17 1HB LEU 17 13.546 12.830 24.814 138 HG LEU 17 HG LEU 17 11.764 14.495 24.338 139 HD11 LEU 17 1HD1 LEU 17 11.542 12.022 22.654 140 HD12 LEU 17 2HD1 LEU 17 12.724 13.318 22.469 141 HD13 LEU 17 3HD1 LEU 17 11.011 13.639 22.201 142 HD21 LEU 17 3HD2 LEU 17 10.001 13.567 25.723 143 HD22 LEU 17 1HD2 LEU 17 9.871 12.173 24.650 144 HD23 LEU 17 2HD2 LEU 17 9.450 13.778 24.059 145 H GLN 18 H GLN 18 14.576 9.969 24.963 146 HA GLN 18 HA GLN 18 15.594 8.908 23.280 147 HB2 GLN 18 2HB GLN 18 12.761 8.066 22.552 148 HB3 GLN 18 1HB GLN 18 14.193 7.424 21.762 149 HG2 GLN 18 2HG GLN 18 14.950 6.450 23.839 150 HG3 GLN 18 1HG GLN 18 13.596 7.180 24.700 151 HE21 GLN 18 1HE2 GLN 18 14.562 4.700 22.461 152 HE22 GLN 18 2HE2 GLN 18 13.108 3.786 22.548 153 H ALA 19 H ALA 19 15.440 11.408 23.069 154 HA ALA 19 HA ALA 19 14.124 12.514 20.828 155 HB1 ALA 19 1HB ALA 19 14.795 13.840 22.795 156 HB2 ALA 19 2HB ALA 19 15.397 14.518 21.284 157 HB3 ALA 19 3HB ALA 19 16.483 13.618 22.339 158 H LYS 20 H LYS 20 14.576 12.053 18.820 159 HA LYS 20 HA LYS 20 17.374 11.762 18.036 160 HB2 LYS 20 2HB LYS 20 16.617 10.585 16.046 161 HB3 LYS 20 1HB LYS 20 15.885 9.821 17.444 162 HG2 LYS 20 2HG LYS 20 13.759 10.854 16.971 163 HG3 LYS 20 1HG LYS 20 14.479 11.834 15.696 164 HD2 LYS 20 2HD LYS 20 13.289 10.025 14.658 165 HD3 LYS 20 1HD LYS 20 15.014 9.720 14.468 166 HE2 LYS 20 2HE LYS 20 14.902 8.191 16.410 167 HE3 LYS 20 1HE LYS 20 13.160 8.466 16.480 168 HZ1 LYS 20 3HZ LYS 20 14.685 7.099 14.339 169 HZ2 LYS 20 1HZ LYS 20 13.068 7.588 14.149 170 HZ3 LYS 20 2HZ LYS 20 13.497 6.483 15.336 171 H HIS 21 H HIS 21 18.203 13.215 16.607 172 HA HIS 21 HA HIS 21 16.287 14.906 15.230 173 HB2 HIS 21 2HB HIS 21 17.091 16.103 17.323 174 HB3 HIS 21 1HB HIS 21 18.706 16.090 16.629 175 HD1 HIS 21 1HD HIS 21 15.944 16.746 14.199 176 HD2 HIS 21 2HD HIS 21 18.558 18.934 16.595 177 HE1 HIS 21 1HE HIS 21 15.831 19.092 13.352 178 HE2 HIS 21 2HE HIS 21 17.741 20.226 14.548 179 H GLY 22 H GLY 22 17.956 12.653 14.577 180 HA2 GLY 22 2HA GLY 22 19.940 13.677 12.732 181 HA3 GLY 22 1HA GLY 22 19.430 11.991 12.898 182 H ASP 23 H ASP 23 17.954 15.073 12.090 183 HA ASP 23 HA ASP 23 16.839 13.959 9.679 184 HB2 ASP 23 2HB ASP 23 14.573 14.614 10.217 185 HB3 ASP 23 1HB ASP 23 15.157 13.570 11.505 186 HA PRO 24 HA PRO 24 17.716 18.265 8.721 187 HB2 PRO 24 2HB PRO 24 16.529 17.983 6.107 188 HB3 PRO 24 1HB PRO 24 18.243 17.982 6.526 189 HG2 PRO 24 2HG PRO 24 16.932 15.771 5.579 190 HG3 PRO 24 1HG PRO 24 18.347 15.695 6.638 191 HD2 PRO 24 2HD PRO 24 15.441 15.461 7.380 192 HD3 PRO 24 1HD PRO 24 16.832 14.470 7.881 193 H GLY 25 H GLY 25 14.927 17.422 9.844 194 HA2 GLY 25 2HA GLY 25 13.031 18.572 10.388 195 HA3 GLY 25 1HA GLY 25 13.678 19.951 9.510 196 H ASP 26 H ASP 26 13.101 20.291 7.422 197 HA ASP 26 HA ASP 26 10.553 19.726 6.532 198 HB2 ASP 26 2HB ASP 26 11.811 21.543 5.584 199 HB3 ASP 26 1HB ASP 26 13.012 20.438 4.935 200 H ALA 27 H ALA 27 13.531 18.147 5.597 201 HA ALA 27 HA ALA 27 12.517 16.426 3.670 202 HB1 ALA 27 1HB ALA 27 14.878 16.859 3.936 203 HB2 ALA 27 2HB ALA 27 14.553 15.121 3.997 204 HB3 ALA 27 3HB ALA 27 14.860 16.018 5.481 205 H ALA 28 H ALA 28 12.541 16.054 7.174 206 HA ALA 28 HA ALA 28 12.046 13.266 7.147 207 HB1 ALA 28 1HB ALA 28 11.544 15.280 9.329 208 HB2 ALA 28 2HB ALA 28 13.037 14.380 9.064 209 HB3 ALA 28 3HB ALA 28 11.562 13.526 9.533 210 H GLN 29 H GLN 29 10.081 16.127 7.189 211 HA GLN 29 HA GLN 29 7.574 14.904 7.657 212 HB2 GLN 29 2HB GLN 29 8.235 17.453 6.172 213 HB3 GLN 29 1HB GLN 29 6.645 17.003 6.767 214 HG2 GLN 29 2HG GLN 29 7.415 17.143 9.044 215 HG3 GLN 29 1HG GLN 29 9.062 17.453 8.501 216 HE21 GLN 29 1HE2 GLN 29 5.880 18.771 8.843 217 HE22 GLN 29 2HE2 GLN 29 6.321 20.408 8.554 218 H GLN 30 H GLN 30 9.483 15.668 4.833 219 HA GLN 30 HA GLN 30 7.522 14.838 2.955 220 HB2 GLN 30 2HB GLN 30 10.482 15.285 2.610 221 HB3 GLN 30 1HB GLN 30 9.347 15.008 1.297 222 HG2 GLN 30 2HG GLN 30 9.211 17.317 3.225 223 HG3 GLN 30 1HG GLN 30 9.931 17.376 1.624 224 HE21 GLN 30 1HE2 GLN 30 8.504 18.976 0.977 225 HE22 GLN 30 2HE2 GLN 30 6.848 18.681 0.621 226 H GLU 31 H GLU 31 10.185 13.248 4.589 227 HA GLU 31 HA GLU 31 10.158 10.838 3.146 228 HB2 GLU 31 2HB GLU 31 10.748 11.313 6.066 229 HB3 GLU 31 1HB GLU 31 11.004 9.778 5.255 230 HG2 GLU 31 2HG GLU 31 12.636 10.864 3.780 231 HG3 GLU 31 1HG GLU 31 12.383 12.382 4.643 232 H ALA 32 H ALA 32 8.253 11.959 5.876 233 HA ALA 32 HA ALA 32 6.798 9.607 6.341 234 HB1 ALA 32 1HB ALA 32 5.183 11.043 7.497 235 HB2 ALA 32 2HB ALA 32 5.900 12.466 6.744 236 HB3 ALA 32 3HB ALA 32 6.834 11.520 7.902 237 H LYS 33 H LYS 33 6.011 12.436 4.393 238 HA LYS 33 HA LYS 33 3.616 11.529 3.275 239 HB2 LYS 33 2HB LYS 33 4.220 13.841 3.072 240 HB3 LYS 33 1HB LYS 33 5.710 13.439 2.241 241 HG2 LYS 33 2HG LYS 33 4.167 14.285 0.616 242 HG3 LYS 33 1HG LYS 33 4.382 12.540 0.393 243 HD2 LYS 33 2HD LYS 33 2.283 12.132 1.585 244 HD3 LYS 33 1HD LYS 33 2.047 13.871 1.750 245 HE2 LYS 33 2HE LYS 33 0.759 13.012 -0.133 246 HE3 LYS 33 1HE LYS 33 2.019 14.108 -0.687 247 HZ1 LYS 33 3HZ LYS 33 2.172 11.140 -0.743 248 HZ2 LYS 33 1HZ LYS 33 3.375 12.190 -1.319 249 HZ3 LYS 33 2HZ LYS 33 1.883 12.137 -2.072 250 H HIS 34 H HIS 34 6.935 11.172 2.175 251 HA HIS 34 HA HIS 34 6.518 9.943 -0.314 252 HB2 HIS 34 2HB HIS 34 8.661 10.898 0.835 253 HB3 HIS 34 1HB HIS 34 8.822 9.286 1.504 254 HD1 HIS 34 1HD HIS 34 9.565 7.356 -0.205 255 HD2 HIS 34 2HD HIS 34 9.234 11.178 -1.850 256 HE1 HIS 34 1HE HIS 34 10.834 7.297 -2.319 257 HE2 HIS 34 2HE HIS 34 10.403 9.509 -3.416 258 H ARG 35 H ARG 35 6.886 8.665 2.951 259 HA ARG 35 HA ARG 35 6.853 5.923 2.284 260 HB2 ARG 35 2HB ARG 35 7.737 6.942 4.384 261 HB3 ARG 35 1HB ARG 35 6.084 7.259 4.873 262 HG2 ARG 35 2HG ARG 35 5.627 4.886 4.968 263 HG3 ARG 35 1HG ARG 35 7.252 4.528 4.381 264 HD2 ARG 35 2HD ARG 35 6.526 5.911 6.963 265 HD3 ARG 35 1HD ARG 35 7.202 4.294 6.791 266 HE ARG 35 HE ARG 35 9.026 5.845 5.557 267 HH11 ARG 35 1HH1 ARG 35 7.583 5.946 8.781 268 HH12 ARG 35 2HH1 ARG 35 8.901 6.721 9.515 269 HH21 ARG 35 1HH2 ARG 35 10.889 6.901 6.574 270 HH22 ARG 35 2HH2 ARG 35 10.840 7.233 8.237 271 H GLU 36 H GLU 36 4.346 8.261 3.080 272 HA GLU 36 HA GLU 36 2.195 6.443 3.308 273 HB2 GLU 36 2HB GLU 36 2.330 9.373 2.637 274 HB3 GLU 36 1HB GLU 36 0.809 8.501 2.787 275 HG2 GLU 36 2HG GLU 36 2.847 8.514 4.974 276 HG3 GLU 36 1HG GLU 36 1.641 9.791 4.809 277 H ALA 37 H ALA 37 3.653 8.101 0.628 278 HA ALA 37 HA ALA 37 1.766 7.295 -1.310 279 HB1 ALA 37 1HB ALA 37 3.440 8.001 -2.941 280 HB2 ALA 37 2HB ALA 37 4.649 8.108 -1.663 281 HB3 ALA 37 3HB ALA 37 3.264 9.199 -1.657 282 H GLU 38 H GLU 38 5.054 6.172 -0.577 283 HA GLU 38 HA GLU 38 5.104 4.097 -2.438 284 HB2 GLU 38 2HB GLU 38 6.632 4.329 0.138 285 HB3 GLU 38 1HB GLU 38 6.974 3.170 -1.129 286 HG2 GLU 38 2HG GLU 38 7.470 5.037 -2.655 287 HG3 GLU 38 1HG GLU 38 7.191 6.160 -1.323 288 H MET 39 H MET 39 4.340 3.968 1.021 289 HA MET 39 HA MET 39 4.310 1.122 0.982 290 HB2 MET 39 2HB MET 39 4.847 2.554 2.982 291 HB3 MET 39 1HB MET 39 3.118 2.828 3.146 292 HG2 MET 39 2HG MET 39 2.773 0.415 3.361 293 HG3 MET 39 1HG MET 39 4.512 0.167 3.245 294 HE1 MET 39 3HE MET 39 4.161 -0.654 6.943 295 HE2 MET 39 1HE MET 39 4.945 -1.041 5.412 296 HE3 MET 39 2HE MET 39 3.193 -1.177 5.566 297 H ARG 40 H ARG 40 1.760 3.548 0.911 298 HA ARG 40 HA ARG 40 -0.304 1.584 1.178 299 HB2 ARG 40 2HB ARG 40 -0.481 4.453 0.241 300 HB3 ARG 40 1HB ARG 40 -1.863 3.416 0.561 301 HG2 ARG 40 2HG ARG 40 -1.220 3.264 2.898 302 HG3 ARG 40 1HG ARG 40 0.193 4.285 2.595 303 HD2 ARG 40 2HD ARG 40 -1.390 6.061 1.788 304 HD3 ARG 40 1HD ARG 40 -2.716 5.041 2.333 305 HE ARG 40 HE ARG 40 -0.637 6.027 4.179 306 HH11 ARG 40 1HH1 ARG 40 -4.091 5.567 3.414 307 HH12 ARG 40 2HH1 ARG 40 -4.643 6.304 4.832 308 HH21 ARG 40 1HH2 ARG 40 -1.405 7.111 6.064 309 HH22 ARG 40 2HH2 ARG 40 -3.078 7.186 6.417 310 H ASN 41 H ASN 41 1.239 3.225 -1.557 311 HA ASN 41 HA ASN 41 -0.542 2.115 -3.442 312 HB2 ASN 41 2HB ASN 41 0.680 4.130 -4.024 313 HB3 ASN 41 1HB ASN 41 2.216 3.285 -3.861 314 HD21 ASN 41 1HD2 ASN 41 -0.576 3.785 -5.863 315 HD22 ASN 41 2HD2 ASN 41 0.018 2.965 -7.252 316 H SER 42 H SER 42 2.719 1.182 -2.353 317 HA SER 42 HA SER 42 3.130 -0.817 -4.216 318 HB2 SER 42 2HB SER 42 4.750 -1.791 -2.548 319 HB3 SER 42 1HB SER 42 5.004 -0.095 -2.956 320 HG SER 42 HG SER 42 4.147 0.511 -1.091 321 H ILE 43 H ILE 43 1.724 -1.205 -0.941 322 HA ILE 43 HA ILE 43 1.475 -3.963 -1.231 323 HB ILE 43 HB ILE 43 -0.143 -3.986 0.615 324 HG12 ILE 43 2HG1 ILE 43 -0.110 -0.942 0.406 325 HG13 ILE 43 1HG1 ILE 43 -1.474 -2.003 0.111 326 HG21 ILE 43 1HG2 ILE 43 2.199 -3.906 1.142 327 HG22 ILE 43 2HG2 ILE 43 1.293 -2.972 2.335 328 HG23 ILE 43 3HG2 ILE 43 2.192 -2.143 1.066 329 HD11 ILE 43 3HD1 ILE 43 -1.498 -2.645 2.453 330 HD12 ILE 43 1HD1 ILE 43 -1.620 -0.894 2.266 331 HD13 ILE 43 2HD1 ILE 43 -0.089 -1.627 2.747 332 H LEU 44 H LEU 44 -0.709 -1.450 -2.255 333 HA LEU 44 HA LEU 44 -2.737 -3.307 -3.033 334 HB2 LEU 44 2HB LEU 44 -2.259 -0.474 -3.818 335 HB3 LEU 44 1HB LEU 44 -3.706 -1.364 -4.240 336 HG LEU 44 HG LEU 44 -2.837 -0.593 -1.442 337 HD11 LEU 44 1HD1 LEU 44 -3.637 1.299 -2.738 338 HD12 LEU 44 2HD1 LEU 44 -4.794 0.869 -1.483 339 HD13 LEU 44 3HD1 LEU 44 -5.100 0.411 -3.161 340 HD21 LEU 44 3HD2 LEU 44 -5.326 -2.027 -2.387 341 HD22 LEU 44 1HD2 LEU 44 -5.030 -1.461 -0.743 342 HD23 LEU 44 2HD2 LEU 44 -4.022 -2.730 -1.428 343 H ALA 45 H ALA 45 0.031 -1.811 -4.638 344 HA ALA 45 HA ALA 45 -0.799 -2.661 -7.250 345 HB1 ALA 45 1HB ALA 45 0.514 -0.609 -6.927 346 HB2 ALA 45 2HB ALA 45 1.317 -1.740 -8.018 347 HB3 ALA 45 3HB ALA 45 1.869 -1.579 -6.353 348 H GLN 46 H GLN 46 1.184 -3.971 -4.737 349 HA GLN 46 HA GLN 46 2.370 -5.960 -6.459 350 HB2 GLN 46 2HB GLN 46 2.363 -5.763 -3.432 351 HB3 GLN 46 1HB GLN 46 3.344 -6.872 -4.379 352 HG2 GLN 46 2HG GLN 46 4.512 -4.973 -5.390 353 HG3 GLN 46 1HG GLN 46 3.505 -3.870 -4.482 354 HE21 GLN 46 1HE2 GLN 46 6.402 -4.126 -4.419 355 HE22 GLN 46 2HE2 GLN 46 6.836 -4.448 -2.788 356 H VAL 47 H VAL 47 -0.395 -5.637 -4.456 357 HA VAL 47 HA VAL 47 -1.022 -8.486 -4.536 358 HB VAL 47 HB VAL 47 -2.276 -6.122 -3.143 359 HG11 VAL 47 1HG1 VAL 47 -3.777 -7.768 -2.055 360 HG12 VAL 47 2HG1 VAL 47 -3.282 -8.946 -3.306 361 HG13 VAL 47 3HG1 VAL 47 -4.105 -7.458 -3.755 362 HG21 VAL 47 3HG2 VAL 47 -0.896 -8.597 -2.113 363 HG22 VAL 47 1HG2 VAL 47 -1.650 -7.343 -1.117 364 HG23 VAL 47 2HG2 VAL 47 -0.268 -6.945 -2.133 365 H LEU 48 H LEU 48 -2.419 -5.456 -5.744 366 HA LEU 48 HA LEU 48 -4.370 -7.057 -7.168 367 HB2 LEU 48 2HB LEU 48 -3.911 -4.085 -7.131 368 HB3 LEU 48 1HB LEU 48 -5.213 -4.887 -7.977 369 HG LEU 48 HG LEU 48 -4.827 -4.748 -4.977 370 HD11 LEU 48 1HD1 LEU 48 -5.508 -2.637 -5.908 371 HD12 LEU 48 2HD1 LEU 48 -6.842 -3.370 -5.019 372 HD13 LEU 48 3HD1 LEU 48 -6.824 -3.420 -6.785 373 HD21 LEU 48 3HD2 LEU 48 -7.000 -6.040 -6.620 374 HD22 LEU 48 1HD2 LEU 48 -7.109 -5.724 -4.882 375 HD23 LEU 48 2HD2 LEU 48 -5.876 -6.811 -5.491 376 H ASP 49 H ASP 49 -4.056 -7.662 -9.146 377 HA ASP 49 HA ASP 49 -1.731 -7.138 -10.616 378 HB2 ASP 49 2HB ASP 49 -3.182 -9.100 -11.082 379 HB3 ASP 49 1HB ASP 49 -4.454 -8.012 -11.629 380 H GLN 50 H GLN 50 -1.697 -6.054 -12.671 381 HA GLN 50 HA GLN 50 -2.215 -3.302 -12.570 382 HB2 GLN 50 2HB GLN 50 -0.597 -4.414 -14.108 383 HB3 GLN 50 1HB GLN 50 -1.951 -4.987 -15.065 384 HG2 GLN 50 2HG GLN 50 -2.590 -2.638 -15.483 385 HG3 GLN 50 1HG GLN 50 -1.133 -2.130 -14.635 386 HE21 GLN 50 1HE2 GLN 50 -2.413 -3.546 -17.501 387 HE22 GLN 50 2HE2 GLN 50 -0.953 -3.507 -18.419 388 H SER 51 H SER 51 -4.124 -5.942 -13.857 389 HA SER 51 HA SER 51 -6.060 -4.390 -15.223 390 HB2 SER 51 2HB SER 51 -6.464 -7.184 -14.097 391 HB3 SER 51 1HB SER 51 -7.245 -6.438 -15.479 392 HG SER 51 HG SER 51 -4.571 -7.294 -15.230 393 H ALA 52 H ALA 52 -5.787 -5.734 -11.984 394 HA ALA 52 HA ALA 52 -8.436 -5.050 -11.187 395 HB1 ALA 52 1HB ALA 52 -7.288 -6.911 -10.138 396 HB2 ALA 52 2HB ALA 52 -7.667 -5.683 -8.923 397 HB3 ALA 52 3HB ALA 52 -6.026 -5.830 -9.560 398 H ARG 53 H ARG 53 -5.266 -3.577 -10.923 399 HA ARG 53 HA ARG 53 -5.990 -1.433 -9.235 400 HB2 ARG 53 2HB ARG 53 -3.846 -1.575 -11.372 401 HB3 ARG 53 1HB ARG 53 -4.035 -0.208 -10.293 402 HG2 ARG 53 2HG ARG 53 -3.432 -3.039 -9.399 403 HG3 ARG 53 1HG ARG 53 -2.236 -1.760 -9.606 404 HD2 ARG 53 2HD ARG 53 -4.572 -1.671 -7.676 405 HD3 ARG 53 1HD ARG 53 -2.916 -2.066 -7.258 406 HE ARG 53 HE ARG 53 -2.491 0.282 -8.298 407 HH11 ARG 53 1HH1 ARG 53 -5.163 -0.610 -6.139 408 HH12 ARG 53 2HH1 ARG 53 -5.327 0.967 -5.502 409 HH21 ARG 53 1HH2 ARG 53 -2.686 2.382 -7.352 410 HH22 ARG 53 2HH2 ARG 53 -3.861 2.701 -6.165 411 H ALA 54 H ALA 54 -6.151 -1.798 -12.739 412 HA ALA 54 HA ALA 54 -7.098 0.812 -13.270 413 HB1 ALA 54 1HB ALA 54 -7.712 -0.063 -15.469 414 HB2 ALA 54 2HB ALA 54 -7.475 -1.709 -14.878 415 HB3 ALA 54 3HB ALA 54 -6.102 -0.612 -15.002 416 H ARG 55 H ARG 55 -8.812 -2.317 -12.887 417 HA ARG 55 HA ARG 55 -11.429 -1.437 -13.161 418 HB2 ARG 55 2HB ARG 55 -10.587 -3.786 -13.001 419 HB3 ARG 55 1HB ARG 55 -10.399 -3.528 -11.271 420 HG2 ARG 55 2HG ARG 55 -12.483 -4.637 -11.649 421 HG3 ARG 55 1HG ARG 55 -12.765 -2.959 -11.143 422 HD2 ARG 55 2HD ARG 55 -14.248 -3.573 -12.945 423 HD3 ARG 55 1HD ARG 55 -13.173 -2.289 -13.440 424 HE ARG 55 HE ARG 55 -11.864 -4.496 -14.288 425 HH11 ARG 55 1HH1 ARG 55 -15.156 -3.332 -14.825 426 HH12 ARG 55 2HH1 ARG 55 -15.353 -4.140 -16.303 427 HH21 ARG 55 1HH2 ARG 55 -12.107 -5.635 -16.214 428 HH22 ARG 55 2HH2 ARG 55 -13.558 -5.518 -17.128 429 H LEU 56 H LEU 56 -9.391 -1.544 -10.305 430 HA LEU 56 HA LEU 56 -11.297 -0.670 -8.460 431 HB2 LEU 56 2HB LEU 56 -9.170 -1.716 -7.844 432 HB3 LEU 56 1HB LEU 56 -8.310 -0.312 -8.431 433 HG LEU 56 HG LEU 56 -9.338 1.061 -6.671 434 HD11 LEU 56 1HD1 LEU 56 -11.413 -0.172 -6.390 435 HD12 LEU 56 2HD1 LEU 56 -10.550 -0.032 -4.859 436 HD13 LEU 56 3HD1 LEU 56 -10.518 -1.550 -5.752 437 HD21 LEU 56 3HD2 LEU 56 -8.094 0.137 -4.836 438 HD22 LEU 56 1HD2 LEU 56 -7.179 -0.036 -6.326 439 HD23 LEU 56 2HD2 LEU 56 -8.007 -1.432 -5.636 440 H SER 57 H SER 57 -8.980 1.131 -10.421 441 HA SER 57 HA SER 57 -9.472 3.673 -9.362 442 HB2 SER 57 2HB SER 57 -8.540 2.780 -12.078 443 HB3 SER 57 1HB SER 57 -8.436 4.437 -11.498 444 HG SER 57 HG SER 57 -7.041 2.126 -10.677 445 H ASN 58 H ASN 58 -10.938 1.916 -11.975 446 HA ASN 58 HA ASN 58 -12.757 3.989 -12.746 447 HB2 ASN 58 2HB ASN 58 -12.664 1.047 -13.353 448 HB3 ASN 58 1HB ASN 58 -14.035 2.032 -13.844 449 HD21 ASN 58 1HD2 ASN 58 -10.645 1.392 -14.319 450 HD22 ASN 58 2HD2 ASN 58 -10.476 2.252 -15.792 451 H LEU 59 H LEU 59 -12.911 1.383 -10.457 452 HA LEU 59 HA LEU 59 -15.690 1.480 -9.896 453 HB2 LEU 59 2HB LEU 59 -13.829 -0.278 -9.295 454 HB3 LEU 59 1HB LEU 59 -13.569 0.728 -7.908 455 HG LEU 59 HG LEU 59 -14.963 -1.272 -7.422 456 HD11 LEU 59 1HD1 LEU 59 -16.726 -0.158 -6.142 457 HD12 LEU 59 2HD1 LEU 59 -16.355 1.356 -6.972 458 HD13 LEU 59 3HD1 LEU 59 -15.149 0.600 -5.933 459 HD21 LEU 59 3HD2 LEU 59 -16.148 -1.417 -9.526 460 HD22 LEU 59 1HD2 LEU 59 -17.011 0.081 -9.171 461 HD23 LEU 59 2HD2 LEU 59 -17.277 -1.346 -8.173 462 H ALA 60 H ALA 60 -12.865 3.078 -8.667 463 HA ALA 60 HA ALA 60 -13.848 4.447 -6.448 464 HB1 ALA 60 1HB ALA 60 -11.950 5.905 -6.696 465 HB2 ALA 60 2HB ALA 60 -11.810 5.464 -8.394 466 HB3 ALA 60 3HB ALA 60 -11.461 4.265 -7.153 467 H LEU 61 H LEU 61 -14.310 5.036 -9.776 468 HA LEU 61 HA LEU 61 -15.138 7.773 -9.507 469 HB2 LEU 61 2HB LEU 61 -15.253 5.840 -11.789 470 HB3 LEU 61 1HB LEU 61 -15.677 7.543 -11.923 471 HG LEU 61 HG LEU 61 -12.948 6.443 -11.219 472 HD11 LEU 61 1HD1 LEU 61 -12.291 7.203 -13.436 473 HD12 LEU 61 2HD1 LEU 61 -13.949 7.698 -13.765 474 HD13 LEU 61 3HD1 LEU 61 -13.568 5.991 -13.536 475 HD21 LEU 61 3HD2 LEU 61 -12.194 8.754 -11.516 476 HD22 LEU 61 1HD2 LEU 61 -13.365 8.634 -10.208 477 HD23 LEU 61 2HD2 LEU 61 -13.856 9.271 -11.777 478 H VAL 62 H VAL 62 -16.721 4.635 -9.862 479 HA VAL 62 HA VAL 62 -19.273 5.883 -10.227 480 HB VAL 62 HB VAL 62 -20.302 3.634 -10.151 481 HG11 VAL 62 1HG1 VAL 62 -17.898 3.848 -11.947 482 HG12 VAL 62 2HG1 VAL 62 -19.503 4.504 -12.259 483 HG13 VAL 62 3HG1 VAL 62 -19.261 2.759 -12.194 484 HG21 VAL 62 3HG2 VAL 62 -18.854 1.628 -10.087 485 HG22 VAL 62 1HG2 VAL 62 -18.826 2.521 -8.563 486 HG23 VAL 62 2HG2 VAL 62 -17.481 2.664 -9.691 487 H LYS 63 H LYS 63 -17.663 4.372 -7.498 488 HA LYS 63 HA LYS 63 -18.902 6.120 -5.768 489 HB2 LYS 63 2HB LYS 63 -20.138 4.542 -4.273 490 HB3 LYS 63 1HB LYS 63 -20.923 4.841 -5.811 491 HG2 LYS 63 2HG LYS 63 -20.238 2.647 -6.596 492 HG3 LYS 63 1HG LYS 63 -19.338 2.372 -5.094 493 HD2 LYS 63 2HD LYS 63 -21.424 2.642 -3.826 494 HD3 LYS 63 1HD LYS 63 -22.311 2.840 -5.334 495 HE2 LYS 63 2HE LYS 63 -20.719 0.426 -4.548 496 HE3 LYS 63 1HE LYS 63 -22.463 0.569 -4.348 497 HZ1 LYS 63 3HZ LYS 63 -21.975 -0.654 -6.313 498 HZ2 LYS 63 1HZ LYS 63 -20.974 0.541 -6.939 499 HZ3 LYS 63 2HZ LYS 63 -22.635 0.806 -6.794 500 HA PRO 64 HA PRO 64 -14.936 4.932 -4.252 501 HB2 PRO 64 2HB PRO 64 -14.608 7.066 -2.595 502 HB3 PRO 64 1HB PRO 64 -14.368 7.152 -4.340 503 HG2 PRO 64 2HG PRO 64 -16.751 7.963 -2.726 504 HG3 PRO 64 1HG PRO 64 -15.975 8.808 -4.080 505 HD2 PRO 64 2HD PRO 64 -18.229 7.362 -4.351 506 HD3 PRO 64 1HD PRO 64 -17.027 7.492 -5.651 507 H GLU 65 H GLU 65 -17.837 5.123 -2.531 508 HA GLU 65 HA GLU 65 -16.873 4.684 0.096 509 HB2 GLU 65 2HB GLU 65 -19.563 3.958 -1.081 510 HB3 GLU 65 1HB GLU 65 -19.169 3.975 0.636 511 HG2 GLU 65 2HG GLU 65 -18.678 6.385 0.455 512 HG3 GLU 65 1HG GLU 65 -19.207 6.337 -1.224 513 H LYS 66 H LYS 66 -17.867 2.537 -2.491 514 HA LYS 66 HA LYS 66 -17.186 0.265 -0.901 515 HB2 LYS 66 2HB LYS 66 -18.483 0.573 -3.545 516 HB3 LYS 66 1HB LYS 66 -17.460 -0.849 -3.374 517 HG2 LYS 66 2HG LYS 66 -19.771 -1.284 -2.826 518 HG3 LYS 66 1HG LYS 66 -18.638 -1.642 -1.535 519 HD2 LYS 66 2HD LYS 66 -19.247 0.574 -0.515 520 HD3 LYS 66 1HD LYS 66 -20.508 0.706 -1.749 521 HE2 LYS 66 2HE LYS 66 -21.399 -1.388 -1.077 522 HE3 LYS 66 1HE LYS 66 -20.184 -1.556 0.178 523 HZ1 LYS 66 3HZ LYS 66 -21.076 0.486 1.235 524 HZ2 LYS 66 1HZ LYS 66 -22.242 -0.729 1.149 525 HZ3 LYS 66 2HZ LYS 66 -22.297 0.544 0.074 526 H THR 67 H THR 67 -15.588 2.259 -3.210 527 HA THR 67 HA THR 67 -13.419 0.664 -3.885 528 HB THR 67 HB THR 67 -13.277 3.613 -3.306 529 HG1 THR 67 1HG THR 67 -14.435 2.224 -5.517 530 HG21 THR 67 3HG2 THR 67 -11.734 3.609 -5.190 531 HG22 THR 67 1HG2 THR 67 -12.018 1.885 -5.447 532 HG23 THR 67 2HG2 THR 67 -11.207 2.440 -3.981 533 H LYS 68 H LYS 68 -13.790 2.992 -1.171 534 HA LYS 68 HA LYS 68 -11.274 2.427 -0.045 535 HB2 LYS 68 2HB LYS 68 -12.021 3.637 1.936 536 HB3 LYS 68 1HB LYS 68 -12.507 4.492 0.485 537 HG2 LYS 68 2HG LYS 68 -14.775 3.634 0.741 538 HG3 LYS 68 1HG LYS 68 -14.282 2.769 2.197 539 HD2 LYS 68 2HD LYS 68 -13.641 4.913 3.212 540 HD3 LYS 68 1HD LYS 68 -14.217 5.750 1.775 541 HE2 LYS 68 2HE LYS 68 -16.476 4.796 2.178 542 HE3 LYS 68 1HE LYS 68 -15.864 4.067 3.656 543 HZ1 LYS 68 3HZ LYS 68 -16.985 6.119 4.115 544 HZ2 LYS 68 1HZ LYS 68 -15.959 6.958 3.059 545 HZ3 LYS 68 2HZ LYS 68 -15.345 6.263 4.482 546 H ALA 69 H ALA 69 -14.362 0.911 0.289 547 HA ALA 69 HA ALA 69 -13.818 -0.609 2.585 548 HB1 ALA 69 1HB ALA 69 -15.686 -2.031 1.870 549 HB2 ALA 69 2HB ALA 69 -15.659 -1.269 0.281 550 HB3 ALA 69 3HB ALA 69 -16.090 -0.322 1.705 551 H VAL 70 H VAL 70 -13.441 -1.406 -0.901 552 HA VAL 70 HA VAL 70 -12.203 -3.863 -0.225 553 HB VAL 70 HB VAL 70 -11.548 -4.105 -2.611 554 HG11 VAL 70 1HG1 VAL 70 -13.763 -4.286 -3.547 555 HG12 VAL 70 2HG1 VAL 70 -14.394 -3.225 -2.293 556 HG13 VAL 70 3HG1 VAL 70 -13.765 -4.817 -1.861 557 HG21 VAL 70 3HG2 VAL 70 -12.317 -2.481 -4.275 558 HG22 VAL 70 1HG2 VAL 70 -11.126 -1.780 -3.178 559 HG23 VAL 70 2HG2 VAL 70 -12.836 -1.409 -2.976 560 H GLU 71 H GLU 71 -10.864 -0.679 -1.089 561 HA GLU 71 HA GLU 71 -8.186 -1.442 -1.284 562 HB2 GLU 71 2HB GLU 71 -9.355 1.173 -0.306 563 HB3 GLU 71 1HB GLU 71 -7.637 0.928 -0.589 564 HG2 GLU 71 2HG GLU 71 -8.122 0.421 -2.922 565 HG3 GLU 71 1HG GLU 71 -9.832 0.746 -2.640 566 H ASN 72 H ASN 72 -9.933 -0.299 1.601 567 HA ASN 72 HA ASN 72 -7.816 -0.579 3.374 568 HB2 ASN 72 2HB ASN 72 -9.734 0.789 3.905 569 HB3 ASN 72 1HB ASN 72 -10.805 -0.580 3.736 570 HD21 ASN 72 1HD2 ASN 72 -11.166 -1.867 5.403 571 HD22 ASN 72 2HD2 ASN 72 -10.446 -1.652 6.948 572 H TYR 73 H TYR 73 -10.239 -2.884 2.248 573 HA TYR 73 HA TYR 73 -9.641 -4.918 4.100 574 HB2 TYR 73 2HB TYR 73 -11.702 -5.076 2.844 575 HB3 TYR 73 1HB TYR 73 -10.825 -5.084 1.317 576 HD1 TYR 73 2HD TYR 73 -11.394 -7.069 4.412 577 HD2 TYR 73 1HD TYR 73 -10.087 -7.100 0.363 578 HE1 TYR 73 2HE TYR 73 -11.247 -9.526 4.468 579 HE2 TYR 73 1HE TYR 73 -9.930 -9.536 0.425 580 HH TYR 73 HH TYR 73 -11.307 -11.379 2.897 581 H LEU 74 H LEU 74 -8.418 -4.320 0.797 582 HA LEU 74 HA LEU 74 -6.646 -6.508 0.862 583 HB2 LEU 74 2HB LEU 74 -6.700 -4.076 -0.893 584 HB3 LEU 74 1HB LEU 74 -5.332 -5.161 -0.937 585 HG LEU 74 HG LEU 74 -6.690 -5.739 -2.755 586 HD11 LEU 74 1HD1 LEU 74 -5.807 -7.647 -1.606 587 HD12 LEU 74 2HD1 LEU 74 -7.354 -8.014 -2.363 588 HD13 LEU 74 3HD1 LEU 74 -7.269 -7.768 -0.624 589 HD21 LEU 74 3HD2 LEU 74 -9.058 -5.844 -0.895 590 HD22 LEU 74 1HD2 LEU 74 -9.074 -6.345 -2.587 591 HD23 LEU 74 2HD2 LEU 74 -8.765 -4.661 -2.169 592 H ILE 75 H ILE 75 -6.217 -3.183 1.857 593 HA ILE 75 HA ILE 75 -3.497 -3.250 2.436 594 HB ILE 75 HB ILE 75 -5.750 -1.797 3.872 595 HG12 ILE 75 2HG1 ILE 75 -3.655 -0.798 1.916 596 HG13 ILE 75 1HG1 ILE 75 -5.324 -1.182 1.503 597 HG21 ILE 75 1HG2 ILE 75 -3.905 -2.041 5.445 598 HG22 ILE 75 2HG2 ILE 75 -4.050 -0.365 4.915 599 HG23 ILE 75 3HG2 ILE 75 -2.781 -1.393 4.251 600 HD11 ILE 75 3HD1 ILE 75 -4.980 1.195 1.714 601 HD12 ILE 75 1HD1 ILE 75 -4.368 0.989 3.353 602 HD13 ILE 75 2HD1 ILE 75 -6.056 0.630 2.993 603 H GLN 76 H GLN 76 -6.232 -4.181 4.557 604 HA GLN 76 HA GLN 76 -4.614 -5.127 6.660 605 HB2 GLN 76 2HB GLN 76 -7.480 -5.449 5.994 606 HB3 GLN 76 1HB GLN 76 -6.787 -6.680 7.033 607 HG2 GLN 76 2HG GLN 76 -7.763 -5.006 8.412 608 HG3 GLN 76 1HG GLN 76 -6.017 -4.880 8.557 609 HE21 GLN 76 1HE2 GLN 76 -4.983 -3.092 7.666 610 HE22 GLN 76 2HE2 GLN 76 -5.870 -1.672 7.240 611 H MET 77 H MET 77 -6.121 -6.888 4.005 612 HA MET 77 HA MET 77 -5.181 -9.349 4.898 613 HB2 MET 77 2HB MET 77 -6.248 -8.521 2.234 614 HB3 MET 77 1HB MET 77 -5.669 -10.158 2.524 615 HG2 MET 77 2HG MET 77 -7.855 -8.748 4.035 616 HG3 MET 77 1HG MET 77 -8.055 -10.058 2.869 617 HE1 MET 77 3HE MET 77 -9.286 -10.134 5.852 618 HE2 MET 77 1HE MET 77 -8.916 -11.797 6.317 619 HE3 MET 77 2HE MET 77 -9.495 -11.445 4.688 620 H ALA 78 H ALA 78 -3.665 -6.982 2.824 621 HA ALA 78 HA ALA 78 -1.484 -8.582 1.999 622 HB1 ALA 78 1HB ALA 78 -1.580 -5.588 2.421 623 HB2 ALA 78 2HB ALA 78 -2.031 -6.421 0.938 624 HB3 ALA 78 3HB ALA 78 -0.355 -6.460 1.499 625 H ARG 79 H ARG 79 -2.096 -6.588 4.855 626 HA ARG 79 HA ARG 79 0.455 -6.822 6.041 627 HB2 ARG 79 2HB ARG 79 -2.287 -6.279 7.122 628 HB3 ARG 79 1HB ARG 79 -0.900 -6.409 8.177 629 HG2 ARG 79 2HG ARG 79 -1.173 -4.427 5.928 630 HG3 ARG 79 1HG ARG 79 -1.537 -4.084 7.620 631 HD2 ARG 79 2HD ARG 79 0.847 -4.808 8.119 632 HD3 ARG 79 1HD ARG 79 1.126 -4.741 6.380 633 HE ARG 79 HE ARG 79 0.081 -2.352 6.811 634 HH11 ARG 79 1HH1 ARG 79 2.773 -4.024 8.411 635 HH12 ARG 79 2HH1 ARG 79 3.436 -2.607 9.079 636 HH21 ARG 79 1HH2 ARG 79 0.985 -0.421 7.730 637 HH22 ARG 79 2HH2 ARG 79 2.402 -0.491 8.664 638 H TYR 80 H TYR 80 -2.438 -8.792 6.150 639 HA TYR 80 HA TYR 80 -1.424 -10.516 8.212 640 HB2 TYR 80 2HB TYR 80 -3.813 -10.900 6.401 641 HB3 TYR 80 1HB TYR 80 -3.432 -11.890 7.799 642 HD1 TYR 80 1HD TYR 80 -2.642 -9.655 9.691 643 HD2 TYR 80 2HD TYR 80 -5.909 -10.047 7.002 644 HE1 TYR 80 1HE TYR 80 -3.975 -8.163 11.097 645 HE2 TYR 80 2HE TYR 80 -7.251 -8.543 8.407 646 HH TYR 80 HH TYR 80 -5.823 -6.727 10.936 647 H GLY 81 H GLY 81 -0.946 -10.337 4.878 648 HA2 GLY 81 2HA GLY 81 0.299 -11.682 3.474 649 HA3 GLY 81 1HA GLY 81 0.664 -12.693 4.867 650 H GLN 82 H GLN 82 -2.485 -11.863 3.552 651 HA GLN 82 HA GLN 82 -3.087 -14.716 3.331 652 HB2 GLN 82 2HB GLN 82 -4.908 -12.315 3.117 653 HB3 GLN 82 1HB GLN 82 -5.430 -13.991 3.094 654 HG2 GLN 82 2HG GLN 82 -4.009 -12.683 5.401 655 HG3 GLN 82 1HG GLN 82 -5.754 -12.838 5.273 656 HE21 GLN 82 1HE2 GLN 82 -5.853 -14.023 7.134 657 HE22 GLN 82 2HE2 GLN 82 -5.337 -15.659 7.262 658 H LEU 83 H LEU 83 -1.751 -12.544 1.428 659 HA LEU 83 HA LEU 83 -3.101 -13.487 -0.997 660 HB2 LEU 83 2HB LEU 83 -1.610 -10.922 -0.496 661 HB3 LEU 83 1HB LEU 83 -1.950 -11.503 -2.106 662 HG LEU 83 HG LEU 83 -3.521 -9.832 -1.576 663 HD11 LEU 83 1HD1 LEU 83 -4.877 -12.490 -1.365 664 HD12 LEU 83 2HD1 LEU 83 -4.354 -11.697 -2.843 665 HD13 LEU 83 3HD1 LEU 83 -5.628 -10.972 -1.861 666 HD21 LEU 83 3HD2 LEU 83 -3.412 -9.830 0.842 667 HD22 LEU 83 1HD2 LEU 83 -4.230 -11.392 0.892 668 HD23 LEU 83 2HD2 LEU 83 -5.086 -9.967 0.304 669 H SER 84 H SER 84 -2.012 -15.246 -1.511 670 HA SER 84 HA SER 84 0.861 -15.249 -1.545 671 HB2 SER 84 2HB SER 84 -1.099 -17.244 -2.678 672 HB3 SER 84 1HB SER 84 0.605 -17.528 -2.313 673 HG SER 84 HG SER 84 0.197 -17.346 -0.173 674 H GLU 85 H GLU 85 -1.836 -14.968 -3.774 675 HA GLU 85 HA GLU 85 -0.012 -14.517 -6.025 676 HB2 GLU 85 2HB GLU 85 -2.793 -15.606 -5.845 677 HB3 GLU 85 1HB GLU 85 -2.116 -15.018 -7.338 678 HG2 GLU 85 2HG GLU 85 -0.923 -17.227 -5.675 679 HG3 GLU 85 1HG GLU 85 -1.965 -17.483 -7.079 680 H LYS 86 H LYS 86 -1.094 -13.113 -7.695 681 HA LYS 86 HA LYS 86 -1.897 -10.606 -6.653 682 HB2 LYS 86 2HB LYS 86 -1.904 -11.796 -9.410 683 HB3 LYS 86 1HB LYS 86 -2.532 -10.202 -9.090 684 HG2 LYS 86 2HG LYS 86 -0.308 -9.480 -8.378 685 HG3 LYS 86 1HG LYS 86 0.315 -11.104 -8.729 686 HD2 LYS 86 2HD LYS 86 -0.289 -10.941 -11.015 687 HD3 LYS 86 1HD LYS 86 -1.200 -9.467 -10.740 688 HE2 LYS 86 2HE LYS 86 0.879 -8.288 -10.241 689 HE3 LYS 86 1HE LYS 86 1.788 -9.774 -10.551 690 HZ1 LYS 86 3HZ LYS 86 1.636 -8.190 -12.484 691 HZ2 LYS 86 1HZ LYS 86 -0.012 -8.540 -12.576 692 HZ3 LYS 86 2HZ LYS 86 1.127 -9.755 -12.804 693 H VAL 87 H VAL 87 -3.876 -9.673 -6.915 694 HA VAL 87 HA VAL 87 -6.157 -11.470 -7.162 695 HB VAL 87 HB VAL 87 -6.034 -8.545 -6.371 696 HG11 VAL 87 1HG1 VAL 87 -8.206 -9.177 -7.272 697 HG12 VAL 87 2HG1 VAL 87 -8.312 -8.871 -5.540 698 HG13 VAL 87 3HG1 VAL 87 -8.290 -10.529 -6.141 699 HG21 VAL 87 3HG2 VAL 87 -6.306 -10.979 -4.623 700 HG22 VAL 87 1HG2 VAL 87 -6.423 -9.308 -4.076 701 HG23 VAL 87 2HG2 VAL 87 -4.899 -9.924 -4.729 702 H SER 88 H SER 88 -6.841 -11.689 -9.179 703 HA SER 88 HA SER 88 -6.312 -9.713 -11.199 704 HB2 SER 88 2HB SER 88 -7.970 -12.241 -11.351 705 HB3 SER 88 1HB SER 88 -7.234 -11.364 -12.697 706 HG SER 88 HG SER 88 -6.143 -13.122 -10.896 707 H GLU 89 H GLU 89 -8.563 -9.439 -12.735 708 HA GLU 89 HA GLU 89 -10.086 -7.686 -11.171 709 HB2 GLU 89 2HB GLU 89 -10.692 -8.816 -13.883 710 HB3 GLU 89 1HB GLU 89 -11.603 -7.501 -13.136 711 HG2 GLU 89 2HG GLU 89 -9.341 -6.314 -13.029 712 HG3 GLU 89 1HG GLU 89 -8.794 -7.559 -14.151 713 H GLN 90 H GLN 90 -10.818 -10.946 -12.322 714 HA GLN 90 HA GLN 90 -13.380 -11.029 -11.236 715 HB2 GLN 90 2HB GLN 90 -13.060 -13.591 -11.268 716 HB3 GLN 90 1HB GLN 90 -13.012 -12.724 -12.786 717 HG2 GLN 90 2HG GLN 90 -11.325 -14.439 -12.774 718 HG3 GLN 90 1HG GLN 90 -10.544 -12.869 -12.765 719 HE21 GLN 90 1HE2 GLN 90 -11.211 -15.748 -10.974 720 HE22 GLN 90 2HE2 GLN 90 -10.003 -15.501 -9.764 721 H GLY 91 H GLY 91 -10.383 -11.270 -9.646 722 HA2 GLY 91 2HA GLY 91 -11.476 -12.394 -7.222 723 HA3 GLY 91 1HA GLY 91 -9.840 -11.785 -7.457 724 H LEU 92 H LEU 92 -10.682 -9.245 -8.518 725 HA LEU 92 HA LEU 92 -11.052 -7.841 -6.073 726 HB2 LEU 92 2HB LEU 92 -9.760 -6.898 -7.943 727 HB3 LEU 92 1HB LEU 92 -11.215 -6.841 -8.919 728 HG LEU 92 HG LEU 92 -12.182 -5.224 -7.282 729 HD11 LEU 92 1HD1 LEU 92 -9.406 -5.233 -6.120 730 HD12 LEU 92 2HD1 LEU 92 -10.884 -5.783 -5.326 731 HD13 LEU 92 3HD1 LEU 92 -10.684 -4.083 -5.726 732 HD21 LEU 92 3HD2 LEU 92 -10.864 -3.316 -8.046 733 HD22 LEU 92 1HD2 LEU 92 -11.160 -4.460 -9.351 734 HD23 LEU 92 2HD2 LEU 92 -9.580 -4.405 -8.565 735 H ILE 93 H ILE 93 -13.072 -8.556 -8.865 736 HA ILE 93 HA ILE 93 -15.404 -7.223 -8.039 737 HB ILE 93 HB ILE 93 -15.093 -9.708 -9.772 738 HG12 ILE 93 2HG1 ILE 93 -15.497 -6.816 -10.581 739 HG13 ILE 93 1HG1 ILE 93 -13.939 -7.627 -10.549 740 HG21 ILE 93 1HG2 ILE 93 -17.386 -9.560 -8.934 741 HG22 ILE 93 2HG2 ILE 93 -17.335 -9.192 -10.659 742 HG23 ILE 93 3HG2 ILE 93 -17.495 -7.886 -9.485 743 HD11 ILE 93 3HD1 ILE 93 -14.702 -9.173 -12.260 744 HD12 ILE 93 1HD1 ILE 93 -14.844 -7.504 -12.799 745 HD13 ILE 93 2HD1 ILE 93 -16.286 -8.388 -12.285 746 H GLU 94 H GLU 94 -14.063 -10.328 -7.266 747 HA GLU 94 HA GLU 94 -16.205 -11.572 -5.958 748 HB2 GLU 94 2HB GLU 94 -13.947 -12.535 -6.619 749 HB3 GLU 94 1HB GLU 94 -13.301 -11.754 -5.186 750 HG2 GLU 94 2HG GLU 94 -13.715 -13.742 -4.252 751 HG3 GLU 94 1HG GLU 94 -15.360 -13.109 -4.116 752 H ILE 95 H ILE 95 -13.545 -9.554 -4.785 753 HA ILE 95 HA ILE 95 -14.420 -9.506 -2.082 754 HB ILE 95 HB ILE 95 -12.467 -7.621 -3.476 755 HG12 ILE 95 2HG1 ILE 95 -11.938 -10.120 -1.847 756 HG13 ILE 95 1HG1 ILE 95 -11.849 -10.034 -3.599 757 HG21 ILE 95 1HG2 ILE 95 -13.356 -6.744 -1.352 758 HG22 ILE 95 2HG2 ILE 95 -11.637 -7.119 -1.258 759 HG23 ILE 95 3HG2 ILE 95 -12.820 -8.215 -0.538 760 HD11 ILE 95 3HD1 ILE 95 -10.012 -8.441 -3.428 761 HD12 ILE 95 1HD1 ILE 95 -9.643 -9.942 -2.579 762 HD13 ILE 95 2HD1 ILE 95 -10.117 -8.506 -1.670 763 H LEU 96 H LEU 96 -14.846 -7.434 -4.849 764 HA LEU 96 HA LEU 96 -16.007 -5.224 -3.643 765 HB2 LEU 96 2HB LEU 96 -15.298 -5.278 -5.979 766 HB3 LEU 96 1HB LEU 96 -16.597 -6.392 -6.355 767 HG LEU 96 HG LEU 96 -18.221 -4.622 -5.693 768 HD11 LEU 96 1HD1 LEU 96 -17.444 -2.307 -5.555 769 HD12 LEU 96 2HD1 LEU 96 -15.772 -2.866 -5.614 770 HD13 LEU 96 3HD1 LEU 96 -16.791 -3.288 -4.245 771 HD21 LEU 96 3HD2 LEU 96 -17.969 -3.342 -7.759 772 HD22 LEU 96 1HD2 LEU 96 -17.664 -5.056 -8.028 773 HD23 LEU 96 2HD2 LEU 96 -16.312 -3.926 -7.925 774 H LYS 97 H LYS 97 -17.658 -8.074 -5.057 775 HA LYS 97 HA LYS 97 -20.237 -7.227 -4.265 776 HB2 LYS 97 2HB LYS 97 -21.024 -9.492 -4.751 777 HB3 LYS 97 1HB LYS 97 -19.912 -8.966 -6.002 778 HG2 LYS 97 2HG LYS 97 -18.134 -10.302 -4.948 779 HG3 LYS 97 1HG LYS 97 -19.289 -10.847 -3.734 780 HD2 LYS 97 2HD LYS 97 -20.660 -11.839 -5.544 781 HD3 LYS 97 1HD LYS 97 -19.434 -11.336 -6.710 782 HE2 LYS 97 2HE LYS 97 -17.763 -12.694 -5.469 783 HE3 LYS 97 1HE LYS 97 -19.059 -13.247 -4.417 784 HZ1 LYS 97 3HZ LYS 97 -18.999 -13.671 -7.348 785 HZ2 LYS 97 1HZ LYS 97 -20.107 -14.342 -6.273 786 HZ3 LYS 97 2HZ LYS 97 -18.481 -14.798 -6.230 787 H LYS 98 H LYS 98 -17.750 -8.972 -2.612 788 HA LYS 98 HA LYS 98 -19.172 -9.985 -0.441 789 HB2 LYS 98 2HB LYS 98 -16.956 -10.699 -1.100 790 HB3 LYS 98 1HB LYS 98 -16.315 -9.102 -0.772 791 HG2 LYS 98 2HG LYS 98 -16.885 -9.434 1.610 792 HG3 LYS 98 1HG LYS 98 -17.365 -11.089 1.213 793 HD2 LYS 98 2HD LYS 98 -14.682 -9.911 0.607 794 HD3 LYS 98 1HD LYS 98 -15.005 -10.862 2.064 795 HE2 LYS 98 2HE LYS 98 -15.697 -12.738 0.513 796 HE3 LYS 98 1HE LYS 98 -15.119 -11.748 -0.823 797 HZ1 LYS 98 3HZ LYS 98 -13.489 -13.403 0.046 798 HZ2 LYS 98 1HZ LYS 98 -13.427 -12.523 1.475 799 HZ3 LYS 98 2HZ LYS 98 -12.899 -11.834 0.025 800 H VAL 99 H VAL 99 -17.308 -6.948 -0.817 801 HA VAL 99 HA VAL 99 -18.159 -6.032 1.770 802 HB VAL 99 HB VAL 99 -16.929 -3.981 1.366 803 HG11 VAL 99 1HG1 VAL 99 -15.627 -5.871 2.093 804 HG12 VAL 99 2HG1 VAL 99 -14.679 -4.855 1.002 805 HG13 VAL 99 3HG1 VAL 99 -15.375 -6.367 0.420 806 HG21 VAL 99 3HG2 VAL 99 -17.512 -3.605 -0.966 807 HG22 VAL 99 1HG2 VAL 99 -16.504 -4.969 -1.449 808 HG23 VAL 99 2HG2 VAL 99 -15.767 -3.529 -0.732 809 H SER 100 H SER 100 -19.306 -5.685 -1.447 810 HA SER 100 HA SER 100 -20.856 -3.376 -1.144 811 HB2 SER 100 2HB SER 100 -20.298 -4.488 -3.331 812 HB3 SER 100 1HB SER 100 -21.428 -5.772 -2.918 813 HG SER 100 HG SER 100 -22.543 -4.396 -4.167 814 H GLN 101 H GLN 101 -21.513 -6.787 -0.523 815 HA GLN 101 HA GLN 101 -24.156 -6.109 0.423 816 HB2 GLN 101 2HB GLN 101 -23.910 -8.124 -0.933 817 HB3 GLN 101 1HB GLN 101 -22.797 -8.798 0.249 818 HG2 GLN 101 2HG GLN 101 -24.539 -8.957 1.890 819 HG3 GLN 101 1HG GLN 101 -25.661 -8.100 0.834 820 HE21 GLN 101 1HE2 GLN 101 -26.532 -9.152 -0.897 821 HE22 GLN 101 2HE2 GLN 101 -26.508 -10.865 -1.079 822 H GLN 102 H GLN 102 -21.129 -7.354 1.765 823 HA GLN 102 HA GLN 102 -22.245 -6.710 4.397 824 HB2 GLN 102 2HB GLN 102 -20.504 -9.107 3.740 825 HB3 GLN 102 1HB GLN 102 -20.996 -8.637 5.364 826 HG2 GLN 102 2HG GLN 102 -23.318 -9.049 4.720 827 HG3 GLN 102 1HG GLN 102 -22.774 -9.505 3.107 828 HE21 GLN 102 1HE2 GLN 102 -24.187 -11.026 5.116 829 HE22 GLN 102 2HE2 GLN 102 -23.246 -12.445 5.409 830 H THR 103 H THR 103 -19.109 -7.989 3.788 831 HA THR 103 HA THR 103 -17.404 -5.871 3.603 832 HB THR 103 HB THR 103 -17.690 -6.902 6.495 833 HG1 THR 103 1HG THR 103 -19.002 -4.963 5.461 834 HG21 THR 103 3HG2 THR 103 -15.352 -6.564 5.850 835 HG22 THR 103 1HG2 THR 103 -15.848 -5.350 7.029 836 HG23 THR 103 2HG2 THR 103 -15.723 -4.921 5.322 837 H GLU 104 H GLU 104 -17.759 -8.643 5.728 838 HA GLU 104 HA GLU 104 -17.167 -10.672 4.052 839 HB2 GLU 104 2HB GLU 104 -14.848 -9.736 3.904 840 HB3 GLU 104 1HB GLU 104 -14.676 -9.956 5.643 841 HG2 GLU 104 2HG GLU 104 -14.918 -12.337 5.421 842 HG3 GLU 104 1HG GLU 104 -15.262 -12.183 3.709 843 H LYS 105 H LYS 105 -18.822 -11.461 5.180 844 HA LYS 105 HA LYS 105 -18.204 -12.604 7.813 845 HB2 LYS 105 2HB LYS 105 -20.694 -11.115 6.982 846 HB3 LYS 105 1HB LYS 105 -20.600 -12.130 8.413 847 HG2 LYS 105 2HG LYS 105 -18.888 -9.723 7.902 848 HG3 LYS 105 1HG LYS 105 -20.381 -9.756 8.847 849 HD2 LYS 105 2HD LYS 105 -19.362 -11.397 10.374 850 HD3 LYS 105 1HD LYS 105 -17.876 -11.357 9.427 851 HE2 LYS 105 2HE LYS 105 -17.628 -10.011 11.406 852 HE3 LYS 105 1HE LYS 105 -17.624 -8.978 9.980 853 HZ1 LYS 105 3HZ LYS 105 -19.951 -8.449 10.434 854 HZ2 LYS 105 1HZ LYS 105 -18.958 -8.019 11.709 855 HZ3 LYS 105 2HZ LYS 105 -19.923 -9.388 11.833 856 H THR 106 H THR 106 -17.992 -13.513 5.371 857 HA THR 106 HA THR 106 -20.208 -14.992 4.391 858 HB THR 106 HB THR 106 -18.482 -16.071 2.908 859 HG1 THR 106 1HG THR 106 -16.805 -15.793 4.506 860 HG21 THR 106 3HG2 THR 106 -17.957 -13.996 1.677 861 HG22 THR 106 1HG2 THR 106 -18.421 -13.042 3.084 862 HG23 THR 106 2HG2 THR 106 -19.632 -13.994 2.224 863 H THR 107 H THR 107 -20.853 -16.152 6.335 864 HA THR 107 HA THR 107 -19.287 -18.194 7.512 865 HB THR 107 HB THR 107 -22.302 -18.205 7.198 866 HG1 THR 107 1HG THR 107 -20.661 -16.670 8.943 867 HG21 THR 107 3HG2 THR 107 -22.231 -19.236 9.431 868 HG22 THR 107 1HG2 THR 107 -20.475 -19.086 9.450 869 HG23 THR 107 2HG2 THR 107 -21.256 -20.158 8.289 870 H THR 108 H THR 108 -21.631 -18.011 4.925 871 HA THR 108 HA THR 108 -20.468 -20.226 3.536 872 HB THR 108 HB THR 108 -23.480 -20.024 4.045 873 HG1 THR 108 1HG THR 108 -21.454 -21.129 5.518 874 HG21 THR 108 3HG2 THR 108 -23.525 -22.304 3.100 875 HG22 THR 108 1HG2 THR 108 -21.775 -22.251 2.884 876 HG23 THR 108 2HG2 THR 108 -22.818 -21.176 1.948 877 H VAL 109 H VAL 109 -21.139 -19.977 1.237 878 HA VAL 109 HA VAL 109 -21.479 -18.850 -0.621 879 HB VAL 109 HB VAL 109 -23.010 -16.809 1.049 880 HG11 VAL 109 1HG1 VAL 109 -22.115 -15.787 -1.013 881 HG12 VAL 109 2HG1 VAL 109 -23.870 -15.927 -1.066 882 HG13 VAL 109 3HG1 VAL 109 -22.872 -17.064 -1.966 883 HG21 VAL 109 3HG2 VAL 109 -24.997 -17.836 0.041 884 HG22 VAL 109 1HG2 VAL 109 -24.054 -18.998 0.979 885 HG23 VAL 109 2HG2 VAL 109 -23.953 -18.999 -0.782 886 H LYS 110 H LYS 110 -19.557 -18.539 -1.072 887 HA LYS 110 HA LYS 110 -18.305 -15.974 -0.516 888 HB2 LYS 110 2HB LYS 110 -17.427 -17.437 1.225 889 HB3 LYS 110 1HB LYS 110 -17.057 -18.664 0.034 890 HG2 LYS 110 2HG LYS 110 -15.280 -17.324 -0.868 891 HG3 LYS 110 1HG LYS 110 -15.720 -15.981 0.176 892 HD2 LYS 110 2HD LYS 110 -13.772 -17.107 1.096 893 HD3 LYS 110 1HD LYS 110 -15.144 -17.357 2.161 894 HE2 LYS 110 2HE LYS 110 -14.220 -19.391 0.122 895 HE3 LYS 110 1HE LYS 110 -13.619 -19.358 1.769 896 HZ1 LYS 110 3HZ LYS 110 -15.968 -19.709 2.503 897 HZ2 LYS 110 1HZ LYS 110 -15.354 -20.978 1.593 898 HZ3 LYS 110 2HZ LYS 110 -16.417 -19.931 0.883 899 H PHE 111 H PHE 111 -17.054 -18.999 -1.973 900 HA PHE 111 HA PHE 111 -17.399 -17.731 -4.610 901 HB2 PHE 111 2HB PHE 111 -15.395 -18.911 -5.444 902 HB3 PHE 111 1HB PHE 111 -14.978 -17.867 -4.101 903 HD1 PHE 111 1HD PHE 111 -15.299 -21.310 -5.260 904 HD2 PHE 111 2HD PHE 111 -14.181 -18.815 -2.023 905 HE1 PHE 111 1HE PHE 111 -14.141 -23.208 -4.216 906 HE2 PHE 111 2HE PHE 111 -13.018 -20.718 -0.960 907 HZ PHE 111 HZ PHE 111 -13.003 -22.910 -2.060 908 H ASN 112 H ASN 112 -18.548 -19.717 -2.641 909 HA ASN 112 HA ASN 112 -20.222 -21.138 -4.292 910 HB2 ASN 112 2HB ASN 112 -18.121 -22.615 -4.502 911 HB3 ASN 112 1HB ASN 112 -18.219 -22.859 -2.764 912 HD21 ASN 112 1HD2 ASN 112 -19.870 -24.141 -1.933 913 HD22 ASN 112 2HD2 ASN 112 -20.845 -25.162 -2.909
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