NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
11112 | 1qxf | 5682 | cing | recoord | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1H MET 1 4.313 -6.844 -13.653 2 HA MET 1 HA MET 1 5.632 -8.804 -14.579 3 2HB MET 1 2HB MET 1 7.476 -7.364 -16.099 4 2HG MET 1 2HG MET 1 5.040 -9.000 -16.905 5 1HE MET 1 1HE MET 1 7.058 -9.957 -20.115 6 2HE MET 1 2HE MET 1 5.937 -10.516 -18.851 7 3HE MET 1 3HE MET 1 5.305 -9.717 -20.311 8 H HIS 2 H HIS 2 6.977 -5.420 -14.630 9 HA HIS 2 HA HIS 2 8.818 -6.226 -12.547 10 2HB HIS 2 2HB HIS 2 9.329 -3.570 -13.152 11 HD1 HIS 2 HD1 HIS 2 11.069 -5.748 -12.025 12 HD2 HIS 2 HD2 HIS 2 10.954 -4.871 -16.125 13 HE1 HIS 2 HE1 HIS 2 13.257 -6.624 -13.005 14 H SER 3 H SER 3 8.646 -5.632 -10.422 15 HA SER 3 HA SER 3 6.217 -4.419 -9.640 16 2HB SER 3 2HB SER 3 7.057 -6.116 -8.194 17 HG SER 3 HG SER 3 9.143 -6.311 -7.572 18 H ARG 4 H ARG 4 5.972 -2.393 -8.443 19 HA ARG 4 HA ARG 4 8.271 -0.638 -8.703 20 2HB ARG 4 2HB ARG 4 5.878 0.931 -9.027 21 2HG ARG 4 2HG ARG 4 8.357 0.266 -10.566 22 2HD ARG 4 2HD ARG 4 7.371 1.708 -12.499 23 HE ARG 4 HE ARG 4 7.371 -1.096 -12.154 24 1HH1 ARG 4 1HH1 ARG 4 5.585 1.287 -14.074 25 2HH1 ARG 4 2HH1 ARG 4 5.259 0.183 -15.368 26 2HH2 ARG 4 2HH2 ARG 4 6.064 -2.069 -15.222 27 H PHE 5 H PHE 5 7.781 1.520 -7.365 28 HA PHE 5 HA PHE 5 6.722 0.614 -4.805 29 2HB PHE 5 2HB PHE 5 8.943 1.528 -4.640 30 HD1 PHE 5 HD1 PHE 5 10.509 1.813 -6.330 31 HD2 PHE 5 HD2 PHE 5 7.252 4.522 -6.077 32 HE1 PHE 5 HE1 PHE 5 11.539 3.220 -8.135 33 HE2 PHE 5 HE2 PHE 5 8.282 5.928 -7.882 34 HZ PHE 5 HZ PHE 5 10.414 5.262 -8.890 35 H VAL 6 H VAL 6 5.091 1.731 -3.676 36 HA VAL 6 HA VAL 6 3.969 4.089 -4.955 37 HB VAL 6 HB VAL 6 1.903 3.234 -5.379 38 1HG1 VAL 6 1HG1 VAL 6 3.606 0.738 -5.687 39 2HG1 VAL 6 2HG1 VAL 6 2.102 1.115 -6.561 40 3HG1 VAL 6 3HG1 VAL 6 3.560 2.100 -6.832 41 1HG2 VAL 6 1HG2 VAL 6 1.131 0.991 -4.351 42 2HG2 VAL 6 2HG2 VAL 6 2.490 1.205 -3.222 43 3HG2 VAL 6 3HG2 VAL 6 1.195 2.424 -3.297 44 H LYS 7 H LYS 7 3.300 5.577 -3.456 45 HA LYS 7 HA LYS 7 3.571 4.748 -0.674 46 2HB LYS 7 2HB LYS 7 3.865 7.301 -2.183 47 2HG LYS 7 2HG LYS 7 2.832 7.052 0.667 48 2HD LYS 7 2HD LYS 7 3.459 9.532 0.834 49 2HE LYS 7 2HE LYS 7 5.799 7.580 0.602 50 1HZ LYS 7 1HZ LYS 7 6.866 9.467 1.212 51 2HZ LYS 7 2HZ LYS 7 5.508 10.267 1.620 52 H VAL 8 H VAL 8 1.848 4.456 0.647 53 HA VAL 8 HA VAL 8 -0.708 5.578 -0.265 54 HB VAL 8 HB VAL 8 -1.703 3.459 0.756 55 1HG1 VAL 8 1HG1 VAL 8 -0.141 2.750 -1.700 56 2HG1 VAL 8 2HG1 VAL 8 -1.867 2.516 -1.335 57 3HG1 VAL 8 3HG1 VAL 8 -1.260 4.131 -1.771 58 1HG2 VAL 8 1HG2 VAL 8 0.818 2.911 1.578 59 2HG2 VAL 8 2HG2 VAL 8 -0.429 1.667 1.311 60 3HG2 VAL 8 3HG2 VAL 8 0.783 1.998 0.050 61 H LYS 9 H LYS 9 -2.341 5.624 1.628 62 HA LYS 9 HA LYS 9 -0.940 6.007 4.166 63 2HB LYS 9 2HB LYS 9 -2.596 8.041 2.679 64 2HG LYS 9 2HG LYS 9 -1.890 8.104 5.649 65 2HD LYS 9 2HD LYS 9 -4.014 9.878 4.814 66 2HE LYS 9 2HE LYS 9 -1.654 9.885 6.454 67 1HZ LYS 9 1HZ LYS 9 -0.753 12.027 5.900 68 2HZ LYS 9 2HZ LYS 9 -0.680 11.138 4.537 69 H CYS 10 H CYS 10 -2.072 5.278 5.945 70 HA CYS 10 HA CYS 10 -4.283 3.609 5.405 71 2HB CYS 10 2HB CYS 10 -3.610 4.425 8.206 72 HG CYS 10 HG CYS 10 -5.580 2.752 7.786 73 HA PRO 11 HA PRO 11 -7.288 6.761 5.889 74 2HB PRO 11 2HB PRO 11 -8.634 5.834 4.267 75 2HG PRO 11 2HG PRO 11 -8.169 3.630 3.774 76 2HD PRO 11 2HD PRO 11 -5.970 3.520 4.434 77 H ASP 12 H ASP 12 -7.406 3.837 7.790 78 HA ASP 12 HA ASP 12 -9.067 5.125 9.720 79 2HB ASP 12 2HB ASP 12 -8.651 2.979 11.019 80 HD2 ASP 12 HD2 ASP 12 -9.491 2.973 7.398 81 H CYS 13 H CYS 13 -5.643 4.024 9.312 82 HA CYS 13 HA CYS 13 -4.873 4.833 11.922 83 2HB CYS 13 2HB CYS 13 -2.705 4.603 9.962 84 HG CYS 13 HG CYS 13 -1.499 4.017 11.904 85 H GLU 14 H GLU 14 -4.952 6.224 8.622 86 HA GLU 14 HA GLU 14 -4.836 8.292 7.942 87 2HB GLU 14 2HB GLU 14 -4.887 10.198 9.476 88 2HG GLU 14 2HG GLU 14 -6.442 8.248 11.119 89 HE2 GLU 14 HE2 GLU 14 -8.188 10.470 8.775 90 H HIS 15 H HIS 15 -2.430 6.441 9.063 91 HA HIS 15 HA HIS 15 -0.357 8.476 8.896 92 2HB HIS 15 2HB HIS 15 0.006 5.543 9.526 93 HD1 HIS 15 HD1 HIS 15 1.290 8.918 10.843 94 HD2 HIS 15 HD2 HIS 15 2.713 5.254 9.377 95 HE1 HIS 15 HE1 HIS 15 3.835 9.019 11.013 96 H GLU 16 H GLU 16 1.440 8.240 7.395 97 HA GLU 16 HA GLU 16 0.510 7.091 4.931 98 2HB GLU 16 2HB GLU 16 2.607 8.235 4.013 99 2HG GLU 16 2HG GLU 16 0.486 9.788 5.552 100 HE2 GLU 16 HE2 GLU 16 2.723 10.955 6.138 101 H GLN 17 H GLN 17 1.466 5.346 3.839 102 HA GLN 17 HA GLN 17 3.851 4.230 5.029 103 2HB GLN 17 2HB GLN 17 2.260 1.967 4.468 104 2HG GLN 17 2HG GLN 17 2.196 1.821 7.035 105 1HE2 GLN 17 1HE2 GLN 17 3.241 0.170 5.570 106 2HE2 GLN 17 2HE2 GLN 17 4.968 0.040 5.613 107 H VAL 18 H VAL 18 4.845 2.512 3.576 108 HA VAL 18 HA VAL 18 4.048 2.992 0.787 109 HB VAL 18 HB VAL 18 6.814 2.682 1.970 110 1HG1 VAL 18 1HG1 VAL 18 5.812 2.677 -0.866 111 2HG1 VAL 18 2HG1 VAL 18 7.416 3.351 -0.492 112 3HG1 VAL 18 3HG1 VAL 18 7.049 1.655 -0.095 113 1HG2 VAL 18 1HG2 VAL 18 5.731 4.900 2.326 114 2HG2 VAL 18 2HG2 VAL 18 7.182 4.977 1.297 115 3HG2 VAL 18 3HG2 VAL 18 5.563 5.063 0.561 116 H ILE 19 H ILE 19 3.267 1.187 -0.158 117 HA ILE 19 HA ILE 19 4.439 -1.362 0.698 118 HB ILE 19 HB ILE 19 2.220 -2.386 0.521 119 2HG1 ILE 19 2HG1 ILE 19 1.491 -0.080 -0.826 120 1HG2 ILE 19 1HG2 ILE 19 2.573 -2.096 2.727 121 2HG2 ILE 19 2HG2 ILE 19 2.967 -0.369 2.553 122 3HG2 ILE 19 3HG2 ILE 19 1.267 -0.898 2.568 123 1HD1 ILE 19 1HD1 ILE 19 -0.739 -1.105 -0.884 124 2HD1 ILE 19 2HD1 ILE 19 0.497 -2.379 -1.008 125 3HD1 ILE 19 3HD1 ILE 19 -0.347 -2.103 0.536 126 H PHE 20 H PHE 20 3.957 -3.132 -0.996 127 HA PHE 20 HA PHE 20 4.711 -2.018 -3.539 128 2HB PHE 20 2HB PHE 20 5.058 -4.433 -4.056 129 HD1 PHE 20 HD1 PHE 20 7.140 -2.871 -3.414 130 HD2 PHE 20 HD2 PHE 20 5.208 -5.573 -0.774 131 HE1 PHE 20 HE1 PHE 20 9.210 -2.969 -1.999 132 HE2 PHE 20 HE2 PHE 20 7.278 -5.671 0.642 133 HZ PHE 20 HZ PHE 20 9.255 -4.367 0.013 134 H ASP 21 H ASP 21 3.605 -2.421 -5.559 135 HA ASP 21 HA ASP 21 0.779 -2.356 -5.199 136 2HB ASP 21 2HB ASP 21 1.736 -0.865 -6.849 137 HD2 ASP 21 HD2 ASP 21 3.847 -0.647 -7.745 138 H HIS 22 H HIS 22 -0.434 -4.252 -5.168 139 HA HIS 22 HA HIS 22 -1.142 -6.277 -5.632 140 2HB HIS 22 2HB HIS 22 -0.479 -7.384 -7.756 141 HD1 HIS 22 HD1 HIS 22 -0.554 -3.534 -7.743 142 HD2 HIS 22 HD2 HIS 22 -2.700 -6.824 -9.218 143 HE1 HIS 22 HE1 HIS 22 -2.522 -2.575 -9.053 144 HA PRO 23 HA PRO 23 2.628 -7.899 -3.653 145 2HB PRO 23 2HB PRO 23 2.642 -6.692 -1.692 146 2HG PRO 23 2HG PRO 23 0.754 -5.419 -1.331 147 2HD PRO 23 2HD PRO 23 0.023 -5.151 -3.494 148 H SER 24 H SER 24 2.584 -9.841 -1.782 149 HA SER 24 HA SER 24 0.735 -11.703 -3.059 150 2HB SER 24 2HB SER 24 2.859 -13.112 -1.735 151 HG SER 24 HG SER 24 2.804 -12.660 -4.564 152 H THR 25 H THR 25 2.229 -10.499 -0.039 153 HA THR 25 HA THR 25 0.405 -12.216 1.502 154 HB THR 25 HB THR 25 2.155 -11.168 3.324 155 HG1 THR 25 HG1 THR 25 3.833 -10.313 2.166 156 1HG2 THR 25 1HG2 THR 25 3.316 -13.227 3.261 157 2HG2 THR 25 2HG2 THR 25 1.787 -13.669 2.464 158 3HG2 THR 25 3HG2 THR 25 3.235 -13.326 1.486 159 H ILE 26 H ILE 26 -0.609 -11.244 3.446 160 HA ILE 26 HA ILE 26 -1.993 -8.915 2.683 161 HB ILE 26 HB ILE 26 -1.826 -10.307 5.359 162 2HG1 ILE 26 2HG1 ILE 26 -2.511 -11.733 3.388 163 1HG2 ILE 26 1HG2 ILE 26 -3.113 -8.685 6.149 164 2HG2 ILE 26 2HG2 ILE 26 -3.117 -7.873 4.565 165 3HG2 ILE 26 3HG2 ILE 26 -4.350 -9.100 4.939 166 1HD1 ILE 26 1HD1 ILE 26 -3.299 -12.596 5.417 167 2HD1 ILE 26 2HD1 ILE 26 -4.262 -11.143 5.779 168 3HD1 ILE 26 3HD1 ILE 26 -4.827 -12.303 4.552 169 H VAL 27 H VAL 27 -1.794 -6.765 3.317 170 HA VAL 27 HA VAL 27 0.778 -6.142 4.565 171 HB VAL 27 HB VAL 27 -1.110 -4.347 3.033 172 1HG1 VAL 27 1HG1 VAL 27 1.836 -3.869 3.312 173 2HG1 VAL 27 2HG1 VAL 27 0.503 -2.707 3.113 174 3HG1 VAL 27 3HG1 VAL 27 0.772 -3.494 4.688 175 1HG2 VAL 27 1HG2 VAL 27 0.729 -4.639 1.221 176 2HG2 VAL 27 2HG2 VAL 27 1.128 -6.137 2.096 177 3HG2 VAL 27 3HG2 VAL 27 -0.500 -5.912 1.412 178 H LYS 28 H LYS 28 0.725 -5.782 6.719 179 HA LYS 28 HA LYS 28 -1.779 -4.755 7.834 180 2HB LYS 28 2HB LYS 28 -0.351 -5.498 9.999 181 2HG LYS 28 2HG LYS 28 -2.245 -6.930 8.152 182 2HD LYS 28 2HD LYS 28 -2.082 -8.669 10.291 183 2HE LYS 28 2HE LYS 28 -0.330 -9.765 8.362 184 1HZ LYS 28 1HZ LYS 28 -2.601 -10.628 7.521 185 2HZ LYS 28 2HZ LYS 28 -2.166 -11.018 9.041 186 H CYS 29 H CYS 29 -1.850 -2.826 8.986 187 HA CYS 29 HA CYS 29 -0.046 -0.870 8.280 188 2HB CYS 29 2HB CYS 29 -1.629 -0.659 10.831 189 HG CYS 29 HG CYS 29 -2.199 1.765 10.135 190 H ILE 30 H ILE 30 2.027 -0.458 8.975 191 HA ILE 30 HA ILE 30 3.225 -2.095 10.922 192 HB ILE 30 HB ILE 30 5.174 -0.665 10.585 193 2HG1 ILE 30 2HG1 ILE 30 3.416 1.381 10.152 194 1HG2 ILE 30 1HG2 ILE 30 5.356 -0.988 8.086 195 2HG2 ILE 30 2HG2 ILE 30 4.914 -2.432 9.028 196 3HG2 ILE 30 3HG2 ILE 30 3.667 -1.547 8.117 197 1HD1 ILE 30 1HD1 ILE 30 6.126 1.575 8.862 198 2HD1 ILE 30 2HD1 ILE 30 5.329 2.688 10.000 199 3HD1 ILE 30 3HD1 ILE 30 6.060 1.178 10.596 200 H ILE 31 H ILE 31 1.091 0.544 11.203 201 HA ILE 31 HA ILE 31 2.257 1.695 13.546 202 HB ILE 31 HB ILE 31 -0.535 1.976 12.432 203 2HG1 ILE 31 2HG1 ILE 31 0.511 4.154 11.496 204 1HG2 ILE 31 1HG2 ILE 31 -0.168 4.298 13.583 205 2HG2 ILE 31 2HG2 ILE 31 -0.670 2.885 14.542 206 3HG2 ILE 31 3HG2 ILE 31 1.031 3.407 14.551 207 1HD1 ILE 31 1HD1 ILE 31 2.891 3.825 10.788 208 2HD1 ILE 31 2HD1 ILE 31 2.724 3.965 12.555 209 3HD1 ILE 31 3HD1 ILE 31 2.968 2.368 11.808 210 H CYS 32 H CYS 32 -1.054 0.273 13.221 211 HA CYS 32 HA CYS 32 -0.679 -0.830 15.884 212 2HB CYS 32 2HB CYS 32 -3.153 -0.333 14.207 213 HG CYS 32 HG CYS 32 -3.385 -1.058 17.336 214 H GLY 33 H GLY 33 -1.744 -1.708 12.526 215 1HA GLY 33 1HA GLY 33 -0.614 -3.806 11.748 216 2HA GLY 33 2HA GLY 33 -1.253 -4.545 13.202 217 H ARG 34 H ARG 34 -3.006 -2.042 11.332 218 HA ARG 34 HA ARG 34 -5.117 -3.953 10.982 219 2HB ARG 34 2HB ARG 34 -5.135 -1.284 11.613 220 2HG ARG 34 2HG ARG 34 -6.076 -1.327 8.727 221 2HD ARG 34 2HD ARG 34 -6.293 0.978 8.980 222 HE ARG 34 HE ARG 34 -7.393 -0.328 11.078 223 1HH1 ARG 34 1HH1 ARG 34 -5.550 2.697 11.020 224 2HH1 ARG 34 2HH1 ARG 34 -6.351 3.356 12.407 225 2HH2 ARG 34 2HH2 ARG 34 -8.054 2.071 13.500 226 H THR 35 H THR 35 -6.054 -4.478 8.887 227 HA THR 35 HA THR 35 -4.175 -4.773 6.822 228 HB THR 35 HB THR 35 -7.206 -4.874 6.514 229 HG1 THR 35 HG1 THR 35 -6.966 -6.125 8.349 230 1HG2 THR 35 1HG2 THR 35 -5.650 -5.526 4.582 231 2HG2 THR 35 2HG2 THR 35 -4.997 -6.803 5.637 232 3HG2 THR 35 3HG2 THR 35 -6.709 -6.838 5.150 233 H VAL 36 H VAL 36 -3.447 -3.449 5.282 234 HA VAL 36 HA VAL 36 -5.024 -1.012 4.821 235 HB VAL 36 HB VAL 36 -2.722 -0.178 4.000 236 1HG1 VAL 36 1HG1 VAL 36 -2.827 1.032 5.871 237 2HG1 VAL 36 2HG1 VAL 36 -4.059 -0.098 6.482 238 3HG1 VAL 36 3HG1 VAL 36 -2.340 -0.366 6.859 239 1HG2 VAL 36 1HG2 VAL 36 -0.775 -1.232 4.735 240 2HG2 VAL 36 2HG2 VAL 36 -1.641 -2.217 5.940 241 3HG2 VAL 36 3HG2 VAL 36 -1.791 -2.596 4.207 242 H ALA 37 H ALA 37 -3.562 -3.920 3.479 243 HA ALA 37 HA ALA 37 -4.859 -3.340 0.959 244 1HB ALA 37 1HB ALA 37 -2.463 -4.207 -0.013 245 2HB ALA 37 2HB ALA 37 -2.917 -2.490 0.117 246 3HB ALA 37 3HB ALA 37 -1.917 -3.245 1.381 247 H GLU 38 H GLU 38 -5.569 -5.226 -0.042 248 HA GLU 38 HA GLU 38 -4.716 -7.677 1.291 249 2HB GLU 38 2HB GLU 38 -7.308 -8.041 0.112 250 2HG GLU 38 2HG GLU 38 -7.164 -7.615 3.043 251 HE2 GLU 38 HE2 GLU 38 -8.313 -11.166 1.616 252 HA PRO 39 HA PRO 39 -3.667 -8.940 -2.738 253 2HB PRO 39 2HB PRO 39 -2.027 -10.346 -1.942 254 2HG PRO 39 2HG PRO 39 -2.261 -10.942 0.274 255 2HD PRO 39 2HD PRO 39 -3.512 -9.173 1.042 256 H THR 40 H THR 40 -6.384 -10.089 -1.075 257 HA THR 40 HA THR 40 -8.171 -11.291 -1.760 258 HB THR 40 HB THR 40 -8.477 -8.879 -2.503 259 HG1 THR 40 HG1 THR 40 -10.058 -10.713 -2.791 260 1HG2 THR 40 1HG2 THR 40 -8.531 -8.717 -5.113 261 2HG2 THR 40 2HG2 THR 40 -6.944 -8.550 -4.322 262 3HG2 THR 40 3HG2 THR 40 -7.402 -10.092 -5.086 263 H GLY 41 H GLY 41 -9.155 -11.774 -4.441 264 1HA GLY 41 1HA GLY 41 -7.613 -14.164 -4.975 265 2HA GLY 41 2HA GLY 41 -9.134 -13.681 -5.700 266 H GLY 42 H GLY 42 -5.589 -13.350 -5.822 267 1HA GLY 42 1HA GLY 42 -4.216 -12.849 -7.534 268 2HA GLY 42 2HA GLY 42 -5.582 -12.983 -8.625 269 H LYS 43 H LYS 43 -3.253 -10.944 -8.233 270 HA LYS 43 HA LYS 43 -2.945 -8.780 -8.527 271 2HB LYS 43 2HB LYS 43 -5.206 -7.521 -9.286 272 2HG LYS 43 2HG LYS 43 -2.944 -8.613 -10.526 273 2HD LYS 43 2HD LYS 43 -4.421 -10.608 -11.129 274 2HE LYS 43 2HE LYS 43 -6.275 -8.571 -11.782 275 1HZ LYS 43 1HZ LYS 43 -6.051 -8.245 -13.978 276 2HZ LYS 43 2HZ LYS 43 -4.767 -9.241 -14.071 277 H GLY 44 H GLY 44 -2.350 -8.033 -6.528 278 1HA GLY 44 1HA GLY 44 -4.127 -7.835 -4.335 279 2HA GLY 44 2HA GLY 44 -2.529 -7.129 -4.475 280 H ASN 45 H ASN 45 -5.192 -6.040 -3.430 281 HA ASN 45 HA ASN 45 -5.216 -3.688 -5.155 282 2HB ASN 45 2HB ASN 45 -7.635 -4.164 -3.477 283 1HD2 ASN 45 1HD2 ASN 45 -8.672 -5.004 -6.317 284 2HD2 ASN 45 2HD2 ASN 45 -8.906 -3.492 -7.129 285 H ILE 46 H ILE 46 -5.034 -1.684 -4.025 286 HA ILE 46 HA ILE 46 -4.329 -1.912 -1.233 287 HB ILE 46 HB ILE 46 -4.237 0.377 -3.199 288 2HG1 ILE 46 2HG1 ILE 46 -2.386 -1.798 -2.466 289 1HG2 ILE 46 1HG2 ILE 46 -2.598 0.729 -0.847 290 2HG2 ILE 46 2HG2 ILE 46 -3.830 1.805 -1.549 291 3HG2 ILE 46 3HG2 ILE 46 -4.310 0.535 -0.397 292 1HD1 ILE 46 1HD1 ILE 46 -3.054 -0.004 -4.772 293 2HD1 ILE 46 2HD1 ILE 46 -1.382 -0.608 -4.682 294 3HD1 ILE 46 3HD1 ILE 46 -2.741 -1.756 -4.749 295 H LYS 47 H LYS 47 -5.830 -1.788 0.339 296 HA LYS 47 HA LYS 47 -8.365 -0.521 -0.309 297 2HB LYS 47 2HB LYS 47 -9.299 -1.787 1.384 298 2HG LYS 47 2HG LYS 47 -6.963 -3.643 1.032 299 2HD LYS 47 2HD LYS 47 -9.850 -3.776 1.435 300 2HE LYS 47 2HE LYS 47 -9.655 -5.980 -0.233 301 1HZ LYS 47 1HZ LYS 47 -10.782 -3.284 -0.729 302 2HZ LYS 47 2HZ LYS 47 -11.046 -4.528 -1.746 303 H ALA 48 H ALA 48 -6.147 1.250 -0.204 304 HA ALA 48 HA ALA 48 -7.019 2.882 2.040 305 1HB ALA 48 1HB ALA 48 -4.095 2.224 1.490 306 2HB ALA 48 2HB ALA 48 -4.709 3.344 2.730 307 3HB ALA 48 3HB ALA 48 -5.050 1.602 2.857 308 H GLU 49 H GLU 49 -6.219 5.188 1.757 309 HA GLU 49 HA GLU 49 -6.659 5.903 -0.935 310 2HB GLU 49 2HB GLU 49 -5.938 7.520 1.544 311 2HG GLU 49 2HG GLU 49 -6.569 8.395 -1.304 312 HE2 GLU 49 HE2 GLU 49 -7.845 10.166 -1.424 313 H ILE 50 H ILE 50 -5.136 5.877 -2.525 314 HA ILE 50 HA ILE 50 -2.356 5.792 -1.794 315 HB ILE 50 HB ILE 50 -3.731 5.743 -4.483 316 2HG1 ILE 50 2HG1 ILE 50 -4.464 3.798 -3.476 317 1HG2 ILE 50 1HG2 ILE 50 -1.695 5.180 -5.473 318 2HG2 ILE 50 2HG2 ILE 50 -1.277 6.504 -4.361 319 3HG2 ILE 50 3HG2 ILE 50 -0.922 4.818 -3.912 320 1HD1 ILE 50 1HD1 ILE 50 -2.921 3.389 -5.526 321 2HD1 ILE 50 2HD1 ILE 50 -1.715 2.835 -4.341 322 3HD1 ILE 50 3HD1 ILE 50 -3.277 1.994 -4.480 323 H ILE 51 H ILE 51 -0.832 7.406 -2.025 324 HA ILE 51 HA ILE 51 -1.949 10.044 -2.565 325 HB ILE 51 HB ILE 51 0.338 8.964 -1.002 326 2HG1 ILE 51 2HG1 ILE 51 -1.889 10.954 -0.585 327 1HG2 ILE 51 1HG2 ILE 51 0.363 11.591 -2.462 328 2HG2 ILE 51 2HG2 ILE 51 1.160 11.425 -0.879 329 3HG2 ILE 51 3HG2 ILE 51 1.666 10.400 -2.243 330 1HD1 ILE 51 1HD1 ILE 51 -2.767 9.314 0.720 331 2HD1 ILE 51 2HD1 ILE 51 -1.588 8.221 -0.045 332 3HD1 ILE 51 3HD1 ILE 51 -1.201 9.003 1.507 333 H GLU 52 H GLU 52 1.111 8.221 -3.315 334 HA GLU 52 HA GLU 52 0.863 8.513 -6.035 335 2HB GLU 52 2HB GLU 52 3.069 10.323 -5.657 336 2HG GLU 52 2HG GLU 52 0.443 11.344 -6.654 337 HE2 GLU 52 HE2 GLU 52 1.005 12.063 -8.945 338 H TYR 53 H TYR 53 3.534 8.664 -6.888 339 HA TYR 53 HA TYR 53 4.519 6.178 -5.895 340 2HB TYR 53 2HB TYR 53 6.457 7.086 -7.525 341 HD1 TYR 53 HD1 TYR 53 6.504 5.413 -9.120 342 HD2 TYR 53 HD2 TYR 53 2.781 7.352 -8.290 343 HE1 TYR 53 HE1 TYR 53 5.354 3.965 -10.864 344 HE2 TYR 53 HE2 TYR 53 1.643 5.898 -10.038 345 HH TYR 53 HH TYR 53 3.438 3.338 -11.699 346 H VAL 54 H VAL 54 6.519 5.765 -4.823 347 HA VAL 54 HA VAL 54 7.392 8.041 -3.209 348 HB VAL 54 HB VAL 54 8.527 5.526 -2.431 349 1HG1 VAL 54 1HG1 VAL 54 6.649 7.559 -1.232 350 2HG1 VAL 54 2HG1 VAL 54 7.029 6.046 -0.375 351 3HG1 VAL 54 3HG1 VAL 54 8.333 7.182 -0.795 352 1HG2 VAL 54 1HG2 VAL 54 5.542 5.512 -2.948 353 2HG2 VAL 54 2HG2 VAL 54 6.766 4.343 -3.502 354 3HG2 VAL 54 3HG2 VAL 54 6.330 4.426 -1.778 355 H ASP 55 H ASP 55 9.753 8.275 -2.788 356 HA ASP 55 HA ASP 55 11.126 7.965 -5.279 357 2HB ASP 55 2HB ASP 55 12.815 8.971 -3.148 358 HD2 ASP 55 HD2 ASP 55 12.404 11.603 -3.520 359 H GLN 56 H GLN 56 10.664 6.198 -2.373 360 HA GLN 56 HA GLN 56 13.294 5.194 -2.097 361 2HB GLN 56 2HB GLN 56 11.731 3.379 -0.767 362 2HG GLN 56 2HG GLN 56 13.329 5.629 -0.121 363 1HE2 GLN 56 1HE2 GLN 56 11.216 4.772 2.429 364 2HE2 GLN 56 2HE2 GLN 56 10.429 6.297 2.664 365 H ILE 57 H ILE 57 13.937 4.350 -4.141 366 HA ILE 57 HA ILE 57 12.264 2.421 -5.447 367 HB ILE 57 HB ILE 57 15.130 3.143 -6.045 368 2HG1 ILE 57 2HG1 ILE 57 13.811 5.199 -5.890 369 1HG2 ILE 57 1HG2 ILE 57 14.149 2.630 -8.423 370 2HG2 ILE 57 2HG2 ILE 57 14.672 1.308 -7.352 371 3HG2 ILE 57 3HG2 ILE 57 12.943 1.700 -7.500 372 1HD1 ILE 57 1HD1 ILE 57 13.825 5.026 -8.815 373 2HD1 ILE 57 2HD1 ILE 57 14.853 6.002 -7.738 374 3HD1 ILE 57 3HD1 ILE 57 15.301 4.320 -8.111 375 H GLU 58 H GLU 58 13.411 0.258 -6.153 376 HA GLU 58 HA GLU 58 14.102 -1.001 -3.669 377 2HB GLU 58 2HB GLU 58 13.804 -2.281 -6.418 378 2HG GLU 58 2HG GLU 58 12.842 -3.826 -4.169 379 HE2 GLU 58 HE2 GLU 58 13.107 -5.818 -4.895 Start of MODEL 2 1 1H MET 1 1H MET 1 14.122 -3.343 -13.610 2 HA MET 1 HA MET 1 13.522 -4.272 -11.632 3 2HB MET 1 2HB MET 1 11.875 -2.184 -10.701 4 2HG MET 1 2HG MET 1 14.550 -3.014 -10.410 5 1HE MET 1 1HE MET 1 17.278 -1.516 -10.641 6 2HE MET 1 2HE MET 1 16.347 -2.861 -11.343 7 3HE MET 1 3HE MET 1 17.029 -1.602 -12.401 8 H HIS 2 H HIS 2 12.137 -5.756 -10.743 9 HA HIS 2 HA HIS 2 9.542 -6.009 -11.939 10 2HB HIS 2 2HB HIS 2 10.842 -7.663 -9.759 11 HD1 HIS 2 HD1 HIS 2 8.302 -7.977 -8.848 12 HD2 HIS 2 HD2 HIS 2 9.108 -9.456 -12.689 13 HE1 HIS 2 HE1 HIS 2 6.396 -9.578 -9.411 14 H SER 3 H SER 3 7.540 -5.658 -10.954 15 HA SER 3 HA SER 3 6.096 -4.788 -9.590 16 2HB SER 3 2HB SER 3 8.121 -5.386 -7.387 17 HG SER 3 HG SER 3 5.377 -4.587 -7.392 18 H ARG 4 H ARG 4 5.510 -2.657 -9.144 19 HA ARG 4 HA ARG 4 7.734 -0.812 -9.019 20 2HB ARG 4 2HB ARG 4 5.112 0.466 -9.208 21 2HG ARG 4 2HG ARG 4 7.621 0.236 -10.888 22 2HD ARG 4 2HD ARG 4 5.782 2.173 -12.006 23 HE ARG 4 HE ARG 4 7.602 0.151 -12.946 24 1HH1 ARG 4 1HH1 ARG 4 4.720 1.940 -13.969 25 2HH1 ARG 4 2HH1 ARG 4 5.081 1.802 -15.657 26 2HH2 ARG 4 2HH2 ARG 4 7.061 0.639 -16.342 27 H PHE 5 H PHE 5 7.148 1.313 -7.663 28 HA PHE 5 HA PHE 5 6.231 0.346 -5.060 29 2HB PHE 5 2HB PHE 5 8.439 1.276 -4.921 30 HD1 PHE 5 HD1 PHE 5 6.680 4.197 -6.440 31 HD2 PHE 5 HD2 PHE 5 10.032 1.597 -6.566 32 HE1 PHE 5 HE1 PHE 5 7.686 5.582 -8.277 33 HE2 PHE 5 HE2 PHE 5 11.037 2.981 -8.402 34 HZ PHE 5 HZ PHE 5 9.853 4.957 -9.236 35 H VAL 6 H VAL 6 4.696 1.530 -3.821 36 HA VAL 6 HA VAL 6 3.482 3.840 -5.097 37 HB VAL 6 HB VAL 6 1.976 2.455 -6.041 38 1HG1 VAL 6 1HG1 VAL 6 2.403 0.453 -3.796 39 2HG1 VAL 6 2HG1 VAL 6 1.366 0.210 -5.223 40 3HG1 VAL 6 3HG1 VAL 6 3.126 0.388 -5.421 41 1HG2 VAL 6 1HG2 VAL 6 -0.027 2.615 -4.925 42 2HG2 VAL 6 2HG2 VAL 6 0.665 2.092 -3.371 43 3HG2 VAL 6 3HG2 VAL 6 0.954 3.745 -3.962 44 H LYS 7 H LYS 7 3.107 5.388 -3.587 45 HA LYS 7 HA LYS 7 3.425 4.594 -0.809 46 2HB LYS 7 2HB LYS 7 3.739 7.111 -2.378 47 2HG LYS 7 2HG LYS 7 2.976 6.956 0.571 48 2HD LYS 7 2HD LYS 7 3.498 9.518 0.395 49 2HE LYS 7 2HE LYS 7 5.803 7.511 0.422 50 1HZ LYS 7 1HZ LYS 7 6.398 9.445 2.152 51 2HZ LYS 7 2HZ LYS 7 6.890 9.495 0.601 52 H VAL 8 H VAL 8 1.728 4.274 0.524 53 HA VAL 8 HA VAL 8 -0.807 5.537 -0.255 54 HB VAL 8 HB VAL 8 -1.866 3.485 0.781 55 1HG1 VAL 8 1HG1 VAL 8 -0.313 2.652 -1.646 56 2HG1 VAL 8 2HG1 VAL 8 -2.045 2.466 -1.279 57 3HG1 VAL 8 3HG1 VAL 8 -1.402 4.056 -1.757 58 1HG2 VAL 8 1HG2 VAL 8 0.708 2.048 0.191 59 2HG2 VAL 8 2HG2 VAL 8 0.458 2.804 1.782 60 3HG2 VAL 8 3HG2 VAL 8 -0.665 1.549 1.207 61 H LYS 9 H LYS 9 -2.355 5.639 1.716 62 HA LYS 9 HA LYS 9 -0.819 6.012 4.178 63 2HB LYS 9 2HB LYS 9 -2.514 8.065 2.760 64 2HG LYS 9 2HG LYS 9 -1.641 8.123 5.686 65 2HD LYS 9 2HD LYS 9 -3.732 9.982 4.920 66 2HE LYS 9 2HE LYS 9 -1.145 9.935 6.340 67 1HZ LYS 9 1HZ LYS 9 -0.244 11.759 5.424 68 2HZ LYS 9 2HZ LYS 9 -1.430 11.862 4.313 69 H CYS 10 H CYS 10 -1.847 5.260 5.994 70 HA CYS 10 HA CYS 10 -4.143 3.672 5.584 71 2HB CYS 10 2HB CYS 10 -3.196 4.457 8.326 72 HG CYS 10 HG CYS 10 -5.362 2.966 8.056 73 HA PRO 11 HA PRO 11 -7.014 6.905 6.299 74 2HB PRO 11 2HB PRO 11 -8.498 6.028 4.773 75 2HG PRO 11 2HG PRO 11 -8.135 3.813 4.240 76 2HD PRO 11 2HD PRO 11 -5.898 3.633 4.741 77 H ASP 12 H ASP 12 -7.117 3.966 8.185 78 HA ASP 12 HA ASP 12 -8.599 5.278 10.231 79 2HB ASP 12 2HB ASP 12 -7.664 3.023 11.438 80 HD2 ASP 12 HD2 ASP 12 -10.730 2.066 9.103 81 H CYS 13 H CYS 13 -5.219 4.200 9.553 82 HA CYS 13 HA CYS 13 -4.274 5.006 12.121 83 2HB CYS 13 2HB CYS 13 -2.227 4.687 10.056 84 HG CYS 13 HG CYS 13 -2.438 4.602 12.958 85 H GLU 14 H GLU 14 -4.728 6.384 8.883 86 HA GLU 14 HA GLU 14 -4.525 8.401 8.105 87 2HB GLU 14 2HB GLU 14 -4.117 10.329 9.826 88 2HG GLU 14 2HG GLU 14 -6.509 8.676 10.614 89 HE2 GLU 14 HE2 GLU 14 -7.202 11.058 8.560 90 H HIS 15 H HIS 15 -2.089 6.554 9.113 91 HA HIS 15 HA HIS 15 -0.011 8.577 8.833 92 2HB HIS 15 2HB HIS 15 0.227 5.652 9.593 93 HD1 HIS 15 HD1 HIS 15 2.597 4.918 9.411 94 HD2 HIS 15 HD2 HIS 15 2.290 9.043 10.112 95 HE1 HIS 15 HE1 HIS 15 4.987 5.806 9.511 96 H GLU 16 H GLU 16 1.710 8.306 7.255 97 HA GLU 16 HA GLU 16 0.664 7.116 4.857 98 2HB GLU 16 2HB GLU 16 2.718 8.236 3.823 99 2HG GLU 16 2HG GLU 16 0.644 9.792 5.412 100 HE2 GLU 16 HE2 GLU 16 1.297 11.104 2.575 101 H GLN 17 H GLN 17 1.567 5.349 3.754 102 HA GLN 17 HA GLN 17 4.001 4.246 4.854 103 2HB GLN 17 2HB GLN 17 2.391 1.975 4.414 104 2HG GLN 17 2HG GLN 17 2.373 1.999 7.036 105 1HE2 GLN 17 1HE2 GLN 17 3.135 0.122 5.705 106 2HE2 GLN 17 2HE2 GLN 17 4.839 -0.187 5.637 107 H VAL 18 H VAL 18 4.945 2.528 3.386 108 HA VAL 18 HA VAL 18 4.008 2.941 0.630 109 HB VAL 18 HB VAL 18 6.839 2.628 1.650 110 1HG1 VAL 18 1HG1 VAL 18 7.287 3.363 -0.819 111 2HG1 VAL 18 2HG1 VAL 18 6.910 1.660 -0.462 112 3HG1 VAL 18 3HG1 VAL 18 5.648 2.733 -1.114 113 1HG2 VAL 18 1HG2 VAL 18 7.088 4.976 0.757 114 2HG2 VAL 18 2HG2 VAL 18 5.315 5.036 0.611 115 3HG2 VAL 18 3HG2 VAL 18 6.070 4.823 2.209 116 H ILE 19 H ILE 19 3.128 1.110 -0.166 117 HA ILE 19 HA ILE 19 4.366 -1.415 0.680 118 HB ILE 19 HB ILE 19 2.137 -2.440 0.573 119 2HG1 ILE 19 2HG1 ILE 19 1.368 -0.205 -0.821 120 1HG2 ILE 19 1HG2 ILE 19 1.873 -0.198 2.535 121 2HG2 ILE 19 2HG2 ILE 19 1.618 -1.947 2.747 122 3HG2 ILE 19 3HG2 ILE 19 3.271 -1.292 2.659 123 1HD1 ILE 19 1HD1 ILE 19 -0.301 -1.673 -1.234 124 2HD1 ILE 19 2HD1 ILE 19 0.222 -2.660 0.152 125 3HD1 ILE 19 3HD1 ILE 19 -0.972 -1.361 0.386 126 H PHE 20 H PHE 20 3.840 -3.229 -0.955 127 HA PHE 20 HA PHE 20 4.539 -2.188 -3.542 128 2HB PHE 20 2HB PHE 20 4.860 -4.616 -4.004 129 HD1 PHE 20 HD1 PHE 20 4.854 -4.800 -0.341 130 HD2 PHE 20 HD2 PHE 20 7.167 -3.939 -3.793 131 HE1 PHE 20 HE1 PHE 20 6.948 -4.884 1.041 132 HE2 PHE 20 HE2 PHE 20 9.260 -4.022 -2.412 133 HZ PHE 20 HZ PHE 20 9.126 -4.494 -0.011 134 H ASP 21 H ASP 21 3.390 -2.668 -5.531 135 HA ASP 21 HA ASP 21 0.566 -2.584 -5.098 136 2HB ASP 21 2HB ASP 21 1.586 -1.102 -6.774 137 HD2 ASP 21 HD2 ASP 21 1.707 -1.387 -9.225 138 H HIS 22 H HIS 22 -0.730 -4.428 -5.203 139 HA HIS 22 HA HIS 22 -1.423 -6.462 -5.636 140 2HB HIS 22 2HB HIS 22 0.356 -6.015 -8.012 141 HD1 HIS 22 HD1 HIS 22 -1.214 -8.912 -6.196 142 HD2 HIS 22 HD2 HIS 22 0.416 -8.069 -9.968 143 HE1 HIS 22 HE1 HIS 22 -0.902 -11.161 -7.358 144 HA PRO 23 HA PRO 23 2.273 -8.103 -3.540 145 2HB PRO 23 2HB PRO 23 2.234 -6.889 -1.584 146 2HG PRO 23 2HG PRO 23 0.342 -5.604 -1.285 147 2HD PRO 23 2HD PRO 23 -0.319 -5.340 -3.471 148 H SER 24 H SER 24 2.217 -10.057 -1.723 149 HA SER 24 HA SER 24 0.341 -11.895 -2.997 150 2HB SER 24 2HB SER 24 2.798 -12.300 -3.465 151 HG SER 24 HG SER 24 3.373 -13.604 -1.156 152 H THR 25 H THR 25 1.875 -10.718 0.012 153 HA THR 25 HA THR 25 0.080 -12.455 1.563 154 HB THR 25 HB THR 25 1.838 -11.432 3.377 155 HG1 THR 25 HG1 THR 25 2.989 -10.179 1.811 156 1HG2 THR 25 1HG2 THR 25 3.425 -13.371 2.038 157 2HG2 THR 25 2HG2 THR 25 2.321 -13.669 3.402 158 3HG2 THR 25 3HG2 THR 25 1.741 -13.859 1.730 159 H ILE 26 H ILE 26 -0.866 -11.483 3.565 160 HA ILE 26 HA ILE 26 -2.326 -9.196 2.836 161 HB ILE 26 HB ILE 26 -1.993 -10.531 5.525 162 2HG1 ILE 26 2HG1 ILE 26 -2.754 -12.002 3.614 163 1HG2 ILE 26 1HG2 ILE 26 -3.001 -8.572 6.124 164 2HG2 ILE 26 2HG2 ILE 26 -3.758 -8.337 4.531 165 3HG2 ILE 26 3HG2 ILE 26 -4.435 -9.524 5.672 166 1HD1 ILE 26 1HD1 ILE 26 -4.866 -11.475 5.749 167 2HD1 ILE 26 2HD1 ILE 26 -4.559 -13.006 4.895 168 3HD1 ILE 26 3HD1 ILE 26 -3.360 -12.374 6.049 169 H VAL 27 H VAL 27 -2.142 -7.029 3.413 170 HA VAL 27 HA VAL 27 0.471 -6.328 4.530 171 HB VAL 27 HB VAL 27 -1.527 -4.704 2.943 172 1HG1 VAL 27 1HG1 VAL 27 -0.174 -2.880 3.115 173 2HG1 VAL 27 2HG1 VAL 27 0.263 -3.657 4.655 174 3HG1 VAL 27 3HG1 VAL 27 1.312 -3.852 3.230 175 1HG2 VAL 27 1HG2 VAL 27 0.979 -6.201 2.152 176 2HG2 VAL 27 2HG2 VAL 27 -0.653 -6.304 1.449 177 3HG2 VAL 27 3HG2 VAL 27 0.338 -4.850 1.187 178 H LYS 28 H LYS 28 0.497 -5.911 6.674 179 HA LYS 28 HA LYS 28 -1.965 -4.818 7.836 180 2HB LYS 28 2HB LYS 28 -0.569 -5.637 9.986 181 2HG LYS 28 2HG LYS 28 -2.521 -6.983 8.137 182 2HD LYS 28 2HD LYS 28 -1.578 -8.432 10.625 183 2HE LYS 28 2HE LYS 28 -3.112 -9.120 8.091 184 1HZ LYS 28 1HZ LYS 28 -2.878 -11.399 8.626 185 2HZ LYS 28 2HZ LYS 28 -1.351 -10.839 8.694 186 H CYS 29 H CYS 29 -1.921 -2.884 8.977 187 HA CYS 29 HA CYS 29 -0.057 -1.014 8.247 188 2HB CYS 29 2HB CYS 29 -1.556 -0.806 10.856 189 HG CYS 29 HG CYS 29 0.136 0.935 8.881 190 H ILE 30 H ILE 30 2.061 -0.702 8.853 191 HA ILE 30 HA ILE 30 3.276 -2.415 10.717 192 HB ILE 30 HB ILE 30 5.258 -1.019 10.338 193 2HG1 ILE 30 2HG1 ILE 30 3.529 1.061 9.956 194 1HG2 ILE 30 1HG2 ILE 30 3.635 -1.946 7.971 195 2HG2 ILE 30 2HG2 ILE 30 5.291 -1.316 7.798 196 3HG2 ILE 30 3HG2 ILE 30 4.988 -2.760 8.792 197 1HD1 ILE 30 1HD1 ILE 30 5.534 2.068 10.239 198 2HD1 ILE 30 2HD1 ILE 30 6.373 0.553 9.828 199 3HD1 ILE 30 3HD1 ILE 30 5.933 1.704 8.544 200 H ILE 31 H ILE 31 1.267 0.305 11.141 201 HA ILE 31 HA ILE 31 2.573 1.323 13.476 202 HB ILE 31 HB ILE 31 -0.218 1.818 12.441 203 2HG1 ILE 31 2HG1 ILE 31 0.951 3.956 11.552 204 1HG2 ILE 31 1HG2 ILE 31 0.186 4.033 13.661 205 2HG2 ILE 31 2HG2 ILE 31 -0.149 2.592 14.651 206 3HG2 ILE 31 3HG2 ILE 31 1.519 3.192 14.488 207 1HD1 ILE 31 1HD1 ILE 31 3.284 1.991 11.699 208 2HD1 ILE 31 2HD1 ILE 31 3.281 3.518 10.784 209 3HD1 ILE 31 3HD1 ILE 31 3.172 3.545 12.561 210 H CYS 32 H CYS 32 -0.839 0.159 13.220 211 HA CYS 32 HA CYS 32 -0.488 -1.028 15.842 212 2HB CYS 32 2HB CYS 32 -2.925 -0.344 14.186 213 HG CYS 32 HG CYS 32 -4.595 -1.433 15.609 214 H GLY 33 H GLY 33 -1.695 -1.828 12.506 215 1HA GLY 33 1HA GLY 33 -0.639 -3.964 11.684 216 2HA GLY 33 2HA GLY 33 -1.297 -4.687 13.138 217 H ARG 34 H ARG 34 -2.948 -2.086 11.308 218 HA ARG 34 HA ARG 34 -5.153 -3.890 10.967 219 2HB ARG 34 2HB ARG 34 -5.001 -1.203 11.586 220 2HG ARG 34 2HG ARG 34 -6.035 -1.306 8.725 221 2HD ARG 34 2HD ARG 34 -6.241 1.022 8.909 222 HE ARG 34 HE ARG 34 -6.604 0.803 11.790 223 1HH1 ARG 34 1HH1 ARG 34 -7.937 -0.231 8.674 224 2HH1 ARG 34 2HH1 ARG 34 -9.531 -0.492 9.301 225 2HH2 ARG 34 2HH2 ARG 34 -9.959 -0.079 11.622 226 H THR 35 H THR 35 -6.095 -4.417 8.894 227 HA THR 35 HA THR 35 -4.260 -4.745 6.801 228 HB THR 35 HB THR 35 -7.304 -4.772 6.581 229 HG1 THR 35 HG1 THR 35 -6.983 -6.075 8.373 230 1HG2 THR 35 1HG2 THR 35 -4.982 -5.984 5.137 231 2HG2 THR 35 2HG2 THR 35 -6.301 -7.115 5.527 232 3HG2 THR 35 3HG2 THR 35 -6.633 -5.663 4.553 233 H VAL 36 H VAL 36 -3.519 -3.439 5.251 234 HA VAL 36 HA VAL 36 -5.050 -0.971 4.801 235 HB VAL 36 HB VAL 36 -2.757 -0.133 4.017 236 1HG1 VAL 36 1HG1 VAL 36 -2.223 -0.319 6.799 237 2HG1 VAL 36 2HG1 VAL 36 -2.990 1.019 5.911 238 3HG1 VAL 36 3HG1 VAL 36 -3.992 -0.276 6.609 239 1HG2 VAL 36 1HG2 VAL 36 -0.823 -1.255 4.543 240 2HG2 VAL 36 2HG2 VAL 36 -1.571 -2.143 5.893 241 3HG2 VAL 36 3HG2 VAL 36 -1.896 -2.636 4.214 242 H ALA 37 H ALA 37 -3.991 -3.986 3.523 243 HA ALA 37 HA ALA 37 -5.158 -3.372 0.998 244 1HB ALA 37 1HB ALA 37 -2.179 -3.990 1.040 245 2HB ALA 37 2HB ALA 37 -3.194 -3.656 -0.384 246 3HB ALA 37 3HB ALA 37 -2.855 -2.362 0.791 247 H GLU 38 H GLU 38 -5.708 -5.292 -0.128 248 HA GLU 38 HA GLU 38 -4.921 -7.719 1.286 249 2HB GLU 38 2HB GLU 38 -7.474 -8.053 -0.035 250 2HG GLU 38 2HG GLU 38 -7.088 -7.812 2.958 251 HE2 GLU 38 HE2 GLU 38 -7.734 -10.895 1.790 252 HA PRO 39 HA PRO 39 -3.680 -8.999 -2.681 253 2HB PRO 39 2HB PRO 39 -2.054 -10.374 -1.802 254 2HG PRO 39 2HG PRO 39 -2.376 -10.952 0.408 255 2HD PRO 39 2HD PRO 39 -3.684 -9.195 1.105 256 H THR 40 H THR 40 -6.456 -10.153 -1.131 257 HA THR 40 HA THR 40 -8.225 -11.328 -1.872 258 HB THR 40 HB THR 40 -9.245 -10.202 -3.859 259 HG1 THR 40 HG1 THR 40 -7.230 -10.129 -5.097 260 1HG2 THR 40 1HG2 THR 40 -9.174 -7.902 -3.098 261 2HG2 THR 40 2HG2 THR 40 -9.015 -8.900 -1.633 262 3HG2 THR 40 3HG2 THR 40 -7.576 -8.134 -2.348 263 H GLY 41 H GLY 41 -9.095 -12.086 -4.464 264 1HA GLY 41 1HA GLY 41 -7.040 -14.108 -5.132 265 2HA GLY 41 2HA GLY 41 -8.757 -14.445 -5.057 266 H GLY 42 H GLY 42 -6.728 -11.796 -6.519 267 1HA GLY 42 1HA GLY 42 -7.354 -12.567 -9.190 268 2HA GLY 42 2HA GLY 42 -8.364 -11.235 -8.665 269 H LYS 43 H LYS 43 -6.837 -9.604 -7.134 270 HA LYS 43 HA LYS 43 -4.196 -9.270 -8.050 271 2HB LYS 43 2HB LYS 43 -4.962 -8.575 -10.144 272 2HG LYS 43 2HG LYS 43 -6.803 -6.467 -9.707 273 2HD LYS 43 2HD LYS 43 -8.353 -8.658 -10.455 274 2HE LYS 43 2HE LYS 43 -6.646 -7.577 -12.630 275 1HZ LYS 43 1HZ LYS 43 -9.522 -7.103 -12.166 276 2HZ LYS 43 2HZ LYS 43 -8.742 -7.233 -13.588 277 H GLY 44 H GLY 44 -3.407 -8.717 -6.084 278 1HA GLY 44 1HA GLY 44 -4.621 -7.740 -3.919 279 2HA GLY 44 2HA GLY 44 -2.980 -7.308 -4.355 280 H ASN 45 H ASN 45 -5.671 -5.911 -3.257 281 HA ASN 45 HA ASN 45 -5.285 -3.558 -4.936 282 2HB ASN 45 2HB ASN 45 -7.861 -3.932 -3.407 283 1HD2 ASN 45 1HD2 ASN 45 -8.877 -4.088 -6.330 284 2HD2 ASN 45 2HD2 ASN 45 -8.880 -2.442 -6.869 285 H ILE 46 H ILE 46 -5.150 -1.534 -3.757 286 HA ILE 46 HA ILE 46 -4.495 -1.869 -0.965 287 HB ILE 46 HB ILE 46 -4.289 0.437 -2.897 288 2HG1 ILE 46 2HG1 ILE 46 -2.545 -1.776 -2.112 289 1HG2 ILE 46 1HG2 ILE 46 -2.788 0.813 -0.464 290 2HG2 ILE 46 2HG2 ILE 46 -3.985 1.879 -1.240 291 3HG2 ILE 46 3HG2 ILE 46 -4.520 0.619 -0.101 292 1HD1 ILE 46 1HD1 ILE 46 -3.300 -0.452 -4.434 293 2HD1 ILE 46 2HD1 ILE 46 -1.660 0.181 -4.145 294 3HD1 ILE 46 3HD1 ILE 46 -1.924 -1.574 -4.295 295 H LYS 47 H LYS 47 -5.933 -1.628 0.653 296 HA LYS 47 HA LYS 47 -8.472 -0.363 -0.004 297 2HB LYS 47 2HB LYS 47 -9.410 -1.599 1.715 298 2HG LYS 47 2HG LYS 47 -7.194 -3.564 1.428 299 2HD LYS 47 2HD LYS 47 -9.938 -3.653 1.866 300 2HE LYS 47 2HE LYS 47 -9.918 -5.122 -0.658 301 1HZ LYS 47 1HZ LYS 47 -11.981 -4.635 0.295 302 2HZ LYS 47 2HZ LYS 47 -11.611 -3.090 0.649 303 H ALA 48 H ALA 48 -6.284 1.411 0.055 304 HA ALA 48 HA ALA 48 -7.101 3.045 2.316 305 1HB ALA 48 1HB ALA 48 -4.539 3.574 2.569 306 2HB ALA 48 2HB ALA 48 -5.219 2.129 3.355 307 3HB ALA 48 3HB ALA 48 -4.324 1.972 1.824 308 H GLU 49 H GLU 49 -6.239 5.351 2.015 309 HA GLU 49 HA GLU 49 -6.782 6.072 -0.659 310 2HB GLU 49 2HB GLU 49 -5.883 7.719 1.744 311 2HG GLU 49 2HG GLU 49 -6.936 8.553 -0.998 312 HE2 GLU 49 HE2 GLU 49 -6.484 10.411 2.349 313 H ILE 50 H ILE 50 -5.305 5.901 -2.288 314 HA ILE 50 HA ILE 50 -2.504 5.849 -1.655 315 HB ILE 50 HB ILE 50 -3.964 5.705 -4.296 316 2HG1 ILE 50 2HG1 ILE 50 -4.697 3.798 -3.251 317 1HG2 ILE 50 1HG2 ILE 50 -1.531 6.441 -4.337 318 2HG2 ILE 50 2HG2 ILE 50 -1.134 4.819 -3.720 319 3HG2 ILE 50 3HG2 ILE 50 -1.948 4.999 -5.293 320 1HD1 ILE 50 1HD1 ILE 50 -1.899 2.986 -4.167 321 2HD1 ILE 50 2HD1 ILE 50 -3.282 1.890 -3.935 322 3HD1 ILE 50 3HD1 ILE 50 -3.328 3.121 -5.220 323 H ILE 51 H ILE 51 -0.945 7.405 -2.166 324 HA ILE 51 HA ILE 51 -2.079 10.046 -2.677 325 HB ILE 51 HB ILE 51 0.364 9.006 -1.313 326 2HG1 ILE 51 2HG1 ILE 51 -1.863 10.936 -0.654 327 1HG2 ILE 51 1HG2 ILE 51 1.397 11.206 -1.317 328 2HG2 ILE 51 2HG2 ILE 51 1.225 10.597 -2.981 329 3HG2 ILE 51 3HG2 ILE 51 0.105 11.837 -2.366 330 1HD1 ILE 51 1HD1 ILE 51 -0.882 8.242 0.291 331 2HD1 ILE 51 2HD1 ILE 51 -1.675 9.328 1.458 332 3HD1 ILE 51 3HD1 ILE 51 -2.547 8.798 0.000 333 H GLU 52 H GLU 52 0.716 7.955 -3.690 334 HA GLU 52 HA GLU 52 0.313 8.200 -6.345 335 2HB GLU 52 2HB GLU 52 2.537 10.029 -6.261 336 2HG GLU 52 2HG GLU 52 -0.132 11.047 -7.091 337 HE2 GLU 52 HE2 GLU 52 1.030 11.952 -9.909 338 H TYR 53 H TYR 53 2.969 8.400 -7.376 339 HA TYR 53 HA TYR 53 4.023 5.930 -6.396 340 2HB TYR 53 2HB TYR 53 5.836 6.779 -8.178 341 HD1 TYR 53 HD1 TYR 53 2.091 6.891 -8.493 342 HD2 TYR 53 HD2 TYR 53 5.779 5.279 -9.943 343 HE1 TYR 53 HE1 TYR 53 0.814 5.426 -10.132 344 HE2 TYR 53 HE2 TYR 53 4.490 3.818 -11.577 345 HH TYR 53 HH TYR 53 2.455 3.655 -12.623 346 H VAL 54 H VAL 54 5.978 5.548 -5.307 347 HA VAL 54 HA VAL 54 6.906 7.813 -3.764 348 HB VAL 54 HB VAL 54 8.205 5.204 -3.419 349 1HG1 VAL 54 1HG1 VAL 54 8.403 7.114 -1.847 350 2HG1 VAL 54 2HG1 VAL 54 6.661 6.983 -1.502 351 3HG1 VAL 54 3HG1 VAL 54 7.756 5.647 -1.072 352 1HG2 VAL 54 1HG2 VAL 54 6.048 4.375 -2.199 353 2HG2 VAL 54 2HG2 VAL 54 5.208 5.459 -3.334 354 3HG2 VAL 54 3HG2 VAL 54 6.218 4.130 -3.954 355 H ASP 55 H ASP 55 9.467 7.713 -3.352 356 HA ASP 55 HA ASP 55 10.578 7.883 -6.025 357 2HB ASP 55 2HB ASP 55 12.296 8.837 -3.845 358 HD2 ASP 55 HD2 ASP 55 10.628 11.341 -4.691 359 H GLN 56 H GLN 56 10.503 5.970 -3.145 360 HA GLN 56 HA GLN 56 13.190 5.085 -3.221 361 2HB GLN 56 2HB GLN 56 11.982 3.174 -1.749 362 2HG GLN 56 2HG GLN 56 11.836 5.310 0.022 363 1HE2 GLN 56 1HE2 GLN 56 14.720 4.503 -1.871 364 2HE2 GLN 56 2HE2 GLN 56 15.511 3.528 -0.678 365 H ILE 57 H ILE 57 13.681 4.281 -5.302 366 HA ILE 57 HA ILE 57 11.935 2.422 -6.577 367 HB ILE 57 HB ILE 57 14.802 3.089 -7.237 368 2HG1 ILE 57 2HG1 ILE 57 13.355 5.125 -6.965 369 1HG2 ILE 57 1HG2 ILE 57 13.771 2.635 -9.599 370 2HG2 ILE 57 2HG2 ILE 57 14.276 1.279 -8.561 371 3HG2 ILE 57 3HG2 ILE 57 12.555 1.719 -8.677 372 1HD1 ILE 57 1HD1 ILE 57 14.477 6.127 -8.687 373 2HD1 ILE 57 2HD1 ILE 57 15.216 4.524 -8.910 374 3HD1 ILE 57 3HD1 ILE 57 13.813 5.002 -9.897 375 H GLU 58 H GLU 58 12.966 0.242 -7.387 376 HA GLU 58 HA GLU 58 13.502 -1.209 -5.023 377 2HB GLU 58 2HB GLU 58 13.970 -2.642 -7.554 378 2HG GLU 58 2HG GLU 58 12.488 -2.922 -5.005 379 HE2 GLU 58 HE2 GLU 58 10.085 -5.188 -6.857 Start of MODEL 3 1 1H MET 1 1H MET 1 6.327 -3.616 -15.622 2 HA MET 1 HA MET 1 6.383 -5.788 -15.489 3 2HB MET 1 2HB MET 1 9.432 -5.429 -15.500 4 2HG MET 1 2HG MET 1 7.882 -7.634 -16.890 5 1HE MET 1 1HE MET 1 10.905 -8.833 -18.571 6 2HE MET 1 2HE MET 1 9.254 -9.304 -18.103 7 3HE MET 1 3HE MET 1 9.555 -7.697 -18.804 8 H HIS 2 H HIS 2 9.126 -4.568 -13.433 9 HA HIS 2 HA HIS 2 8.570 -6.657 -11.519 10 2HB HIS 2 2HB HIS 2 10.575 -5.838 -10.384 11 HD1 HIS 2 HD1 HIS 2 11.195 -5.025 -14.056 12 HD2 HIS 2 HD2 HIS 2 11.780 -8.150 -11.320 13 HE1 HIS 2 HE1 HIS 2 12.639 -6.758 -15.249 14 H SER 3 H SER 3 7.719 -6.349 -9.442 15 HA SER 3 HA SER 3 5.761 -4.633 -9.057 16 2HB SER 3 2HB SER 3 6.084 -4.932 -6.610 17 HG SER 3 HG SER 3 7.039 -7.421 -7.495 18 H ARG 4 H ARG 4 5.565 -2.426 -9.072 19 HA ARG 4 HA ARG 4 7.961 -0.892 -8.736 20 2HB ARG 4 2HB ARG 4 5.655 0.802 -9.061 21 2HG ARG 4 2HG ARG 4 8.124 0.057 -10.506 22 2HD ARG 4 2HD ARG 4 7.367 0.912 -12.705 23 HE ARG 4 HE ARG 4 7.125 -1.490 -12.637 24 1HH1 ARG 4 1HH1 ARG 4 4.170 0.216 -11.683 25 2HH1 ARG 4 2HH1 ARG 4 3.152 -1.170 -11.901 26 2HH2 ARG 4 2HH2 ARG 4 4.122 -3.235 -12.632 27 H PHE 5 H PHE 5 7.623 1.322 -7.446 28 HA PHE 5 HA PHE 5 6.584 0.538 -4.839 29 2HB PHE 5 2HB PHE 5 8.847 1.378 -4.785 30 HD1 PHE 5 HD1 PHE 5 7.210 4.427 -6.156 31 HD2 PHE 5 HD2 PHE 5 10.327 1.578 -6.570 32 HE1 PHE 5 HE1 PHE 5 8.206 5.787 -8.016 33 HE2 PHE 5 HE2 PHE 5 11.323 2.937 -8.430 34 HZ PHE 5 HZ PHE 5 10.250 5.026 -9.131 35 H VAL 6 H VAL 6 4.981 1.691 -3.736 36 HA VAL 6 HA VAL 6 3.936 4.087 -5.006 37 HB VAL 6 HB VAL 6 1.852 3.303 -5.454 38 1HG1 VAL 6 1HG1 VAL 6 3.353 0.681 -5.712 39 2HG1 VAL 6 2HG1 VAL 6 1.984 1.258 -6.691 40 3HG1 VAL 6 3HG1 VAL 6 3.569 2.057 -6.820 41 1HG2 VAL 6 1HG2 VAL 6 1.129 2.545 -3.342 42 2HG2 VAL 6 2HG2 VAL 6 0.946 1.138 -4.417 43 3HG2 VAL 6 3HG2 VAL 6 2.331 1.233 -3.303 44 H LYS 7 H LYS 7 3.393 5.596 -3.490 45 HA LYS 7 HA LYS 7 3.618 4.745 -0.719 46 2HB LYS 7 2HB LYS 7 3.953 7.301 -2.218 47 2HG LYS 7 2HG LYS 7 3.060 7.078 0.691 48 2HD LYS 7 2HD LYS 7 3.545 9.600 0.690 49 2HE LYS 7 2HE LYS 7 5.983 7.786 0.368 50 1HZ LYS 7 1HZ LYS 7 7.090 9.410 1.562 51 2HZ LYS 7 2HZ LYS 7 6.093 10.372 0.707 52 H VAL 8 H VAL 8 1.866 4.325 0.507 53 HA VAL 8 HA VAL 8 -0.666 5.540 -0.363 54 HB VAL 8 HB VAL 8 -1.694 3.459 0.666 55 1HG1 VAL 8 1HG1 VAL 8 -1.157 4.043 -1.865 56 2HG1 VAL 8 2HG1 VAL 8 -0.060 2.650 -1.711 57 3HG1 VAL 8 3HG1 VAL 8 -1.801 2.452 -1.397 58 1HG2 VAL 8 1HG2 VAL 8 0.804 2.914 1.577 59 2HG2 VAL 8 2HG2 VAL 8 -0.459 1.684 1.337 60 3HG2 VAL 8 3HG2 VAL 8 0.784 1.937 0.089 61 H LYS 9 H LYS 9 -2.298 5.618 1.536 62 HA LYS 9 HA LYS 9 -0.875 6.078 4.053 63 2HB LYS 9 2HB LYS 9 -2.809 8.010 2.739 64 2HG LYS 9 2HG LYS 9 -1.301 8.212 5.388 65 2HD LYS 9 2HD LYS 9 -2.663 10.143 3.662 66 2HE LYS 9 2HE LYS 9 -3.762 9.665 6.465 67 1HZ LYS 9 1HZ LYS 9 -3.342 11.968 6.435 68 2HZ LYS 9 2HZ LYS 9 -3.692 12.144 4.854 69 H CYS 10 H CYS 10 -1.944 5.329 5.853 70 HA CYS 10 HA CYS 10 -4.138 3.615 5.382 71 2HB CYS 10 2HB CYS 10 -3.301 4.501 8.134 72 HG CYS 10 HG CYS 10 -3.246 1.501 7.976 73 HA PRO 11 HA PRO 11 -7.187 6.714 5.929 74 2HB PRO 11 2HB PRO 11 -8.565 5.743 4.360 75 2HG PRO 11 2HG PRO 11 -8.074 3.541 3.878 76 2HD PRO 11 2HD PRO 11 -5.853 3.479 4.470 77 H ASP 12 H ASP 12 -7.209 3.805 7.860 78 HA ASP 12 HA ASP 12 -8.838 5.072 9.824 79 2HB ASP 12 2HB ASP 12 -7.483 2.771 10.889 80 HD2 ASP 12 HD2 ASP 12 -9.958 3.747 11.977 81 H CYS 13 H CYS 13 -5.392 4.055 9.358 82 HA CYS 13 HA CYS 13 -4.586 4.965 11.925 83 2HB CYS 13 2HB CYS 13 -2.460 4.716 9.919 84 HG CYS 13 HG CYS 13 -1.151 4.126 11.793 85 H GLU 14 H GLU 14 -4.880 6.273 8.622 86 HA GLU 14 HA GLU 14 -4.781 8.306 7.856 87 2HB GLU 14 2HB GLU 14 -4.781 10.271 9.374 88 2HG GLU 14 2HG GLU 14 -6.470 8.161 10.742 89 HE2 GLU 14 HE2 GLU 14 -7.928 10.340 12.184 90 H HIS 15 H HIS 15 -2.304 6.567 8.991 91 HA HIS 15 HA HIS 15 -0.298 8.662 8.732 92 2HB HIS 15 2HB HIS 15 0.122 5.759 9.478 93 HD1 HIS 15 HD1 HIS 15 2.537 5.815 8.485 94 HD2 HIS 15 HD2 HIS 15 1.751 8.827 11.297 95 HE1 HIS 15 HE1 HIS 15 4.798 6.824 9.103 96 H GLU 16 H GLU 16 1.485 8.430 7.216 97 HA GLU 16 HA GLU 16 0.558 7.188 4.799 98 2HB GLU 16 2HB GLU 16 2.627 8.345 3.830 99 2HG GLU 16 2HG GLU 16 0.588 10.005 5.385 100 HE2 GLU 16 HE2 GLU 16 3.531 11.229 3.132 101 H GLN 17 H GLN 17 1.549 5.442 3.734 102 HA GLN 17 HA GLN 17 3.962 4.400 4.934 103 2HB GLN 17 2HB GLN 17 2.424 2.090 4.451 104 2HG GLN 17 2HG GLN 17 2.339 2.060 7.039 105 1HE2 GLN 17 1HE2 GLN 17 3.349 0.291 5.763 106 2HE2 GLN 17 2HE2 GLN 17 5.076 0.154 5.760 107 H VAL 18 H VAL 18 4.981 2.671 3.515 108 HA VAL 18 HA VAL 18 4.162 3.082 0.721 109 HB VAL 18 HB VAL 18 6.933 2.780 1.897 110 1HG1 VAL 18 1HG1 VAL 18 7.127 1.719 -0.164 111 2HG1 VAL 18 2HG1 VAL 18 5.920 2.774 -0.939 112 3HG1 VAL 18 3HG1 VAL 18 7.541 3.404 -0.563 113 1HG2 VAL 18 1HG2 VAL 18 7.308 5.062 1.235 114 2HG2 VAL 18 2HG2 VAL 18 5.714 5.151 0.447 115 3HG2 VAL 18 3HG2 VAL 18 5.825 5.007 2.218 116 H ILE 19 H ILE 19 3.302 1.259 -0.118 117 HA ILE 19 HA ILE 19 4.556 -1.269 0.662 118 HB ILE 19 HB ILE 19 2.334 -2.318 0.727 119 2HG1 ILE 19 2HG1 ILE 19 1.446 0.011 -0.494 120 1HG2 ILE 19 1HG2 ILE 19 1.724 -0.575 2.848 121 2HG2 ILE 19 2HG2 ILE 19 2.656 -2.090 2.910 122 3HG2 ILE 19 3HG2 ILE 19 3.496 -0.538 2.678 123 1HD1 ILE 19 1HD1 ILE 19 0.536 -2.543 -0.077 124 2HD1 ILE 19 2HD1 ILE 19 -0.599 -1.616 0.935 125 3HD1 ILE 19 3HD1 ILE 19 -0.447 -1.246 -0.800 126 H PHE 20 H PHE 20 3.915 -3.060 -0.954 127 HA PHE 20 HA PHE 20 4.431 -2.001 -3.560 128 2HB PHE 20 2HB PHE 20 4.584 -4.432 -4.091 129 HD1 PHE 20 HD1 PHE 20 5.088 -5.919 -1.130 130 HD2 PHE 20 HD2 PHE 20 6.670 -2.661 -3.342 131 HE1 PHE 20 HE1 PHE 20 7.266 -6.143 0.097 132 HE2 PHE 20 HE2 PHE 20 8.848 -2.886 -2.114 133 HZ PHE 20 HZ PHE 20 9.119 -4.623 -0.409 134 H ASP 21 H ASP 21 3.122 -2.320 -5.466 135 HA ASP 21 HA ASP 21 0.337 -2.162 -4.825 136 2HB ASP 21 2HB ASP 21 1.577 -0.688 -6.528 137 HD2 ASP 21 HD2 ASP 21 0.169 -2.210 -9.019 138 H HIS 22 H HIS 22 -0.921 -4.030 -4.807 139 HA HIS 22 HA HIS 22 -1.723 -6.004 -5.338 140 2HB HIS 22 2HB HIS 22 -1.393 -6.950 -7.557 141 HD1 HIS 22 HD1 HIS 22 -3.273 -6.154 -8.990 142 HD2 HIS 22 HD2 HIS 22 -1.194 -2.971 -7.215 143 HE1 HIS 22 HE1 HIS 22 -4.501 -4.025 -9.677 144 HA PRO 23 HA PRO 23 2.155 -7.828 -3.786 145 2HB PRO 23 2HB PRO 23 2.376 -6.738 -1.769 146 2HG PRO 23 2HG PRO 23 0.564 -5.440 -1.173 147 2HD PRO 23 2HD PRO 23 -0.343 -5.028 -3.245 148 H SER 24 H SER 24 2.166 -9.858 -1.973 149 HA SER 24 HA SER 24 0.206 -11.611 -3.237 150 2HB SER 24 2HB SER 24 2.713 -12.702 -1.971 151 HG SER 24 HG SER 24 1.981 -14.406 -3.023 152 H THR 25 H THR 25 1.846 -10.559 -0.239 153 HA THR 25 HA THR 25 0.066 -12.313 1.310 154 HB THR 25 HB THR 25 1.884 -11.355 3.104 155 HG1 THR 25 HG1 THR 25 2.995 -10.076 1.520 156 1HG2 THR 25 1HG2 THR 25 1.729 -13.757 2.707 157 2HG2 THR 25 2HG2 THR 25 2.312 -13.569 1.036 158 3HG2 THR 25 3HG2 THR 25 3.419 -13.291 2.402 159 H ILE 26 H ILE 26 -0.835 -11.394 3.349 160 HA ILE 26 HA ILE 26 -2.267 -9.058 2.722 161 HB ILE 26 HB ILE 26 -1.926 -10.497 5.355 162 2HG1 ILE 26 2HG1 ILE 26 -2.731 -11.884 3.397 163 1HG2 ILE 26 1HG2 ILE 26 -3.180 -8.911 6.260 164 2HG2 ILE 26 2HG2 ILE 26 -3.260 -8.051 4.703 165 3HG2 ILE 26 3HG2 ILE 26 -4.478 -9.287 5.101 166 1HD1 ILE 26 1HD1 ILE 26 -3.338 -12.222 5.895 167 2HD1 ILE 26 2HD1 ILE 26 -4.897 -11.464 5.490 168 3HD1 ILE 26 3HD1 ILE 26 -4.410 -12.980 4.693 169 H VAL 27 H VAL 27 -2.041 -6.918 3.381 170 HA VAL 27 HA VAL 27 0.592 -6.307 4.506 171 HB VAL 27 HB VAL 27 -1.340 -4.481 3.072 172 1HG1 VAL 27 1HG1 VAL 27 1.650 -4.201 3.512 173 2HG1 VAL 27 2HG1 VAL 27 0.539 -2.998 2.816 174 3HG1 VAL 27 3HG1 VAL 27 0.410 -3.438 4.535 175 1HG2 VAL 27 1HG2 VAL 27 -0.790 -6.232 1.520 176 2HG2 VAL 27 2HG2 VAL 27 0.170 -4.796 1.090 177 3HG2 VAL 27 3HG2 VAL 27 0.934 -6.151 1.955 178 H LYS 28 H LYS 28 0.635 -5.930 6.656 179 HA LYS 28 HA LYS 28 -1.817 -4.869 7.861 180 2HB LYS 28 2HB LYS 28 -0.374 -5.692 9.979 181 2HG LYS 28 2HG LYS 28 -1.771 -7.826 8.364 182 2HD LYS 28 2HD LYS 28 -2.603 -7.005 11.118 183 2HE LYS 28 2HE LYS 28 -1.826 -9.726 9.974 184 1HZ LYS 28 1HZ LYS 28 -2.349 -9.078 12.507 185 2HZ LYS 28 2HZ LYS 28 -3.872 -9.364 12.009 186 H CYS 29 H CYS 29 -1.813 -2.909 8.916 187 HA CYS 29 HA CYS 29 0.047 -1.030 8.224 188 2HB CYS 29 2HB CYS 29 -1.505 -0.834 10.805 189 HG CYS 29 HG CYS 29 0.348 0.919 9.141 190 H ILE 30 H ILE 30 2.020 -0.335 9.105 191 HA ILE 30 HA ILE 30 3.275 -2.145 10.935 192 HB ILE 30 HB ILE 30 5.200 -0.535 10.625 193 2HG1 ILE 30 2HG1 ILE 30 3.245 1.184 9.686 194 1HG2 ILE 30 1HG2 ILE 30 5.863 -1.604 8.697 195 2HG2 ILE 30 2HG2 ILE 30 4.567 -2.682 9.270 196 3HG2 ILE 30 3HG2 ILE 30 4.245 -1.522 7.960 197 1HD1 ILE 30 1HD1 ILE 30 5.097 2.354 10.347 198 2HD1 ILE 30 2HD1 ILE 30 6.210 1.065 9.829 199 3HD1 ILE 30 3HD1 ILE 30 5.572 2.221 8.636 200 H ILE 31 H ILE 31 1.173 0.505 11.255 201 HA ILE 31 HA ILE 31 2.402 1.600 13.610 202 HB ILE 31 HB ILE 31 -0.339 2.063 12.431 203 2HG1 ILE 31 2HG1 ILE 31 0.927 4.235 11.659 204 1HG2 ILE 31 1HG2 ILE 31 0.995 3.030 14.827 205 2HG2 ILE 31 2HG2 ILE 31 0.528 4.359 13.739 206 3HG2 ILE 31 3HG2 ILE 31 -0.699 3.201 14.307 207 1HD1 ILE 31 1HD1 ILE 31 3.170 2.201 11.434 208 2HD1 ILE 31 2HD1 ILE 31 3.228 3.955 11.136 209 3HD1 ILE 31 3HD1 ILE 31 3.090 3.337 12.801 210 H CYS 32 H CYS 32 -1.012 0.486 13.282 211 HA CYS 32 HA CYS 32 -0.767 -0.664 15.924 212 2HB CYS 32 2HB CYS 32 -3.119 -0.041 14.129 213 HG CYS 32 HG CYS 32 -3.741 -0.851 17.143 214 H GLY 33 H GLY 33 -1.874 -1.588 12.581 215 1HA GLY 33 1HA GLY 33 -0.740 -3.725 11.848 216 2HA GLY 33 2HA GLY 33 -1.423 -4.418 13.306 217 H ARG 34 H ARG 34 -3.045 -1.916 11.304 218 HA ARG 34 HA ARG 34 -5.226 -3.753 10.993 219 2HB ARG 34 2HB ARG 34 -5.157 -1.067 11.512 220 2HG ARG 34 2HG ARG 34 -5.853 -1.274 8.548 221 2HD ARG 34 2HD ARG 34 -6.324 1.005 8.642 222 HE ARG 34 HE ARG 34 -6.935 0.929 11.472 223 1HH1 ARG 34 1HH1 ARG 34 -7.818 -0.565 8.384 224 2HH1 ARG 34 2HH1 ARG 34 -9.413 -0.995 8.905 225 2HH2 ARG 34 2HH2 ARG 34 -10.109 -0.439 11.130 226 H THR 35 H THR 35 -6.197 -4.239 8.873 227 HA THR 35 HA THR 35 -4.278 -4.752 6.874 228 HB THR 35 HB THR 35 -7.305 -4.695 6.514 229 HG1 THR 35 HG1 THR 35 -7.160 -5.907 8.385 230 1HG2 THR 35 1HG2 THR 35 -6.349 -5.617 4.556 231 2HG2 THR 35 2HG2 THR 35 -4.956 -6.287 5.439 232 3HG2 THR 35 3HG2 THR 35 -6.550 -7.069 5.567 233 H VAL 36 H VAL 36 -3.439 -3.530 5.309 234 HA VAL 36 HA VAL 36 -4.884 -1.047 4.690 235 HB VAL 36 HB VAL 36 -2.531 -0.308 3.968 236 1HG1 VAL 36 1HG1 VAL 36 -3.484 0.800 5.801 237 2HG1 VAL 36 2HG1 VAL 36 -3.450 -0.658 6.822 238 3HG1 VAL 36 3HG1 VAL 36 -1.934 0.189 6.431 239 1HG2 VAL 36 1HG2 VAL 36 -1.419 -2.141 6.024 240 2HG2 VAL 36 2HG2 VAL 36 -1.811 -2.870 4.449 241 3HG2 VAL 36 3HG2 VAL 36 -0.683 -1.495 4.538 242 H ALA 37 H ALA 37 -3.863 -4.140 3.589 243 HA ALA 37 HA ALA 37 -4.906 -3.617 0.997 244 1HB ALA 37 1HB ALA 37 -2.017 -3.374 1.458 245 2HB ALA 37 2HB ALA 37 -2.415 -4.600 0.231 246 3HB ALA 37 3HB ALA 37 -2.984 -2.926 0.034 247 H GLU 38 H GLU 38 -5.649 -5.532 0.095 248 HA GLU 38 HA GLU 38 -4.785 -7.942 1.493 249 2HB GLU 38 2HB GLU 38 -7.398 -8.415 0.509 250 2HG GLU 38 2HG GLU 38 -6.771 -7.568 3.359 251 HE2 GLU 38 HE2 GLU 38 -9.199 -7.397 2.523 252 HA PRO 39 HA PRO 39 -3.938 -9.338 -2.539 253 2HB PRO 39 2HB PRO 39 -2.264 -10.724 -1.779 254 2HG PRO 39 2HG PRO 39 -2.388 -11.245 0.464 255 2HD PRO 39 2HD PRO 39 -3.595 -9.446 1.234 256 H THR 40 H THR 40 -6.183 -8.716 -3.111 257 HA THR 40 HA THR 40 -8.305 -10.416 -2.925 258 HB THR 40 HB THR 40 -9.071 -9.205 -5.020 259 HG1 THR 40 HG1 THR 40 -7.409 -8.414 -6.253 260 1HG2 THR 40 1HG2 THR 40 -9.132 -7.041 -4.062 261 2HG2 THR 40 2HG2 THR 40 -8.858 -8.055 -2.626 262 3HG2 THR 40 3HG2 THR 40 -7.495 -7.194 -3.381 263 H GLY 41 H GLY 41 -9.388 -11.627 -4.825 264 1HA GLY 41 1HA GLY 41 -8.124 -13.989 -5.271 265 2HA GLY 41 2HA GLY 41 -9.357 -13.318 -6.319 266 H GLY 42 H GLY 42 -5.949 -14.009 -5.915 267 1HA GLY 42 1HA GLY 42 -4.536 -14.342 -7.742 268 2HA GLY 42 2HA GLY 42 -5.491 -13.232 -8.705 269 H LYS 43 H LYS 43 -5.312 -10.893 -8.323 270 HA LYS 43 HA LYS 43 -2.636 -10.225 -7.433 271 2HB LYS 43 2HB LYS 43 -3.571 -9.454 -9.630 272 2HG LYS 43 2HG LYS 43 -5.080 -7.361 -8.045 273 2HD LYS 43 2HD LYS 43 -4.630 -8.056 -10.845 274 2HE LYS 43 2HE LYS 43 -7.416 -8.322 -9.752 275 1HZ LYS 43 1HZ LYS 43 -7.312 -7.439 -12.494 276 2HZ LYS 43 2HZ LYS 43 -8.366 -7.024 -11.325 277 H GLY 44 H GLY 44 -2.677 -7.797 -6.364 278 1HA GLY 44 1HA GLY 44 -4.441 -8.085 -4.006 279 2HA GLY 44 2HA GLY 44 -2.809 -7.443 -3.973 280 H ASN 45 H ASN 45 -5.349 -6.150 -3.101 281 HA ASN 45 HA ASN 45 -5.241 -3.891 -4.943 282 2HB ASN 45 2HB ASN 45 -7.672 -4.190 -3.222 283 1HD2 ASN 45 1HD2 ASN 45 -9.604 -4.043 -4.809 284 2HD2 ASN 45 2HD2 ASN 45 -9.476 -2.847 -6.054 285 H ILE 46 H ILE 46 -5.094 -1.803 -3.910 286 HA ILE 46 HA ILE 46 -4.225 -1.909 -1.165 287 HB ILE 46 HB ILE 46 -4.405 0.373 -3.136 288 2HG1 ILE 46 2HG1 ILE 46 -2.827 -1.049 -4.065 289 1HG2 ILE 46 1HG2 ILE 46 -2.518 0.602 -0.908 290 2HG2 ILE 46 2HG2 ILE 46 -3.667 1.787 -1.574 291 3HG2 ILE 46 3HG2 ILE 46 -4.222 0.571 -0.398 292 1HD1 ILE 46 1HD1 ILE 46 -0.834 0.125 -3.890 293 2HD1 ILE 46 2HD1 ILE 46 -1.913 1.285 -3.078 294 3HD1 ILE 46 3HD1 ILE 46 -0.902 0.182 -2.112 295 H LYS 47 H LYS 47 -5.639 -1.843 0.488 296 HA LYS 47 HA LYS 47 -8.254 -0.674 -0.006 297 2HB LYS 47 2HB LYS 47 -9.007 -1.895 1.838 298 2HG LYS 47 2HG LYS 47 -6.862 -3.867 1.301 299 2HD LYS 47 2HD LYS 47 -9.698 -3.786 1.724 300 2HE LYS 47 2HE LYS 47 -8.898 -5.150 -0.892 301 1HZ LYS 47 1HZ LYS 47 -11.495 -5.302 -0.824 302 2HZ LYS 47 2HZ LYS 47 -10.616 -6.422 -0.035 303 H ALA 48 H ALA 48 -6.037 1.147 -0.039 304 HA ALA 48 HA ALA 48 -6.871 2.820 2.184 305 1HB ALA 48 1HB ALA 48 -4.119 1.689 1.771 306 2HB ALA 48 2HB ALA 48 -4.267 3.366 2.350 307 3HB ALA 48 3HB ALA 48 -4.992 2.034 3.282 308 H GLU 49 H GLU 49 -6.124 5.128 1.825 309 HA GLU 49 HA GLU 49 -6.604 5.761 -0.883 310 2HB GLU 49 2HB GLU 49 -5.839 7.509 1.495 311 2HG GLU 49 2HG GLU 49 -6.558 8.127 -1.373 312 HE2 GLU 49 HE2 GLU 49 -6.300 10.947 0.593 313 H ILE 50 H ILE 50 -5.115 5.862 -2.503 314 HA ILE 50 HA ILE 50 -2.321 5.781 -1.801 315 HB ILE 50 HB ILE 50 -3.722 5.737 -4.476 316 2HG1 ILE 50 2HG1 ILE 50 -4.429 3.782 -3.453 317 1HG2 ILE 50 1HG2 ILE 50 -1.730 5.450 -5.522 318 2HG2 ILE 50 2HG2 ILE 50 -1.162 6.435 -4.153 319 3HG2 ILE 50 3HG2 ILE 50 -0.970 4.666 -4.116 320 1HD1 ILE 50 1HD1 ILE 50 -1.718 2.789 -4.378 321 2HD1 ILE 50 2HD1 ILE 50 -3.313 2.021 -4.564 322 3HD1 ILE 50 3HD1 ILE 50 -2.887 3.440 -5.551 323 H ILE 51 H ILE 51 -0.783 7.389 -2.177 324 HA ILE 51 HA ILE 51 -1.955 10.025 -2.657 325 HB ILE 51 HB ILE 51 0.394 9.004 -1.125 326 2HG1 ILE 51 2HG1 ILE 51 -1.924 10.869 -0.599 327 1HG2 ILE 51 1HG2 ILE 51 1.081 11.482 -0.928 328 2HG2 ILE 51 2HG2 ILE 51 1.580 10.571 -2.373 329 3HG2 ILE 51 3HG2 ILE 51 0.203 11.695 -2.462 330 1HD1 ILE 51 1HD1 ILE 51 -0.883 8.334 0.749 331 2HD1 ILE 51 2HD1 ILE 51 -2.302 9.274 1.267 332 3HD1 ILE 51 3HD1 ILE 51 -2.315 8.436 -0.303 333 H GLU 52 H GLU 52 1.048 8.130 -3.444 334 HA GLU 52 HA GLU 52 0.825 8.452 -6.144 335 2HB GLU 52 2HB GLU 52 3.014 10.334 -5.494 336 2HG GLU 52 2HG GLU 52 1.171 9.728 -7.639 337 HE2 GLU 52 HE2 GLU 52 0.177 13.201 -8.384 338 H TYR 53 H TYR 53 3.468 8.561 -7.031 339 HA TYR 53 HA TYR 53 4.468 6.100 -5.985 340 2HB TYR 53 2HB TYR 53 6.310 6.777 -7.724 341 HD1 TYR 53 HD1 TYR 53 3.322 8.260 -9.227 342 HD2 TYR 53 HD2 TYR 53 5.406 4.600 -8.473 343 HE1 TYR 53 HE1 TYR 53 1.892 7.079 -10.968 344 HE2 TYR 53 HE2 TYR 53 3.969 3.431 -10.215 345 HH TYR 53 HH TYR 53 2.274 4.984 -12.487 346 H VAL 54 H VAL 54 6.501 5.719 -4.958 347 HA VAL 54 HA VAL 54 7.377 8.016 -3.388 348 HB VAL 54 HB VAL 54 8.620 5.495 -2.731 349 1HG1 VAL 54 1HG1 VAL 54 8.588 7.062 -1.027 350 2HG1 VAL 54 2HG1 VAL 54 6.919 7.571 -1.376 351 3HG1 VAL 54 3HG1 VAL 54 7.224 6.015 -0.568 352 1HG2 VAL 54 1HG2 VAL 54 6.799 4.300 -3.631 353 2HG2 VAL 54 2HG2 VAL 54 6.434 4.440 -1.893 354 3HG2 VAL 54 3HG2 VAL 54 5.614 5.502 -3.063 355 H ASP 55 H ASP 55 9.839 8.071 -2.928 356 HA ASP 55 HA ASP 55 11.097 7.961 -5.520 357 2HB ASP 55 2HB ASP 55 12.542 8.958 -3.080 358 HD2 ASP 55 HD2 ASP 55 13.533 9.125 -6.480 359 H GLN 56 H GLN 56 10.798 6.143 -2.608 360 HA GLN 56 HA GLN 56 13.450 5.164 -2.499 361 2HB GLN 56 2HB GLN 56 11.964 3.321 -1.101 362 2HG GLN 56 2HG GLN 56 13.140 6.015 -0.426 363 1HE2 GLN 56 1HE2 GLN 56 13.554 4.600 2.252 364 2HE2 GLN 56 2HE2 GLN 56 12.159 5.008 3.194 365 H ILE 57 H ILE 57 13.995 4.322 -4.565 366 HA ILE 57 HA ILE 57 12.257 2.401 -5.799 367 HB ILE 57 HB ILE 57 15.087 3.123 -6.543 368 2HG1 ILE 57 2HG1 ILE 57 13.829 5.193 -6.304 369 1HG2 ILE 57 1HG2 ILE 57 14.541 1.304 -7.842 370 2HG2 ILE 57 2HG2 ILE 57 12.811 1.719 -7.897 371 3HG2 ILE 57 3HG2 ILE 57 13.979 2.645 -8.868 372 1HD1 ILE 57 1HD1 ILE 57 13.728 4.661 -9.272 373 2HD1 ILE 57 2HD1 ILE 57 14.357 6.079 -8.398 374 3HD1 ILE 57 3HD1 ILE 57 15.298 4.569 -8.440 375 H GLU 58 H GLU 58 13.337 0.238 -6.563 376 HA GLU 58 HA GLU 58 14.241 -1.003 -4.128 377 2HB GLU 58 2HB GLU 58 13.979 -2.753 -6.478 378 2HG GLU 58 2HG GLU 58 12.110 -2.721 -4.107 379 HE2 GLU 58 HE2 GLU 58 11.375 -4.751 -3.830 Start of MODEL 4 1 1H MET 1 1H MET 1 6.758 -4.661 -15.852 2 HA MET 1 HA MET 1 7.566 -6.637 -15.328 3 2HB MET 1 2HB MET 1 10.219 -6.604 -15.512 4 2HG MET 1 2HG MET 1 8.500 -5.407 -17.742 5 1HE MET 1 1HE MET 1 8.943 -5.969 -19.947 6 2HE MET 1 2HE MET 1 10.553 -5.708 -20.659 7 3HE MET 1 3HE MET 1 9.999 -7.359 -20.291 8 H HIS 2 H HIS 2 9.842 -4.356 -13.622 9 HA HIS 2 HA HIS 2 10.022 -6.212 -11.438 10 2HB HIS 2 2HB HIS 2 11.387 -4.062 -10.574 11 HD1 HIS 2 HD1 HIS 2 14.091 -4.251 -11.160 12 HD2 HIS 2 HD2 HIS 2 11.598 -7.364 -12.459 13 HE1 HIS 2 HE1 HIS 2 15.619 -6.237 -11.638 14 H SER 3 H SER 3 9.063 -6.029 -9.420 15 HA SER 3 HA SER 3 6.672 -4.954 -9.131 16 2HB SER 3 2HB SER 3 8.238 -6.329 -7.482 17 HG SER 3 HG SER 3 8.608 -4.879 -5.565 18 H ARG 4 H ARG 4 5.793 -2.916 -9.176 19 HA ARG 4 HA ARG 4 7.599 -0.711 -9.162 20 2HB ARG 4 2HB ARG 4 4.862 0.179 -9.176 21 2HG ARG 4 2HG ARG 4 7.074 -0.152 -11.221 22 2HD ARG 4 2HD ARG 4 5.539 1.169 -12.794 23 HE ARG 4 HE ARG 4 5.363 -1.700 -12.242 24 1HH1 ARG 4 1HH1 ARG 4 4.188 0.910 -14.330 25 2HH1 ARG 4 2HH1 ARG 4 3.768 -0.152 -15.632 26 2HH2 ARG 4 2HH2 ARG 4 4.143 -2.508 -15.392 27 H PHE 5 H PHE 5 6.773 1.376 -7.883 28 HA PHE 5 HA PHE 5 6.132 0.467 -5.168 29 2HB PHE 5 2HB PHE 5 8.270 1.513 -5.097 30 HD1 PHE 5 HD1 PHE 5 6.472 4.255 -6.869 31 HD2 PHE 5 HD2 PHE 5 9.813 1.640 -6.825 32 HE1 PHE 5 HE1 PHE 5 7.439 5.457 -8.849 33 HE2 PHE 5 HE2 PHE 5 10.779 2.842 -8.805 34 HZ PHE 5 HZ PHE 5 9.581 4.736 -9.793 35 H VAL 6 H VAL 6 4.533 1.550 -3.961 36 HA VAL 6 HA VAL 6 3.191 3.785 -5.252 37 HB VAL 6 HB VAL 6 1.868 2.121 -6.154 38 1HG1 VAL 6 1HG1 VAL 6 3.014 0.300 -4.755 39 2HG1 VAL 6 2HG1 VAL 6 1.723 0.572 -3.561 40 3HG1 VAL 6 3HG1 VAL 6 1.313 0.034 -5.208 41 1HG2 VAL 6 1HG2 VAL 6 0.754 3.788 -4.330 42 2HG2 VAL 6 2HG2 VAL 6 -0.180 2.663 -5.346 43 3HG2 VAL 6 3HG2 VAL 6 0.240 2.214 -3.675 44 H LYS 7 H LYS 7 2.694 5.337 -3.771 45 HA LYS 7 HA LYS 7 3.145 4.634 -0.982 46 2HB LYS 7 2HB LYS 7 3.230 7.157 -2.593 47 2HG LYS 7 2HG LYS 7 2.599 6.901 0.368 48 2HD LYS 7 2HD LYS 7 3.209 9.470 0.297 49 2HE LYS 7 2HE LYS 7 5.364 7.302 0.366 50 1HZ LYS 7 1HZ LYS 7 6.399 9.017 1.885 51 2HZ LYS 7 2HZ LYS 7 6.420 9.421 0.308 52 H VAL 8 H VAL 8 1.523 4.414 0.480 53 HA VAL 8 HA VAL 8 -1.101 5.463 -0.307 54 HB VAL 8 HB VAL 8 -2.031 3.400 0.829 55 1HG1 VAL 8 1HG1 VAL 8 -1.615 3.908 -1.751 56 2HG1 VAL 8 2HG1 VAL 8 -0.521 2.513 -1.595 57 3HG1 VAL 8 3HG1 VAL 8 -2.246 2.341 -1.193 58 1HG2 VAL 8 1HG2 VAL 8 0.479 1.937 0.178 59 2HG2 VAL 8 2HG2 VAL 8 0.477 2.911 1.669 60 3HG2 VAL 8 3HG2 VAL 8 -0.738 1.630 1.440 61 H LYS 9 H LYS 9 -2.601 5.572 1.696 62 HA LYS 9 HA LYS 9 -1.032 6.086 4.109 63 2HB LYS 9 2HB LYS 9 -2.849 8.034 2.686 64 2HG LYS 9 2HG LYS 9 -1.771 8.311 5.524 65 2HD LYS 9 2HD LYS 9 -3.862 9.868 3.929 66 2HE LYS 9 2HE LYS 9 -2.685 10.945 6.453 67 1HZ LYS 9 1HZ LYS 9 -4.393 12.224 5.562 68 2HZ LYS 9 2HZ LYS 9 -5.279 10.954 5.059 69 H CYS 10 H CYS 10 -1.998 5.352 5.965 70 HA CYS 10 HA CYS 10 -4.257 3.692 5.649 71 2HB CYS 10 2HB CYS 10 -3.307 4.561 8.359 72 HG CYS 10 HG CYS 10 -5.359 2.952 8.208 73 HA PRO 11 HA PRO 11 -7.200 6.861 6.348 74 2HB PRO 11 2HB PRO 11 -8.697 5.899 4.886 75 2HG PRO 11 2HG PRO 11 -8.284 3.680 4.407 76 2HD PRO 11 2HD PRO 11 -6.032 3.578 4.856 77 H ASP 12 H ASP 12 -7.167 3.980 8.320 78 HA ASP 12 HA ASP 12 -8.630 5.319 10.366 79 2HB ASP 12 2HB ASP 12 -7.029 2.756 10.696 80 HD2 ASP 12 HD2 ASP 12 -10.189 1.837 12.062 81 H CYS 13 H CYS 13 -5.251 4.253 9.646 82 HA CYS 13 HA CYS 13 -4.251 5.143 12.158 83 2HB CYS 13 2HB CYS 13 -2.260 4.826 10.035 84 HG CYS 13 HG CYS 13 -2.263 2.442 11.994 85 H GLU 14 H GLU 14 -4.798 6.445 8.898 86 HA GLU 14 HA GLU 14 -4.666 8.454 8.084 87 2HB GLU 14 2HB GLU 14 -4.364 10.438 9.677 88 2HG GLU 14 2HG GLU 14 -6.452 8.540 10.776 89 HE2 GLU 14 HE2 GLU 14 -6.689 11.976 11.919 90 H HIS 15 H HIS 15 -2.167 6.675 9.068 91 HA HIS 15 HA HIS 15 -0.138 8.731 8.691 92 2HB HIS 15 2HB HIS 15 0.433 5.849 9.327 93 HD1 HIS 15 HD1 HIS 15 2.596 5.786 10.988 94 HD2 HIS 15 HD2 HIS 15 1.895 9.380 8.942 95 HE1 HIS 15 HE1 HIS 15 4.772 7.114 11.107 96 H GLU 16 H GLU 16 1.545 8.466 7.073 97 HA GLU 16 HA GLU 16 0.462 7.197 4.731 98 2HB GLU 16 2HB GLU 16 2.450 8.354 3.611 99 2HG GLU 16 2HG GLU 16 0.389 9.897 5.234 100 HE2 GLU 16 HE2 GLU 16 0.375 11.528 2.756 101 H GLN 17 H GLN 17 1.400 5.444 3.627 102 HA GLN 17 HA GLN 17 3.904 4.447 4.655 103 2HB GLN 17 2HB GLN 17 2.359 2.108 4.393 104 2HG GLN 17 2HG GLN 17 2.491 2.198 6.991 105 1HE2 GLN 17 1HE2 GLN 17 3.345 0.383 5.593 106 2HE2 GLN 17 2HE2 GLN 17 5.064 0.203 5.480 107 H VAL 18 H VAL 18 4.860 2.753 3.195 108 HA VAL 18 HA VAL 18 3.775 3.047 0.479 109 HB VAL 18 HB VAL 18 6.635 2.789 1.425 110 1HG1 VAL 18 1HG1 VAL 18 5.390 2.655 -1.310 111 2HG1 VAL 18 2HG1 VAL 18 7.022 3.332 -1.105 112 3HG1 VAL 18 3HG1 VAL 18 6.684 1.660 -0.602 113 1HG2 VAL 18 1HG2 VAL 18 5.179 5.098 0.094 114 2HG2 VAL 18 2HG2 VAL 18 5.685 5.019 1.799 115 3HG2 VAL 18 3HG2 VAL 18 6.910 5.053 0.507 116 H ILE 19 H ILE 19 2.937 1.201 -0.330 117 HA ILE 19 HA ILE 19 4.183 -1.308 0.535 118 HB ILE 19 HB ILE 19 1.949 -2.336 0.595 119 2HG1 ILE 19 2HG1 ILE 19 1.131 0.076 -0.631 120 1HG2 ILE 19 1HG2 ILE 19 2.801 -0.189 2.487 121 2HG2 ILE 19 2HG2 ILE 19 1.198 -0.928 2.711 122 3HG2 ILE 19 3HG2 ILE 19 2.658 -1.945 2.729 123 1HD1 ILE 19 1HD1 ILE 19 -0.085 -1.736 -1.363 124 2HD1 ILE 19 2HD1 ILE 19 -0.034 -2.540 0.225 125 3HD1 ILE 19 3HD1 ILE 19 -1.198 -1.225 -0.070 126 H PHE 20 H PHE 20 3.526 -3.154 -1.026 127 HA PHE 20 HA PHE 20 4.188 -2.252 -3.638 128 2HB PHE 20 2HB PHE 20 4.207 -4.676 -4.071 129 HD1 PHE 20 HD1 PHE 20 3.922 -5.144 -0.479 130 HD2 PHE 20 HD2 PHE 20 6.575 -4.153 -3.639 131 HE1 PHE 20 HE1 PHE 20 5.880 -5.576 1.030 132 HE2 PHE 20 HE2 PHE 20 8.534 -4.585 -2.130 133 HZ PHE 20 HZ PHE 20 8.163 -5.291 0.187 134 H ASP 21 H ASP 21 2.940 -2.576 -5.603 135 HA ASP 21 HA ASP 21 0.207 -1.949 -5.166 136 2HB ASP 21 2HB ASP 21 1.262 -0.831 -6.999 137 HD2 ASP 21 HD2 ASP 21 4.078 -2.132 -8.176 138 H HIS 22 H HIS 22 2.110 -4.809 -5.494 139 HA HIS 22 HA HIS 22 -0.249 -6.421 -5.633 140 2HB HIS 22 2HB HIS 22 -0.024 -6.201 -7.972 141 HD1 HIS 22 HD1 HIS 22 3.499 -6.901 -6.666 142 HD2 HIS 22 HD2 HIS 22 1.556 -5.609 -10.151 143 HE1 HIS 22 HE1 HIS 22 5.336 -6.172 -8.279 144 HA PRO 23 HA PRO 23 3.199 -7.966 -3.131 145 2HB PRO 23 2HB PRO 23 2.902 -6.691 -1.238 146 2HG PRO 23 2HG PRO 23 0.959 -5.448 -1.209 147 2HD PRO 23 2HD PRO 23 0.552 -5.274 -3.466 148 H SER 24 H SER 24 3.048 -9.883 -1.327 149 HA SER 24 HA SER 24 1.317 -11.793 -2.693 150 2HB SER 24 2HB SER 24 3.727 -12.239 -3.055 151 HG SER 24 HG SER 24 4.113 -11.413 -0.634 152 H THR 25 H THR 25 2.608 -10.526 0.393 153 HA THR 25 HA THR 25 0.742 -12.276 1.847 154 HB THR 25 HB THR 25 2.350 -11.193 3.761 155 HG1 THR 25 HG1 THR 25 4.218 -10.458 2.772 156 1HG2 THR 25 1HG2 THR 25 2.552 -13.607 2.026 157 2HG2 THR 25 2HG2 THR 25 4.097 -13.098 2.748 158 3HG2 THR 25 3HG2 THR 25 2.707 -13.473 3.794 159 H ILE 26 H ILE 26 -0.345 -11.283 3.772 160 HA ILE 26 HA ILE 26 -1.806 -9.048 2.905 161 HB ILE 26 HB ILE 26 -1.600 -10.312 5.641 162 2HG1 ILE 26 2HG1 ILE 26 -2.223 -11.842 3.728 163 1HG2 ILE 26 1HG2 ILE 26 -3.011 -7.977 4.711 164 2HG2 ILE 26 2HG2 ILE 26 -4.164 -9.239 5.207 165 3HG2 ILE 26 3HG2 ILE 26 -2.918 -8.674 6.346 166 1HD1 ILE 26 1HD1 ILE 26 -4.599 -12.325 4.942 167 2HD1 ILE 26 2HD1 ILE 26 -3.039 -12.751 5.686 168 3HD1 ILE 26 3HD1 ILE 26 -3.871 -11.248 6.158 169 H VAL 27 H VAL 27 -1.705 -6.864 3.434 170 HA VAL 27 HA VAL 27 0.839 -6.063 4.628 171 HB VAL 27 HB VAL 27 -1.194 -4.463 3.059 172 1HG1 VAL 27 1HG1 VAL 27 1.661 -3.843 3.892 173 2HG1 VAL 27 2HG1 VAL 27 0.676 -2.854 2.787 174 3HG1 VAL 27 3HG1 VAL 27 0.180 -3.054 4.485 175 1HG2 VAL 27 1HG2 VAL 27 0.244 -6.497 2.010 176 2HG2 VAL 27 2HG2 VAL 27 -0.181 -5.023 1.107 177 3HG2 VAL 27 3HG2 VAL 27 1.427 -5.175 1.854 178 H LYS 28 H LYS 28 0.819 -5.645 6.772 179 HA LYS 28 HA LYS 28 -1.696 -4.637 7.896 180 2HB LYS 28 2HB LYS 28 -0.306 -5.424 10.065 181 2HG LYS 28 2HG LYS 28 -2.157 -6.881 8.172 182 2HD LYS 28 2HD LYS 28 -1.287 -8.116 10.804 183 2HE LYS 28 2HE LYS 28 -3.194 -8.723 8.697 184 1HZ LYS 28 1HZ LYS 28 -2.513 -11.077 8.456 185 2HZ LYS 28 2HZ LYS 28 -1.439 -10.080 7.747 186 H CYS 29 H CYS 29 -1.715 -2.728 9.099 187 HA CYS 29 HA CYS 29 0.092 -0.788 8.389 188 2HB CYS 29 2HB CYS 29 -1.429 -0.650 10.989 189 HG CYS 29 HG CYS 29 0.390 1.166 9.465 190 H ILE 30 H ILE 30 2.197 -0.425 9.013 191 HA ILE 30 HA ILE 30 3.441 -2.117 10.881 192 HB ILE 30 HB ILE 30 5.357 -0.508 10.565 193 2HG1 ILE 30 2HG1 ILE 30 3.385 1.251 9.742 194 1HG2 ILE 30 1HG2 ILE 30 5.541 -1.113 8.060 195 2HG2 ILE 30 2HG2 ILE 30 5.432 -2.429 9.255 196 3HG2 ILE 30 3HG2 ILE 30 3.998 -1.964 8.309 197 1HD1 ILE 30 1HD1 ILE 30 5.415 2.606 8.920 198 2HD1 ILE 30 2HD1 ILE 30 5.483 2.034 10.605 199 3HD1 ILE 30 3HD1 ILE 30 6.401 1.184 9.339 200 H ILE 31 H ILE 31 1.360 0.549 11.295 201 HA ILE 31 HA ILE 31 2.626 1.601 13.638 202 HB ILE 31 HB ILE 31 -0.166 2.020 12.567 203 2HG1 ILE 31 2HG1 ILE 31 1.018 4.229 11.778 204 1HG2 ILE 31 1HG2 ILE 31 -0.517 3.263 14.368 205 2HG2 ILE 31 2HG2 ILE 31 1.108 2.871 14.979 206 3HG2 ILE 31 3HG2 ILE 31 0.870 4.289 13.930 207 1HD1 ILE 31 1HD1 ILE 31 3.300 2.240 11.490 208 2HD1 ILE 31 2HD1 ILE 31 3.307 3.984 11.135 209 3HD1 ILE 31 3HD1 ILE 31 3.243 3.419 12.822 210 H CYS 32 H CYS 32 -0.757 0.363 13.375 211 HA CYS 32 HA CYS 32 -0.388 -0.819 15.995 212 2HB CYS 32 2HB CYS 32 -2.893 -0.392 14.332 213 HG CYS 32 HG CYS 32 -2.250 -2.470 16.445 214 H GLY 33 H GLY 33 -1.550 -1.658 12.652 215 1HA GLY 33 1HA GLY 33 -0.432 -3.763 11.837 216 2HA GLY 33 2HA GLY 33 -1.070 -4.504 13.292 217 H ARG 34 H ARG 34 -2.795 -1.957 11.451 218 HA ARG 34 HA ARG 34 -4.945 -3.827 11.112 219 2HB ARG 34 2HB ARG 34 -4.875 -1.136 11.724 220 2HG ARG 34 2HG ARG 34 -5.859 -1.297 8.844 221 2HD ARG 34 2HD ARG 34 -6.193 1.026 9.008 222 HE ARG 34 HE ARG 34 -6.744 0.831 11.837 223 1HH1 ARG 34 1HH1 ARG 34 -7.721 -0.534 8.717 224 2HH1 ARG 34 2HH1 ARG 34 -9.310 -0.960 9.261 225 2HH2 ARG 34 2HH2 ARG 34 -9.945 -0.479 11.521 226 H THR 35 H THR 35 -5.893 -4.352 9.030 227 HA THR 35 HA THR 35 -4.027 -4.622 6.939 228 HB THR 35 HB THR 35 -7.078 -4.898 7.037 229 HG1 THR 35 HG1 THR 35 -5.451 -6.147 8.481 230 1HG2 THR 35 1HG2 THR 35 -6.805 -5.265 4.771 231 2HG2 THR 35 2HG2 THR 35 -5.039 -5.422 4.920 232 3HG2 THR 35 3HG2 THR 35 -6.091 -6.808 5.297 233 H VAL 36 H VAL 36 -3.373 -3.295 5.366 234 HA VAL 36 HA VAL 36 -5.021 -0.900 4.931 235 HB VAL 36 HB VAL 36 -2.806 0.068 4.133 236 1HG1 VAL 36 1HG1 VAL 36 -2.266 -0.327 6.955 237 2HG1 VAL 36 2HG1 VAL 36 -2.826 1.129 6.097 238 3HG1 VAL 36 3HG1 VAL 36 -4.005 -0.074 6.671 239 1HG2 VAL 36 1HG2 VAL 36 -1.565 -2.112 5.823 240 2HG2 VAL 36 2HG2 VAL 36 -1.718 -2.255 4.055 241 3HG2 VAL 36 3HG2 VAL 36 -0.764 -0.929 4.762 242 H ALA 37 H ALA 37 -3.674 -3.828 3.616 243 HA ALA 37 HA ALA 37 -5.021 -3.385 1.153 244 1HB ALA 37 1HB ALA 37 -2.973 -3.549 -0.276 245 2HB ALA 37 2HB ALA 37 -3.050 -2.037 0.661 246 3HB ALA 37 3HB ALA 37 -1.976 -3.356 1.185 247 H GLU 38 H GLU 38 -5.471 -5.362 0.164 248 HA GLU 38 HA GLU 38 -4.142 -7.646 1.400 249 2HB GLU 38 2HB GLU 38 -6.769 -8.380 0.458 250 2HG GLU 38 2HG GLU 38 -6.353 -8.058 3.377 251 HE2 GLU 38 HE2 GLU 38 -8.653 -9.693 1.535 252 HA PRO 39 HA PRO 39 -3.311 -8.726 -2.731 253 2HB PRO 39 2HB PRO 39 -1.394 -9.846 -2.122 254 2HG PRO 39 2HG PRO 39 -1.306 -10.469 0.097 255 2HD PRO 39 2HD PRO 39 -2.742 -8.924 1.011 256 H THR 40 H THR 40 -5.907 -8.550 -2.535 257 HA THR 40 HA THR 40 -7.113 -11.125 -2.950 258 HB THR 40 HB THR 40 -8.218 -9.170 -1.786 259 HG1 THR 40 HG1 THR 40 -10.084 -9.992 -2.694 260 1HG2 THR 40 1HG2 THR 40 -7.513 -7.850 -4.318 261 2HG2 THR 40 2HG2 THR 40 -9.269 -7.794 -4.027 262 3HG2 THR 40 3HG2 THR 40 -8.146 -7.128 -2.818 263 H GLY 41 H GLY 41 -8.180 -11.854 -4.872 264 1HA GLY 41 1HA GLY 41 -8.191 -12.337 -7.066 265 2HA GLY 41 2HA GLY 41 -8.112 -10.608 -7.339 266 H GLY 42 H GLY 42 -6.815 -11.205 -9.287 267 1HA GLY 42 1HA GLY 42 -4.358 -12.531 -9.159 268 2HA GLY 42 2HA GLY 42 -4.864 -11.386 -10.386 269 H LYS 43 H LYS 43 -5.039 -8.952 -9.269 270 HA LYS 43 HA LYS 43 -2.338 -8.542 -8.219 271 2HB LYS 43 2HB LYS 43 -2.930 -7.456 -10.367 272 2HG LYS 43 2HG LYS 43 -4.436 -5.240 -9.511 273 2HD LYS 43 2HD LYS 43 -4.892 -7.650 -11.249 274 2HE LYS 43 2HE LYS 43 -7.102 -5.625 -10.671 275 1HZ LYS 43 1HZ LYS 43 -6.795 -7.022 -12.874 276 2HZ LYS 43 2HZ LYS 43 -7.476 -8.213 -11.995 277 H GLY 44 H GLY 44 -1.968 -7.404 -6.298 278 1HA GLY 44 1HA GLY 44 -3.917 -7.641 -4.294 279 2HA GLY 44 2HA GLY 44 -2.418 -6.740 -4.199 280 H ASN 45 H ASN 45 -5.267 -6.122 -3.270 281 HA ASN 45 HA ASN 45 -5.583 -3.654 -4.789 282 2HB ASN 45 2HB ASN 45 -7.856 -4.289 -3.059 283 1HD2 ASN 45 1HD2 ASN 45 -9.822 -4.152 -4.244 284 2HD2 ASN 45 2HD2 ASN 45 -9.893 -3.367 -5.786 285 H ILE 46 H ILE 46 -5.288 -1.735 -3.605 286 HA ILE 46 HA ILE 46 -4.603 -2.022 -0.814 287 HB ILE 46 HB ILE 46 -4.469 0.272 -2.767 288 2HG1 ILE 46 2HG1 ILE 46 -2.677 -1.906 -2.023 289 1HG2 ILE 46 1HG2 ILE 46 -4.165 1.729 -1.122 290 2HG2 ILE 46 2HG2 ILE 46 -4.674 0.469 0.027 291 3HG2 ILE 46 3HG2 ILE 46 -2.947 0.686 -0.350 292 1HD1 ILE 46 1HD1 ILE 46 -3.463 -0.759 -4.334 293 2HD1 ILE 46 2HD1 ILE 46 -2.011 0.224 -4.032 294 3HD1 ILE 46 3HD1 ILE 46 -1.875 -1.546 -4.166 295 H LYS 47 H LYS 47 -6.005 -1.734 0.832 296 HA LYS 47 HA LYS 47 -8.594 -0.571 0.166 297 2HB LYS 47 2HB LYS 47 -9.473 -1.761 1.967 298 2HG LYS 47 2HG LYS 47 -7.289 -3.743 1.579 299 2HD LYS 47 2HD LYS 47 -9.726 -4.532 0.344 300 2HE LYS 47 2HE LYS 47 -8.056 -5.253 2.642 301 1HZ LYS 47 1HZ LYS 47 -9.731 -5.143 4.159 302 2HZ LYS 47 2HZ LYS 47 -10.924 -5.068 3.053 303 H ALA 48 H ALA 48 -6.439 1.255 0.171 304 HA ALA 48 HA ALA 48 -7.286 2.922 2.396 305 1HB ALA 48 1HB ALA 48 -5.015 3.425 3.079 306 2HB ALA 48 2HB ALA 48 -5.238 1.660 3.135 307 3HB ALA 48 3HB ALA 48 -4.351 2.402 1.782 308 H GLU 49 H GLU 49 -6.466 5.239 2.039 309 HA GLU 49 HA GLU 49 -7.041 5.888 -0.647 310 2HB GLU 49 2HB GLU 49 -6.152 7.608 1.709 311 2HG GLU 49 2HG GLU 49 -6.962 8.266 -1.129 312 HE2 GLU 49 HE2 GLU 49 -9.087 9.423 -0.934 313 H ILE 50 H ILE 50 -5.563 5.658 -2.269 314 HA ILE 50 HA ILE 50 -2.763 5.678 -1.664 315 HB ILE 50 HB ILE 50 -4.243 5.470 -4.288 316 2HG1 ILE 50 2HG1 ILE 50 -4.934 3.574 -3.188 317 1HG2 ILE 50 1HG2 ILE 50 -2.218 4.751 -5.283 318 2HG2 ILE 50 2HG2 ILE 50 -1.840 6.249 -4.398 319 3HG2 ILE 50 3HG2 ILE 50 -1.386 4.670 -3.712 320 1HD1 ILE 50 1HD1 ILE 50 -2.174 2.571 -3.962 321 2HD1 ILE 50 2HD1 ILE 50 -3.735 1.724 -4.077 322 3HD1 ILE 50 3HD1 ILE 50 -3.360 3.054 -5.199 323 H ILE 51 H ILE 51 -1.202 7.207 -2.357 324 HA ILE 51 HA ILE 51 -2.382 9.837 -2.873 325 HB ILE 51 HB ILE 51 0.053 8.867 -1.451 326 2HG1 ILE 51 2HG1 ILE 51 -2.192 10.806 -0.898 327 1HG2 ILE 51 1HG2 ILE 51 0.747 11.385 -1.481 328 2HG2 ILE 51 2HG2 ILE 51 1.226 10.308 -2.815 329 3HG2 ILE 51 3HG2 ILE 51 -0.152 11.417 -3.017 330 1HD1 ILE 51 1HD1 ILE 51 -2.458 8.337 -0.408 331 2HD1 ILE 51 2HD1 ILE 51 -1.055 8.456 0.682 332 3HD1 ILE 51 3HD1 ILE 51 -2.541 9.370 1.040 333 H GLU 52 H GLU 52 0.747 8.159 -3.657 334 HA GLU 52 HA GLU 52 0.254 8.255 -6.405 335 2HB GLU 52 2HB GLU 52 2.527 10.101 -5.879 336 2HG GLU 52 2HG GLU 52 0.877 9.353 -8.049 337 HE2 GLU 52 HE2 GLU 52 -1.545 11.634 -8.607 338 H TYR 53 H TYR 53 2.863 8.277 -7.437 339 HA TYR 53 HA TYR 53 3.831 5.797 -6.407 340 2HB TYR 53 2HB TYR 53 5.667 6.553 -8.217 341 HD1 TYR 53 HD1 TYR 53 2.398 7.501 -9.602 342 HD2 TYR 53 HD2 TYR 53 5.088 4.260 -8.852 343 HE1 TYR 53 HE1 TYR 53 1.073 6.023 -11.191 344 HE2 TYR 53 HE2 TYR 53 3.754 2.793 -10.443 345 HH TYR 53 HH TYR 53 1.289 2.777 -11.234 346 H VAL 54 H VAL 54 5.829 5.357 -5.387 347 HA VAL 54 HA VAL 54 6.995 7.717 -4.096 348 HB VAL 54 HB VAL 54 7.864 5.254 -2.949 349 1HG1 VAL 54 1HG1 VAL 54 6.255 7.646 -2.095 350 2HG1 VAL 54 2HG1 VAL 54 6.387 6.237 -1.016 351 3HG1 VAL 54 3HG1 VAL 54 7.855 7.094 -1.542 352 1HG2 VAL 54 1HG2 VAL 54 5.984 4.091 -3.826 353 2HG2 VAL 54 2HG2 VAL 54 5.591 4.468 -2.131 354 3HG2 VAL 54 3HG2 VAL 54 4.881 5.436 -3.445 355 H ASP 55 H ASP 55 9.468 7.067 -3.428 356 HA ASP 55 HA ASP 55 10.665 6.453 -6.002 357 2HB ASP 55 2HB ASP 55 12.462 7.467 -3.897 358 HD2 ASP 55 HD2 ASP 55 11.310 9.904 -5.633 359 H GLN 56 H GLN 56 10.049 5.244 -2.830 360 HA GLN 56 HA GLN 56 12.467 3.816 -2.496 361 2HB GLN 56 2HB GLN 56 10.217 2.699 -1.013 362 2HG GLN 56 2HG GLN 56 11.832 4.354 0.638 363 1HE2 GLN 56 1HE2 GLN 56 13.853 1.899 -0.151 364 2HE2 GLN 56 2HE2 GLN 56 13.255 0.624 0.860 365 H ILE 57 H ILE 57 12.901 2.451 -4.252 366 HA ILE 57 HA ILE 57 10.807 0.767 -5.276 367 HB ILE 57 HB ILE 57 13.743 0.678 -5.941 368 2HG1 ILE 57 2HG1 ILE 57 13.062 3.004 -6.100 369 1HG2 ILE 57 1HG2 ILE 57 11.231 -0.396 -7.132 370 2HG2 ILE 57 2HG2 ILE 57 12.503 0.169 -8.241 371 3HG2 ILE 57 3HG2 ILE 57 12.862 -1.102 -7.048 372 1HD1 ILE 57 1HD1 ILE 57 14.062 3.273 -8.130 373 2HD1 ILE 57 2HD1 ILE 57 14.145 1.496 -8.170 374 3HD1 ILE 57 3HD1 ILE 57 12.798 2.341 -8.968 375 H GLU 58 H GLU 58 11.364 -1.676 -5.561 376 HA GLU 58 HA GLU 58 11.358 -2.798 -3.069 377 2HB GLU 58 2HB GLU 58 12.287 -4.235 -5.585 378 2HG GLU 58 2HG GLU 58 10.268 -5.441 -3.789 379 HE2 GLU 58 HE2 GLU 58 10.574 -7.525 -5.485 Start of MODEL 5 1 1H MET 1 1H MET 1 9.007 -9.052 -14.717 2 HA MET 1 HA MET 1 7.762 -6.819 -15.398 3 2HB MET 1 2HB MET 1 5.566 -8.330 -13.981 4 2HG MET 1 2HG MET 1 5.713 -5.798 -14.932 5 1HE MET 1 1HE MET 1 6.384 -5.068 -18.387 6 2HE MET 1 2HE MET 1 5.273 -4.210 -17.293 7 3HE MET 1 3HE MET 1 6.756 -4.956 -16.650 8 H HIS 2 H HIS 2 9.230 -6.017 -13.854 9 HA HIS 2 HA HIS 2 9.239 -7.041 -11.206 10 2HB HIS 2 2HB HIS 2 10.497 -4.528 -11.226 11 HD1 HIS 2 HD1 HIS 2 12.807 -4.858 -10.221 12 HD2 HIS 2 HD2 HIS 2 11.219 -8.378 -11.861 13 HE1 HIS 2 HE1 HIS 2 14.382 -6.743 -9.530 14 H SER 3 H SER 3 8.291 -6.212 -9.334 15 HA SER 3 HA SER 3 5.938 -4.768 -9.728 16 2HB SER 3 2HB SER 3 6.040 -4.648 -7.123 17 HG SER 3 HG SER 3 5.291 -6.558 -8.737 18 H ARG 4 H ARG 4 5.373 -2.601 -8.958 19 HA ARG 4 HA ARG 4 7.713 -0.886 -8.948 20 2HB ARG 4 2HB ARG 4 5.224 0.592 -9.158 21 2HG ARG 4 2HG ARG 4 6.956 0.020 -11.550 22 2HD ARG 4 2HD ARG 4 5.561 2.390 -10.280 23 HE ARG 4 HE ARG 4 7.520 3.573 -10.860 24 1HH1 ARG 4 1HH1 ARG 4 6.618 1.381 -13.493 25 2HH1 ARG 4 2HH1 ARG 4 7.741 2.072 -14.618 26 2HH2 ARG 4 2HH2 ARG 4 9.130 3.894 -13.920 27 H PHE 5 H PHE 5 7.247 1.297 -7.628 28 HA PHE 5 HA PHE 5 6.369 0.415 -4.991 29 2HB PHE 5 2HB PHE 5 8.569 1.395 -4.983 30 HD1 PHE 5 HD1 PHE 5 6.691 4.297 -6.378 31 HD2 PHE 5 HD2 PHE 5 10.030 1.706 -6.758 32 HE1 PHE 5 HE1 PHE 5 7.563 5.698 -8.268 33 HE2 PHE 5 HE2 PHE 5 10.903 3.108 -8.648 34 HZ PHE 5 HZ PHE 5 9.659 5.087 -9.380 35 H VAL 6 H VAL 6 4.797 1.534 -3.772 36 HA VAL 6 HA VAL 6 3.523 3.820 -5.033 37 HB VAL 6 HB VAL 6 1.488 2.893 -5.362 38 1HG1 VAL 6 1HG1 VAL 6 3.138 1.647 -6.757 39 2HG1 VAL 6 2HG1 VAL 6 3.159 0.363 -5.525 40 3HG1 VAL 6 3HG1 VAL 6 1.658 0.720 -6.413 41 1HG2 VAL 6 1HG2 VAL 6 0.900 2.252 -3.168 42 2HG2 VAL 6 2HG2 VAL 6 0.721 0.774 -4.142 43 3HG2 VAL 6 3HG2 VAL 6 2.153 0.989 -3.107 44 H LYS 7 H LYS 7 3.095 5.356 -3.519 45 HA LYS 7 HA LYS 7 3.438 4.553 -0.740 46 2HB LYS 7 2HB LYS 7 3.753 7.087 -2.291 47 2HG LYS 7 2HG LYS 7 3.100 6.900 0.687 48 2HD LYS 7 2HD LYS 7 3.505 9.481 0.460 49 2HE LYS 7 2HE LYS 7 5.889 7.568 0.389 50 1HZ LYS 7 1HZ LYS 7 6.778 9.384 1.880 51 2HZ LYS 7 2HZ LYS 7 6.641 9.815 0.316 52 H VAL 8 H VAL 8 1.731 4.239 0.583 53 HA VAL 8 HA VAL 8 -0.791 5.526 -0.200 54 HB VAL 8 HB VAL 8 -1.875 3.475 0.804 55 1HG1 VAL 8 1HG1 VAL 8 -1.470 4.048 -1.705 56 2HG1 VAL 8 2HG1 VAL 8 -0.274 2.732 -1.638 57 3HG1 VAL 8 3HG1 VAL 8 -1.982 2.402 -1.261 58 1HG2 VAL 8 1HG2 VAL 8 0.794 2.141 0.300 59 2HG2 VAL 8 2HG2 VAL 8 0.292 2.707 1.910 60 3HG2 VAL 8 3HG2 VAL 8 -0.659 1.459 1.069 61 H LYS 9 H LYS 9 -2.347 5.629 1.761 62 HA LYS 9 HA LYS 9 -0.826 5.954 4.238 63 2HB LYS 9 2HB LYS 9 -2.494 8.047 2.843 64 2HG LYS 9 2HG LYS 9 -1.534 8.181 5.729 65 2HD LYS 9 2HD LYS 9 -3.837 9.802 5.013 66 2HE LYS 9 2HE LYS 9 -1.210 10.047 6.331 67 1HZ LYS 9 1HZ LYS 9 -0.899 12.352 5.857 68 2HZ LYS 9 2HZ LYS 9 -0.998 11.633 4.400 69 H CYS 10 H CYS 10 -1.910 5.282 6.070 70 HA CYS 10 HA CYS 10 -4.192 3.679 5.630 71 2HB CYS 10 2HB CYS 10 -3.278 4.529 8.371 72 HG CYS 10 HG CYS 10 -4.599 1.990 6.755 73 HA PRO 11 HA PRO 11 -7.091 6.909 6.218 74 2HB PRO 11 2HB PRO 11 -8.552 5.974 4.704 75 2HG PRO 11 2HG PRO 11 -8.174 3.745 4.251 76 2HD PRO 11 2HD PRO 11 -5.943 3.594 4.785 77 H ASP 12 H ASP 12 -7.180 4.042 8.206 78 HA ASP 12 HA ASP 12 -8.694 5.422 10.189 79 2HB ASP 12 2HB ASP 12 -7.208 2.913 10.873 80 HD2 ASP 12 HD2 ASP 12 -11.011 3.743 11.830 81 H CYS 13 H CYS 13 -5.318 4.254 9.614 82 HA CYS 13 HA CYS 13 -4.389 5.135 12.152 83 2HB CYS 13 2HB CYS 13 -2.333 4.773 10.097 84 HG CYS 13 HG CYS 13 -2.953 2.581 12.400 85 H GLU 14 H GLU 14 -4.741 6.432 8.854 86 HA GLU 14 HA GLU 14 -4.554 8.445 8.055 87 2HB GLU 14 2HB GLU 14 -4.400 10.426 9.570 88 2HG GLU 14 2HG GLU 14 -6.244 8.470 10.952 89 HE2 GLU 14 HE2 GLU 14 -8.133 10.985 11.798 90 H HIS 15 H HIS 15 -2.136 6.604 9.117 91 HA HIS 15 HA HIS 15 -0.042 8.606 8.834 92 2HB HIS 15 2HB HIS 15 0.280 5.678 9.520 93 HD1 HIS 15 HD1 HIS 15 1.747 9.115 10.444 94 HD2 HIS 15 HD2 HIS 15 2.959 5.223 9.452 95 HE1 HIS 15 HE1 HIS 15 4.298 9.115 10.533 96 H GLU 16 H GLU 16 1.687 8.320 7.267 97 HA GLU 16 HA GLU 16 0.651 7.115 4.870 98 2HB GLU 16 2HB GLU 16 2.642 8.266 3.804 99 2HG GLU 16 2HG GLU 16 0.516 9.680 5.399 100 HE2 GLU 16 HE2 GLU 16 1.192 11.498 6.329 101 H GLN 17 H GLN 17 1.594 5.365 3.765 102 HA GLN 17 HA GLN 17 4.025 4.287 4.896 103 2HB GLN 17 2HB GLN 17 2.450 1.999 4.433 104 2HG GLN 17 2HG GLN 17 3.180 3.484 6.997 105 1HE2 GLN 17 1HE2 GLN 17 2.771 0.154 5.809 106 2HE2 GLN 17 2HE2 GLN 17 1.778 -0.423 7.106 107 H VAL 18 H VAL 18 5.008 2.582 3.439 108 HA VAL 18 HA VAL 18 4.105 2.992 0.671 109 HB VAL 18 HB VAL 18 6.918 2.721 1.752 110 1HG1 VAL 18 1HG1 VAL 18 5.800 2.728 -1.043 111 2HG1 VAL 18 2HG1 VAL 18 7.420 3.396 -0.725 112 3HG1 VAL 18 3HG1 VAL 18 7.063 1.697 -0.327 113 1HG2 VAL 18 1HG2 VAL 18 5.908 4.924 2.188 114 2HG2 VAL 18 2HG2 VAL 18 7.222 5.028 0.991 115 3HG2 VAL 18 3HG2 VAL 18 5.525 5.090 0.458 116 H ILE 19 H ILE 19 3.235 1.156 -0.127 117 HA ILE 19 HA ILE 19 4.511 -1.360 0.684 118 HB ILE 19 HB ILE 19 2.283 -2.408 0.630 119 2HG1 ILE 19 2HG1 ILE 19 1.450 -0.142 -0.680 120 1HG2 ILE 19 1HG2 ILE 19 3.360 -1.677 2.739 121 2HG2 ILE 19 2HG2 ILE 19 2.478 -0.135 2.623 122 3HG2 ILE 19 3HG2 ILE 19 1.582 -1.661 2.814 123 1HD1 ILE 19 1HD1 ILE 19 0.305 -2.607 0.393 124 2HD1 ILE 19 2HD1 ILE 19 -0.877 -1.277 0.453 125 3HD1 ILE 19 3HD1 ILE 19 -0.118 -1.724 -1.093 126 H PHE 20 H PHE 20 3.974 -3.167 -0.946 127 HA PHE 20 HA PHE 20 4.509 -2.069 -3.558 128 2HB PHE 20 2HB PHE 20 4.933 -4.494 -4.047 129 HD1 PHE 20 HD1 PHE 20 6.992 -2.845 -3.765 130 HD2 PHE 20 HD2 PHE 20 5.500 -5.387 -0.712 131 HE1 PHE 20 HE1 PHE 20 9.211 -2.743 -2.596 132 HE2 PHE 20 HE2 PHE 20 7.718 -5.285 0.457 133 HZ PHE 20 HZ PHE 20 9.547 -3.965 -0.499 134 H ASP 21 H ASP 21 3.298 -2.639 -5.489 135 HA ASP 21 HA ASP 21 0.507 -2.696 -4.938 136 2HB ASP 21 2HB ASP 21 1.440 -1.273 -6.738 137 HD2 ASP 21 HD2 ASP 21 2.441 -1.791 -9.540 138 H HIS 22 H HIS 22 2.876 -5.042 -5.045 139 HA HIS 22 HA HIS 22 0.946 -7.064 -5.830 140 2HB HIS 22 2HB HIS 22 3.688 -7.556 -6.827 141 HD1 HIS 22 HD1 HIS 22 0.540 -6.949 -8.863 142 HD2 HIS 22 HD2 HIS 22 2.845 -10.145 -7.427 143 HE1 HIS 22 HE1 HIS 22 -0.363 -9.048 -9.999 144 HA PRO 23 HA PRO 23 3.342 -7.929 -2.049 145 2HB PRO 23 2HB PRO 23 2.298 -6.537 -0.539 146 2HG PRO 23 2HG PRO 23 0.394 -5.508 -1.335 147 2HD PRO 23 2HD PRO 23 0.814 -5.565 -3.595 148 H SER 24 H SER 24 0.072 -9.126 -2.646 149 HA SER 24 HA SER 24 -0.482 -11.203 -3.207 150 2HB SER 24 2HB SER 24 2.059 -12.428 -2.127 151 HG SER 24 HG SER 24 0.580 -13.903 -3.007 152 H THR 25 H THR 25 1.291 -10.479 -0.186 153 HA THR 25 HA THR 25 -0.526 -12.281 1.266 154 HB THR 25 HB THR 25 1.406 -11.584 3.065 155 HG1 THR 25 HG1 THR 25 2.662 -11.694 0.427 156 1HG2 THR 25 1HG2 THR 25 2.799 -13.476 1.550 157 2HG2 THR 25 2HG2 THR 25 1.588 -13.861 2.797 158 3HG2 THR 25 3HG2 THR 25 1.106 -13.775 1.085 159 H ILE 26 H ILE 26 -1.280 -11.500 3.429 160 HA ILE 26 HA ILE 26 -2.624 -9.061 3.072 161 HB ILE 26 HB ILE 26 -2.209 -10.724 5.558 162 2HG1 ILE 26 2HG1 ILE 26 -3.195 -11.911 3.559 163 1HG2 ILE 26 1HG2 ILE 26 -3.000 -8.285 5.797 164 2HG2 ILE 26 2HG2 ILE 26 -4.511 -8.851 5.043 165 3HG2 ILE 26 3HG2 ILE 26 -3.959 -9.568 6.575 166 1HD1 ILE 26 1HD1 ILE 26 -4.479 -11.548 6.239 167 2HD1 ILE 26 2HD1 ILE 26 -5.458 -12.361 4.995 168 3HD1 ILE 26 3HD1 ILE 26 -3.874 -13.028 5.458 169 H VAL 27 H VAL 27 -2.258 -6.991 3.870 170 HA VAL 27 HA VAL 27 0.392 -6.625 5.085 171 HB VAL 27 HB VAL 27 -1.203 -4.830 3.248 172 1HG1 VAL 27 1HG1 VAL 27 1.603 -4.287 4.227 173 2HG1 VAL 27 2HG1 VAL 27 0.452 -3.176 3.447 174 3HG1 VAL 27 3HG1 VAL 27 0.175 -3.712 5.121 175 1HG2 VAL 27 1HG2 VAL 27 1.111 -5.176 1.959 176 2HG2 VAL 27 2HG2 VAL 27 1.089 -6.709 2.865 177 3HG2 VAL 27 3HG2 VAL 27 -0.257 -6.299 1.772 178 H LYS 28 H LYS 28 0.258 -6.177 7.219 179 HA LYS 28 HA LYS 28 -2.186 -4.869 8.154 180 2HB LYS 28 2HB LYS 28 -0.955 -5.631 10.422 181 2HG LYS 28 2HG LYS 28 -2.914 -6.870 8.556 182 2HD LYS 28 2HD LYS 28 -1.583 -8.509 10.767 183 2HE LYS 28 2HE LYS 28 -4.248 -8.604 9.597 184 1HZ LYS 28 1HZ LYS 28 -2.804 -11.165 9.348 185 2HZ LYS 28 2HZ LYS 28 -4.247 -10.753 8.713 186 H CYS 29 H CYS 29 -2.131 -2.917 9.297 187 HA CYS 29 HA CYS 29 -0.199 -1.111 8.569 188 2HB CYS 29 2HB CYS 29 -1.723 -0.750 11.136 189 HG CYS 29 HG CYS 29 0.129 0.879 9.449 190 H ILE 30 H ILE 30 1.908 -0.842 9.231 191 HA ILE 30 HA ILE 30 3.003 -2.529 11.201 192 HB ILE 30 HB ILE 30 5.058 -1.356 10.768 193 2HG1 ILE 30 2HG1 ILE 30 3.653 0.925 10.587 194 1HG2 ILE 30 1HG2 ILE 30 4.738 -2.927 9.115 195 2HG2 ILE 30 2HG2 ILE 30 3.313 -2.099 8.446 196 3HG2 ILE 30 3HG2 ILE 30 4.942 -1.443 8.155 197 1HD1 ILE 30 1HD1 ILE 30 5.693 1.973 10.041 198 2HD1 ILE 30 2HD1 ILE 30 6.231 0.410 10.701 199 3HD1 ILE 30 3HD1 ILE 30 6.182 0.662 8.940 200 H ILE 31 H ILE 31 1.090 0.280 11.437 201 HA ILE 31 HA ILE 31 2.377 1.370 13.752 202 HB ILE 31 HB ILE 31 -0.401 1.923 12.719 203 2HG1 ILE 31 2HG1 ILE 31 0.711 3.816 11.464 204 1HG2 ILE 31 1HG2 ILE 31 0.859 4.239 13.704 205 2HG2 ILE 31 2HG2 ILE 31 -0.485 3.328 14.432 206 3HG2 ILE 31 3HG2 ILE 31 1.194 2.951 14.886 207 1HD1 ILE 31 1HD1 ILE 31 3.101 3.289 10.771 208 2HD1 ILE 31 2HD1 ILE 31 2.924 3.834 12.456 209 3HD1 ILE 31 3HD1 ILE 31 3.155 2.106 12.100 210 H CYS 32 H CYS 32 -1.050 0.252 13.429 211 HA CYS 32 HA CYS 32 -0.811 -0.793 16.129 212 2HB CYS 32 2HB CYS 32 -3.159 -0.047 14.383 213 HG CYS 32 HG CYS 32 -4.400 -1.964 15.116 214 H GLY 33 H GLY 33 -1.976 -1.713 12.809 215 1HA GLY 33 1HA GLY 33 -0.975 -3.915 12.106 216 2HA GLY 33 2HA GLY 33 -1.676 -4.550 13.582 217 H ARG 34 H ARG 34 -3.244 -1.982 11.645 218 HA ARG 34 HA ARG 34 -5.478 -3.751 11.325 219 2HB ARG 34 2HB ARG 34 -5.299 -1.064 11.885 220 2HG ARG 34 2HG ARG 34 -6.182 -1.219 8.970 221 2HD ARG 34 2HD ARG 34 -6.433 1.115 9.094 222 HE ARG 34 HE ARG 34 -7.028 0.794 11.956 223 1HH1 ARG 34 1HH1 ARG 34 -8.141 0.151 8.655 224 2HH1 ARG 34 2HH1 ARG 34 -9.801 -0.035 9.118 225 2HH2 ARG 34 2HH2 ARG 34 -10.409 0.204 11.423 226 H THR 35 H THR 35 -6.454 -4.241 9.234 227 HA THR 35 HA THR 35 -4.589 -4.708 7.182 228 HB THR 35 HB THR 35 -7.627 -4.632 6.903 229 HG1 THR 35 HG1 THR 35 -7.433 -5.911 8.721 230 1HG2 THR 35 1HG2 THR 35 -6.208 -7.051 6.077 231 2HG2 THR 35 2HG2 THR 35 -7.240 -5.980 5.098 232 3HG2 THR 35 3HG2 THR 35 -5.505 -5.626 5.274 233 H VAL 36 H VAL 36 -3.783 -3.468 5.612 234 HA VAL 36 HA VAL 36 -5.222 -0.962 5.076 235 HB VAL 36 HB VAL 36 -2.892 -0.213 4.317 236 1HG1 VAL 36 1HG1 VAL 36 -2.897 0.952 6.225 237 2HG1 VAL 36 2HG1 VAL 36 -4.240 -0.082 6.768 238 3HG1 VAL 36 3HG1 VAL 36 -2.563 -0.503 7.192 239 1HG2 VAL 36 1HG2 VAL 36 -2.033 -2.652 4.464 240 2HG2 VAL 36 2HG2 VAL 36 -0.982 -1.344 5.059 241 3HG2 VAL 36 3HG2 VAL 36 -1.900 -2.342 6.213 242 H ALA 37 H ALA 37 -3.570 -3.850 3.781 243 HA ALA 37 HA ALA 37 -4.916 -3.370 1.253 244 1HB ALA 37 1HB ALA 37 -1.964 -3.259 1.702 245 2HB ALA 37 2HB ALA 37 -2.529 -4.149 0.268 246 3HB ALA 37 3HB ALA 37 -2.967 -2.438 0.482 247 H GLU 38 H GLU 38 -5.581 -5.285 0.286 248 HA GLU 38 HA GLU 38 -4.565 -7.710 1.543 249 2HB GLU 38 2HB GLU 38 -7.310 -8.069 0.685 250 2HG GLU 38 2HG GLU 38 -7.247 -8.125 3.475 251 HE2 GLU 38 HE2 GLU 38 -6.660 -11.228 3.646 252 HA PRO 39 HA PRO 39 -4.025 -8.883 -2.612 253 2HB PRO 39 2HB PRO 39 -2.235 -10.227 -2.069 254 2HG PRO 39 2HG PRO 39 -2.139 -10.852 0.149 255 2HD PRO 39 2HD PRO 39 -3.343 -9.144 1.107 256 H THR 40 H THR 40 -5.781 -8.689 -3.873 257 HA THR 40 HA THR 40 -7.798 -10.792 -3.465 258 HB THR 40 HB THR 40 -8.347 -8.262 -3.223 259 HG1 THR 40 HG1 THR 40 -9.568 -9.922 -5.317 260 1HG2 THR 40 1HG2 THR 40 -8.540 -8.359 -6.249 261 2HG2 THR 40 2HG2 THR 40 -8.558 -6.941 -5.174 262 3HG2 THR 40 3HG2 THR 40 -7.029 -7.794 -5.496 263 H GLY 41 H GLY 41 -7.509 -12.510 -4.740 264 1HA GLY 41 1HA GLY 41 -6.953 -13.739 -6.548 265 2HA GLY 41 2HA GLY 41 -7.825 -12.509 -7.441 266 H GLY 42 H GLY 42 -6.698 -11.560 -9.076 267 1HA GLY 42 1HA GLY 42 -3.782 -11.775 -9.059 268 2HA GLY 42 2HA GLY 42 -4.815 -11.373 -10.416 269 H LYS 43 H LYS 43 -2.480 -10.084 -8.517 270 HA LYS 43 HA LYS 43 -1.753 -8.014 -8.228 271 2HB LYS 43 2HB LYS 43 -4.210 -7.027 -9.703 272 2HG LYS 43 2HG LYS 43 -1.600 -5.847 -8.790 273 2HD LYS 43 2HD LYS 43 -2.982 -5.017 -11.385 274 2HE LYS 43 2HE LYS 43 -0.385 -3.900 -11.136 275 1HZ LYS 43 1HZ LYS 43 -2.316 -2.023 -10.424 276 2HZ LYS 43 2HZ LYS 43 -1.690 -2.263 -11.908 277 H GLY 44 H GLY 44 -1.718 -7.547 -6.096 278 1HA GLY 44 1HA GLY 44 -3.880 -7.739 -4.366 279 2HA GLY 44 2HA GLY 44 -2.397 -6.854 -4.070 280 H ASN 45 H ASN 45 -5.005 -6.022 -3.150 281 HA ASN 45 HA ASN 45 -5.317 -3.632 -4.792 282 2HB ASN 45 2HB ASN 45 -7.620 -4.221 -3.060 283 1HD2 ASN 45 1HD2 ASN 45 -9.597 -4.340 -4.445 284 2HD2 ASN 45 2HD2 ASN 45 -9.639 -3.389 -5.893 285 H ILE 46 H ILE 46 -5.068 -1.677 -3.642 286 HA ILE 46 HA ILE 46 -4.362 -1.916 -0.851 287 HB ILE 46 HB ILE 46 -4.289 0.378 -2.812 288 2HG1 ILE 46 2HG1 ILE 46 -2.427 -1.778 -2.079 289 1HG2 ILE 46 1HG2 ILE 46 -2.690 0.740 -0.424 290 2HG2 ILE 46 2HG2 ILE 46 -3.891 1.820 -1.170 291 3HG2 ILE 46 3HG2 ILE 46 -4.415 0.562 -0.024 292 1HD1 ILE 46 1HD1 ILE 46 -3.316 -1.155 -4.399 293 2HD1 ILE 46 2HD1 ILE 46 -2.308 0.308 -4.296 294 3HD1 ILE 46 3HD1 ILE 46 -1.547 -1.301 -4.272 295 H LYS 47 H LYS 47 -5.807 -1.718 0.765 296 HA LYS 47 HA LYS 47 -8.385 -0.529 0.112 297 2HB LYS 47 2HB LYS 47 -9.271 -1.750 1.888 298 2HG LYS 47 2HG LYS 47 -7.081 -3.721 1.486 299 2HD LYS 47 2HD LYS 47 -9.641 -3.992 2.176 300 2HE LYS 47 2HE LYS 47 -9.739 -4.128 -0.877 301 1HZ LYS 47 1HZ LYS 47 -11.952 -4.460 1.067 302 2HZ LYS 47 2HZ LYS 47 -11.990 -4.767 -0.531 303 H ALA 48 H ALA 48 -6.204 1.284 0.170 304 HA ALA 48 HA ALA 48 -7.078 2.926 2.405 305 1HB ALA 48 1HB ALA 48 -4.822 3.399 3.139 306 2HB ALA 48 2HB ALA 48 -5.039 1.632 3.140 307 3HB ALA 48 3HB ALA 48 -4.135 2.417 1.823 308 H GLU 49 H GLU 49 -6.230 5.242 2.092 309 HA GLU 49 HA GLU 49 -6.772 5.935 -0.590 310 2HB GLU 49 2HB GLU 49 -5.902 7.609 1.806 311 2HG GLU 49 2HG GLU 49 -6.737 8.349 -1.018 312 HE2 GLU 49 HE2 GLU 49 -8.204 11.269 -0.261 313 H ILE 50 H ILE 50 -5.291 5.782 -2.215 314 HA ILE 50 HA ILE 50 -2.486 5.786 -1.561 315 HB ILE 50 HB ILE 50 -3.880 5.559 -4.231 316 2HG1 ILE 50 2HG1 ILE 50 -4.716 3.708 -3.165 317 1HG2 ILE 50 1HG2 ILE 50 -1.875 4.976 -5.178 318 2HG2 ILE 50 2HG2 ILE 50 -1.335 6.180 -3.984 319 3HG2 ILE 50 3HG2 ILE 50 -1.167 4.442 -3.635 320 1HD1 ILE 50 1HD1 ILE 50 -2.943 3.118 -5.028 321 2HD1 ILE 50 2HD1 ILE 50 -1.977 2.517 -3.659 322 3HD1 ILE 50 3HD1 ILE 50 -3.581 1.820 -3.991 323 H ILE 51 H ILE 51 -1.054 7.449 -1.817 324 HA ILE 51 HA ILE 51 -2.217 10.011 -2.494 325 HB ILE 51 HB ILE 51 0.284 9.058 -1.165 326 2HG1 ILE 51 2HG1 ILE 51 -2.000 10.903 -0.458 327 1HG2 ILE 51 1HG2 ILE 51 -0.113 11.877 -2.205 328 2HG2 ILE 51 2HG2 ILE 51 1.224 11.299 -1.183 329 3HG2 ILE 51 3HG2 ILE 51 1.045 10.687 -2.844 330 1HD1 ILE 51 1HD1 ILE 51 -2.729 8.991 0.518 331 2HD1 ILE 51 2HD1 ILE 51 -1.212 8.148 0.125 332 3HD1 ILE 51 3HD1 ILE 51 -1.334 9.110 1.618 333 H GLU 52 H GLU 52 0.716 8.091 -3.470 334 HA GLU 52 HA GLU 52 0.238 8.285 -6.151 335 2HB GLU 52 2HB GLU 52 2.468 10.178 -5.871 336 2HG GLU 52 2HG GLU 52 0.052 11.132 -7.223 337 HE2 GLU 52 HE2 GLU 52 2.407 10.495 -9.962 338 H TYR 53 H TYR 53 2.854 8.453 -7.228 339 HA TYR 53 HA TYR 53 3.930 5.997 -6.253 340 2HB TYR 53 2HB TYR 53 5.706 6.787 -8.063 341 HD1 TYR 53 HD1 TYR 53 3.899 4.523 -7.818 342 HD2 TYR 53 HD2 TYR 53 3.604 7.951 -10.360 343 HE1 TYR 53 HE1 TYR 53 2.504 3.186 -9.471 344 HE2 TYR 53 HE2 TYR 53 2.209 6.604 -12.004 345 HH TYR 53 HH TYR 53 1.282 4.709 -12.443 346 H VAL 54 H VAL 54 5.950 5.618 -5.251 347 HA VAL 54 HA VAL 54 6.870 7.872 -3.678 348 HB VAL 54 HB VAL 54 8.220 5.292 -3.369 349 1HG1 VAL 54 1HG1 VAL 54 8.563 6.738 -1.601 350 2HG1 VAL 54 2HG1 VAL 54 6.899 7.365 -1.644 351 3HG1 VAL 54 3HG1 VAL 54 7.224 5.747 -0.976 352 1HG2 VAL 54 1HG2 VAL 54 5.215 5.445 -3.302 353 2HG2 VAL 54 2HG2 VAL 54 6.272 4.161 -3.936 354 3HG2 VAL 54 3HG2 VAL 54 6.083 4.372 -2.178 355 H ASP 55 H ASP 55 9.428 7.826 -3.319 356 HA ASP 55 HA ASP 55 10.494 8.018 -6.008 357 2HB ASP 55 2HB ASP 55 11.940 8.996 -3.540 358 HD2 ASP 55 HD2 ASP 55 13.086 11.651 -5.531 359 H GLN 56 H GLN 56 10.528 6.127 -3.097 360 HA GLN 56 HA GLN 56 13.216 5.260 -3.275 361 2HB GLN 56 2HB GLN 56 12.064 3.361 -1.726 362 2HG GLN 56 2HG GLN 56 12.023 5.742 -0.122 363 1HE2 GLN 56 1HE2 GLN 56 12.894 5.127 1.703 364 2HE2 GLN 56 2HE2 GLN 56 14.054 3.863 1.938 365 H ILE 57 H ILE 57 13.552 4.481 -5.418 366 HA ILE 57 HA ILE 57 11.791 2.610 -6.599 367 HB ILE 57 HB ILE 57 14.668 3.211 -7.287 368 2HG1 ILE 57 2HG1 ILE 57 13.117 5.233 -7.064 369 1HG2 ILE 57 1HG2 ILE 57 12.413 1.814 -8.691 370 2HG2 ILE 57 2HG2 ILE 57 13.648 2.682 -9.633 371 3HG2 ILE 57 3HG2 ILE 57 14.127 1.356 -8.548 372 1HD1 ILE 57 1HD1 ILE 57 14.169 4.720 -9.875 373 2HD1 ILE 57 2HD1 ILE 57 14.048 6.276 -9.020 374 3HD1 ILE 57 3HD1 ILE 57 15.242 5.063 -8.497 375 H GLU 58 H GLU 58 12.752 0.389 -7.393 376 HA GLU 58 HA GLU 58 13.144 -1.104 -5.068 377 2HB GLU 58 2HB GLU 58 13.745 -2.129 -7.858 378 2HG GLU 58 2HG GLU 58 13.640 -3.403 -5.419 379 HE2 GLU 58 HE2 GLU 58 12.104 -4.706 -4.368 Start of MODEL 6 1 1H MET 1 1H MET 1 8.139 -5.608 -15.455 2 HA MET 1 HA MET 1 8.743 -7.641 -14.940 3 2HB MET 1 2HB MET 1 11.451 -7.397 -13.943 4 2HG MET 1 2HG MET 1 9.993 -8.784 -16.003 5 1HE MET 1 1HE MET 1 10.306 -8.590 -19.103 6 2HE MET 1 2HE MET 1 11.858 -9.459 -19.071 7 3HE MET 1 3HE MET 1 10.594 -9.853 -17.883 8 H HIS 2 H HIS 2 10.433 -5.332 -12.692 9 HA HIS 2 HA HIS 2 9.604 -7.016 -10.475 10 2HB HIS 2 2HB HIS 2 11.098 -5.543 -9.145 11 HD1 HIS 2 HD1 HIS 2 13.248 -5.496 -12.158 12 HD2 HIS 2 HD2 HIS 2 12.124 -8.272 -9.220 13 HE1 HIS 2 HE1 HIS 2 14.915 -7.421 -12.319 14 H SER 3 H SER 3 8.162 -6.353 -8.864 15 HA SER 3 HA SER 3 6.074 -4.840 -9.534 16 2HB SER 3 2HB SER 3 5.604 -4.625 -7.093 17 HG SER 3 HG SER 3 5.901 -6.922 -6.554 18 H ARG 4 H ARG 4 5.315 -2.647 -8.742 19 HA ARG 4 HA ARG 4 7.552 -0.814 -8.923 20 2HB ARG 4 2HB ARG 4 4.976 0.520 -9.023 21 2HG ARG 4 2HG ARG 4 7.411 0.163 -10.692 22 2HD ARG 4 2HD ARG 4 5.550 1.474 -12.410 23 HE ARG 4 HE ARG 4 7.555 -0.436 -12.677 24 1HH1 ARG 4 1HH1 ARG 4 4.276 -0.092 -13.973 25 2HH1 ARG 4 2HH1 ARG 4 4.626 -0.962 -15.429 26 2HH2 ARG 4 2HH2 ARG 4 6.833 -1.829 -15.776 27 H PHE 5 H PHE 5 7.079 1.391 -7.661 28 HA PHE 5 HA PHE 5 6.330 0.594 -4.950 29 2HB PHE 5 2HB PHE 5 8.546 1.518 -5.023 30 HD1 PHE 5 HD1 PHE 5 6.777 4.448 -6.485 31 HD2 PHE 5 HD2 PHE 5 9.930 1.638 -6.891 32 HE1 PHE 5 HE1 PHE 5 7.653 5.718 -8.465 33 HE2 PHE 5 HE2 PHE 5 10.806 2.907 -8.872 34 HZ PHE 5 HZ PHE 5 9.658 4.932 -9.635 35 H VAL 6 H VAL 6 4.748 1.690 -3.771 36 HA VAL 6 HA VAL 6 3.541 4.034 -4.999 37 HB VAL 6 HB VAL 6 1.464 3.169 -5.305 38 1HG1 VAL 6 1HG1 VAL 6 3.207 0.707 -5.662 39 2HG1 VAL 6 2HG1 VAL 6 1.600 0.957 -6.385 40 3HG1 VAL 6 3HG1 VAL 6 2.959 2.007 -6.853 41 1HG2 VAL 6 1HG2 VAL 6 2.150 1.132 -3.174 42 2HG2 VAL 6 2HG2 VAL 6 0.922 2.420 -3.128 43 3HG2 VAL 6 3HG2 VAL 6 0.688 1.005 -4.182 44 H LYS 7 H LYS 7 3.053 5.546 -3.469 45 HA LYS 7 HA LYS 7 3.436 4.718 -0.703 46 2HB LYS 7 2HB LYS 7 3.730 7.255 -2.237 47 2HG LYS 7 2HG LYS 7 3.040 7.095 0.734 48 2HD LYS 7 2HD LYS 7 3.395 9.632 0.581 49 2HE LYS 7 2HE LYS 7 5.841 7.850 0.148 50 1HZ LYS 7 1HZ LYS 7 6.423 9.878 1.874 51 2HZ LYS 7 2HZ LYS 7 6.881 9.831 0.312 52 H VAL 8 H VAL 8 1.731 4.296 0.586 53 HA VAL 8 HA VAL 8 -0.815 5.569 -0.148 54 HB VAL 8 HB VAL 8 -1.830 3.475 0.883 55 1HG1 VAL 8 1HG1 VAL 8 -1.465 4.130 -1.647 56 2HG1 VAL 8 2HG1 VAL 8 -0.341 2.749 -1.620 57 3HG1 VAL 8 3HG1 VAL 8 -2.054 2.512 -1.202 58 1HG2 VAL 8 1HG2 VAL 8 -0.591 1.563 1.248 59 2HG2 VAL 8 2HG2 VAL 8 0.718 2.067 0.153 60 3HG2 VAL 8 3HG2 VAL 8 0.567 2.813 1.762 61 H LYS 9 H LYS 9 -2.357 5.644 1.817 62 HA LYS 9 HA LYS 9 -0.842 5.946 4.297 63 2HB LYS 9 2HB LYS 9 -2.276 8.084 2.787 64 2HG LYS 9 2HG LYS 9 -2.192 7.852 5.833 65 2HD LYS 9 2HD LYS 9 -2.801 10.183 3.968 66 2HE LYS 9 2HE LYS 9 -3.438 9.977 6.950 67 1HZ LYS 9 1HZ LYS 9 -4.306 12.092 5.086 68 2HZ LYS 9 2HZ LYS 9 -4.196 12.160 6.710 69 H CYS 10 H CYS 10 -1.929 5.224 6.100 70 HA CYS 10 HA CYS 10 -4.243 3.681 5.628 71 2HB CYS 10 2HB CYS 10 -3.479 4.381 8.423 72 HG CYS 10 HG CYS 10 -4.836 2.513 8.928 73 HA PRO 11 HA PRO 11 -7.070 6.961 6.303 74 2HB PRO 11 2HB PRO 11 -8.538 6.118 4.743 75 2HG PRO 11 2HG PRO 11 -8.205 3.899 4.206 76 2HD PRO 11 2HD PRO 11 -5.983 3.676 4.752 77 H ASP 12 H ASP 12 -7.239 4.022 8.178 78 HA ASP 12 HA ASP 12 -8.748 5.349 10.198 79 2HB ASP 12 2HB ASP 12 -8.322 3.184 11.466 80 HD2 ASP 12 HD2 ASP 12 -9.587 1.274 8.459 81 H CYS 13 H CYS 13 -5.373 4.225 9.576 82 HA CYS 13 HA CYS 13 -4.463 4.999 12.166 83 2HB CYS 13 2HB CYS 13 -2.413 4.649 10.087 84 HG CYS 13 HG CYS 13 -2.289 4.773 12.876 85 H GLU 14 H GLU 14 -4.779 6.385 8.904 86 HA GLU 14 HA GLU 14 -4.560 8.416 8.158 87 2HB GLU 14 2HB GLU 14 -4.383 10.355 9.726 88 2HG GLU 14 2HG GLU 14 -6.259 8.345 11.004 89 HE2 GLU 14 HE2 GLU 14 -8.339 10.082 9.922 90 H HIS 15 H HIS 15 -2.174 6.513 9.173 91 HA HIS 15 HA HIS 15 -0.050 8.491 8.954 92 2HB HIS 15 2HB HIS 15 0.271 5.543 9.524 93 HD1 HIS 15 HD1 HIS 15 2.727 5.335 8.959 94 HD2 HIS 15 HD2 HIS 15 1.873 8.759 11.226 95 HE1 HIS 15 HE1 HIS 15 4.980 6.355 9.589 96 H GLU 16 H GLU 16 1.679 8.229 7.384 97 HA GLU 16 HA GLU 16 0.633 7.096 4.952 98 2HB GLU 16 2HB GLU 16 2.637 8.270 3.921 99 2HG GLU 16 2HG GLU 16 0.560 9.713 5.588 100 HE2 GLU 16 HE2 GLU 16 2.727 10.528 3.014 101 H GLN 17 H GLN 17 1.578 5.375 3.801 102 HA GLN 17 HA GLN 17 4.012 4.273 4.897 103 2HB GLN 17 2HB GLN 17 2.390 2.008 4.373 104 2HG GLN 17 2HG GLN 17 2.498 1.808 6.936 105 1HE2 GLN 17 1HE2 GLN 17 3.445 0.086 5.647 106 2HE2 GLN 17 2HE2 GLN 17 5.165 -0.019 5.474 107 H VAL 18 H VAL 18 4.955 2.557 3.399 108 HA VAL 18 HA VAL 18 4.040 3.035 0.646 109 HB VAL 18 HB VAL 18 6.874 2.724 1.660 110 1HG1 VAL 18 1HG1 VAL 18 5.672 2.900 -1.091 111 2HG1 VAL 18 2HG1 VAL 18 7.295 3.566 -0.788 112 3HG1 VAL 18 3HG1 VAL 18 6.969 1.843 -0.482 113 1HG2 VAL 18 1HG2 VAL 18 7.102 5.105 0.857 114 2HG2 VAL 18 2HG2 VAL 18 5.328 5.155 0.711 115 3HG2 VAL 18 3HG2 VAL 18 6.083 4.890 2.301 116 H ILE 19 H ILE 19 3.169 1.206 -0.168 117 HA ILE 19 HA ILE 19 4.458 -1.316 0.604 118 HB ILE 19 HB ILE 19 2.250 -2.378 0.529 119 2HG1 ILE 19 2HG1 ILE 19 1.415 -0.138 -0.825 120 1HG2 ILE 19 1HG2 ILE 19 1.407 -1.456 2.671 121 2HG2 ILE 19 2HG2 ILE 19 3.162 -1.756 2.672 122 3HG2 ILE 19 3HG2 ILE 19 2.543 -0.096 2.501 123 1HD1 ILE 19 1HD1 ILE 19 -0.860 -1.125 -0.582 124 2HD1 ILE 19 2HD1 ILE 19 0.363 -2.377 -0.903 125 3HD1 ILE 19 3HD1 ILE 19 -0.265 -2.148 0.746 126 H PHE 20 H PHE 20 3.936 -3.103 -1.060 127 HA PHE 20 HA PHE 20 4.383 -1.913 -3.674 128 2HB PHE 20 2HB PHE 20 5.192 -4.194 -4.187 129 HD1 PHE 20 HD1 PHE 20 6.771 -2.014 -3.383 130 HD2 PHE 20 HD2 PHE 20 5.909 -5.534 -1.175 131 HE1 PHE 20 HE1 PHE 20 8.888 -1.708 -2.069 132 HE2 PHE 20 HE2 PHE 20 8.027 -5.228 0.139 133 HZ PHE 20 HZ PHE 20 9.491 -3.319 -0.324 134 H ASP 21 H ASP 21 3.202 -2.612 -5.574 135 HA ASP 21 HA ASP 21 0.460 -3.031 -4.961 136 2HB ASP 21 2HB ASP 21 0.996 -1.522 -6.774 137 HD2 ASP 21 HD2 ASP 21 2.623 -4.065 -9.265 138 H HIS 22 H HIS 22 -0.560 -5.050 -4.954 139 HA HIS 22 HA HIS 22 -0.954 -7.184 -5.289 140 2HB HIS 22 2HB HIS 22 1.065 -7.107 -7.545 141 HD1 HIS 22 HD1 HIS 22 -0.094 -8.695 -9.591 142 HD2 HIS 22 HD2 HIS 22 -0.976 -9.587 -5.589 143 HE1 HIS 22 HE1 HIS 22 -0.930 -11.105 -9.564 144 HA PRO 23 HA PRO 23 2.886 -8.102 -3.013 145 2HB PRO 23 2HB PRO 23 2.631 -6.756 -1.161 146 2HG PRO 23 2HG PRO 23 0.571 -5.734 -0.992 147 2HD PRO 23 2HD PRO 23 -0.071 -5.738 -3.200 148 H SER 24 H SER 24 -0.329 -9.372 -2.894 149 HA SER 24 HA SER 24 -0.887 -11.484 -3.295 150 2HB SER 24 2HB SER 24 1.722 -12.666 -2.368 151 HG SER 24 HG SER 24 -0.196 -13.876 -3.300 152 H THR 25 H THR 25 1.106 -10.548 -0.482 153 HA THR 25 HA THR 25 -0.506 -12.328 1.215 154 HB THR 25 HB THR 25 1.522 -11.428 2.808 155 HG1 THR 25 HG1 THR 25 2.551 -10.159 1.211 156 1HG2 THR 25 1HG2 THR 25 2.163 -13.481 0.648 157 2HG2 THR 25 2HG2 THR 25 2.706 -13.457 2.343 158 3HG2 THR 25 3HG2 THR 25 1.014 -13.857 1.956 159 H ILE 26 H ILE 26 -1.178 -11.464 3.354 160 HA ILE 26 HA ILE 26 -2.624 -9.085 2.960 161 HB ILE 26 HB ILE 26 -2.045 -10.628 5.492 162 2HG1 ILE 26 2HG1 ILE 26 -3.070 -11.928 3.576 163 1HG2 ILE 26 1HG2 ILE 26 -2.867 -8.283 5.812 164 2HG2 ILE 26 2HG2 ILE 26 -4.337 -8.736 4.917 165 3HG2 ILE 26 3HG2 ILE 26 -3.945 -9.546 6.453 166 1HD1 ILE 26 1HD1 ILE 26 -5.287 -12.246 5.248 167 2HD1 ILE 26 2HD1 ILE 26 -3.733 -13.098 5.409 168 3HD1 ILE 26 3HD1 ILE 26 -4.034 -11.612 6.341 169 H VAL 27 H VAL 27 -2.291 -6.977 3.672 170 HA VAL 27 HA VAL 27 0.424 -6.477 4.675 171 HB VAL 27 HB VAL 27 -1.381 -4.559 3.203 172 1HG1 VAL 27 1HG1 VAL 27 0.781 -3.961 4.667 173 2HG1 VAL 27 2HG1 VAL 27 1.598 -4.395 3.146 174 3HG1 VAL 27 3HG1 VAL 27 0.376 -3.101 3.162 175 1HG2 VAL 27 1HG2 VAL 27 0.710 -6.445 2.071 176 2HG2 VAL 27 2HG2 VAL 27 -1.033 -6.425 1.711 177 3HG2 VAL 27 3HG2 VAL 27 -0.001 -5.074 1.185 178 H LYS 28 H LYS 28 0.489 -6.017 6.807 179 HA LYS 28 HA LYS 28 -1.912 -4.820 7.982 180 2HB LYS 28 2HB LYS 28 -0.461 -5.564 10.121 181 2HG LYS 28 2HG LYS 28 -2.507 -6.902 8.399 182 2HD LYS 28 2HD LYS 28 -2.272 -8.741 10.438 183 2HE LYS 28 2HE LYS 28 -0.963 -8.882 7.679 184 1HZ LYS 28 1HZ LYS 28 -0.359 -10.698 9.254 185 2HZ LYS 28 2HZ LYS 28 -1.932 -11.082 9.422 186 H CYS 29 H CYS 29 -1.846 -2.832 9.005 187 HA CYS 29 HA CYS 29 -0.038 -0.981 8.167 188 2HB CYS 29 2HB CYS 29 -1.379 -0.741 10.862 189 HG CYS 29 HG CYS 29 -1.743 1.734 10.402 190 H ILE 30 H ILE 30 1.963 -0.194 8.944 191 HA ILE 30 HA ILE 30 3.407 -2.007 10.625 192 HB ILE 30 HB ILE 30 5.301 -0.559 10.147 193 2HG1 ILE 30 2HG1 ILE 30 3.498 1.491 9.965 194 1HG2 ILE 30 1HG2 ILE 30 3.795 -0.934 7.563 195 2HG2 ILE 30 2HG2 ILE 30 5.535 -1.120 7.889 196 3HG2 ILE 30 3HG2 ILE 30 4.378 -2.316 8.521 197 1HD1 ILE 30 1HD1 ILE 30 6.201 1.244 10.123 198 2HD1 ILE 30 2HD1 ILE 30 6.057 1.832 8.449 199 3HD1 ILE 30 3HD1 ILE 30 5.392 2.795 9.791 200 H ILE 31 H ILE 31 1.253 0.563 11.172 201 HA ILE 31 HA ILE 31 2.623 1.600 13.485 202 HB ILE 31 HB ILE 31 -0.154 2.110 12.414 203 2HG1 ILE 31 2HG1 ILE 31 1.058 4.333 11.756 204 1HG2 ILE 31 1HG2 ILE 31 0.386 4.314 13.799 205 2HG2 ILE 31 2HG2 ILE 31 -0.371 2.885 14.544 206 3HG2 ILE 31 3HG2 ILE 31 1.375 3.174 14.743 207 1HD1 ILE 31 1HD1 ILE 31 3.247 3.771 12.776 208 2HD1 ILE 31 2HD1 ILE 31 3.343 2.307 11.768 209 3HD1 ILE 31 3HD1 ILE 31 3.392 3.915 11.008 210 H CYS 32 H CYS 32 -0.818 0.553 13.331 211 HA CYS 32 HA CYS 32 -0.471 -0.664 15.914 212 2HB CYS 32 2HB CYS 32 -2.875 -0.100 14.170 213 HG CYS 32 HG CYS 32 -3.944 -0.765 16.893 214 H GLY 33 H GLY 33 -1.671 -1.613 12.607 215 1HA GLY 33 1HA GLY 33 -0.492 -3.698 11.808 216 2HA GLY 33 2HA GLY 33 -1.071 -4.424 13.295 217 H ARG 34 H ARG 34 -2.911 -1.980 11.424 218 HA ARG 34 HA ARG 34 -5.010 -3.924 11.185 219 2HB ARG 34 2HB ARG 34 -5.096 -1.288 11.814 220 2HG ARG 34 2HG ARG 34 -5.967 -1.232 8.911 221 2HD ARG 34 2HD ARG 34 -6.158 1.056 9.239 222 HE ARG 34 HE ARG 34 -7.248 -0.261 11.327 223 1HH1 ARG 34 1HH1 ARG 34 -5.293 2.695 11.327 224 2HH1 ARG 34 2HH1 ARG 34 -6.037 3.335 12.754 225 2HH2 ARG 34 2HH2 ARG 34 -7.760 2.076 13.845 226 H THR 35 H THR 35 -6.079 -4.393 9.104 227 HA THR 35 HA THR 35 -4.251 -4.770 6.995 228 HB THR 35 HB THR 35 -7.289 -4.815 6.767 229 HG1 THR 35 HG1 THR 35 -7.139 -6.178 8.505 230 1HG2 THR 35 1HG2 THR 35 -5.674 -5.539 4.847 231 2HG2 THR 35 2HG2 THR 35 -5.223 -6.890 5.913 232 3HG2 THR 35 3HG2 THR 35 -6.904 -6.722 5.354 233 H VAL 36 H VAL 36 -3.545 -3.480 5.417 234 HA VAL 36 HA VAL 36 -5.085 -1.015 4.978 235 HB VAL 36 HB VAL 36 -2.784 -0.257 4.059 236 1HG1 VAL 36 1HG1 VAL 36 -4.032 -0.132 6.613 237 2HG1 VAL 36 2HG1 VAL 36 -2.284 -0.329 6.883 238 3HG1 VAL 36 3HG1 VAL 36 -2.885 1.017 5.885 239 1HG2 VAL 36 1HG2 VAL 36 -1.788 -2.373 5.983 240 2HG2 VAL 36 2HG2 VAL 36 -1.840 -2.614 4.220 241 3HG2 VAL 36 3HG2 VAL 36 -0.838 -1.316 4.912 242 H ALA 37 H ALA 37 -3.836 -4.000 3.643 243 HA ALA 37 HA ALA 37 -5.160 -3.391 1.152 244 1HB ALA 37 1HB ALA 37 -3.265 -3.668 -0.259 245 2HB ALA 37 2HB ALA 37 -2.741 -2.531 1.007 246 3HB ALA 37 3HB ALA 37 -2.247 -4.239 1.086 247 H GLU 38 H GLU 38 -6.019 -5.249 0.235 248 HA GLU 38 HA GLU 38 -5.177 -7.731 1.517 249 2HB GLU 38 2HB GLU 38 -7.923 -7.835 0.538 250 2HG GLU 38 2HG GLU 38 -7.402 -7.864 3.460 251 HE2 GLU 38 HE2 GLU 38 -8.974 -11.218 2.355 252 HA PRO 39 HA PRO 39 -4.573 -9.031 -2.590 253 2HB PRO 39 2HB PRO 39 -2.917 -10.499 -1.953 254 2HG PRO 39 2HG PRO 39 -2.956 -11.084 0.278 255 2HD PRO 39 2HD PRO 39 -4.056 -9.267 1.157 256 H THR 40 H THR 40 -5.826 -9.360 -4.328 257 HA THR 40 HA THR 40 -8.233 -10.966 -3.771 258 HB THR 40 HB THR 40 -9.027 -8.725 -3.924 259 HG1 THR 40 HG1 THR 40 -10.283 -9.481 -5.582 260 1HG2 THR 40 1HG2 THR 40 -7.221 -7.352 -4.617 261 2HG2 THR 40 2HG2 THR 40 -6.816 -8.418 -5.984 262 3HG2 THR 40 3HG2 THR 40 -8.249 -7.366 -6.069 263 H GLY 41 H GLY 41 -7.611 -12.918 -4.601 264 1HA GLY 41 1HA GLY 41 -7.271 -14.444 -6.218 265 2HA GLY 41 2HA GLY 41 -7.689 -13.223 -7.403 266 H GLY 42 H GLY 42 -6.009 -11.781 -8.250 267 1HA GLY 42 1HA GLY 42 -3.251 -12.442 -7.558 268 2HA GLY 42 2HA GLY 42 -3.771 -12.825 -9.186 269 H LYS 43 H LYS 43 -4.773 -10.051 -7.085 270 HA LYS 43 HA LYS 43 -3.122 -8.209 -8.497 271 2HB LYS 43 2HB LYS 43 -4.802 -8.562 -10.234 272 2HG LYS 43 2HG LYS 43 -6.911 -7.337 -8.452 273 2HD LYS 43 2HD LYS 43 -7.011 -7.779 -11.054 274 2HE LYS 43 2HE LYS 43 -6.374 -10.344 -10.336 275 1HZ LYS 43 1HZ LYS 43 -9.190 -10.723 -10.918 276 2HZ LYS 43 2HZ LYS 43 -8.218 -11.591 -9.941 277 H GLY 44 H GLY 44 -2.669 -8.325 -6.059 278 1HA GLY 44 1HA GLY 44 -4.237 -7.660 -4.008 279 2HA GLY 44 2HA GLY 44 -2.625 -7.003 -4.208 280 H ASN 45 H ASN 45 -5.390 -5.921 -3.196 281 HA ASN 45 HA ASN 45 -5.294 -3.515 -4.844 282 2HB ASN 45 2HB ASN 45 -7.770 -3.923 -3.261 283 1HD2 ASN 45 1HD2 ASN 45 -8.526 -4.890 -6.230 284 2HD2 ASN 45 2HD2 ASN 45 -8.764 -3.389 -7.062 285 H ILE 46 H ILE 46 -5.025 -1.562 -3.667 286 HA ILE 46 HA ILE 46 -4.417 -1.859 -0.868 287 HB ILE 46 HB ILE 46 -4.239 0.439 -2.815 288 2HG1 ILE 46 2HG1 ILE 46 -2.362 -1.643 -1.801 289 1HG2 ILE 46 1HG2 ILE 46 -2.756 0.844 -0.371 290 2HG2 ILE 46 2HG2 ILE 46 -3.952 1.896 -1.167 291 3HG2 ILE 46 3HG2 ILE 46 -4.490 0.642 -0.025 292 1HD1 ILE 46 1HD1 ILE 46 -1.573 -0.386 -4.240 293 2HD1 ILE 46 2HD1 ILE 46 -2.290 -2.002 -4.033 294 3HD1 ILE 46 3HD1 ILE 46 -3.339 -0.592 -4.316 295 H LYS 47 H LYS 47 -5.870 -1.641 0.739 296 HA LYS 47 HA LYS 47 -8.416 -0.389 0.066 297 2HB LYS 47 2HB LYS 47 -9.367 -1.650 1.763 298 2HG LYS 47 2HG LYS 47 -7.133 -3.599 1.420 299 2HD LYS 47 2HD LYS 47 -10.097 -3.511 1.419 300 2HE LYS 47 2HE LYS 47 -9.059 -5.823 -0.138 301 1HZ LYS 47 1HZ LYS 47 -11.418 -4.031 -0.283 302 2HZ LYS 47 2HZ LYS 47 -11.158 -5.214 -1.372 303 H ALA 48 H ALA 48 -6.260 1.406 0.167 304 HA ALA 48 HA ALA 48 -7.092 2.984 2.462 305 1HB ALA 48 1HB ALA 48 -4.167 2.441 1.820 306 2HB ALA 48 2HB ALA 48 -4.802 3.449 3.141 307 3HB ALA 48 3HB ALA 48 -5.063 1.688 3.160 308 H GLU 49 H GLU 49 -6.224 5.306 2.206 309 HA GLU 49 HA GLU 49 -6.827 6.089 -0.436 310 2HB GLU 49 2HB GLU 49 -6.080 7.522 2.120 311 2HG GLU 49 2HG GLU 49 -6.354 8.750 -0.663 312 HE2 GLU 49 HE2 GLU 49 -5.569 11.599 0.619 313 H ILE 50 H ILE 50 -5.386 5.892 -2.097 314 HA ILE 50 HA ILE 50 -2.576 5.807 -1.555 315 HB ILE 50 HB ILE 50 -4.134 5.779 -4.143 316 2HG1 ILE 50 2HG1 ILE 50 -4.803 3.837 -3.085 317 1HG2 ILE 50 1HG2 ILE 50 -1.230 5.080 -3.629 318 2HG2 ILE 50 2HG2 ILE 50 -2.098 4.939 -5.176 319 3HG2 ILE 50 3HG2 ILE 50 -1.818 6.543 -4.455 320 1HD1 ILE 50 1HD1 ILE 50 -2.117 2.946 -4.216 321 2HD1 ILE 50 2HD1 ILE 50 -3.617 1.995 -4.105 322 3HD1 ILE 50 3HD1 ILE 50 -3.512 3.363 -5.239 323 H ILE 51 H ILE 51 -0.993 7.342 -2.106 324 HA ILE 51 HA ILE 51 -2.098 10.024 -2.484 325 HB ILE 51 HB ILE 51 0.288 8.891 -1.115 326 2HG1 ILE 51 2HG1 ILE 51 -1.848 10.932 -0.516 327 1HG2 ILE 51 1HG2 ILE 51 1.119 11.381 -1.078 328 2HG2 ILE 51 2HG2 ILE 51 1.575 10.288 -2.406 329 3HG2 ILE 51 3HG2 ILE 51 0.265 11.471 -2.637 330 1HD1 ILE 51 1HD1 ILE 51 -0.974 8.899 1.459 331 2HD1 ILE 51 2HD1 ILE 51 -2.617 9.359 0.951 332 3HD1 ILE 51 3HD1 ILE 51 -1.667 8.218 -0.033 333 H GLU 52 H GLU 52 0.971 8.304 -3.406 334 HA GLU 52 HA GLU 52 0.473 8.501 -6.126 335 2HB GLU 52 2HB GLU 52 2.704 10.346 -5.836 336 2HG GLU 52 2HG GLU 52 -0.041 10.377 -7.147 337 HE2 GLU 52 HE2 GLU 52 1.230 12.035 -9.145 338 H TYR 53 H TYR 53 2.981 8.531 -7.255 339 HA TYR 53 HA TYR 53 4.077 6.106 -6.268 340 2HB TYR 53 2HB TYR 53 5.868 6.989 -8.084 341 HD1 TYR 53 HD1 TYR 53 2.200 7.381 -8.784 342 HD2 TYR 53 HD2 TYR 53 5.743 5.056 -9.371 343 HE1 TYR 53 HE1 TYR 53 0.941 5.851 -10.378 344 HE2 TYR 53 HE2 TYR 53 4.472 3.534 -10.962 345 HH TYR 53 HH TYR 53 1.033 3.736 -11.287 346 H VAL 54 H VAL 54 6.066 5.702 -5.243 347 HA VAL 54 HA VAL 54 7.099 8.001 -3.789 348 HB VAL 54 HB VAL 54 8.289 5.428 -3.181 349 1HG1 VAL 54 1HG1 VAL 54 8.409 7.248 -1.627 350 2HG1 VAL 54 2HG1 VAL 54 6.641 7.453 -1.636 351 3HG1 VAL 54 3HG1 VAL 54 7.365 5.999 -0.906 352 1HG2 VAL 54 1HG2 VAL 54 6.107 4.534 -2.144 353 2HG2 VAL 54 2HG2 VAL 54 5.275 5.606 -3.296 354 3HG2 VAL 54 3HG2 VAL 54 6.345 4.316 -3.895 355 H ASP 55 H ASP 55 9.559 8.070 -3.477 356 HA ASP 55 HA ASP 55 10.693 7.843 -6.116 357 2HB ASP 55 2HB ASP 55 12.546 8.885 -4.152 358 HD2 ASP 55 HD2 ASP 55 13.352 9.499 -6.702 359 H GLN 56 H GLN 56 10.522 6.143 -3.121 360 HA GLN 56 HA GLN 56 13.167 5.141 -3.101 361 2HB GLN 56 2HB GLN 56 11.836 3.380 -1.532 362 2HG GLN 56 2HG GLN 56 12.795 6.199 -1.077 363 1HE2 GLN 56 1HE2 GLN 56 12.842 7.068 1.024 364 2HE2 GLN 56 2HE2 GLN 56 11.601 6.736 2.186 365 H ILE 57 H ILE 57 13.612 4.213 -5.152 366 HA ILE 57 HA ILE 57 11.800 2.245 -6.208 367 HB ILE 57 HB ILE 57 14.564 2.959 -7.175 368 2HG1 ILE 57 2HG1 ILE 57 13.230 5.014 -6.880 369 1HG2 ILE 57 1HG2 ILE 57 13.995 1.145 -8.428 370 2HG2 ILE 57 2HG2 ILE 57 12.246 1.429 -8.259 371 3HG2 ILE 57 3HG2 ILE 57 13.202 2.414 -9.391 372 1HD1 ILE 57 1HD1 ILE 57 12.984 5.044 -9.728 373 2HD1 ILE 57 2HD1 ILE 57 14.314 5.698 -8.743 374 3HD1 ILE 57 3HD1 ILE 57 14.388 4.021 -9.337 375 H GLU 58 H GLU 58 12.878 0.071 -6.976 376 HA GLU 58 HA GLU 58 13.765 -1.158 -4.570 377 2HB GLU 58 2HB GLU 58 13.804 -2.707 -7.122 378 2HG GLU 58 2HG GLU 58 13.806 -3.453 -4.545 379 HE2 GLU 58 HE2 GLU 58 10.399 -4.276 -3.569 Start of MODEL 7 1 1H MET 1 1H MET 1 12.662 -4.438 -14.804 2 HA MET 1 HA MET 1 13.047 -4.731 -12.389 3 2HB MET 1 2HB MET 1 11.635 -2.489 -11.405 4 2HG MET 1 2HG MET 1 14.042 -3.743 -10.881 5 1HE MET 1 1HE MET 1 17.223 -1.450 -10.711 6 2HE MET 1 2HE MET 1 15.954 -1.875 -9.538 7 3HE MET 1 3HE MET 1 16.680 -3.138 -10.561 8 H HIS 2 H HIS 2 11.413 -6.030 -11.631 9 HA HIS 2 HA HIS 2 8.838 -5.722 -12.925 10 2HB HIS 2 2HB HIS 2 10.181 -7.910 -12.763 11 HD1 HIS 2 HD1 HIS 2 11.786 -8.397 -10.777 12 HD2 HIS 2 HD2 HIS 2 7.719 -8.481 -9.754 13 HE1 HIS 2 HE1 HIS 2 11.656 -9.441 -8.453 14 H SER 3 H SER 3 6.959 -5.123 -11.880 15 HA SER 3 HA SER 3 5.605 -4.538 -10.270 16 2HB SER 3 2HB SER 3 7.596 -5.128 -8.071 17 HG SER 3 HG SER 3 5.707 -4.699 -7.100 18 H ARG 4 H ARG 4 5.173 -2.408 -9.748 19 HA ARG 4 HA ARG 4 7.502 -0.715 -9.461 20 2HB ARG 4 2HB ARG 4 5.068 0.823 -9.609 21 2HG ARG 4 2HG ARG 4 7.499 0.303 -11.295 22 2HD ARG 4 2HD ARG 4 5.731 2.225 -12.597 23 HE ARG 4 HE ARG 4 7.201 1.360 -14.185 24 1HH1 ARG 4 1HH1 ARG 4 5.892 -1.342 -12.304 25 2HH1 ARG 4 2HH1 ARG 4 6.679 -2.552 -13.264 26 2HH2 ARG 4 2HH2 ARG 4 8.052 -1.878 -15.108 27 H PHE 5 H PHE 5 7.010 1.343 -7.968 28 HA PHE 5 HA PHE 5 6.025 0.247 -5.449 29 2HB PHE 5 2HB PHE 5 8.231 1.151 -5.223 30 HD1 PHE 5 HD1 PHE 5 9.885 1.556 -6.778 31 HD2 PHE 5 HD2 PHE 5 6.506 4.121 -6.693 32 HE1 PHE 5 HE1 PHE 5 10.939 3.003 -8.538 33 HE2 PHE 5 HE2 PHE 5 7.560 5.568 -8.453 34 HZ PHE 5 HZ PHE 5 9.764 4.992 -9.354 35 H VAL 6 H VAL 6 4.552 1.438 -4.104 36 HA VAL 6 HA VAL 6 3.321 3.781 -5.300 37 HB VAL 6 HB VAL 6 1.253 2.920 -5.605 38 1HG1 VAL 6 1HG1 VAL 6 3.009 0.463 -5.914 39 2HG1 VAL 6 2HG1 VAL 6 1.361 0.623 -6.569 40 3HG1 VAL 6 3HG1 VAL 6 2.657 1.697 -7.148 41 1HG2 VAL 6 1HG2 VAL 6 0.365 0.895 -4.414 42 2HG2 VAL 6 2HG2 VAL 6 1.884 0.841 -3.487 43 3HG2 VAL 6 3HG2 VAL 6 0.802 2.247 -3.341 44 H LYS 7 H LYS 7 2.977 5.298 -3.749 45 HA LYS 7 HA LYS 7 3.365 4.444 -0.997 46 2HB LYS 7 2HB LYS 7 3.655 6.997 -2.515 47 2HG LYS 7 2HG LYS 7 3.085 6.785 0.478 48 2HD LYS 7 2HD LYS 7 3.494 9.322 0.361 49 2HE LYS 7 2HE LYS 7 5.873 7.474 -0.163 50 1HZ LYS 7 1HZ LYS 7 7.072 9.186 1.071 51 2HZ LYS 7 2HZ LYS 7 6.408 9.863 -0.253 52 H VAL 8 H VAL 8 1.687 4.079 0.346 53 HA VAL 8 HA VAL 8 -0.853 5.386 -0.345 54 HB VAL 8 HB VAL 8 -1.901 3.330 0.689 55 1HG1 VAL 8 1HG1 VAL 8 -1.537 3.911 -1.839 56 2HG1 VAL 8 2HG1 VAL 8 -0.375 2.563 -1.789 57 3HG1 VAL 8 3HG1 VAL 8 -2.083 2.282 -1.373 58 1HG2 VAL 8 1HG2 VAL 8 0.702 1.935 0.067 59 2HG2 VAL 8 2HG2 VAL 8 0.379 2.606 1.684 60 3HG2 VAL 8 3HG2 VAL 8 -0.692 1.354 1.011 61 H LYS 9 H LYS 9 -2.355 5.468 1.665 62 HA LYS 9 HA LYS 9 -0.771 5.789 4.099 63 2HB LYS 9 2HB LYS 9 -2.279 7.912 2.629 64 2HG LYS 9 2HG LYS 9 -2.225 7.490 5.632 65 2HD LYS 9 2HD LYS 9 -1.816 10.043 4.118 66 2HE LYS 9 2HE LYS 9 -3.503 10.002 6.655 67 1HZ LYS 9 1HZ LYS 9 -3.847 12.264 5.088 68 2HZ LYS 9 2HZ LYS 9 -3.044 12.183 6.503 69 H CYS 10 H CYS 10 -1.843 5.183 5.975 70 HA CYS 10 HA CYS 10 -4.125 3.564 5.590 71 2HB CYS 10 2HB CYS 10 -3.158 4.481 8.295 72 HG CYS 10 HG CYS 10 -4.535 1.896 6.792 73 HA PRO 11 HA PRO 11 -7.029 6.795 6.139 74 2HB PRO 11 2HB PRO 11 -8.509 5.815 4.672 75 2HG PRO 11 2HG PRO 11 -8.127 3.575 4.272 76 2HD PRO 11 2HD PRO 11 -5.888 3.446 4.778 77 H ASP 12 H ASP 12 -7.053 3.988 8.209 78 HA ASP 12 HA ASP 12 -8.552 5.413 10.175 79 2HB ASP 12 2HB ASP 12 -8.382 3.373 11.484 80 HD2 ASP 12 HD2 ASP 12 -9.980 1.256 10.402 81 H CYS 13 H CYS 13 -5.181 4.249 9.570 82 HA CYS 13 HA CYS 13 -4.217 5.202 12.072 83 2HB CYS 13 2HB CYS 13 -2.189 4.773 10.003 84 HG CYS 13 HG CYS 13 -3.170 3.706 12.953 85 H GLU 14 H GLU 14 -4.646 6.402 8.751 86 HA GLU 14 HA GLU 14 -4.459 8.382 7.880 87 2HB GLU 14 2HB GLU 14 -4.213 10.413 9.370 88 2HG GLU 14 2HG GLU 14 -6.208 8.595 10.711 89 HE2 GLU 14 HE2 GLU 14 -7.454 11.641 8.854 90 H HIS 15 H HIS 15 -2.026 6.577 8.956 91 HA HIS 15 HA HIS 15 0.063 8.570 8.588 92 2HB HIS 15 2HB HIS 15 0.408 5.661 9.334 93 HD1 HIS 15 HD1 HIS 15 2.804 5.667 8.299 94 HD2 HIS 15 HD2 HIS 15 2.136 8.689 11.131 95 HE1 HIS 15 HE1 HIS 15 5.097 6.626 8.875 96 H GLU 16 H GLU 16 1.765 8.250 7.001 97 HA GLU 16 HA GLU 16 0.691 7.007 4.645 98 2HB GLU 16 2HB GLU 16 2.704 8.094 3.543 99 2HG GLU 16 2HG GLU 16 0.709 9.677 5.194 100 HE2 GLU 16 HE2 GLU 16 1.214 11.923 2.850 101 H GLN 17 H GLN 17 1.596 5.224 3.554 102 HA GLN 17 HA GLN 17 4.012 4.116 4.686 103 2HB GLN 17 2HB GLN 17 2.385 1.852 4.271 104 2HG GLN 17 2HG GLN 17 2.294 2.265 7.003 105 1HE2 GLN 17 1HE2 GLN 17 2.322 0.038 6.304 106 2HE2 GLN 17 2HE2 GLN 17 3.823 -0.806 6.126 107 H VAL 18 H VAL 18 5.038 2.494 3.235 108 HA VAL 18 HA VAL 18 4.094 2.839 0.473 109 HB VAL 18 HB VAL 18 6.898 2.545 1.564 110 1HG1 VAL 18 1HG1 VAL 18 6.909 1.405 -0.507 111 2HG1 VAL 18 2HG1 VAL 18 5.841 2.607 -1.270 112 3HG1 VAL 18 3HG1 VAL 18 7.521 3.037 -0.868 113 1HG2 VAL 18 1HG2 VAL 18 5.835 4.779 1.887 114 2HG2 VAL 18 2HG2 VAL 18 7.254 4.816 0.813 115 3HG2 VAL 18 3HG2 VAL 18 5.614 4.889 0.125 116 H ILE 19 H ILE 19 3.245 1.013 -0.371 117 HA ILE 19 HA ILE 19 4.448 -1.519 0.492 118 HB ILE 19 HB ILE 19 2.205 -2.529 0.427 119 2HG1 ILE 19 2HG1 ILE 19 1.440 -0.207 -0.881 120 1HG2 ILE 19 1HG2 ILE 19 3.367 -1.579 2.512 121 2HG2 ILE 19 2HG2 ILE 19 2.181 -0.257 2.406 122 3HG2 ILE 19 3HG2 ILE 19 1.627 -1.936 2.610 123 1HD1 ILE 19 1HD1 ILE 19 -0.945 -1.337 -0.033 124 2HD1 ILE 19 2HD1 ILE 19 0.011 -1.901 -1.424 125 3HD1 ILE 19 3HD1 ILE 19 0.200 -2.686 0.162 126 H PHE 20 H PHE 20 3.879 -3.330 -1.130 127 HA PHE 20 HA PHE 20 4.449 -2.253 -3.750 128 2HB PHE 20 2HB PHE 20 4.872 -4.684 -4.216 129 HD1 PHE 20 HD1 PHE 20 5.479 -5.667 -0.954 130 HD2 PHE 20 HD2 PHE 20 6.881 -2.913 -3.862 131 HE1 PHE 20 HE1 PHE 20 7.695 -5.557 0.219 132 HE2 PHE 20 HE2 PHE 20 9.096 -2.801 -2.689 133 HZ PHE 20 HZ PHE 20 9.478 -4.125 -0.662 134 H ASP 21 H ASP 21 3.251 -2.862 -5.684 135 HA ASP 21 HA ASP 21 0.448 -2.976 -5.111 136 2HB ASP 21 2HB ASP 21 1.365 -1.427 -6.836 137 HD2 ASP 21 HD2 ASP 21 2.263 -3.355 -9.998 138 H HIS 22 H HIS 22 1.928 -5.374 -4.422 139 HA HIS 22 HA HIS 22 0.387 -7.327 -5.563 140 2HB HIS 22 2HB HIS 22 2.955 -6.834 -7.038 141 HD1 HIS 22 HD1 HIS 22 4.233 -8.741 -8.121 142 HD2 HIS 22 HD2 HIS 22 0.834 -10.034 -6.030 143 HE1 HIS 22 HE1 HIS 22 4.351 -11.289 -8.071 144 HA PRO 23 HA PRO 23 3.010 -8.239 -1.944 145 2HB PRO 23 2HB PRO 23 2.092 -6.838 -0.363 146 2HG PRO 23 2HG PRO 23 0.157 -5.774 -1.027 147 2HD PRO 23 2HD PRO 23 0.424 -5.827 -3.309 148 H SER 24 H SER 24 -0.271 -9.389 -2.513 149 HA SER 24 HA SER 24 -0.850 -11.464 -3.052 150 2HB SER 24 2HB SER 24 1.633 -12.738 -1.903 151 HG SER 24 HG SER 24 -0.115 -13.224 -4.154 152 H THR 25 H THR 25 0.914 -10.776 -0.007 153 HA THR 25 HA THR 25 -0.990 -12.496 1.431 154 HB THR 25 HB THR 25 0.933 -11.880 3.255 155 HG1 THR 25 HG1 THR 25 2.860 -11.436 2.099 156 1HG2 THR 25 1HG2 THR 25 2.277 -13.866 2.354 157 2HG2 THR 25 2HG2 THR 25 0.551 -14.211 2.618 158 3HG2 THR 25 3HG2 THR 25 1.156 -13.907 0.972 159 H ILE 26 H ILE 26 -1.711 -11.670 3.601 160 HA ILE 26 HA ILE 26 -2.998 -9.210 3.215 161 HB ILE 26 HB ILE 26 -2.582 -10.831 5.729 162 2HG1 ILE 26 2HG1 ILE 26 -3.632 -12.028 3.771 163 1HG2 ILE 26 1HG2 ILE 26 -5.011 -9.511 5.910 164 2HG2 ILE 26 2HG2 ILE 26 -3.508 -9.091 6.767 165 3HG2 ILE 26 3HG2 ILE 26 -3.914 -8.285 5.232 166 1HD1 ILE 26 1HD1 ILE 26 -4.221 -13.004 5.817 167 2HD1 ILE 26 2HD1 ILE 26 -5.013 -11.524 6.411 168 3HD1 ILE 26 3HD1 ILE 26 -5.819 -12.534 5.186 169 H VAL 27 H VAL 27 -2.552 -7.127 3.903 170 HA VAL 27 HA VAL 27 0.139 -6.780 5.023 171 HB VAL 27 HB VAL 27 -1.568 -4.878 3.404 172 1HG1 VAL 27 1HG1 VAL 27 -0.005 -3.778 4.996 173 2HG1 VAL 27 2HG1 VAL 27 1.346 -4.645 4.226 174 3HG1 VAL 27 3HG1 VAL 27 0.399 -3.463 3.292 175 1HG2 VAL 27 1HG2 VAL 27 0.978 -5.911 2.294 176 2HG2 VAL 27 2HG2 VAL 27 -0.344 -7.097 2.421 177 3HG2 VAL 27 3HG2 VAL 27 -0.582 -5.594 1.497 178 H LYS 28 H LYS 28 0.229 -6.227 7.132 179 HA LYS 28 HA LYS 28 -2.173 -4.989 8.270 180 2HB LYS 28 2HB LYS 28 -0.753 -5.774 10.429 181 2HG LYS 28 2HG LYS 28 -2.772 -7.179 8.672 182 2HD LYS 28 2HD LYS 28 -2.921 -8.784 10.783 183 2HE LYS 28 2HE LYS 28 -0.580 -9.350 8.945 184 1HZ LYS 28 1HZ LYS 28 -1.100 -11.423 9.586 185 2HZ LYS 28 2HZ LYS 28 -2.234 -10.852 10.606 186 H CYS 29 H CYS 29 -2.064 -3.005 9.301 187 HA CYS 29 HA CYS 29 -0.161 -1.222 8.491 188 2HB CYS 29 2HB CYS 29 -1.617 -0.904 11.117 189 HG CYS 29 HG CYS 29 -1.471 1.504 10.949 190 H ILE 30 H ILE 30 1.836 -0.504 9.336 191 HA ILE 30 HA ILE 30 3.133 -2.339 11.110 192 HB ILE 30 HB ILE 30 5.061 -0.746 10.757 193 2HG1 ILE 30 2HG1 ILE 30 3.108 1.016 9.923 194 1HG2 ILE 30 1HG2 ILE 30 4.823 -2.814 9.503 195 2HG2 ILE 30 2HG2 ILE 30 3.746 -2.010 8.336 196 3HG2 ILE 30 3HG2 ILE 30 5.453 -1.520 8.455 197 1HD1 ILE 30 1HD1 ILE 30 6.062 1.026 9.154 198 2HD1 ILE 30 2HD1 ILE 30 4.997 2.447 9.276 199 3HD1 ILE 30 3HD1 ILE 30 5.426 1.528 10.739 200 H ILE 31 H ILE 31 1.061 0.321 11.520 201 HA ILE 31 HA ILE 31 2.368 1.393 13.841 202 HB ILE 31 HB ILE 31 -0.411 1.862 12.756 203 2HG1 ILE 31 2HG1 ILE 31 0.826 4.047 11.974 204 1HG2 ILE 31 1HG2 ILE 31 -0.752 3.104 14.559 205 2HG2 ILE 31 2HG2 ILE 31 0.871 2.706 15.171 206 3HG2 ILE 31 3HG2 ILE 31 0.641 4.120 14.114 207 1HD1 ILE 31 1HD1 ILE 31 3.112 3.753 11.350 208 2HD1 ILE 31 2HD1 ILE 31 3.026 3.171 13.030 209 3HD1 ILE 31 3HD1 ILE 31 3.061 2.006 11.686 210 H CYS 32 H CYS 32 -1.055 0.275 13.624 211 HA CYS 32 HA CYS 32 -0.699 -0.914 16.240 212 2HB CYS 32 2HB CYS 32 -3.132 -0.225 14.580 213 HG CYS 32 HG CYS 32 -3.955 -2.424 15.377 214 H GLY 33 H GLY 33 -1.962 -1.746 12.930 215 1HA GLY 33 1HA GLY 33 -0.889 -3.896 12.124 216 2HA GLY 33 2HA GLY 33 -1.563 -4.599 13.581 217 H ARG 34 H ARG 34 -3.131 -2.017 11.631 218 HA ARG 34 HA ARG 34 -5.387 -3.767 11.352 219 2HB ARG 34 2HB ARG 34 -5.170 -1.065 11.846 220 2HG ARG 34 2HG ARG 34 -6.037 -1.317 8.931 221 2HD ARG 34 2HD ARG 34 -6.376 1.007 8.980 222 HE ARG 34 HE ARG 34 -8.102 0.397 10.508 223 1HH1 ARG 34 1HH1 ARG 34 -5.039 0.957 12.198 224 2HH1 ARG 34 2HH1 ARG 34 -5.774 1.030 13.765 225 2HH2 ARG 34 2HH2 ARG 34 -8.147 0.754 13.962 226 H THR 35 H THR 35 -6.365 -4.296 9.272 227 HA THR 35 HA THR 35 -4.499 -4.812 7.228 228 HB THR 35 HB THR 35 -7.534 -4.747 6.937 229 HG1 THR 35 HG1 THR 35 -7.399 -6.003 8.766 230 1HG2 THR 35 1HG2 THR 35 -6.785 -7.138 5.998 231 2HG2 THR 35 2HG2 THR 35 -6.649 -5.695 4.966 232 3HG2 THR 35 3HG2 THR 35 -5.212 -6.330 5.802 233 H VAL 36 H VAL 36 -3.690 -3.595 5.643 234 HA VAL 36 HA VAL 36 -5.140 -1.109 5.051 235 HB VAL 36 HB VAL 36 -2.822 -0.360 4.278 236 1HG1 VAL 36 1HG1 VAL 36 -4.158 -0.142 6.692 237 2HG1 VAL 36 2HG1 VAL 36 -2.531 -0.678 7.178 238 3HG1 VAL 36 3HG1 VAL 36 -2.728 0.796 6.199 239 1HG2 VAL 36 1HG2 VAL 36 -0.894 -1.455 5.198 240 2HG2 VAL 36 2HG2 VAL 36 -1.908 -2.608 6.099 241 3HG2 VAL 36 3HG2 VAL 36 -1.846 -2.676 4.321 242 H ALA 37 H ALA 37 -4.054 -4.196 3.917 243 HA ALA 37 HA ALA 37 -5.178 -3.652 1.340 244 1HB ALA 37 1HB ALA 37 -3.195 -2.949 0.466 245 2HB ALA 37 2HB ALA 37 -2.242 -3.664 1.789 246 3HB ALA 37 3HB ALA 37 -2.813 -4.688 0.449 247 H GLU 38 H GLU 38 -5.993 -5.541 0.443 248 HA GLU 38 HA GLU 38 -5.205 -7.982 1.832 249 2HB GLU 38 2HB GLU 38 -7.918 -8.161 0.819 250 2HG GLU 38 2HG GLU 38 -7.362 -7.940 3.752 251 HE2 GLU 38 HE2 GLU 38 -10.115 -9.989 3.882 252 HA PRO 39 HA PRO 39 -4.511 -9.387 -2.228 253 2HB PRO 39 2HB PRO 39 -2.839 -10.806 -1.522 254 2HG PRO 39 2HG PRO 39 -2.898 -11.319 0.726 255 2HD PRO 39 2HD PRO 39 -4.040 -9.495 1.533 256 H THR 40 H THR 40 -6.989 -8.714 -2.218 257 HA THR 40 HA THR 40 -8.841 -10.806 -2.251 258 HB THR 40 HB THR 40 -9.472 -8.437 -2.045 259 HG1 THR 40 HG1 THR 40 -11.234 -9.087 -3.213 260 1HG2 THR 40 1HG2 THR 40 -8.279 -6.945 -3.333 261 2HG2 THR 40 2HG2 THR 40 -7.821 -8.201 -4.507 262 3HG2 THR 40 3HG2 THR 40 -9.408 -7.404 -4.631 263 H GLY 41 H GLY 41 -6.349 -9.915 -4.534 264 1HA GLY 41 1HA GLY 41 -6.052 -11.987 -6.021 265 2HA GLY 41 2HA GLY 41 -7.636 -11.544 -6.623 266 H GLY 42 H GLY 42 -6.119 -11.485 -8.667 267 1HA GLY 42 1HA GLY 42 -5.322 -10.195 -10.331 268 2HA GLY 42 2HA GLY 42 -5.841 -8.780 -9.436 269 H LYS 43 H LYS 43 -4.407 -8.109 -7.512 270 HA LYS 43 HA LYS 43 -1.755 -9.060 -7.408 271 2HB LYS 43 2HB LYS 43 -1.694 -7.885 -9.618 272 2HG LYS 43 2HG LYS 43 -1.408 -5.209 -8.672 273 2HD LYS 43 2HD LYS 43 -3.709 -6.435 -10.266 274 2HE LYS 43 2HE LYS 43 -2.735 -3.846 -11.160 275 1HZ LYS 43 1HZ LYS 43 -4.986 -4.895 -11.470 276 2HZ LYS 43 2HZ LYS 43 -5.339 -4.543 -9.920 277 H GLY 44 H GLY 44 -3.845 -8.724 -5.555 278 1HA GLY 44 1HA GLY 44 -4.227 -7.882 -3.509 279 2HA GLY 44 2HA GLY 44 -2.568 -7.319 -3.511 280 H ASN 45 H ASN 45 -5.815 -6.350 -3.402 281 HA ASN 45 HA ASN 45 -5.365 -3.846 -4.732 282 2HB ASN 45 2HB ASN 45 -7.822 -4.284 -3.058 283 1HD2 ASN 45 1HD2 ASN 45 -7.802 -2.004 -3.470 284 2HD2 ASN 45 2HD2 ASN 45 -8.339 -1.372 -4.991 285 H ILE 46 H ILE 46 -5.170 -1.823 -3.608 286 HA ILE 46 HA ILE 46 -4.434 -2.069 -0.826 287 HB ILE 46 HB ILE 46 -4.304 0.175 -2.836 288 2HG1 ILE 46 2HG1 ILE 46 -2.495 -1.969 -1.969 289 1HG2 ILE 46 1HG2 ILE 46 -3.992 1.680 -1.238 290 2HG2 ILE 46 2HG2 ILE 46 -4.482 0.455 -0.043 291 3HG2 ILE 46 3HG2 ILE 46 -2.762 0.663 -0.451 292 1HD1 ILE 46 1HD1 ILE 46 -3.346 -0.719 -4.351 293 2HD1 ILE 46 2HD1 ILE 46 -1.645 -0.229 -4.162 294 3HD1 ILE 46 3HD1 ILE 46 -2.075 -1.956 -4.196 295 H LYS 47 H LYS 47 -5.904 -1.923 0.771 296 HA LYS 47 HA LYS 47 -8.441 -0.642 0.165 297 2HB LYS 47 2HB LYS 47 -9.331 -1.840 1.959 298 2HG LYS 47 2HG LYS 47 -7.226 -3.884 1.531 299 2HD LYS 47 2HD LYS 47 -10.003 -3.796 1.957 300 2HE LYS 47 2HE LYS 47 -10.476 -5.346 -0.234 301 1HZ LYS 47 1HZ LYS 47 -11.620 -3.213 0.652 302 2HZ LYS 47 2HZ LYS 47 -10.772 -2.424 -0.493 303 H ALA 48 H ALA 48 -6.276 1.154 0.173 304 HA ALA 48 HA ALA 48 -7.059 2.787 2.447 305 1HB ALA 48 1HB ALA 48 -4.995 1.459 3.082 306 2HB ALA 48 2HB ALA 48 -4.137 2.294 1.765 307 3HB ALA 48 3HB ALA 48 -4.793 3.226 3.132 308 H GLU 49 H GLU 49 -6.207 5.099 2.119 309 HA GLU 49 HA GLU 49 -6.834 5.812 -0.540 310 2HB GLU 49 2HB GLU 49 -5.927 7.419 1.883 311 2HG GLU 49 2HG GLU 49 -6.624 8.279 -0.945 312 HE2 GLU 49 HE2 GLU 49 -8.299 9.836 -0.911 313 H ILE 50 H ILE 50 -5.419 5.700 -2.224 314 HA ILE 50 HA ILE 50 -2.592 5.650 -1.671 315 HB ILE 50 HB ILE 50 -4.109 5.473 -4.277 316 2HG1 ILE 50 2HG1 ILE 50 -4.855 3.591 -3.200 317 1HG2 ILE 50 1HG2 ILE 50 -2.126 4.774 -5.307 318 2HG2 ILE 50 2HG2 ILE 50 -1.642 6.168 -4.312 319 3HG2 ILE 50 3HG2 ILE 50 -1.299 4.514 -3.753 320 1HD1 ILE 50 1HD1 ILE 50 -3.413 2.941 -5.187 321 2HD1 ILE 50 2HD1 ILE 50 -2.082 2.640 -4.043 322 3HD1 ILE 50 3HD1 ILE 50 -3.571 1.669 -3.952 323 H ILE 51 H ILE 51 -1.079 7.232 -2.192 324 HA ILE 51 HA ILE 51 -2.258 9.844 -2.734 325 HB ILE 51 HB ILE 51 0.220 8.858 -1.395 326 2HG1 ILE 51 2HG1 ILE 51 -2.021 10.769 -0.737 327 1HG2 ILE 51 1HG2 ILE 51 1.218 11.081 -1.450 328 2HG2 ILE 51 2HG2 ILE 51 1.053 10.420 -3.094 329 3HG2 ILE 51 3HG2 ILE 51 -0.086 11.659 -2.513 330 1HD1 ILE 51 1HD1 ILE 51 -1.158 8.897 1.312 331 2HD1 ILE 51 2HD1 ILE 51 -2.751 9.042 0.529 332 3HD1 ILE 51 3HD1 ILE 51 -1.487 8.027 -0.206 333 H GLU 52 H GLU 52 0.628 7.866 -3.731 334 HA GLU 52 HA GLU 52 0.149 8.043 -6.400 335 2HB GLU 52 2HB GLU 52 2.354 9.997 -6.056 336 2HG GLU 52 2HG GLU 52 0.664 9.136 -8.106 337 HE2 GLU 52 HE2 GLU 52 0.562 12.136 -8.924 338 H TYR 53 H TYR 53 2.746 8.208 -7.507 339 HA TYR 53 HA TYR 53 3.855 5.781 -6.500 340 2HB TYR 53 2HB TYR 53 5.591 6.513 -8.348 341 HD1 TYR 53 HD1 TYR 53 2.578 7.829 -9.866 342 HD2 TYR 53 HD2 TYR 53 4.632 4.222 -8.830 343 HE1 TYR 53 HE1 TYR 53 1.121 6.524 -11.489 344 HE2 TYR 53 HE2 TYR 53 3.168 2.929 -10.456 345 HH TYR 53 HH TYR 53 0.543 4.553 -12.201 346 H VAL 54 H VAL 54 5.857 5.432 -5.472 347 HA VAL 54 HA VAL 54 6.800 7.740 -3.991 348 HB VAL 54 HB VAL 54 8.119 5.165 -3.560 349 1HG1 VAL 54 1HG1 VAL 54 6.990 5.780 -1.206 350 2HG1 VAL 54 2HG1 VAL 54 8.470 6.573 -1.798 351 3HG1 VAL 54 3HG1 VAL 54 6.893 7.380 -1.981 352 1HG2 VAL 54 1HG2 VAL 54 6.144 4.052 -4.125 353 2HG2 VAL 54 2HG2 VAL 54 5.993 4.275 -2.367 354 3HG2 VAL 54 3HG2 VAL 54 5.108 5.347 -3.479 355 H ASP 55 H ASP 55 9.359 7.663 -3.623 356 HA ASP 55 HA ASP 55 10.429 7.736 -6.316 357 2HB ASP 55 2HB ASP 55 12.219 8.745 -4.241 358 HD2 ASP 55 HD2 ASP 55 10.695 11.572 -5.367 359 H GLN 56 H GLN 56 10.341 5.841 -3.455 360 HA GLN 56 HA GLN 56 13.030 4.975 -3.460 361 2HB GLN 56 2HB GLN 56 11.499 3.009 -2.157 362 2HG GLN 56 2HG GLN 56 12.169 4.277 -0.081 363 1HE2 GLN 56 1HE2 GLN 56 14.707 5.695 -1.653 364 2HE2 GLN 56 2HE2 GLN 56 15.830 4.378 -1.723 365 H ILE 57 H ILE 57 13.579 4.225 -5.554 366 HA ILE 57 HA ILE 57 11.896 2.313 -6.859 367 HB ILE 57 HB ILE 57 14.722 3.094 -7.560 368 2HG1 ILE 57 2HG1 ILE 57 13.486 5.151 -7.240 369 1HG2 ILE 57 1HG2 ILE 57 13.659 2.711 -9.905 370 2HG2 ILE 57 2HG2 ILE 57 14.157 1.313 -8.923 371 3HG2 ILE 57 3HG2 ILE 57 12.441 1.777 -9.005 372 1HD1 ILE 57 1HD1 ILE 57 13.302 4.722 -10.222 373 2HD1 ILE 57 2HD1 ILE 57 13.948 6.114 -9.319 374 3HD1 ILE 57 3HD1 ILE 57 14.895 4.611 -9.435 375 H GLU 58 H GLU 58 13.073 0.214 -7.726 376 HA GLU 58 HA GLU 58 13.571 -1.315 -5.447 377 2HB GLU 58 2HB GLU 58 14.360 -2.245 -8.211 378 2HG GLU 58 2HG GLU 58 14.258 -3.616 -5.920 379 HE2 GLU 58 HE2 GLU 58 10.359 -4.233 -6.618 Start of MODEL 8 1 1H MET 1 1H MET 1 14.606 -4.006 -8.571 2 HA MET 1 HA MET 1 13.395 -2.610 -10.473 3 2HB MET 1 2HB MET 1 14.146 -5.105 -11.703 4 2HG MET 1 2HG MET 1 16.339 -3.806 -12.105 5 1HE MET 1 1HE MET 1 15.784 -4.428 -14.352 6 2HE MET 1 2HE MET 1 15.055 -3.262 -15.482 7 3HE MET 1 3HE MET 1 16.485 -2.802 -14.527 8 H HIS 2 H HIS 2 12.424 -5.881 -9.328 9 HA HIS 2 HA HIS 2 10.421 -6.141 -11.339 10 2HB HIS 2 2HB HIS 2 10.825 -7.722 -8.787 11 HD1 HIS 2 HD1 HIS 2 9.282 -7.792 -12.292 12 HD2 HIS 2 HD2 HIS 2 9.086 -9.840 -8.636 13 HE1 HIS 2 HE1 HIS 2 7.381 -9.478 -12.518 14 H SER 3 H SER 3 8.184 -5.817 -11.161 15 HA SER 3 HA SER 3 6.324 -4.968 -10.434 16 2HB SER 3 2HB SER 3 6.237 -4.714 -7.725 17 HG SER 3 HG SER 3 5.970 -7.262 -7.894 18 H ARG 4 H ARG 4 5.335 -2.923 -9.541 19 HA ARG 4 HA ARG 4 7.359 -0.862 -9.573 20 2HB ARG 4 2HB ARG 4 4.554 0.052 -9.495 21 2HG ARG 4 2HG ARG 4 6.973 0.354 -11.296 22 2HD ARG 4 2HD ARG 4 4.259 1.609 -11.890 23 HE ARG 4 HE ARG 4 5.696 2.787 -13.296 24 1HH1 ARG 4 1HH1 ARG 4 6.837 -0.562 -13.104 25 2HH1 ARG 4 2HH1 ARG 4 8.095 -0.332 -14.273 26 2HH2 ARG 4 2HH2 ARG 4 8.381 1.825 -15.280 27 H PHE 5 H PHE 5 6.685 1.183 -8.132 28 HA PHE 5 HA PHE 5 5.956 0.115 -5.497 29 2HB PHE 5 2HB PHE 5 8.222 0.933 -5.446 30 HD1 PHE 5 HD1 PHE 5 9.697 1.273 -7.202 31 HD2 PHE 5 HD2 PHE 5 6.539 4.046 -6.619 32 HE1 PHE 5 HE1 PHE 5 10.656 2.742 -8.997 33 HE2 PHE 5 HE2 PHE 5 7.498 5.515 -8.414 34 HZ PHE 5 HZ PHE 5 9.545 4.846 -9.581 35 H VAL 6 H VAL 6 4.483 1.274 -4.188 36 HA VAL 6 HA VAL 6 3.362 3.713 -5.301 37 HB VAL 6 HB VAL 6 1.765 2.473 -6.285 38 1HG1 VAL 6 1HG1 VAL 6 1.034 0.206 -4.974 39 2HG1 VAL 6 2HG1 VAL 6 2.312 0.278 -6.210 40 3HG1 VAL 6 3HG1 VAL 6 2.740 0.332 -4.482 41 1HG2 VAL 6 1HG2 VAL 6 0.799 3.688 -4.199 42 2HG2 VAL 6 2HG2 VAL 6 -0.220 2.512 -5.062 43 3HG2 VAL 6 3HG2 VAL 6 0.585 2.048 -3.543 44 H LYS 7 H LYS 7 3.112 5.186 -3.694 45 HA LYS 7 HA LYS 7 3.411 4.205 -0.972 46 2HB LYS 7 2HB LYS 7 3.949 6.745 -2.410 47 2HG LYS 7 2HG LYS 7 3.229 6.637 0.558 48 2HD LYS 7 2HD LYS 7 3.654 9.129 0.404 49 2HE LYS 7 2HE LYS 7 6.171 7.649 -0.428 50 1HZ LYS 7 1HZ LYS 7 6.937 9.025 1.545 51 2HZ LYS 7 2HZ LYS 7 6.523 9.889 0.228 52 H VAL 8 H VAL 8 1.704 3.920 0.356 53 HA VAL 8 HA VAL 8 -0.752 5.376 -0.341 54 HB VAL 8 HB VAL 8 -1.916 3.370 0.672 55 1HG1 VAL 8 1HG1 VAL 8 -2.164 2.382 -1.402 56 2HG1 VAL 8 2HG1 VAL 8 -1.470 3.956 -1.856 57 3HG1 VAL 8 3HG1 VAL 8 -0.433 2.511 -1.794 58 1HG2 VAL 8 1HG2 VAL 8 0.550 1.783 0.019 59 2HG2 VAL 8 2HG2 VAL 8 0.391 2.543 1.620 60 3HG2 VAL 8 3HG2 VAL 8 -0.826 1.368 1.067 61 H LYS 9 H LYS 9 -2.266 5.538 1.650 62 HA LYS 9 HA LYS 9 -0.670 5.792 4.092 63 2HB LYS 9 2HB LYS 9 -2.195 7.935 2.655 64 2HG LYS 9 2HG LYS 9 -2.048 7.483 5.643 65 2HD LYS 9 2HD LYS 9 -1.605 10.064 4.165 66 2HE LYS 9 2HE LYS 9 -3.197 9.869 6.768 67 1HZ LYS 9 1HZ LYS 9 -3.324 12.393 5.822 68 2HZ LYS 9 2HZ LYS 9 -2.279 11.918 6.976 69 H CYS 10 H CYS 10 -1.725 5.156 5.959 70 HA CYS 10 HA CYS 10 -4.046 3.595 5.580 71 2HB CYS 10 2HB CYS 10 -3.100 4.424 8.308 72 HG CYS 10 HG CYS 10 -3.245 1.683 8.706 73 HA PRO 11 HA PRO 11 -6.857 6.897 6.211 74 2HB PRO 11 2HB PRO 11 -8.351 6.016 4.697 75 2HG PRO 11 2HG PRO 11 -8.028 3.785 4.210 76 2HD PRO 11 2HD PRO 11 -5.798 3.574 4.727 77 H ASP 12 H ASP 12 -7.017 4.001 8.158 78 HA ASP 12 HA ASP 12 -8.485 5.383 10.169 79 2HB ASP 12 2HB ASP 12 -7.288 3.017 11.236 80 HD2 ASP 12 HD2 ASP 12 -11.092 2.765 10.040 81 H CYS 13 H CYS 13 -5.128 4.171 9.566 82 HA CYS 13 HA CYS 13 -4.170 5.000 12.107 83 2HB CYS 13 2HB CYS 13 -2.138 4.665 10.021 84 HG CYS 13 HG CYS 13 -0.807 3.973 11.843 85 H GLU 14 H GLU 14 -4.276 6.288 8.747 86 HA GLU 14 HA GLU 14 -4.192 8.357 8.036 87 2HB GLU 14 2HB GLU 14 -4.132 10.283 9.500 88 2HG GLU 14 2HG GLU 14 -5.459 8.379 11.390 89 HE2 GLU 14 HE2 GLU 14 -7.113 10.190 8.990 90 H HIS 15 H HIS 15 -1.791 6.429 9.032 91 HA HIS 15 HA HIS 15 0.346 8.372 8.674 92 2HB HIS 15 2HB HIS 15 0.661 5.444 9.333 93 HD1 HIS 15 HD1 HIS 15 2.077 8.698 10.775 94 HD2 HIS 15 HD2 HIS 15 3.349 5.208 8.824 95 HE1 HIS 15 HE1 HIS 15 4.627 8.780 10.751 96 H GLU 16 H GLU 16 2.023 8.028 7.060 97 HA GLU 16 HA GLU 16 0.879 6.874 4.692 98 2HB GLU 16 2HB GLU 16 2.830 7.945 3.551 99 2HG GLU 16 2HG GLU 16 1.077 9.520 5.449 100 HE2 GLU 16 HE2 GLU 16 2.105 12.166 5.599 101 H GLN 17 H GLN 17 1.686 5.071 3.568 102 HA GLN 17 HA GLN 17 4.076 3.850 4.647 103 2HB GLN 17 2HB GLN 17 2.367 1.659 4.191 104 2HG GLN 17 2HG GLN 17 3.116 3.071 6.796 105 1HE2 GLN 17 1HE2 GLN 17 2.847 -0.219 5.468 106 2HE2 GLN 17 2HE2 GLN 17 1.844 -0.881 6.715 107 H VAL 18 H VAL 18 5.007 2.195 3.153 108 HA VAL 18 HA VAL 18 4.093 2.683 0.402 109 HB VAL 18 HB VAL 18 6.873 2.087 1.435 110 1HG1 VAL 18 1HG1 VAL 18 5.690 2.287 -1.302 111 2HG1 VAL 18 2HG1 VAL 18 7.314 2.967 -1.043 112 3HG1 VAL 18 3HG1 VAL 18 7.002 1.251 -0.692 113 1HG2 VAL 18 1HG2 VAL 18 5.446 4.637 0.750 114 2HG2 VAL 18 2HG2 VAL 18 6.589 4.287 2.069 115 3HG2 VAL 18 3HG2 VAL 18 7.187 4.497 0.406 116 H ILE 19 H ILE 19 3.066 0.953 -0.446 117 HA ILE 19 HA ILE 19 4.175 -1.680 0.176 118 HB ILE 19 HB ILE 19 1.899 -2.581 0.405 119 2HG1 ILE 19 2HG1 ILE 19 1.096 -0.088 -0.602 120 1HG2 ILE 19 1HG2 ILE 19 3.276 -0.843 2.308 121 2HG2 ILE 19 2HG2 ILE 19 1.537 -1.008 2.648 122 3HG2 ILE 19 3HG2 ILE 19 2.563 -2.458 2.531 123 1HD1 ILE 19 1HD1 ILE 19 -0.170 -2.027 -1.130 124 2HD1 ILE 19 2HD1 ILE 19 -0.319 -2.500 0.579 125 3HD1 ILE 19 3HD1 ILE 19 -1.237 -1.108 -0.041 126 H PHE 20 H PHE 20 3.284 -3.362 -1.433 127 HA PHE 20 HA PHE 20 3.669 -2.265 -4.036 128 2HB PHE 20 2HB PHE 20 3.567 -4.668 -4.648 129 HD1 PHE 20 HD1 PHE 20 5.938 -3.471 -4.218 130 HD2 PHE 20 HD2 PHE 20 3.946 -6.028 -1.479 131 HE1 PHE 20 HE1 PHE 20 8.127 -3.979 -3.099 132 HE2 PHE 20 HE2 PHE 20 6.134 -6.536 -0.361 133 HZ PHE 20 HZ PHE 20 8.199 -5.505 -1.184 134 H ASP 21 H ASP 21 2.193 -2.400 -5.845 135 HA ASP 21 HA ASP 21 -0.489 -1.922 -5.000 136 2HB ASP 21 2HB ASP 21 0.585 -0.544 -6.767 137 HD2 ASP 21 HD2 ASP 21 2.701 -2.068 -8.861 138 H HIS 22 H HIS 22 1.291 -4.678 -5.499 139 HA HIS 22 HA HIS 22 -1.042 -6.240 -6.026 140 2HB HIS 22 2HB HIS 22 -0.594 -5.881 -8.301 141 HD1 HIS 22 HD1 HIS 22 1.120 -5.987 -10.391 142 HD2 HIS 22 HD2 HIS 22 2.855 -5.673 -6.584 143 HE1 HIS 22 HE1 HIS 22 3.534 -5.249 -10.764 144 HA PRO 23 HA PRO 23 2.213 -7.982 -3.350 145 2HB PRO 23 2HB PRO 23 1.963 -6.697 -1.455 146 2HG PRO 23 2HG PRO 23 0.126 -5.303 -1.473 147 2HD PRO 23 2HD PRO 23 -0.198 -5.083 -3.739 148 H SER 24 H SER 24 2.171 -10.004 -1.915 149 HA SER 24 HA SER 24 0.099 -11.675 -3.110 150 2HB SER 24 2HB SER 24 2.194 -12.459 -3.916 151 HG SER 24 HG SER 24 3.105 -11.689 -1.362 152 H THR 25 H THR 25 1.793 -10.631 -0.162 153 HA THR 25 HA THR 25 0.103 -12.438 1.429 154 HB THR 25 HB THR 25 1.927 -11.466 3.187 155 HG1 THR 25 HG1 THR 25 3.247 -10.222 1.895 156 1HG2 THR 25 1HG2 THR 25 3.584 -13.275 2.110 157 2HG2 THR 25 2HG2 THR 25 2.083 -13.802 2.909 158 3HG2 THR 25 3HG2 THR 25 2.151 -13.682 1.135 159 H ILE 26 H ILE 26 -0.746 -11.535 3.508 160 HA ILE 26 HA ILE 26 -2.286 -9.263 2.923 161 HB ILE 26 HB ILE 26 -1.763 -10.652 5.554 162 2HG1 ILE 26 2HG1 ILE 26 -2.634 -12.064 3.621 163 1HG2 ILE 26 1HG2 ILE 26 -4.022 -9.701 6.139 164 2HG2 ILE 26 2HG2 ILE 26 -2.694 -8.521 6.034 165 3HG2 ILE 26 3HG2 ILE 26 -3.871 -8.657 4.706 166 1HD1 ILE 26 1HD1 ILE 26 -4.379 -11.653 6.094 167 2HD1 ILE 26 2HD1 ILE 26 -4.447 -13.073 5.021 168 3HD1 ILE 26 3HD1 ILE 26 -2.974 -12.739 5.964 169 H VAL 27 H VAL 27 -2.110 -7.105 3.532 170 HA VAL 27 HA VAL 27 0.540 -6.379 4.550 171 HB VAL 27 HB VAL 27 -1.492 -4.694 3.077 172 1HG1 VAL 27 1HG1 VAL 27 0.124 -3.019 2.940 173 2HG1 VAL 27 2HG1 VAL 27 0.344 -3.643 4.593 174 3HG1 VAL 27 3HG1 VAL 27 1.462 -4.136 3.298 175 1HG2 VAL 27 1HG2 VAL 27 0.090 -6.802 2.054 176 2HG2 VAL 27 2HG2 VAL 27 -0.832 -5.584 1.142 177 3HG2 VAL 27 3HG2 VAL 27 0.877 -5.290 1.542 178 H LYS 28 H LYS 28 0.611 -5.963 6.693 179 HA LYS 28 HA LYS 28 -1.830 -4.878 7.907 180 2HB LYS 28 2HB LYS 28 -0.395 -5.693 10.029 181 2HG LYS 28 2HG LYS 28 -1.826 -7.814 8.416 182 2HD LYS 28 2HD LYS 28 -2.626 -7.053 11.187 183 2HE LYS 28 2HE LYS 28 -1.782 -9.736 10.002 184 1HZ LYS 28 1HZ LYS 28 -2.165 -10.270 12.153 185 2HZ LYS 28 2HZ LYS 28 -2.887 -8.855 12.513 186 H CYS 29 H CYS 29 -1.771 -2.936 9.027 187 HA CYS 29 HA CYS 29 0.110 -1.082 8.269 188 2HB CYS 29 2HB CYS 29 -1.389 -0.794 10.865 189 HG CYS 29 HG CYS 29 -1.634 1.649 10.431 190 H ILE 30 H ILE 30 2.228 -0.795 8.888 191 HA ILE 30 HA ILE 30 3.376 -2.474 10.839 192 HB ILE 30 HB ILE 30 5.364 -0.908 10.446 193 2HG1 ILE 30 2HG1 ILE 30 3.455 0.760 9.368 194 1HG2 ILE 30 1HG2 ILE 30 4.893 -1.882 7.790 195 2HG2 ILE 30 2HG2 ILE 30 5.952 -2.536 9.062 196 3HG2 ILE 30 3HG2 ILE 30 4.251 -3.052 8.969 197 1HD1 ILE 30 1HD1 ILE 30 6.255 0.938 8.297 198 2HD1 ILE 30 2HD1 ILE 30 5.251 2.192 9.065 199 3HD1 ILE 30 3HD1 ILE 30 6.056 0.960 10.066 200 H ILE 31 H ILE 31 1.447 0.316 11.103 201 HA ILE 31 HA ILE 31 2.780 1.445 13.370 202 HB ILE 31 HB ILE 31 -0.017 1.927 12.341 203 2HG1 ILE 31 2HG1 ILE 31 1.233 3.989 11.313 204 1HG2 ILE 31 1HG2 ILE 31 0.723 4.270 13.375 205 2HG2 ILE 31 2HG2 ILE 31 -0.055 2.996 14.346 206 3HG2 ILE 31 3HG2 ILE 31 1.713 3.205 14.402 207 1HD1 ILE 31 1HD1 ILE 31 3.486 3.654 10.689 208 2HD1 ILE 31 2HD1 ILE 31 3.457 3.076 12.373 209 3HD1 ILE 31 3HD1 ILE 31 3.419 1.908 11.029 210 H CYS 32 H CYS 32 -0.644 0.293 13.181 211 HA CYS 32 HA CYS 32 -0.290 -0.746 15.871 212 2HB CYS 32 2HB CYS 32 -2.720 -0.036 14.219 213 HG CYS 32 HG CYS 32 -2.959 -0.986 17.312 214 H GLY 33 H GLY 33 -1.566 -1.674 12.594 215 1HA GLY 33 1HA GLY 33 -0.585 -3.876 11.864 216 2HA GLY 33 2HA GLY 33 -1.236 -4.509 13.362 217 H ARG 34 H ARG 34 -2.849 -1.957 11.431 218 HA ARG 34 HA ARG 34 -5.104 -3.718 11.211 219 2HB ARG 34 2HB ARG 34 -4.884 -1.015 11.712 220 2HG ARG 34 2HG ARG 34 -5.883 -1.249 8.840 221 2HD ARG 34 2HD ARG 34 -6.198 1.070 8.922 222 HE ARG 34 HE ARG 34 -6.628 0.965 11.799 223 1HH1 ARG 34 1HH1 ARG 34 -7.831 -0.267 8.702 224 2HH1 ARG 34 2HH1 ARG 34 -9.429 -0.568 9.302 225 2HH2 ARG 34 2HH2 ARG 34 -9.937 -0.070 11.590 226 H THR 35 H THR 35 -6.125 -4.263 9.164 227 HA THR 35 HA THR 35 -4.324 -4.746 7.062 228 HB THR 35 HB THR 35 -7.363 -4.696 6.838 229 HG1 THR 35 HG1 THR 35 -7.307 -6.118 8.531 230 1HG2 THR 35 1HG2 THR 35 -5.449 -6.929 6.069 231 2HG2 THR 35 2HG2 THR 35 -7.064 -6.570 5.410 232 3HG2 THR 35 3HG2 THR 35 -5.676 -5.544 4.974 233 H VAL 36 H VAL 36 -3.582 -3.529 5.443 234 HA VAL 36 HA VAL 36 -5.037 -1.028 4.936 235 HB VAL 36 HB VAL 36 -2.743 -0.326 4.025 236 1HG1 VAL 36 1HG1 VAL 36 -3.317 0.859 5.897 237 2HG1 VAL 36 2HG1 VAL 36 -3.592 -0.602 6.877 238 3HG1 VAL 36 3HG1 VAL 36 -1.931 -0.048 6.550 239 1HG2 VAL 36 1HG2 VAL 36 -1.797 -2.647 4.052 240 2HG2 VAL 36 2HG2 VAL 36 -0.796 -1.442 4.899 241 3HG2 VAL 36 3HG2 VAL 36 -1.802 -2.576 5.831 242 H ALA 37 H ALA 37 -3.972 -4.106 3.706 243 HA ALA 37 HA ALA 37 -5.306 -3.590 1.232 244 1HB ALA 37 1HB ALA 37 -3.181 -2.570 0.660 245 2HB ALA 37 2HB ALA 37 -2.288 -3.973 1.293 246 3HB ALA 37 3HB ALA 37 -3.291 -4.143 -0.168 247 H GLU 38 H GLU 38 -6.058 -5.519 0.342 248 HA GLU 38 HA GLU 38 -5.050 -7.921 1.654 249 2HB GLU 38 2HB GLU 38 -7.857 -8.062 0.740 250 2HG GLU 38 2HG GLU 38 -7.395 -8.434 3.589 251 HE2 GLU 38 HE2 GLU 38 -6.763 -11.292 2.279 252 HA PRO 39 HA PRO 39 -4.497 -9.239 -2.457 253 2HB PRO 39 2HB PRO 39 -2.691 -10.540 -1.866 254 2HG PRO 39 2HG PRO 39 -2.577 -11.070 0.375 255 2HD PRO 39 2HD PRO 39 -3.794 -9.335 1.267 256 H THR 40 H THR 40 -6.196 -9.186 -3.790 257 HA THR 40 HA THR 40 -8.398 -10.966 -3.133 258 HB THR 40 HB THR 40 -9.632 -9.571 -4.642 259 HG1 THR 40 HG1 THR 40 -8.522 -8.594 -6.376 260 1HG2 THR 40 1HG2 THR 40 -8.467 -8.290 -2.623 261 2HG2 THR 40 2HG2 THR 40 -7.458 -7.582 -3.907 262 3HG2 THR 40 3HG2 THR 40 -9.223 -7.348 -3.930 263 H GLY 41 H GLY 41 -9.407 -12.322 -4.834 264 1HA GLY 41 1HA GLY 41 -7.906 -14.349 -5.699 265 2HA GLY 41 2HA GLY 41 -9.314 -13.782 -6.574 266 H GLY 42 H GLY 42 -8.645 -11.427 -7.749 267 1HA GLY 42 1HA GLY 42 -6.854 -12.240 -9.819 268 2HA GLY 42 2HA GLY 42 -7.679 -10.702 -9.658 269 H LYS 43 H LYS 43 -6.669 -8.931 -8.581 270 HA LYS 43 HA LYS 43 -3.881 -9.444 -7.810 271 2HB LYS 43 2HB LYS 43 -3.427 -7.120 -8.710 272 2HG LYS 43 2HG LYS 43 -3.513 -9.632 -10.004 273 2HD LYS 43 2HD LYS 43 -5.552 -8.637 -11.232 274 2HE LYS 43 2HE LYS 43 -4.649 -6.310 -11.437 275 1HZ LYS 43 1HZ LYS 43 -2.942 -6.846 -13.649 276 2HZ LYS 43 2HZ LYS 43 -2.616 -5.983 -12.308 277 H GLY 44 H GLY 44 -3.083 -8.258 -6.015 278 1HA GLY 44 1HA GLY 44 -4.760 -7.884 -3.892 279 2HA GLY 44 2HA GLY 44 -3.201 -7.106 -4.083 280 H ASN 45 H ASN 45 -5.806 -6.105 -2.898 281 HA ASN 45 HA ASN 45 -6.099 -3.809 -4.672 282 2HB ASN 45 2HB ASN 45 -8.288 -4.143 -2.734 283 1HD2 ASN 45 1HD2 ASN 45 -9.258 -2.416 -3.546 284 2HD2 ASN 45 2HD2 ASN 45 -9.750 -2.194 -5.191 285 H ILE 46 H ILE 46 -5.673 -1.793 -3.687 286 HA ILE 46 HA ILE 46 -4.712 -1.873 -0.972 287 HB ILE 46 HB ILE 46 -4.845 0.345 -3.018 288 2HG1 ILE 46 2HG1 ILE 46 -3.339 -1.192 -3.894 289 1HG2 ILE 46 1HG2 ILE 46 -2.910 0.620 -0.845 290 2HG2 ILE 46 2HG2 ILE 46 -4.061 1.799 -1.519 291 3HG2 ILE 46 3HG2 ILE 46 -4.599 0.636 -0.282 292 1HD1 ILE 46 1HD1 ILE 46 -1.321 0.075 -2.072 293 2HD1 ILE 46 2HD1 ILE 46 -1.328 -0.052 -3.848 294 3HD1 ILE 46 3HD1 ILE 46 -2.339 1.170 -3.038 295 H LYS 47 H LYS 47 -6.097 -1.748 0.706 296 HA LYS 47 HA LYS 47 -8.642 -0.411 0.273 297 2HB LYS 47 2HB LYS 47 -9.443 -1.608 2.108 298 2HG LYS 47 2HG LYS 47 -7.415 -3.693 1.545 299 2HD LYS 47 2HD LYS 47 -9.983 -3.769 2.323 300 2HE LYS 47 2HE LYS 47 -10.335 -4.302 -0.634 301 1HZ LYS 47 1HZ LYS 47 -11.940 -4.720 1.437 302 2HZ LYS 47 2HZ LYS 47 -12.389 -3.190 1.112 303 H ALA 48 H ALA 48 -6.361 1.288 0.185 304 HA ALA 48 HA ALA 48 -7.003 2.962 2.471 305 1HB ALA 48 1HB ALA 48 -4.132 2.285 1.722 306 2HB ALA 48 2HB ALA 48 -4.684 3.306 3.072 307 3HB ALA 48 3HB ALA 48 -5.005 1.554 3.092 308 H GLU 49 H GLU 49 -6.139 5.235 2.111 309 HA GLU 49 HA GLU 49 -6.722 5.938 -0.561 310 2HB GLU 49 2HB GLU 49 -5.785 7.585 1.828 311 2HG GLU 49 2HG GLU 49 -6.659 8.374 -0.978 312 HE2 GLU 49 HE2 GLU 49 -7.057 11.717 0.717 313 H ILE 50 H ILE 50 -5.305 5.979 -2.248 314 HA ILE 50 HA ILE 50 -2.490 5.754 -1.680 315 HB ILE 50 HB ILE 50 -3.994 5.840 -4.297 316 2HG1 ILE 50 2HG1 ILE 50 -4.811 3.925 -3.285 317 1HG2 ILE 50 1HG2 ILE 50 -2.037 5.162 -5.379 318 2HG2 ILE 50 2HG2 ILE 50 -1.496 6.440 -4.263 319 3HG2 ILE 50 3HG2 ILE 50 -1.227 4.729 -3.854 320 1HD1 ILE 50 1HD1 ILE 50 -3.690 2.023 -4.308 321 2HD1 ILE 50 2HD1 ILE 50 -3.563 3.401 -5.429 322 3HD1 ILE 50 3HD1 ILE 50 -2.165 2.933 -4.432 323 H ILE 51 H ILE 51 -0.891 7.289 -2.113 324 HA ILE 51 HA ILE 51 -1.943 9.992 -2.435 325 HB ILE 51 HB ILE 51 0.469 8.778 -1.174 326 2HG1 ILE 51 2HG1 ILE 51 -1.662 10.769 -0.404 327 1HG2 ILE 51 1HG2 ILE 51 1.721 10.254 -2.400 328 2HG2 ILE 51 2HG2 ILE 51 0.393 11.430 -2.560 329 3HG2 ILE 51 3HG2 ILE 51 1.270 11.281 -1.018 330 1HD1 ILE 51 1HD1 ILE 51 -2.406 9.091 0.944 331 2HD1 ILE 51 2HD1 ILE 51 -1.410 8.018 -0.070 332 3HD1 ILE 51 3HD1 ILE 51 -0.758 8.660 1.457 333 H GLU 52 H GLU 52 0.640 7.785 -3.701 334 HA GLU 52 HA GLU 52 0.237 8.210 -6.295 335 2HB GLU 52 2HB GLU 52 2.460 10.008 -6.258 336 2HG GLU 52 2HG GLU 52 0.160 11.485 -6.918 337 HE2 GLU 52 HE2 GLU 52 1.204 12.323 -9.128 338 H TYR 53 H TYR 53 2.794 8.353 -7.454 339 HA TYR 53 HA TYR 53 3.871 5.863 -6.612 340 2HB TYR 53 2HB TYR 53 5.638 6.730 -8.393 341 HD1 TYR 53 HD1 TYR 53 5.092 4.684 -9.494 342 HD2 TYR 53 HD2 TYR 53 2.236 7.868 -9.361 343 HE1 TYR 53 HE1 TYR 53 3.650 3.472 -11.202 344 HE2 TYR 53 HE2 TYR 53 0.805 6.646 -11.071 345 HH TYR 53 HH TYR 53 1.655 3.396 -12.138 346 H VAL 54 H VAL 54 5.793 5.389 -5.527 347 HA VAL 54 HA VAL 54 6.754 7.482 -3.820 348 HB VAL 54 HB VAL 54 8.122 4.859 -3.950 349 1HG1 VAL 54 1HG1 VAL 54 7.613 6.970 -2.050 350 2HG1 VAL 54 2HG1 VAL 54 7.053 5.414 -1.391 351 3HG1 VAL 54 3HG1 VAL 54 8.738 5.594 -1.937 352 1HG2 VAL 54 1HG2 VAL 54 6.109 3.814 -4.303 353 2HG2 VAL 54 2HG2 VAL 54 6.048 3.994 -2.533 354 3HG2 VAL 54 3HG2 VAL 54 5.165 5.136 -3.575 355 H ASP 55 H ASP 55 9.251 7.675 -3.534 356 HA ASP 55 HA ASP 55 10.267 8.172 -6.195 357 2HB ASP 55 2HB ASP 55 10.896 9.174 -3.415 358 HD2 ASP 55 HD2 ASP 55 14.178 8.905 -3.946 359 H GLN 56 H GLN 56 12.181 7.626 -3.191 360 HA GLN 56 HA GLN 56 14.202 6.280 -4.173 361 2HB GLN 56 2HB GLN 56 13.368 4.917 -1.726 362 2HG GLN 56 2HG GLN 56 15.436 7.088 -2.317 363 1HE2 GLN 56 1HE2 GLN 56 14.579 7.918 -0.227 364 2HE2 GLN 56 2HE2 GLN 56 15.221 7.267 1.245 365 H ILE 57 H ILE 57 13.939 4.839 -5.889 366 HA ILE 57 HA ILE 57 11.961 2.789 -5.779 367 HB ILE 57 HB ILE 57 14.301 3.065 -7.663 368 2HG1 ILE 57 2HG1 ILE 57 13.113 5.182 -7.612 369 1HG2 ILE 57 1HG2 ILE 57 11.758 1.471 -7.659 370 2HG2 ILE 57 2HG2 ILE 57 12.483 1.992 -9.198 371 3HG2 ILE 57 3HG2 ILE 57 13.416 0.975 -8.074 372 1HD1 ILE 57 1HD1 ILE 57 13.144 5.325 -9.878 373 2HD1 ILE 57 2HD1 ILE 57 13.483 3.577 -9.883 374 3HD1 ILE 57 3HD1 ILE 57 11.808 4.160 -10.038 375 H GLU 58 H GLU 58 12.739 0.412 -6.256 376 HA GLU 58 HA GLU 58 14.163 -0.348 -3.960 377 2HB GLU 58 2HB GLU 58 13.578 -2.167 -6.318 378 2HG GLU 58 2HG GLU 58 14.632 -2.637 -3.780 379 HE2 GLU 58 HE2 GLU 58 12.301 -4.915 -3.563 Start of MODEL 9 1 1H MET 1 1H MET 1 9.282 -10.856 -13.844 2 HA MET 1 HA MET 1 9.138 -8.873 -14.726 3 2HB MET 1 2HB MET 1 6.860 -7.650 -14.328 4 2HG MET 1 2HG MET 1 6.511 -10.588 -15.038 5 1HE MET 1 1HE MET 1 5.447 -10.996 -17.108 6 2HE MET 1 2HE MET 1 3.753 -10.817 -16.594 7 3HE MET 1 3HE MET 1 4.349 -9.930 -18.017 8 H HIS 2 H HIS 2 8.767 -6.368 -14.254 9 HA HIS 2 HA HIS 2 10.170 -5.884 -11.773 10 2HB HIS 2 2HB HIS 2 9.756 -3.459 -13.134 11 HD1 HIS 2 HD1 HIS 2 12.099 -6.449 -12.816 12 HD2 HIS 2 HD2 HIS 2 12.261 -2.277 -13.218 13 HE1 HIS 2 HE1 HIS 2 14.540 -5.792 -12.474 14 H SER 3 H SER 3 9.347 -4.768 -10.011 15 HA SER 3 HA SER 3 6.509 -4.151 -10.234 16 2HB SER 3 2HB SER 3 6.370 -4.540 -7.814 17 HG SER 3 HG SER 3 6.545 -6.431 -9.413 18 H ARG 4 H ARG 4 5.732 -2.117 -9.450 19 HA ARG 4 HA ARG 4 7.860 -0.177 -9.167 20 2HB ARG 4 2HB ARG 4 5.274 1.085 -9.265 21 2HG ARG 4 2HG ARG 4 7.667 0.789 -11.087 22 2HD ARG 4 2HD ARG 4 5.662 2.702 -12.071 23 HE ARG 4 HE ARG 4 7.253 2.169 -13.719 24 1HH1 ARG 4 1HH1 ARG 4 5.807 -0.816 -12.475 25 2HH1 ARG 4 2HH1 ARG 4 6.524 -1.818 -13.693 26 2HH2 ARG 4 2HH2 ARG 4 7.927 -0.818 -15.358 27 H PHE 5 H PHE 5 7.161 1.798 -7.645 28 HA PHE 5 HA PHE 5 6.167 0.585 -5.166 29 2HB PHE 5 2HB PHE 5 8.403 1.366 -4.819 30 HD1 PHE 5 HD1 PHE 5 6.919 4.507 -6.183 31 HD2 PHE 5 HD2 PHE 5 10.107 1.712 -6.341 32 HE1 PHE 5 HE1 PHE 5 8.114 5.964 -7.842 33 HE2 PHE 5 HE2 PHE 5 11.303 3.168 -7.999 34 HZ PHE 5 HZ PHE 5 10.292 5.277 -8.730 35 H VAL 6 H VAL 6 4.653 1.734 -3.864 36 HA VAL 6 HA VAL 6 3.612 4.216 -4.963 37 HB VAL 6 HB VAL 6 1.499 3.488 -5.377 38 1HG1 VAL 6 1HG1 VAL 6 3.239 2.273 -6.823 39 2HG1 VAL 6 2HG1 VAL 6 2.858 0.828 -5.855 40 3HG1 VAL 6 3HG1 VAL 6 1.583 1.619 -6.812 41 1HG2 VAL 6 1HG2 VAL 6 1.050 2.573 -3.158 42 2HG2 VAL 6 2HG2 VAL 6 0.460 1.461 -4.417 43 3HG2 VAL 6 3HG2 VAL 6 1.975 1.105 -3.554 44 H LYS 7 H LYS 7 3.182 5.650 -3.345 45 HA LYS 7 HA LYS 7 3.451 4.635 -0.635 46 2HB LYS 7 2HB LYS 7 3.841 7.248 -2.003 47 2HG LYS 7 2HG LYS 7 3.081 6.961 0.943 48 2HD LYS 7 2HD LYS 7 3.501 9.412 1.044 49 2HE LYS 7 2HE LYS 7 6.001 8.134 -0.123 50 1HZ LYS 7 1HZ LYS 7 7.021 9.705 1.128 51 2HZ LYS 7 2HZ LYS 7 5.590 10.483 1.149 52 H VAL 8 H VAL 8 1.716 4.170 0.597 53 HA VAL 8 HA VAL 8 -0.814 5.458 -0.167 54 HB VAL 8 HB VAL 8 -1.668 3.302 1.120 55 1HG1 VAL 8 1HG1 VAL 8 -2.580 3.052 -0.898 56 2HG1 VAL 8 2HG1 VAL 8 -1.310 4.066 -1.624 57 3HG1 VAL 8 3HG1 VAL 8 -1.069 2.309 -1.476 58 1HG2 VAL 8 1HG2 VAL 8 -0.268 1.331 0.496 59 2HG2 VAL 8 2HG2 VAL 8 1.025 2.451 0.005 60 3HG2 VAL 8 3HG2 VAL 8 0.495 2.393 1.703 61 H LYS 9 H LYS 9 -2.394 5.555 1.778 62 HA LYS 9 HA LYS 9 -0.911 5.989 4.261 63 2HB LYS 9 2HB LYS 9 -2.562 8.008 2.756 64 2HG LYS 9 2HG LYS 9 -1.873 8.095 5.729 65 2HD LYS 9 2HD LYS 9 -3.708 9.930 4.138 66 2HE LYS 9 2HE LYS 9 -2.150 10.726 6.586 67 1HZ LYS 9 1HZ LYS 9 -4.619 11.620 6.861 68 2HZ LYS 9 2HZ LYS 9 -3.539 12.416 5.940 69 H CYS 10 H CYS 10 -1.969 5.248 6.065 70 HA CYS 10 HA CYS 10 -4.242 3.635 5.629 71 2HB CYS 10 2HB CYS 10 -3.346 4.467 8.376 72 HG CYS 10 HG CYS 10 -3.371 1.559 8.442 73 HA PRO 11 HA PRO 11 -7.146 6.862 6.234 74 2HB PRO 11 2HB PRO 11 -8.575 5.976 4.660 75 2HG PRO 11 2HG PRO 11 -8.183 3.764 4.139 76 2HD PRO 11 2HD PRO 11 -5.963 3.597 4.714 77 H ASP 12 H ASP 12 -7.244 3.936 8.129 78 HA ASP 12 HA ASP 12 -8.814 5.239 10.124 79 2HB ASP 12 2HB ASP 12 -7.277 2.665 10.558 80 HD2 ASP 12 HD2 ASP 12 -10.000 1.491 10.655 81 H CYS 13 H CYS 13 -5.421 4.085 9.599 82 HA CYS 13 HA CYS 13 -4.557 4.927 12.175 83 2HB CYS 13 2HB CYS 13 -2.461 4.571 10.151 84 HG CYS 13 HG CYS 13 -2.034 4.720 12.755 85 H GLU 14 H GLU 14 -4.913 6.298 8.928 86 HA GLU 14 HA GLU 14 -4.676 8.313 8.152 87 2HB GLU 14 2HB GLU 14 -4.217 10.219 9.935 88 2HG GLU 14 2HG GLU 14 -6.765 8.779 10.563 89 HE2 GLU 14 HE2 GLU 14 -8.495 10.650 9.841 90 H HIS 15 H HIS 15 -2.281 6.440 9.201 91 HA HIS 15 HA HIS 15 -0.173 8.435 8.978 92 2HB HIS 15 2HB HIS 15 0.007 5.496 9.694 93 HD1 HIS 15 HD1 HIS 15 2.321 5.242 8.486 94 HD2 HIS 15 HD2 HIS 15 2.168 8.317 11.335 95 HE1 HIS 15 HE1 HIS 15 4.737 5.942 8.913 96 H GLU 16 H GLU 16 1.590 8.143 7.436 97 HA GLU 16 HA GLU 16 0.562 7.050 4.988 98 2HB GLU 16 2HB GLU 16 2.686 8.108 4.033 99 2HG GLU 16 2HG GLU 16 0.609 9.682 5.592 100 HE2 GLU 16 HE2 GLU 16 0.607 11.986 4.930 101 H GLN 17 H GLN 17 1.437 5.288 3.846 102 HA GLN 17 HA GLN 17 3.758 4.029 5.033 103 2HB GLN 17 2HB GLN 17 2.103 1.862 4.342 104 2HG GLN 17 2HG GLN 17 1.820 2.301 7.132 105 1HE2 GLN 17 1HE2 GLN 17 1.388 0.112 6.261 106 2HE2 GLN 17 2HE2 GLN 17 2.683 -1.038 6.217 107 H VAL 18 H VAL 18 4.709 2.320 3.536 108 HA VAL 18 HA VAL 18 4.004 2.930 0.749 109 HB VAL 18 HB VAL 18 6.739 2.513 1.972 110 1HG1 VAL 18 1HG1 VAL 18 7.034 1.594 -0.121 111 2HG1 VAL 18 2HG1 VAL 18 5.776 2.608 -0.868 112 3HG1 VAL 18 3HG1 VAL 18 7.363 3.309 -0.468 113 1HG2 VAL 18 1HG2 VAL 18 5.271 4.950 0.960 114 2HG2 VAL 18 2HG2 VAL 18 6.114 4.710 2.508 115 3HG2 VAL 18 3HG2 VAL 18 7.049 4.886 1.004 116 H ILE 19 H ILE 19 3.123 1.167 -0.191 117 HA ILE 19 HA ILE 19 4.364 -1.409 0.399 118 HB ILE 19 HB ILE 19 2.182 -2.474 0.595 119 2HG1 ILE 19 2HG1 ILE 19 1.225 0.126 -0.265 120 1HG2 ILE 19 1HG2 ILE 19 1.980 -0.398 2.693 121 2HG2 ILE 19 2HG2 ILE 19 2.098 -2.168 2.826 122 3HG2 ILE 19 3HG2 ILE 19 3.562 -1.198 2.536 123 1HD1 ILE 19 1HD1 ILE 19 0.715 -2.500 -0.838 124 2HD1 ILE 19 2HD1 ILE 19 -0.638 -2.143 0.261 125 3HD1 ILE 19 3HD1 ILE 19 -0.411 -1.175 -1.215 126 H PHE 20 H PHE 20 3.584 -3.097 -1.277 127 HA PHE 20 HA PHE 20 4.005 -1.928 -3.834 128 2HB PHE 20 2HB PHE 20 3.778 -4.373 -4.502 129 HD1 PHE 20 HD1 PHE 20 6.159 -3.353 -4.626 130 HD2 PHE 20 HD2 PHE 20 4.638 -5.364 -1.212 131 HE1 PHE 20 HE1 PHE 20 8.501 -3.760 -3.822 132 HE2 PHE 20 HE2 PHE 20 6.981 -5.771 -0.408 133 HZ PHE 20 HZ PHE 20 8.884 -4.965 -1.722 134 H ASP 21 H ASP 21 2.589 -2.074 -5.702 135 HA ASP 21 HA ASP 21 -0.126 -1.641 -4.931 136 2HB ASP 21 2HB ASP 21 1.017 -1.732 -7.754 137 HD2 ASP 21 HD2 ASP 21 -0.497 0.972 -6.421 138 H HIS 22 H HIS 22 1.583 -4.386 -5.209 139 HA HIS 22 HA HIS 22 -0.672 -5.940 -5.951 140 2HB HIS 22 2HB HIS 22 0.037 -5.448 -8.195 141 HD1 HIS 22 HD1 HIS 22 2.186 -7.080 -9.773 142 HD2 HIS 22 HD2 HIS 22 3.009 -4.565 -6.519 143 HE1 HIS 22 HE1 HIS 22 4.635 -6.401 -9.997 144 HA PRO 23 HA PRO 23 2.408 -7.682 -3.075 145 2HB PRO 23 2HB PRO 23 2.039 -6.398 -1.199 146 2HG PRO 23 2HG PRO 23 0.208 -5.003 -1.333 147 2HD PRO 23 2HD PRO 23 0.028 -4.782 -3.614 148 H SER 24 H SER 24 2.342 -9.727 -1.734 149 HA SER 24 HA SER 24 0.288 -11.376 -2.987 150 2HB SER 24 2HB SER 24 2.409 -13.000 -1.945 151 HG SER 24 HG SER 24 1.979 -12.207 -4.694 152 H THR 25 H THR 25 1.933 -10.378 0.001 153 HA THR 25 HA THR 25 0.233 -12.224 1.535 154 HB THR 25 HB THR 25 2.041 -11.255 3.328 155 HG1 THR 25 HG1 THR 25 3.763 -10.409 2.190 156 1HG2 THR 25 1HG2 THR 25 3.047 -13.328 3.175 157 2HG2 THR 25 2HG2 THR 25 1.736 -13.680 2.024 158 3HG2 THR 25 3HG2 THR 25 3.330 -13.159 1.427 159 H ILE 26 H ILE 26 -0.645 -11.364 3.621 160 HA ILE 26 HA ILE 26 -2.183 -9.084 3.061 161 HB ILE 26 HB ILE 26 -1.697 -10.524 5.671 162 2HG1 ILE 26 2HG1 ILE 26 -2.515 -11.929 3.736 163 1HG2 ILE 26 1HG2 ILE 26 -3.773 -9.549 6.427 164 2HG2 ILE 26 2HG2 ILE 26 -2.650 -8.257 5.940 165 3HG2 ILE 26 3HG2 ILE 26 -3.994 -8.719 4.868 166 1HD1 ILE 26 1HD1 ILE 26 -3.308 -13.111 5.500 167 2HD1 ILE 26 2HD1 ILE 26 -3.625 -11.623 6.423 168 3HD1 ILE 26 3HD1 ILE 26 -4.850 -12.247 5.292 169 H VAL 27 H VAL 27 -2.023 -6.940 3.723 170 HA VAL 27 HA VAL 27 0.600 -6.240 4.834 171 HB VAL 27 HB VAL 27 -1.355 -4.613 3.196 172 1HG1 VAL 27 1HG1 VAL 27 1.505 -3.900 3.896 173 2HG1 VAL 27 2HG1 VAL 27 0.258 -2.870 3.152 174 3HG1 VAL 27 3HG1 VAL 27 0.109 -3.359 4.858 175 1HG2 VAL 27 1HG2 VAL 27 0.356 -6.627 2.328 176 2HG2 VAL 27 2HG2 VAL 27 -0.353 -5.336 1.328 177 3HG2 VAL 27 3HG2 VAL 27 1.272 -5.132 2.026 178 H LYS 28 H LYS 28 0.569 -5.834 6.981 179 HA LYS 28 HA LYS 28 -1.918 -4.731 8.079 180 2HB LYS 28 2HB LYS 28 -0.584 -5.551 10.264 181 2HG LYS 28 2HG LYS 28 -2.502 -6.864 8.370 182 2HD LYS 28 2HD LYS 28 -1.948 -8.513 10.755 183 2HE LYS 28 2HE LYS 28 -2.016 -9.230 7.787 184 1HZ LYS 28 1HZ LYS 28 -1.293 -10.848 9.688 185 2HZ LYS 28 2HZ LYS 28 -2.886 -10.944 10.013 186 H CYS 29 H CYS 29 -1.919 -2.752 9.095 187 HA CYS 29 HA CYS 29 -0.012 -0.914 8.452 188 2HB CYS 29 2HB CYS 29 -1.615 -0.664 10.997 189 HG CYS 29 HG CYS 29 -2.105 1.824 10.156 190 H ILE 30 H ILE 30 2.085 -0.616 9.133 191 HA ILE 30 HA ILE 30 3.205 -2.303 11.082 192 HB ILE 30 HB ILE 30 5.217 -0.926 10.750 193 2HG1 ILE 30 2HG1 ILE 30 3.558 1.157 10.248 194 1HG2 ILE 30 1HG2 ILE 30 5.217 -2.624 9.229 195 2HG2 ILE 30 2HG2 ILE 30 3.671 -2.128 8.498 196 3HG2 ILE 30 3HG2 ILE 30 5.163 -1.236 8.114 197 1HD1 ILE 30 1HD1 ILE 30 5.602 2.089 10.528 198 2HD1 ILE 30 2HD1 ILE 30 6.404 0.573 10.054 199 3HD1 ILE 30 3HD1 ILE 30 5.930 1.756 8.811 200 H ILE 31 H ILE 31 1.216 0.450 11.361 201 HA ILE 31 HA ILE 31 2.449 1.507 13.723 202 HB ILE 31 HB ILE 31 -0.283 2.031 12.550 203 2HG1 ILE 31 2HG1 ILE 31 0.971 4.129 11.679 204 1HG2 ILE 31 1HG2 ILE 31 -0.277 4.055 13.826 205 2HG2 ILE 31 2HG2 ILE 31 0.070 2.705 14.931 206 3HG2 ILE 31 3HG2 ILE 31 1.389 3.767 14.382 207 1HD1 ILE 31 1HD1 ILE 31 3.136 3.689 12.793 208 2HD1 ILE 31 2HD1 ILE 31 3.249 2.115 11.968 209 3HD1 ILE 31 3HD1 ILE 31 3.323 3.622 11.023 210 H CYS 32 H CYS 32 -0.974 0.411 13.351 211 HA CYS 32 HA CYS 32 -0.777 -0.695 16.019 212 2HB CYS 32 2HB CYS 32 -3.104 -0.065 14.193 213 HG CYS 32 HG CYS 32 -4.880 -1.017 15.648 214 H GLY 33 H GLY 33 -1.824 -1.634 12.662 215 1HA GLY 33 1HA GLY 33 -0.729 -3.791 11.965 216 2HA GLY 33 2HA GLY 33 -1.429 -4.463 13.424 217 H ARG 34 H ARG 34 -3.034 -1.957 11.426 218 HA ARG 34 HA ARG 34 -5.213 -3.793 11.089 219 2HB ARG 34 2HB ARG 34 -5.103 -1.080 11.598 220 2HG ARG 34 2HG ARG 34 -5.899 -1.397 8.665 221 2HD ARG 34 2HD ARG 34 -6.420 0.900 8.687 222 HE ARG 34 HE ARG 34 -8.175 0.148 10.110 223 1HH1 ARG 34 1HH1 ARG 34 -5.258 0.889 11.981 224 2HH1 ARG 34 2HH1 ARG 34 -6.082 0.871 13.506 225 2HH2 ARG 34 2HH2 ARG 34 -8.435 0.419 13.563 226 H THR 35 H THR 35 -6.133 -4.332 8.984 227 HA THR 35 HA THR 35 -4.198 -4.739 6.970 228 HB THR 35 HB THR 35 -7.226 -4.855 6.633 229 HG1 THR 35 HG1 THR 35 -5.305 -6.590 8.019 230 1HG2 THR 35 1HG2 THR 35 -5.514 -7.164 5.926 231 2HG2 THR 35 2HG2 THR 35 -6.759 -6.347 4.950 232 3HG2 THR 35 3HG2 THR 35 -5.102 -5.698 5.006 233 H VAL 36 H VAL 36 -3.440 -3.466 5.405 234 HA VAL 36 HA VAL 36 -5.034 -1.071 4.801 235 HB VAL 36 HB VAL 36 -2.766 -0.150 4.097 236 1HG1 VAL 36 1HG1 VAL 36 -3.091 -0.753 7.052 237 2HG1 VAL 36 2HG1 VAL 36 -2.274 0.643 6.311 238 3HG1 VAL 36 3HG1 VAL 36 -4.039 0.469 6.172 239 1HG2 VAL 36 1HG2 VAL 36 -1.578 -2.169 5.983 240 2HG2 VAL 36 2HG2 VAL 36 -1.761 -2.563 4.257 241 3HG2 VAL 36 3HG2 VAL 36 -0.783 -1.161 4.751 242 H ALA 37 H ALA 37 -3.879 -4.101 3.692 243 HA ALA 37 HA ALA 37 -4.926 -3.603 1.092 244 1HB ALA 37 1HB ALA 37 -2.019 -3.374 1.585 245 2HB ALA 37 2HB ALA 37 -2.454 -4.498 0.275 246 3HB ALA 37 3HB ALA 37 -2.994 -2.804 0.209 247 H GLU 38 H GLU 38 -5.602 -5.537 0.172 248 HA GLU 38 HA GLU 38 -4.708 -7.923 1.591 249 2HB GLU 38 2HB GLU 38 -7.325 -8.343 0.467 250 2HG GLU 38 2HG GLU 38 -7.089 -7.885 3.393 251 HE2 GLU 38 HE2 GLU 38 -9.604 -9.975 3.367 252 HA PRO 39 HA PRO 39 -3.719 -9.306 -2.413 253 2HB PRO 39 2HB PRO 39 -2.033 -10.650 -1.604 254 2HG PRO 39 2HG PRO 39 -2.207 -11.171 0.636 255 2HD PRO 39 2HD PRO 39 -3.476 -9.399 1.369 256 H THR 40 H THR 40 -5.918 -8.750 -3.119 257 HA THR 40 HA THR 40 -7.949 -10.658 -2.984 258 HB THR 40 HB THR 40 -8.910 -9.245 -4.842 259 HG1 THR 40 HG1 THR 40 -7.450 -7.746 -5.799 260 1HG2 THR 40 1HG2 THR 40 -8.936 -7.117 -3.682 261 2HG2 THR 40 2HG2 THR 40 -8.844 -8.362 -2.413 262 3HG2 THR 40 3HG2 THR 40 -7.382 -7.462 -2.886 263 H GLY 41 H GLY 41 -8.940 -11.807 -4.906 264 1HA GLY 41 1HA GLY 41 -7.486 -13.903 -5.730 265 2HA GLY 41 2HA GLY 41 -8.783 -13.207 -6.683 266 H GLY 42 H GLY 42 -8.284 -11.608 -8.359 267 1HA GLY 42 1HA GLY 42 -6.308 -12.195 -10.079 268 2HA GLY 42 2HA GLY 42 -6.981 -10.586 -9.904 269 H LYS 43 H LYS 43 -5.909 -9.001 -8.528 270 HA LYS 43 HA LYS 43 -3.236 -9.796 -7.649 271 2HB LYS 43 2HB LYS 43 -3.084 -8.809 -9.934 272 2HG LYS 43 2HG LYS 43 -3.288 -6.130 -9.671 273 2HD LYS 43 2HD LYS 43 -5.234 -8.236 -10.554 274 2HE LYS 43 2HE LYS 43 -6.015 -5.302 -10.687 275 1HZ LYS 43 1HZ LYS 43 -7.077 -6.965 -12.169 276 2HZ LYS 43 2HZ LYS 43 -7.602 -7.807 -10.878 277 H GLY 44 H GLY 44 -2.517 -8.746 -5.776 278 1HA GLY 44 1HA GLY 44 -4.246 -8.028 -3.848 279 2HA GLY 44 2HA GLY 44 -2.617 -7.393 -3.963 280 H ASN 45 H ASN 45 -5.256 -6.148 -3.054 281 HA ASN 45 HA ASN 45 -5.140 -3.884 -4.887 282 2HB ASN 45 2HB ASN 45 -7.610 -4.265 -3.226 283 1HD2 ASN 45 1HD2 ASN 45 -8.354 -2.313 -3.713 284 2HD2 ASN 45 2HD2 ASN 45 -8.622 -1.689 -5.306 285 H ILE 46 H ILE 46 -5.113 -1.786 -3.839 286 HA ILE 46 HA ILE 46 -4.296 -1.889 -1.074 287 HB ILE 46 HB ILE 46 -4.398 0.304 -3.140 288 2HG1 ILE 46 2HG1 ILE 46 -2.399 -1.676 -2.286 289 1HG2 ILE 46 1HG2 ILE 46 -4.335 0.544 -0.277 290 2HG2 ILE 46 2HG2 ILE 46 -2.785 1.089 -0.962 291 3HG2 ILE 46 3HG2 ILE 46 -4.311 1.816 -1.522 292 1HD1 ILE 46 1HD1 ILE 46 -1.769 0.018 -4.578 293 2HD1 ILE 46 2HD1 ILE 46 -2.102 -1.730 -4.531 294 3HD1 ILE 46 3HD1 ILE 46 -3.446 -0.572 -4.671 295 H LYS 47 H LYS 47 -5.720 -1.784 0.569 296 HA LYS 47 HA LYS 47 -8.365 -0.719 -0.004 297 2HB LYS 47 2HB LYS 47 -9.111 -1.915 1.865 298 2HG LYS 47 2HG LYS 47 -6.900 -3.832 1.370 299 2HD LYS 47 2HD LYS 47 -9.690 -3.876 1.895 300 2HE LYS 47 2HE LYS 47 -8.986 -4.890 -0.896 301 1HZ LYS 47 1HZ LYS 47 -10.277 -6.617 -0.080 302 2HZ LYS 47 2HZ LYS 47 -11.113 -5.694 0.969 303 H ALA 48 H ALA 48 -6.155 1.145 -0.013 304 HA ALA 48 HA ALA 48 -7.113 2.867 2.122 305 1HB ALA 48 1HB ALA 48 -4.688 3.481 2.627 306 2HB ALA 48 2HB ALA 48 -5.221 1.884 3.209 307 3HB ALA 48 3HB ALA 48 -4.224 2.008 1.739 308 H GLU 49 H GLU 49 -6.291 5.176 1.740 309 HA GLU 49 HA GLU 49 -6.722 5.743 -0.992 310 2HB GLU 49 2HB GLU 49 -6.130 7.435 1.459 311 2HG GLU 49 2HG GLU 49 -6.417 8.290 -1.450 312 HE2 GLU 49 HE2 GLU 49 -8.297 10.558 -1.043 313 H ILE 50 H ILE 50 -5.222 5.917 -2.603 314 HA ILE 50 HA ILE 50 -2.443 5.703 -1.882 315 HB ILE 50 HB ILE 50 -3.831 5.825 -4.562 316 2HG1 ILE 50 2HG1 ILE 50 -4.582 3.839 -3.656 317 1HG2 ILE 50 1HG2 ILE 50 -1.059 4.761 -4.143 318 2HG2 ILE 50 2HG2 ILE 50 -1.829 5.396 -5.616 319 3HG2 ILE 50 3HG2 ILE 50 -1.317 6.512 -4.327 320 1HD1 ILE 50 1HD1 ILE 50 -1.936 2.671 -4.456 321 2HD1 ILE 50 2HD1 ILE 50 -3.582 2.194 -4.941 322 3HD1 ILE 50 3HD1 ILE 50 -2.811 3.617 -5.684 323 H ILE 51 H ILE 51 -0.849 7.271 -2.126 324 HA ILE 51 HA ILE 51 -1.903 9.971 -2.436 325 HB ILE 51 HB ILE 51 0.393 8.714 -1.041 326 2HG1 ILE 51 2HG1 ILE 51 -1.715 10.781 -0.450 327 1HG2 ILE 51 1HG2 ILE 51 1.589 10.204 -2.515 328 2HG2 ILE 51 2HG2 ILE 51 0.484 11.543 -2.122 329 3HG2 ILE 51 3HG2 ILE 51 1.568 10.888 -0.872 330 1HD1 ILE 51 1HD1 ILE 51 -1.547 8.048 -0.018 331 2HD1 ILE 51 2HD1 ILE 51 -0.933 8.709 1.516 332 3HD1 ILE 51 3HD1 ILE 51 -2.551 9.170 0.932 333 H GLU 52 H GLU 52 1.006 8.057 -3.490 334 HA GLU 52 HA GLU 52 0.656 8.527 -6.153 335 2HB GLU 52 2HB GLU 52 2.898 10.295 -5.807 336 2HG GLU 52 2HG GLU 52 0.260 11.430 -6.596 337 HE2 GLU 52 HE2 GLU 52 1.271 11.257 -9.373 338 H TYR 53 H TYR 53 3.326 8.751 -7.088 339 HA TYR 53 HA TYR 53 4.320 6.191 -6.285 340 2HB TYR 53 2HB TYR 53 6.174 7.143 -7.973 341 HD1 TYR 53 HD1 TYR 53 5.789 5.033 -9.038 342 HD2 TYR 53 HD2 TYR 53 2.776 8.068 -9.141 343 HE1 TYR 53 HE1 TYR 53 4.510 3.714 -10.795 344 HE2 TYR 53 HE2 TYR 53 1.506 6.738 -10.897 345 HH TYR 53 HH TYR 53 2.265 4.974 -12.713 346 H VAL 54 H VAL 54 6.066 5.697 -4.996 347 HA VAL 54 HA VAL 54 7.075 7.844 -3.369 348 HB VAL 54 HB VAL 54 8.251 5.152 -3.149 349 1HG1 VAL 54 1HG1 VAL 54 7.021 5.815 -0.762 350 2HG1 VAL 54 2HG1 VAL 54 8.708 6.170 -1.202 351 3HG1 VAL 54 3HG1 VAL 54 7.446 7.401 -1.449 352 1HG2 VAL 54 1HG2 VAL 54 6.013 4.435 -1.962 353 2HG2 VAL 54 2HG2 VAL 54 5.280 5.581 -3.111 354 3HG2 VAL 54 3HG2 VAL 54 6.226 4.197 -3.713 355 H ASP 55 H ASP 55 9.603 7.679 -2.883 356 HA ASP 55 HA ASP 55 10.824 7.889 -5.509 357 2HB ASP 55 2HB ASP 55 12.354 8.795 -3.125 358 HD2 ASP 55 HD2 ASP 55 13.579 9.827 -6.202 359 H GLN 56 H GLN 56 10.556 5.882 -2.736 360 HA GLN 56 HA GLN 56 13.241 5.000 -2.627 361 2HB GLN 56 2HB GLN 56 11.442 3.045 -1.519 362 2HG GLN 56 2HG GLN 56 13.066 5.291 -0.232 363 1HE2 GLN 56 1HE2 GLN 56 13.655 4.876 1.941 364 2HE2 GLN 56 2HE2 GLN 56 12.641 3.952 2.998 365 H ILE 57 H ILE 57 13.883 4.312 -4.717 366 HA ILE 57 HA ILE 57 12.249 2.331 -6.048 367 HB ILE 57 HB ILE 57 14.937 3.327 -6.941 368 2HG1 ILE 57 2HG1 ILE 57 13.725 5.333 -6.363 369 1HG2 ILE 57 1HG2 ILE 57 14.447 1.899 -8.584 370 2HG2 ILE 57 2HG2 ILE 57 12.746 1.760 -8.082 371 3HG2 ILE 57 3HG2 ILE 57 13.260 3.114 -9.116 372 1HD1 ILE 57 1HD1 ILE 57 13.026 5.478 -9.197 373 2HD1 ILE 57 2HD1 ILE 57 14.324 6.318 -8.313 374 3HD1 ILE 57 3HD1 ILE 57 14.605 4.687 -8.968 375 H GLU 58 H GLU 58 13.450 0.334 -6.959 376 HA GLU 58 HA GLU 58 14.505 -1.010 -4.699 377 2HB GLU 58 2HB GLU 58 14.434 -2.076 -7.545 378 2HG GLU 58 2HG GLU 58 14.157 -3.316 -4.768 379 HE2 GLU 58 HE2 GLU 58 14.654 -5.976 -7.177 Start of MODEL 10 1 1H MET 1 1H MET 1 5.646 -2.887 -15.689 2 HA MET 1 HA MET 1 4.843 -5.610 -16.227 3 2HB MET 1 2HB MET 1 7.481 -5.582 -16.842 4 2HG MET 1 2HG MET 1 5.297 -5.587 -18.372 5 1HE MET 1 1HE MET 1 4.750 -4.763 -20.531 6 2HE MET 1 2HE MET 1 3.744 -3.300 -20.420 7 3HE MET 1 3HE MET 1 5.325 -3.232 -21.231 8 H HIS 2 H HIS 2 7.456 -3.865 -14.384 9 HA HIS 2 HA HIS 2 7.671 -6.248 -12.709 10 2HB HIS 2 2HB HIS 2 9.700 -4.270 -12.191 11 HD1 HIS 2 HD1 HIS 2 11.918 -5.750 -13.901 12 HD2 HIS 2 HD2 HIS 2 8.968 -7.624 -11.580 13 HE1 HIS 2 HE1 HIS 2 12.817 -8.072 -13.339 14 H SER 3 H SER 3 7.352 -6.146 -10.469 15 HA SER 3 HA SER 3 5.488 -4.490 -9.512 16 2HB SER 3 2HB SER 3 7.813 -5.659 -7.921 17 HG SER 3 HG SER 3 6.346 -5.635 -6.166 18 H ARG 4 H ARG 4 5.371 -2.310 -9.112 19 HA ARG 4 HA ARG 4 7.914 -0.933 -8.862 20 2HB ARG 4 2HB ARG 4 5.612 0.844 -9.142 21 2HG ARG 4 2HG ARG 4 7.537 0.285 -11.388 22 2HD ARG 4 2HD ARG 4 7.678 2.952 -10.822 23 HE ARG 4 HE ARG 4 6.045 1.367 -12.651 24 1HH1 ARG 4 1HH1 ARG 4 6.736 4.667 -11.562 25 2HH1 ARG 4 2HH1 ARG 4 6.188 5.400 -13.033 26 2HH2 ARG 4 2HH2 ARG 4 5.361 4.009 -14.801 27 H PHE 5 H PHE 5 7.656 1.223 -7.447 28 HA PHE 5 HA PHE 5 6.562 0.329 -4.907 29 2HB PHE 5 2HB PHE 5 8.823 1.154 -4.781 30 HD1 PHE 5 HD1 PHE 5 10.373 1.452 -6.477 31 HD2 PHE 5 HD2 PHE 5 7.185 4.229 -6.110 32 HE1 PHE 5 HE1 PHE 5 11.406 2.876 -8.268 33 HE2 PHE 5 HE2 PHE 5 8.218 5.653 -7.901 34 HZ PHE 5 HZ PHE 5 10.316 4.959 -8.959 35 H VAL 6 H VAL 6 5.022 1.502 -3.698 36 HA VAL 6 HA VAL 6 3.957 3.923 -4.898 37 HB VAL 6 HB VAL 6 1.851 3.163 -5.298 38 1HG1 VAL 6 1HG1 VAL 6 3.555 1.945 -6.732 39 2HG1 VAL 6 2HG1 VAL 6 3.306 0.531 -5.679 40 3HG1 VAL 6 3HG1 VAL 6 1.948 1.187 -6.626 41 1HG2 VAL 6 1HG2 VAL 6 1.354 2.328 -3.079 42 2HG2 VAL 6 2HG2 VAL 6 0.852 1.119 -4.285 43 3HG2 VAL 6 3HG2 VAL 6 2.353 0.881 -3.358 44 H LYS 7 H LYS 7 3.433 5.403 -3.340 45 HA LYS 7 HA LYS 7 3.669 4.465 -0.588 46 2HB LYS 7 2HB LYS 7 4.167 7.037 -2.013 47 2HG LYS 7 2HG LYS 7 3.396 6.810 0.936 48 2HD LYS 7 2HD LYS 7 3.786 9.375 0.771 49 2HE LYS 7 2HE LYS 7 6.264 7.609 0.514 50 1HZ LYS 7 1HZ LYS 7 6.497 10.099 0.705 51 2HZ LYS 7 2HZ LYS 7 5.812 10.020 2.181 52 H VAL 8 H VAL 8 1.887 4.110 0.615 53 HA VAL 8 HA VAL 8 -0.555 5.523 -0.211 54 HB VAL 8 HB VAL 8 -1.729 3.488 0.729 55 1HG1 VAL 8 1HG1 VAL 8 -0.079 2.706 -1.662 56 2HG1 VAL 8 2HG1 VAL 8 -1.818 2.477 -1.357 57 3HG1 VAL 8 3HG1 VAL 8 -1.191 4.093 -1.763 58 1HG2 VAL 8 1HG2 VAL 8 0.850 2.008 0.235 59 2HG2 VAL 8 2HG2 VAL 8 0.482 2.687 1.839 60 3HG2 VAL 8 3HG2 VAL 8 -0.606 1.480 1.113 61 H LYS 9 H LYS 9 -2.185 5.638 1.692 62 HA LYS 9 HA LYS 9 -0.754 5.887 4.230 63 2HB LYS 9 2HB LYS 9 -2.203 8.057 2.738 64 2HG LYS 9 2HG LYS 9 -2.231 7.507 5.688 65 2HD LYS 9 2HD LYS 9 -1.119 9.975 4.509 66 2HE LYS 9 2HE LYS 9 -2.867 10.689 6.771 67 1HZ LYS 9 1HZ LYS 9 -3.049 12.641 5.523 68 2HZ LYS 9 2HZ LYS 9 -1.569 12.127 5.080 69 H CYS 10 H CYS 10 -1.943 5.248 6.013 70 HA CYS 10 HA CYS 10 -4.245 3.712 5.463 71 2HB CYS 10 2HB CYS 10 -3.518 4.513 8.261 72 HG CYS 10 HG CYS 10 -5.627 3.012 7.885 73 HA PRO 11 HA PRO 11 -7.081 7.019 5.916 74 2HB PRO 11 2HB PRO 11 -8.491 6.125 4.331 75 2HG PRO 11 2HG PRO 11 -8.150 3.887 3.891 76 2HD PRO 11 2HD PRO 11 -5.954 3.675 4.532 77 H ASP 12 H ASP 12 -7.314 4.160 7.899 78 HA ASP 12 HA ASP 12 -8.878 5.597 9.813 79 2HB ASP 12 2HB ASP 12 -7.744 3.145 10.863 80 HD2 ASP 12 HD2 ASP 12 -10.625 4.870 11.308 81 H CYS 13 H CYS 13 -5.548 4.234 9.399 82 HA CYS 13 HA CYS 13 -4.690 5.051 11.978 83 2HB CYS 13 2HB CYS 13 -2.569 4.606 10.004 84 HG CYS 13 HG CYS 13 -3.557 2.614 12.420 85 H GLU 14 H GLU 14 -4.890 6.427 8.710 86 HA GLU 14 HA GLU 14 -4.542 8.427 7.938 87 2HB GLU 14 2HB GLU 14 -4.056 10.314 9.744 88 2HG GLU 14 2HG GLU 14 -6.700 9.192 10.378 89 HE2 GLU 14 HE2 GLU 14 -7.258 10.927 7.845 90 H HIS 15 H HIS 15 -2.266 6.460 9.078 91 HA HIS 15 HA HIS 15 -0.071 8.366 8.925 92 2HB HIS 15 2HB HIS 15 0.016 5.421 9.625 93 HD1 HIS 15 HD1 HIS 15 2.412 5.214 8.566 94 HD2 HIS 15 HD2 HIS 15 2.042 8.196 11.495 95 HE1 HIS 15 HE1 HIS 15 4.788 5.905 9.186 96 H GLU 16 H GLU 16 1.728 8.002 7.446 97 HA GLU 16 HA GLU 16 0.747 6.924 4.971 98 2HB GLU 16 2HB GLU 16 2.898 7.918 4.058 99 2HG GLU 16 2HG GLU 16 0.841 9.516 5.593 100 HE2 GLU 16 HE2 GLU 16 2.718 12.424 4.058 101 H GLN 17 H GLN 17 1.598 5.123 3.873 102 HA GLN 17 HA GLN 17 3.883 3.830 5.064 103 2HB GLN 17 2HB GLN 17 2.135 1.677 4.579 104 2HG GLN 17 2HG GLN 17 2.034 2.330 7.360 105 1HE2 GLN 17 1HE2 GLN 17 1.367 0.126 6.530 106 2HE2 GLN 17 2HE2 GLN 17 2.561 -1.129 6.549 107 H VAL 18 H VAL 18 4.996 2.410 3.583 108 HA VAL 18 HA VAL 18 4.070 2.750 0.817 109 HB VAL 18 HB VAL 18 6.859 2.254 1.875 110 1HG1 VAL 18 1HG1 VAL 18 6.616 1.399 -0.370 111 2HG1 VAL 18 2HG1 VAL 18 5.821 2.900 -0.904 112 3HG1 VAL 18 3HG1 VAL 18 7.539 2.919 -0.436 113 1HG2 VAL 18 1HG2 VAL 18 6.823 4.769 0.706 114 2HG2 VAL 18 2HG2 VAL 18 5.290 4.711 1.609 115 3HG2 VAL 18 3HG2 VAL 18 6.831 4.420 2.452 116 H ILE 19 H ILE 19 3.267 0.967 -0.153 117 HA ILE 19 HA ILE 19 4.348 -1.615 0.716 118 HB ILE 19 HB ILE 19 2.095 -2.570 0.588 119 2HG1 ILE 19 2HG1 ILE 19 1.403 -0.280 -0.777 120 1HG2 ILE 19 1HG2 ILE 19 1.224 -1.531 2.699 121 2HG2 ILE 19 2HG2 ILE 19 2.927 -2.045 2.759 122 3HG2 ILE 19 3HG2 ILE 19 2.523 -0.322 2.567 123 1HD1 ILE 19 1HD1 ILE 19 -0.515 -1.466 -1.162 124 2HD1 ILE 19 2HD1 ILE 19 0.309 -2.753 -0.251 125 3HD1 ILE 19 3HD1 ILE 19 -0.844 -1.677 0.574 126 H PHE 20 H PHE 20 3.769 -3.376 -0.962 127 HA PHE 20 HA PHE 20 4.606 -2.362 -3.494 128 2HB PHE 20 2HB PHE 20 4.571 -4.814 -4.031 129 HD1 PHE 20 HD1 PHE 20 4.680 -6.018 -0.798 130 HD2 PHE 20 HD2 PHE 20 6.848 -3.476 -3.414 131 HE1 PHE 20 HE1 PHE 20 6.758 -6.396 0.558 132 HE2 PHE 20 HE2 PHE 20 8.927 -3.855 -2.059 133 HZ PHE 20 HZ PHE 20 8.857 -5.309 -0.089 134 H ASP 21 H ASP 21 3.481 -2.632 -5.537 135 HA ASP 21 HA ASP 21 0.676 -2.194 -5.196 136 2HB ASP 21 2HB ASP 21 1.965 -0.799 -6.772 137 HD2 ASP 21 HD2 ASP 21 2.976 -2.811 -9.864 138 H HIS 22 H HIS 22 2.491 -4.913 -5.161 139 HA HIS 22 HA HIS 22 0.372 -6.534 -6.164 140 2HB HIS 22 2HB HIS 22 3.035 -6.989 -7.492 141 HD1 HIS 22 HD1 HIS 22 0.669 -6.935 -10.052 142 HD2 HIS 22 HD2 HIS 22 1.339 -9.595 -6.879 143 HE1 HIS 22 HE1 HIS 22 -0.419 -9.143 -10.728 144 HA PRO 23 HA PRO 23 2.955 -8.104 -2.744 145 2HB PRO 23 2HB PRO 23 2.306 -6.727 -1.018 146 2HG PRO 23 2HG PRO 23 0.525 -5.346 -1.504 147 2HD PRO 23 2HD PRO 23 0.703 -5.242 -3.795 148 H SER 24 H SER 24 2.651 -10.072 -1.310 149 HA SER 24 HA SER 24 0.812 -11.789 -2.786 150 2HB SER 24 2HB SER 24 2.928 -13.148 -1.239 151 HG SER 24 HG SER 24 3.264 -13.804 -3.696 152 H THR 25 H THR 25 2.022 -10.672 0.371 153 HA THR 25 HA THR 25 0.064 -12.412 1.709 154 HB THR 25 HB THR 25 1.624 -11.423 3.710 155 HG1 THR 25 HG1 THR 25 3.148 -10.263 2.559 156 1HG2 THR 25 1HG2 THR 25 2.609 -13.517 3.769 157 2HG2 THR 25 2HG2 THR 25 1.425 -13.889 2.494 158 3HG2 THR 25 3HG2 THR 25 3.091 -13.438 2.057 159 H ILE 26 H ILE 26 -1.072 -11.441 3.616 160 HA ILE 26 HA ILE 26 -2.442 -9.148 2.754 161 HB ILE 26 HB ILE 26 -2.371 -10.484 5.463 162 2HG1 ILE 26 2HG1 ILE 26 -2.958 -11.948 3.485 163 1HG2 ILE 26 1HG2 ILE 26 -3.785 -8.136 4.455 164 2HG2 ILE 26 2HG2 ILE 26 -4.882 -9.388 5.087 165 3HG2 ILE 26 3HG2 ILE 26 -3.586 -8.735 6.119 166 1HD1 ILE 26 1HD1 ILE 26 -4.174 -13.098 5.006 167 2HD1 ILE 26 2HD1 ILE 26 -4.224 -11.638 6.023 168 3HD1 ILE 26 3HD1 ILE 26 -5.520 -11.944 4.841 169 H VAL 27 H VAL 27 -2.307 -6.981 3.340 170 HA VAL 27 HA VAL 27 0.205 -6.278 4.656 171 HB VAL 27 HB VAL 27 -1.695 -4.519 3.103 172 1HG1 VAL 27 1HG1 VAL 27 1.218 -3.964 3.215 173 2HG1 VAL 27 2HG1 VAL 27 -0.170 -2.853 3.296 174 3HG1 VAL 27 3HG1 VAL 27 0.327 -3.763 4.743 175 1HG2 VAL 27 1HG2 VAL 27 -0.911 -6.425 1.715 176 2HG2 VAL 27 2HG2 VAL 27 -0.297 -4.854 1.147 177 3HG2 VAL 27 3HG2 VAL 27 0.770 -5.950 2.056 178 H LYS 28 H LYS 28 0.098 -5.911 6.808 179 HA LYS 28 HA LYS 28 -2.427 -4.818 7.832 180 2HB LYS 28 2HB LYS 28 -1.244 -5.754 10.048 181 2HG LYS 28 2HG LYS 28 -2.519 -7.799 8.227 182 2HD LYS 28 2HD LYS 28 -3.625 -7.064 10.900 183 2HE LYS 28 2HE LYS 28 -2.737 -9.744 9.738 184 1HZ LYS 28 1HZ LYS 28 -4.311 -10.575 11.369 185 2HZ LYS 28 2HZ LYS 28 -3.221 -9.648 12.148 186 H CYS 29 H CYS 29 -2.413 -2.930 9.048 187 HA CYS 29 HA CYS 29 -0.423 -1.106 8.531 188 2HB CYS 29 2HB CYS 29 -2.136 -0.876 10.997 189 HG CYS 29 HG CYS 29 -0.468 0.856 8.860 190 H ILE 30 H ILE 30 1.639 -0.906 9.344 191 HA ILE 30 HA ILE 30 2.567 -2.699 11.312 192 HB ILE 30 HB ILE 30 4.661 -1.406 11.117 193 2HG1 ILE 30 2HG1 ILE 30 3.137 0.747 10.523 194 1HG2 ILE 30 1HG2 ILE 30 3.587 -1.916 8.351 195 2HG2 ILE 30 2HG2 ILE 30 5.211 -2.228 9.010 196 3HG2 ILE 30 3HG2 ILE 30 3.838 -3.246 9.507 197 1HD1 ILE 30 1HD1 ILE 30 5.554 0.721 11.178 198 2HD1 ILE 30 2HD1 ILE 30 5.977 0.264 9.510 199 3HD1 ILE 30 3HD1 ILE 30 5.231 1.847 9.837 200 H ILE 31 H ILE 31 0.693 0.131 11.532 201 HA ILE 31 HA ILE 31 1.852 1.132 13.948 202 HB ILE 31 HB ILE 31 -0.833 1.720 12.699 203 2HG1 ILE 31 2HG1 ILE 31 0.491 3.784 11.853 204 1HG2 ILE 31 1HG2 ILE 31 -0.051 4.002 13.930 205 2HG2 ILE 31 2HG2 ILE 31 -1.090 2.765 14.677 206 3HG2 ILE 31 3HG2 ILE 31 0.656 2.786 15.021 207 1HD1 ILE 31 1HD1 ILE 31 2.616 3.301 13.023 208 2HD1 ILE 31 2HD1 ILE 31 2.717 1.724 12.205 209 3HD1 ILE 31 3HD1 ILE 31 2.846 3.227 11.259 210 H CYS 32 H CYS 32 -1.572 0.091 13.440 211 HA CYS 32 HA CYS 32 -1.456 -1.084 16.095 212 2HB CYS 32 2HB CYS 32 -3.785 -0.339 14.302 213 HG CYS 32 HG CYS 32 -5.061 -2.120 15.256 214 H GLY 33 H GLY 33 -2.476 -1.807 12.683 215 1HA GLY 33 1HA GLY 33 -1.519 -4.008 11.927 216 2HA GLY 33 2HA GLY 33 -2.315 -4.687 13.332 217 H ARG 34 H ARG 34 -3.669 -1.988 11.399 218 HA ARG 34 HA ARG 34 -5.962 -3.640 10.917 219 2HB ARG 34 2HB ARG 34 -5.674 -0.968 11.540 220 2HG ARG 34 2HG ARG 34 -6.413 -1.072 8.580 221 2HD ARG 34 2HD ARG 34 -6.646 1.266 8.708 222 HE ARG 34 HE ARG 34 -8.488 0.664 10.097 223 1HH1 ARG 34 1HH1 ARG 34 -5.517 1.008 11.996 224 2HH1 ARG 34 2HH1 ARG 34 -6.345 1.041 13.517 225 2HH2 ARG 34 2HH2 ARG 34 -8.734 0.862 13.555 226 H THR 35 H THR 35 -6.834 -4.060 8.773 227 HA THR 35 HA THR 35 -4.881 -4.551 6.810 228 HB THR 35 HB THR 35 -7.888 -4.364 6.350 229 HG1 THR 35 HG1 THR 35 -7.891 -6.460 7.460 230 1HG2 THR 35 1HG2 THR 35 -7.540 -6.258 4.917 231 2HG2 THR 35 2HG2 THR 35 -6.177 -5.177 4.543 232 3HG2 THR 35 3HG2 THR 35 -5.932 -6.583 5.608 233 H VAL 36 H VAL 36 -3.958 -3.311 5.303 234 HA VAL 36 HA VAL 36 -5.270 -0.737 4.770 235 HB VAL 36 HB VAL 36 -2.890 -0.078 4.102 236 1HG1 VAL 36 1HG1 VAL 36 -2.532 -0.372 6.924 237 2HG1 VAL 36 2HG1 VAL 36 -3.046 1.065 6.008 238 3HG1 VAL 36 3HG1 VAL 36 -4.260 -0.092 6.604 239 1HG2 VAL 36 1HG2 VAL 36 -1.060 -1.331 4.782 240 2HG2 VAL 36 2HG2 VAL 36 -2.000 -2.254 5.979 241 3HG2 VAL 36 3HG2 VAL 36 -2.188 -2.597 4.242 242 H ALA 37 H ALA 37 -3.891 -3.735 3.484 243 HA ALA 37 HA ALA 37 -5.168 -3.238 0.974 244 1HB ALA 37 1HB ALA 37 -3.067 -1.953 0.689 245 2HB ALA 37 2HB ALA 37 -2.130 -3.414 1.082 246 3HB ALA 37 3HB ALA 37 -3.128 -3.368 -0.391 247 H GLU 38 H GLU 38 -5.661 -5.186 -0.040 248 HA GLU 38 HA GLU 38 -4.442 -7.531 1.196 249 2HB GLU 38 2HB GLU 38 -7.062 -8.200 0.233 250 2HG GLU 38 2HG GLU 38 -6.143 -7.781 3.112 251 HE2 GLU 38 HE2 GLU 38 -7.394 -9.204 4.482 252 HA PRO 39 HA PRO 39 -3.602 -8.591 -2.938 253 2HB PRO 39 2HB PRO 39 -1.738 -9.793 -2.321 254 2HG PRO 39 2HG PRO 39 -1.702 -10.447 -0.110 255 2HD PRO 39 2HD PRO 39 -3.089 -8.860 0.807 256 H THR 40 H THR 40 -6.041 -10.012 -1.101 257 HA THR 40 HA THR 40 -7.737 -11.399 -1.648 258 HB THR 40 HB THR 40 -8.500 -9.160 -2.349 259 HG1 THR 40 HG1 THR 40 -10.059 -10.044 -3.818 260 1HG2 THR 40 1HG2 THR 40 -6.734 -8.576 -4.001 261 2HG2 THR 40 2HG2 THR 40 -7.255 -9.922 -5.044 262 3HG2 THR 40 3HG2 THR 40 -8.335 -8.531 -4.780 263 H GLY 41 H GLY 41 -5.512 -12.822 -2.192 264 1HA GLY 41 1HA GLY 41 -4.600 -14.403 -3.528 265 2HA GLY 41 2HA GLY 41 -6.275 -14.828 -3.821 266 H GLY 42 H GLY 42 -3.445 -13.040 -5.050 267 1HA GLY 42 1HA GLY 42 -3.093 -13.258 -7.451 268 2HA GLY 42 2HA GLY 42 -4.788 -12.879 -7.682 269 H LYS 43 H LYS 43 -4.963 -10.868 -8.574 270 HA LYS 43 HA LYS 43 -3.043 -8.912 -8.487 271 2HB LYS 43 2HB LYS 43 -4.798 -8.882 -10.122 272 2HG LYS 43 2HG LYS 43 -6.946 -7.848 -8.401 273 2HD LYS 43 2HD LYS 43 -7.481 -10.353 -9.809 274 2HE LYS 43 2HE LYS 43 -8.419 -7.831 -11.029 275 1HZ LYS 43 1HZ LYS 43 -9.514 -10.348 -10.037 276 2HZ LYS 43 2HZ LYS 43 -10.540 -9.082 -10.054 277 H GLY 44 H GLY 44 -2.598 -7.115 -7.189 278 1HA GLY 44 1HA GLY 44 -3.676 -7.316 -4.469 279 2HA GLY 44 2HA GLY 44 -2.220 -6.481 -4.975 280 H ASN 45 H ASN 45 -5.018 -5.783 -3.593 281 HA ASN 45 HA ASN 45 -5.386 -3.376 -5.197 282 2HB ASN 45 2HB ASN 45 -7.674 -4.008 -3.471 283 1HD2 ASN 45 1HD2 ASN 45 -9.481 -3.279 -4.410 284 2HD2 ASN 45 2HD2 ASN 45 -9.597 -2.644 -6.016 285 H ILE 46 H ILE 46 -5.058 -1.462 -4.020 286 HA ILE 46 HA ILE 46 -4.422 -1.747 -1.216 287 HB ILE 46 HB ILE 46 -4.230 0.574 -3.137 288 2HG1 ILE 46 2HG1 ILE 46 -2.465 -1.679 -2.453 289 1HG2 ILE 46 1HG2 ILE 46 -4.379 0.711 -0.359 290 2HG2 ILE 46 2HG2 ILE 46 -2.637 0.781 -0.716 291 3HG2 ILE 46 3HG2 ILE 46 -3.747 1.956 -1.463 292 1HD1 ILE 46 1HD1 ILE 46 -1.567 -1.200 -4.632 293 2HD1 ILE 46 2HD1 ILE 46 -3.325 -0.948 -4.759 294 3HD1 ILE 46 3HD1 ILE 46 -2.233 0.451 -4.619 295 H LYS 47 H LYS 47 -5.898 -1.507 0.366 296 HA LYS 47 HA LYS 47 -8.406 -0.200 -0.341 297 2HB LYS 47 2HB LYS 47 -9.404 -1.423 1.370 298 2HG LYS 47 2HG LYS 47 -7.289 -3.480 1.004 299 2HD LYS 47 2HD LYS 47 -10.202 -3.335 0.092 300 2HE LYS 47 2HE LYS 47 -8.074 -5.336 -0.170 301 1HZ LYS 47 1HZ LYS 47 -10.587 -6.415 0.930 302 2HZ LYS 47 2HZ LYS 47 -9.140 -7.150 0.804 303 H ALA 48 H ALA 48 -6.141 1.504 -0.169 304 HA ALA 48 HA ALA 48 -7.015 3.139 2.070 305 1HB ALA 48 1HB ALA 48 -4.081 2.488 1.595 306 2HB ALA 48 2HB ALA 48 -4.769 3.480 2.902 307 3HB ALA 48 3HB ALA 48 -5.079 1.728 2.858 308 H GLU 49 H GLU 49 -6.079 5.417 1.840 309 HA GLU 49 HA GLU 49 -6.448 6.183 -0.851 310 2HB GLU 49 2HB GLU 49 -5.653 7.764 1.632 311 2HG GLU 49 2HG GLU 49 -6.331 8.634 -1.206 312 HE2 GLU 49 HE2 GLU 49 -8.119 11.271 -0.195 313 H ILE 50 H ILE 50 -4.891 6.011 -2.401 314 HA ILE 50 HA ILE 50 -2.129 5.874 -1.607 315 HB ILE 50 HB ILE 50 -3.368 5.805 -4.359 316 2HG1 ILE 50 2HG1 ILE 50 -4.398 3.999 -3.358 317 1HG2 ILE 50 1HG2 ILE 50 -1.344 5.210 -5.203 318 2HG2 ILE 50 2HG2 ILE 50 -0.782 6.211 -3.842 319 3HG2 ILE 50 3HG2 ILE 50 -0.809 4.438 -3.691 320 1HD1 ILE 50 1HD1 ILE 50 -3.381 2.055 -4.236 321 2HD1 ILE 50 2HD1 ILE 50 -2.689 3.353 -5.238 322 3HD1 ILE 50 3HD1 ILE 50 -1.737 2.652 -3.906 323 H ILE 51 H ILE 51 -0.565 7.443 -1.856 324 HA ILE 51 HA ILE 51 -1.588 10.092 -2.439 325 HB ILE 51 HB ILE 51 0.773 8.942 -1.039 326 2HG1 ILE 51 2HG1 ILE 51 -1.359 10.996 -0.463 327 1HG2 ILE 51 1HG2 ILE 51 1.758 11.289 -0.985 328 2HG2 ILE 51 2HG2 ILE 51 1.974 10.358 -2.486 329 3HG2 ILE 51 3HG2 ILE 51 0.738 11.637 -2.402 330 1HD1 ILE 51 1HD1 ILE 51 -0.347 8.500 0.977 331 2HD1 ILE 51 2HD1 ILE 51 -1.675 9.549 1.532 332 3HD1 ILE 51 3HD1 ILE 51 -1.849 8.613 0.027 333 H GLU 52 H GLU 52 1.205 7.996 -3.452 334 HA GLU 52 HA GLU 52 0.832 8.259 -6.109 335 2HB GLU 52 2HB GLU 52 3.021 10.085 -6.080 336 2HG GLU 52 2HG GLU 52 0.943 11.606 -6.937 337 HE2 GLU 52 HE2 GLU 52 1.242 9.960 -10.095 338 H TYR 53 H TYR 53 3.457 8.434 -7.149 339 HA TYR 53 HA TYR 53 4.535 5.987 -6.152 340 2HB TYR 53 2HB TYR 53 6.332 6.787 -7.939 341 HD1 TYR 53 HD1 TYR 53 5.120 4.407 -8.102 342 HD2 TYR 53 HD2 TYR 53 3.672 8.020 -9.878 343 HE1 TYR 53 HE1 TYR 53 3.760 3.051 -9.768 344 HE2 TYR 53 HE2 TYR 53 2.316 6.652 -11.537 345 HH TYR 53 HH TYR 53 1.816 3.311 -11.134 346 H VAL 54 H VAL 54 6.491 5.617 -5.059 347 HA VAL 54 HA VAL 54 7.423 7.914 -3.551 348 HB VAL 54 HB VAL 54 8.724 5.378 -3.012 349 1HG1 VAL 54 1HG1 VAL 54 8.605 7.337 -1.488 350 2HG1 VAL 54 2HG1 VAL 54 6.852 7.072 -1.323 351 3HG1 VAL 54 3HG1 VAL 54 7.998 5.839 -0.743 352 1HG2 VAL 54 1HG2 VAL 54 5.708 5.425 -3.172 353 2HG2 VAL 54 2HG2 VAL 54 6.846 4.201 -3.787 354 3HG2 VAL 54 3HG2 VAL 54 6.567 4.357 -2.035 355 H ASP 55 H ASP 55 9.935 7.902 -3.130 356 HA ASP 55 HA ASP 55 11.095 7.949 -5.773 357 2HB ASP 55 2HB ASP 55 12.854 8.819 -3.601 358 HD2 ASP 55 HD2 ASP 55 10.740 10.686 -5.996 359 H GLN 56 H GLN 56 10.879 5.959 -2.981 360 HA GLN 56 HA GLN 56 13.540 5.001 -2.973 361 2HB GLN 56 2HB GLN 56 12.209 3.066 -1.641 362 2HG GLN 56 2HG GLN 56 12.064 5.071 0.244 363 1HE2 GLN 56 1HE2 GLN 56 15.218 5.363 -0.698 364 2HE2 GLN 56 2HE2 GLN 56 15.927 3.994 0.091 365 H ILE 57 H ILE 57 14.127 4.245 -5.040 366 HA ILE 57 HA ILE 57 12.393 2.525 -6.505 367 HB ILE 57 HB ILE 57 15.335 2.924 -6.979 368 2HG1 ILE 57 2HG1 ILE 57 14.636 4.906 -8.386 369 1HG2 ILE 57 1HG2 ILE 57 13.062 1.811 -8.460 370 2HG2 ILE 57 2HG2 ILE 57 14.016 2.993 -9.388 371 3HG2 ILE 57 3HG2 ILE 57 14.812 1.569 -8.677 372 1HD1 ILE 57 1HD1 ILE 57 12.238 4.672 -8.485 373 2HD1 ILE 57 2HD1 ILE 57 12.118 4.520 -6.716 374 3HD1 ILE 57 3HD1 ILE 57 12.562 6.081 -7.447 375 H GLU 58 H GLU 58 13.223 0.301 -7.274 376 HA GLU 58 HA GLU 58 13.735 -1.184 -4.893 377 2HB GLU 58 2HB GLU 58 13.703 -2.578 -7.533 378 2HG GLU 58 2HG GLU 58 13.211 -3.216 -4.828 379 HE2 GLU 58 HE2 GLU 58 9.616 -4.266 -5.333 Start of MODEL 11 1 1H MET 1 1H MET 1 9.395 -3.587 -15.102 2 HA MET 1 HA MET 1 7.125 -5.054 -16.183 3 2HB MET 1 2HB MET 1 9.648 -6.585 -15.609 4 2HG MET 1 2HG MET 1 7.210 -6.924 -17.109 5 1HE MET 1 1HE MET 1 7.889 -8.317 -20.654 6 2HE MET 1 2HE MET 1 8.612 -9.291 -19.351 7 3HE MET 1 3HE MET 1 7.014 -8.544 -19.121 8 H HIS 2 H HIS 2 9.699 -4.805 -13.661 9 HA HIS 2 HA HIS 2 8.331 -6.627 -11.940 10 2HB HIS 2 2HB HIS 2 10.099 -5.959 -10.313 11 HD1 HIS 2 HD1 HIS 2 12.252 -5.600 -13.302 12 HD2 HIS 2 HD2 HIS 2 10.446 -8.726 -11.166 13 HE1 HIS 2 HE1 HIS 2 13.414 -7.744 -14.052 14 H SER 3 H SER 3 7.061 -6.164 -10.123 15 HA SER 3 HA SER 3 5.340 -4.168 -10.191 16 2HB SER 3 2HB SER 3 6.534 -5.140 -7.563 17 HG SER 3 HG SER 3 4.434 -3.580 -8.109 18 H ARG 4 H ARG 4 5.162 -1.983 -9.534 19 HA ARG 4 HA ARG 4 7.720 -0.745 -9.034 20 2HB ARG 4 2HB ARG 4 5.516 1.147 -9.273 21 2HG ARG 4 2HG ARG 4 7.211 0.781 -11.648 22 2HD ARG 4 2HD ARG 4 7.542 3.033 -9.674 23 HE ARG 4 HE ARG 4 8.423 3.825 -11.679 24 1HH1 ARG 4 1HH1 ARG 4 5.569 1.865 -12.432 25 2HH1 ARG 4 2HH1 ARG 4 5.638 2.193 -14.131 26 2HH2 ARG 4 2HH2 ARG 4 7.379 3.602 -14.984 27 H PHE 5 H PHE 5 7.527 1.343 -7.518 28 HA PHE 5 HA PHE 5 6.327 0.382 -5.052 29 2HB PHE 5 2HB PHE 5 8.634 1.081 -4.861 30 HD1 PHE 5 HD1 PHE 5 10.198 1.429 -6.541 31 HD2 PHE 5 HD2 PHE 5 7.159 4.328 -5.940 32 HE1 PHE 5 HE1 PHE 5 11.310 2.940 -8.208 33 HE2 PHE 5 HE2 PHE 5 8.271 5.840 -7.606 34 HZ PHE 5 HZ PHE 5 10.333 5.128 -8.721 35 H VAL 6 H VAL 6 4.800 1.555 -3.835 36 HA VAL 6 HA VAL 6 3.895 4.089 -4.934 37 HB VAL 6 HB VAL 6 1.770 3.453 -5.429 38 1HG1 VAL 6 1HG1 VAL 6 1.812 1.570 -6.858 39 2HG1 VAL 6 2HG1 VAL 6 3.486 2.175 -6.834 40 3HG1 VAL 6 3HG1 VAL 6 3.043 0.743 -5.873 41 1HG2 VAL 6 1HG2 VAL 6 2.073 1.040 -3.610 42 2HG2 VAL 6 2HG2 VAL 6 1.215 2.551 -3.226 43 3HG2 VAL 6 3HG2 VAL 6 0.603 1.482 -4.511 44 H LYS 7 H LYS 7 3.490 5.520 -3.311 45 HA LYS 7 HA LYS 7 3.616 4.458 -0.607 46 2HB LYS 7 2HB LYS 7 4.201 7.062 -1.924 47 2HG LYS 7 2HG LYS 7 3.393 6.804 1.012 48 2HD LYS 7 2HD LYS 7 3.796 9.280 1.026 49 2HE LYS 7 2HE LYS 7 6.262 7.758 0.065 50 1HZ LYS 7 1HZ LYS 7 5.789 10.274 1.437 51 2HZ LYS 7 2HZ LYS 7 6.969 9.360 2.087 52 H VAL 8 H VAL 8 1.815 4.076 0.557 53 HA VAL 8 HA VAL 8 -0.599 5.551 -0.243 54 HB VAL 8 HB VAL 8 -1.795 3.507 0.668 55 1HG1 VAL 8 1HG1 VAL 8 -1.159 4.175 -1.830 56 2HG1 VAL 8 2HG1 VAL 8 -0.212 2.671 -1.728 57 3HG1 VAL 8 3HG1 VAL 8 -1.969 2.637 -1.445 58 1HG2 VAL 8 1HG2 VAL 8 0.696 1.944 0.080 59 2HG2 VAL 8 2HG2 VAL 8 0.505 2.691 1.684 60 3HG2 VAL 8 3HG2 VAL 8 -0.704 1.524 1.097 61 H LYS 9 H LYS 9 -2.240 5.649 1.651 62 HA LYS 9 HA LYS 9 -0.818 5.856 4.199 63 2HB LYS 9 2HB LYS 9 -2.227 8.043 2.710 64 2HG LYS 9 2HG LYS 9 -2.491 7.408 5.611 65 2HD LYS 9 2HD LYS 9 -1.142 9.867 4.669 66 2HE LYS 9 2HE LYS 9 -2.574 11.024 6.682 67 1HZ LYS 9 1HZ LYS 9 -3.041 12.417 4.995 68 2HZ LYS 9 2HZ LYS 9 -2.354 11.363 3.961 69 H CYS 10 H CYS 10 -2.014 5.206 5.978 70 HA CYS 10 HA CYS 10 -4.303 3.657 5.402 71 2HB CYS 10 2HB CYS 10 -3.599 4.430 8.212 72 HG CYS 10 HG CYS 10 -4.677 1.929 6.386 73 HA PRO 11 HA PRO 11 -7.164 6.936 5.884 74 2HB PRO 11 2HB PRO 11 -8.573 6.040 4.299 75 2HG PRO 11 2HG PRO 11 -8.217 3.806 3.848 76 2HD PRO 11 2HD PRO 11 -6.016 3.607 4.483 77 H ASP 12 H ASP 12 -7.393 4.063 7.849 78 HA ASP 12 HA ASP 12 -8.952 5.485 9.775 79 2HB ASP 12 2HB ASP 12 -8.893 3.381 11.040 80 HD2 ASP 12 HD2 ASP 12 -11.354 2.598 8.841 81 H CYS 13 H CYS 13 -5.616 4.149 9.340 82 HA CYS 13 HA CYS 13 -4.755 4.949 11.925 83 2HB CYS 13 2HB CYS 13 -2.630 4.538 9.954 84 HG CYS 13 HG CYS 13 -1.800 4.386 12.264 85 H GLU 14 H GLU 14 -4.970 6.347 8.668 86 HA GLU 14 HA GLU 14 -4.634 8.354 7.908 87 2HB GLU 14 2HB GLU 14 -4.254 10.266 9.643 88 2HG GLU 14 2HG GLU 14 -6.735 8.807 10.431 89 HE2 GLU 14 HE2 GLU 14 -6.194 11.182 8.027 90 H HIS 15 H HIS 15 -2.345 6.398 9.033 91 HA HIS 15 HA HIS 15 -0.164 8.322 8.910 92 2HB HIS 15 2HB HIS 15 -0.147 5.376 9.625 93 HD1 HIS 15 HD1 HIS 15 2.165 4.952 8.469 94 HD2 HIS 15 HD2 HIS 15 2.164 8.084 11.259 95 HE1 HIS 15 HE1 HIS 15 4.613 5.505 8.922 96 H GLU 16 H GLU 16 1.633 8.006 7.425 97 HA GLU 16 HA GLU 16 0.668 6.932 4.939 98 2HB GLU 16 2HB GLU 16 2.733 8.019 3.999 99 2HG GLU 16 2HG GLU 16 0.813 9.590 5.749 100 HE2 GLU 16 HE2 GLU 16 2.568 11.461 3.035 101 H GLN 17 H GLN 17 1.574 5.169 3.821 102 HA GLN 17 HA GLN 17 3.878 3.920 5.036 103 2HB GLN 17 2HB GLN 17 2.201 1.741 4.415 104 2HG GLN 17 2HG GLN 17 1.968 1.969 7.139 105 1HE2 GLN 17 1HE2 GLN 17 2.082 -0.154 5.937 106 2HE2 GLN 17 2HE2 GLN 17 3.601 -0.987 5.925 107 H VAL 18 H VAL 18 4.857 2.230 3.571 108 HA VAL 18 HA VAL 18 4.136 2.795 0.777 109 HB VAL 18 HB VAL 18 6.851 2.211 1.976 110 1HG1 VAL 18 1HG1 VAL 18 6.986 1.341 -0.179 111 2HG1 VAL 18 2HG1 VAL 18 5.881 2.563 -0.855 112 3HG1 VAL 18 3HG1 VAL 18 7.543 3.016 -0.406 113 1HG2 VAL 18 1HG2 VAL 18 5.685 4.525 2.350 114 2HG2 VAL 18 2HG2 VAL 18 7.382 4.464 1.816 115 3HG2 VAL 18 3HG2 VAL 18 6.089 4.796 0.637 116 H ILE 19 H ILE 19 3.204 1.073 -0.187 117 HA ILE 19 HA ILE 19 4.275 -1.563 0.486 118 HB ILE 19 HB ILE 19 1.999 -2.481 0.524 119 2HG1 ILE 19 2HG1 ILE 19 1.249 -0.025 -0.566 120 1HG2 ILE 19 1HG2 ILE 19 2.492 -2.363 2.697 121 2HG2 ILE 19 2HG2 ILE 19 3.182 -0.729 2.545 122 3HG2 ILE 19 3HG2 ILE 19 1.424 -0.939 2.736 123 1HD1 ILE 19 1HD1 ILE 19 -0.671 -1.957 0.780 124 2HD1 ILE 19 2HD1 ILE 19 -0.902 -1.030 -0.723 125 3HD1 ILE 19 3HD1 ILE 19 0.220 -2.411 -0.693 126 H PHE 20 H PHE 20 3.519 -3.228 -1.214 127 HA PHE 20 HA PHE 20 4.137 -2.112 -3.757 128 2HB PHE 20 2HB PHE 20 3.934 -4.531 -4.413 129 HD1 PHE 20 HD1 PHE 20 6.350 -4.064 -4.397 130 HD2 PHE 20 HD2 PHE 20 4.293 -5.150 -0.848 131 HE1 PHE 20 HE1 PHE 20 8.540 -4.588 -3.287 132 HE2 PHE 20 HE2 PHE 20 6.482 -5.673 0.262 133 HZ PHE 20 HZ PHE 20 8.580 -5.386 -0.971 134 H ASP 21 H ASP 21 2.825 -2.225 -5.700 135 HA ASP 21 HA ASP 21 0.080 -1.707 -5.079 136 2HB ASP 21 2HB ASP 21 1.561 -0.399 -6.748 137 HD2 ASP 21 HD2 ASP 21 0.263 -0.887 -9.314 138 H HIS 22 H HIS 22 1.681 -4.496 -5.231 139 HA HIS 22 HA HIS 22 -0.538 -5.992 -6.105 140 2HB HIS 22 2HB HIS 22 1.785 -5.685 -7.990 141 HD1 HIS 22 HD1 HIS 22 -1.251 -7.987 -8.229 142 HD2 HIS 22 HD2 HIS 22 2.938 -8.171 -8.343 143 HE1 HIS 22 HE1 HIS 22 -0.659 -10.376 -8.904 144 HA PRO 23 HA PRO 23 2.490 -7.849 -3.242 145 2HB PRO 23 2HB PRO 23 2.132 -6.599 -1.341 146 2HG PRO 23 2HG PRO 23 0.328 -5.168 -1.456 147 2HD PRO 23 2HD PRO 23 0.168 -4.894 -3.733 148 H SER 24 H SER 24 2.300 -9.897 -1.850 149 HA SER 24 HA SER 24 0.285 -11.499 -3.221 150 2HB SER 24 2HB SER 24 2.982 -12.366 -2.087 151 HG SER 24 HG SER 24 0.758 -13.797 -2.849 152 H THR 25 H THR 25 1.830 -10.584 -0.144 153 HA THR 25 HA THR 25 -0.026 -12.362 1.287 154 HB THR 25 HB THR 25 1.746 -11.511 3.172 155 HG1 THR 25 HG1 THR 25 2.851 -10.173 1.570 156 1HG2 THR 25 1HG2 THR 25 1.829 -13.837 2.915 157 2HG2 THR 25 2HG2 THR 25 1.880 -13.737 1.139 158 3HG2 THR 25 3HG2 THR 25 3.347 -13.405 2.091 159 H ILE 26 H ILE 26 -0.956 -11.484 3.341 160 HA ILE 26 HA ILE 26 -2.342 -9.115 2.745 161 HB ILE 26 HB ILE 26 -2.065 -10.620 5.348 162 2HG1 ILE 26 2HG1 ILE 26 -2.862 -11.947 3.347 163 1HG2 ILE 26 1HG2 ILE 26 -3.981 -9.496 6.127 164 2HG2 ILE 26 2HG2 ILE 26 -2.931 -8.228 5.448 165 3HG2 ILE 26 3HG2 ILE 26 -4.336 -8.810 4.523 166 1HD1 ILE 26 1HD1 ILE 26 -4.080 -13.172 4.820 167 2HD1 ILE 26 2HD1 ILE 26 -3.797 -11.864 5.993 168 3HD1 ILE 26 3HD1 ILE 26 -5.280 -11.872 5.009 169 H VAL 27 H VAL 27 -2.096 -6.993 3.446 170 HA VAL 27 HA VAL 27 0.490 -6.460 4.727 171 HB VAL 27 HB VAL 27 -1.232 -4.701 2.970 172 1HG1 VAL 27 1HG1 VAL 27 0.229 -3.576 4.735 173 2HG1 VAL 27 2HG1 VAL 27 1.628 -4.201 3.829 174 3HG1 VAL 27 3HG1 VAL 27 0.491 -3.077 3.046 175 1HG2 VAL 27 1HG2 VAL 27 1.042 -6.559 2.399 176 2HG2 VAL 27 2HG2 VAL 27 -0.393 -6.171 1.421 177 3HG2 VAL 27 3HG2 VAL 27 0.965 -5.022 1.504 178 H LYS 28 H LYS 28 0.336 -6.037 6.864 179 HA LYS 28 HA LYS 28 -2.169 -4.843 7.804 180 2HB LYS 28 2HB LYS 28 -0.932 -5.626 10.068 181 2HG LYS 28 2HG LYS 28 -2.812 -6.943 8.137 182 2HD LYS 28 2HD LYS 28 -2.514 -8.575 10.532 183 2HE LYS 28 2HE LYS 28 -1.911 -10.201 8.397 184 1HZ LYS 28 1HZ LYS 28 -4.689 -9.295 8.759 185 2HZ LYS 28 2HZ LYS 28 -4.136 -10.813 8.557 186 H CYS 29 H CYS 29 -2.180 -2.902 8.949 187 HA CYS 29 HA CYS 29 -0.270 -1.048 8.299 188 2HB CYS 29 2HB CYS 29 -1.872 -0.769 10.832 189 HG CYS 29 HG CYS 29 -0.779 0.984 8.267 190 H ILE 30 H ILE 30 1.819 -0.760 9.005 191 HA ILE 30 HA ILE 30 2.902 -2.447 10.979 192 HB ILE 30 HB ILE 30 4.942 -1.207 10.619 193 2HG1 ILE 30 2HG1 ILE 30 3.463 1.026 10.377 194 1HG2 ILE 30 1HG2 ILE 30 3.365 -1.763 8.094 195 2HG2 ILE 30 2HG2 ILE 30 5.121 -1.476 8.144 196 3HG2 ILE 30 3HG2 ILE 30 4.424 -2.883 8.986 197 1HD1 ILE 30 1HD1 ILE 30 5.489 2.150 9.792 198 2HD1 ILE 30 2HD1 ILE 30 6.014 0.683 10.655 199 3HD1 ILE 30 3HD1 ILE 30 6.094 0.747 8.878 200 H ILE 31 H ILE 31 0.931 0.322 11.210 201 HA ILE 31 HA ILE 31 2.143 1.423 13.554 202 HB ILE 31 HB ILE 31 -0.631 1.870 12.454 203 2HG1 ILE 31 2HG1 ILE 31 0.478 3.889 11.355 204 1HG2 ILE 31 1HG2 ILE 31 1.067 3.198 14.520 205 2HG2 ILE 31 2HG2 ILE 31 0.016 4.213 13.504 206 3HG2 ILE 31 3HG2 ILE 31 -0.688 2.906 14.487 207 1HD1 ILE 31 1HD1 ILE 31 2.672 3.822 12.420 208 2HD1 ILE 31 2HD1 ILE 31 2.916 2.137 11.899 209 3HD1 ILE 31 3HD1 ILE 31 2.877 3.445 10.692 210 H CYS 32 H CYS 32 -1.231 0.160 13.183 211 HA CYS 32 HA CYS 32 -0.953 -0.924 15.869 212 2HB CYS 32 2HB CYS 32 -3.343 -0.189 14.171 213 HG CYS 32 HG CYS 32 -3.908 -2.575 15.011 214 H GLY 33 H GLY 33 -2.069 -1.759 12.514 215 1HA GLY 33 1HA GLY 33 -1.056 -3.929 11.759 216 2HA GLY 33 2HA GLY 33 -1.758 -4.616 13.210 217 H ARG 34 H ARG 34 -3.322 -2.017 11.300 218 HA ARG 34 HA ARG 34 -5.552 -3.784 10.944 219 2HB ARG 34 2HB ARG 34 -5.364 -1.092 11.517 220 2HG ARG 34 2HG ARG 34 -6.278 -1.252 8.612 221 2HD ARG 34 2HD ARG 34 -6.578 1.061 8.746 222 HE ARG 34 HE ARG 34 -8.200 0.465 10.393 223 1HH1 ARG 34 1HH1 ARG 34 -5.011 0.967 11.852 224 2HH1 ARG 34 2HH1 ARG 34 -5.627 1.048 13.469 225 2HH2 ARG 34 2HH2 ARG 34 -7.982 0.814 13.841 226 H THR 35 H THR 35 -6.482 -4.298 8.851 227 HA THR 35 HA THR 35 -4.604 -4.725 6.809 228 HB THR 35 HB THR 35 -7.643 -4.667 6.515 229 HG1 THR 35 HG1 THR 35 -5.857 -6.707 7.635 230 1HG2 THR 35 1HG2 THR 35 -6.036 -7.013 5.664 231 2HG2 THR 35 2HG2 THR 35 -7.295 -6.127 4.771 232 3HG2 THR 35 3HG2 THR 35 -5.622 -5.522 4.784 233 H VAL 36 H VAL 36 -3.794 -3.472 5.253 234 HA VAL 36 HA VAL 36 -5.232 -0.961 4.735 235 HB VAL 36 HB VAL 36 -2.889 -0.237 3.956 236 1HG1 VAL 36 1HG1 VAL 36 -4.221 -0.160 6.466 237 2HG1 VAL 36 2HG1 VAL 36 -2.490 -0.414 6.794 238 3HG1 VAL 36 3HG1 VAL 36 -3.015 0.980 5.819 239 1HG2 VAL 36 1HG2 VAL 36 -1.964 -2.584 4.044 240 2HG2 VAL 36 2HG2 VAL 36 -0.992 -1.355 4.889 241 3HG2 VAL 36 3HG2 VAL 36 -2.024 -2.467 5.819 242 H ALA 37 H ALA 37 -3.659 -3.872 3.419 243 HA ALA 37 HA ALA 37 -4.969 -3.316 0.883 244 1HB ALA 37 1HB ALA 37 -2.726 -2.355 0.612 245 2HB ALA 37 2HB ALA 37 -1.989 -3.876 1.171 246 3HB ALA 37 3HB ALA 37 -2.885 -3.835 -0.366 247 H GLU 38 H GLU 38 -5.685 -5.196 -0.133 248 HA GLU 38 HA GLU 38 -4.971 -7.648 1.281 249 2HB GLU 38 2HB GLU 38 -7.481 -7.966 -0.077 250 2HG GLU 38 2HG GLU 38 -7.165 -7.502 2.903 251 HE2 GLU 38 HE2 GLU 38 -9.434 -10.522 1.714 252 HA PRO 39 HA PRO 39 -3.669 -9.016 -2.639 253 2HB PRO 39 2HB PRO 39 -2.124 -10.442 -1.701 254 2HG PRO 39 2HG PRO 39 -2.528 -10.987 0.504 255 2HD PRO 39 2HD PRO 39 -3.787 -9.174 1.148 256 H THR 40 H THR 40 -6.544 -9.995 -1.174 257 HA THR 40 HA THR 40 -8.319 -11.155 -1.951 258 HB THR 40 HB THR 40 -9.263 -9.970 -3.949 259 HG1 THR 40 HG1 THR 40 -7.670 -8.395 -4.903 260 1HG2 THR 40 1HG2 THR 40 -8.612 -8.742 -1.548 261 2HG2 THR 40 2HG2 THR 40 -7.746 -7.718 -2.718 262 3HG2 THR 40 3HG2 THR 40 -9.505 -7.946 -2.866 263 H GLY 41 H GLY 41 -6.154 -12.830 -2.175 264 1HA GLY 41 1HA GLY 41 -5.425 -14.664 -3.251 265 2HA GLY 41 2HA GLY 41 -7.015 -14.729 -3.985 266 H GLY 42 H GLY 42 -3.789 -13.111 -4.286 267 1HA GLY 42 1HA GLY 42 -2.601 -13.278 -6.344 268 2HA GLY 42 2HA GLY 42 -4.120 -13.241 -7.216 269 H LYS 43 H LYS 43 -4.588 -11.328 -8.199 270 HA LYS 43 HA LYS 43 -3.059 -9.073 -7.955 271 2HB LYS 43 2HB LYS 43 -5.954 -9.334 -8.820 272 2HG LYS 43 2HG LYS 43 -3.899 -7.201 -9.553 273 2HD LYS 43 2HD LYS 43 -6.206 -8.002 -10.877 274 2HE LYS 43 2HE LYS 43 -6.860 -5.819 -8.869 275 1HZ LYS 43 1HZ LYS 43 -8.888 -5.621 -10.477 276 2HZ LYS 43 2HZ LYS 43 -7.549 -4.750 -10.796 277 H GLY 44 H GLY 44 -2.618 -7.965 -6.121 278 1HA GLY 44 1HA GLY 44 -4.557 -7.829 -3.984 279 2HA GLY 44 2HA GLY 44 -2.935 -7.166 -4.010 280 H ASN 45 H ASN 45 -5.558 -5.922 -3.181 281 HA ASN 45 HA ASN 45 -5.473 -3.703 -5.071 282 2HB ASN 45 2HB ASN 45 -7.901 -4.027 -3.342 283 1HD2 ASN 45 1HD2 ASN 45 -9.190 -4.778 -6.002 284 2HD2 ASN 45 2HD2 ASN 45 -9.312 -3.290 -6.880 285 H ILE 46 H ILE 46 -5.287 -1.603 -4.100 286 HA ILE 46 HA ILE 46 -4.487 -1.623 -1.334 287 HB ILE 46 HB ILE 46 -4.605 0.608 -3.366 288 2HG1 ILE 46 2HG1 ILE 46 -3.047 -0.845 -4.266 289 1HG2 ILE 46 1HG2 ILE 46 -2.729 0.831 -1.123 290 2HG2 ILE 46 2HG2 ILE 46 -3.830 2.036 -1.832 291 3HG2 ILE 46 3HG2 ILE 46 -4.441 0.865 -0.639 292 1HD1 ILE 46 1HD1 ILE 46 -1.059 0.315 -4.108 293 2HD1 ILE 46 2HD1 ILE 46 -2.084 1.470 -3.223 294 3HD1 ILE 46 3HD1 ILE 46 -1.076 0.307 -2.328 295 H LYS 47 H LYS 47 -5.922 -1.455 0.295 296 HA LYS 47 HA LYS 47 -8.485 -0.193 -0.307 297 2HB LYS 47 2HB LYS 47 -9.417 -1.482 1.374 298 2HG LYS 47 2HG LYS 47 -7.221 -3.454 0.993 299 2HD LYS 47 2HD LYS 47 -9.824 -3.699 1.599 300 2HE LYS 47 2HE LYS 47 -10.067 -2.698 -0.976 301 1HZ LYS 47 1HZ LYS 47 -9.742 -4.401 -2.387 302 2HZ LYS 47 2HZ LYS 47 -9.512 -5.480 -1.190 303 H ALA 48 H ALA 48 -6.197 1.510 -0.168 304 HA ALA 48 HA ALA 48 -7.024 3.116 2.108 305 1HB ALA 48 1HB ALA 48 -4.353 1.815 1.762 306 2HB ALA 48 2HB ALA 48 -4.367 3.506 2.318 307 3HB ALA 48 3HB ALA 48 -5.226 2.257 3.250 308 H GLU 49 H GLU 49 -6.123 5.396 1.889 309 HA GLU 49 HA GLU 49 -6.499 6.186 -0.795 310 2HB GLU 49 2HB GLU 49 -5.801 7.697 1.751 311 2HG GLU 49 2HG GLU 49 -6.207 8.696 -1.095 312 HE2 GLU 49 HE2 GLU 49 -8.237 9.546 -0.509 313 H ILE 50 H ILE 50 -4.972 6.377 -2.377 314 HA ILE 50 HA ILE 50 -2.201 6.079 -1.608 315 HB ILE 50 HB ILE 50 -3.502 6.240 -4.330 316 2HG1 ILE 50 2HG1 ILE 50 -4.411 4.304 -3.460 317 1HG2 ILE 50 1HG2 ILE 50 -0.736 5.269 -3.562 318 2HG2 ILE 50 2HG2 ILE 50 -1.432 5.354 -5.199 319 3HG2 ILE 50 3HG2 ILE 50 -1.100 6.850 -4.293 320 1HD1 ILE 50 1HD1 ILE 50 -2.805 3.889 -5.461 321 2HD1 ILE 50 2HD1 ILE 50 -1.702 3.183 -4.256 322 3HD1 ILE 50 3HD1 ILE 50 -3.314 2.473 -4.510 323 H ILE 51 H ILE 51 -0.539 7.597 -2.066 324 HA ILE 51 HA ILE 51 -1.579 10.320 -2.328 325 HB ILE 51 HB ILE 51 0.782 9.091 -0.973 326 2HG1 ILE 51 2HG1 ILE 51 -1.430 11.001 -0.213 327 1HG2 ILE 51 1HG2 ILE 51 1.655 11.456 -0.655 328 2HG2 ILE 51 2HG2 ILE 51 1.923 10.712 -2.248 329 3HG2 ILE 51 3HG2 ILE 51 0.628 11.913 -2.035 330 1HD1 ILE 51 1HD1 ILE 51 -2.298 9.171 0.796 331 2HD1 ILE 51 2HD1 ILE 51 -1.037 8.193 0.008 332 3HD1 ILE 51 3HD1 ILE 51 -0.760 8.859 1.635 333 H GLU 52 H GLU 52 1.476 8.559 -3.217 334 HA GLU 52 HA GLU 52 1.088 9.030 -5.945 335 2HB GLU 52 2HB GLU 52 3.479 10.603 -5.184 336 2HG GLU 52 2HG GLU 52 1.157 10.774 -7.114 337 HE2 GLU 52 HE2 GLU 52 1.490 13.078 -8.536 338 H TYR 53 H TYR 53 3.789 9.046 -6.830 339 HA TYR 53 HA TYR 53 4.522 6.366 -6.117 340 2HB TYR 53 2HB TYR 53 6.471 7.209 -7.768 341 HD1 TYR 53 HD1 TYR 53 5.517 4.944 -8.426 342 HD2 TYR 53 HD2 TYR 53 3.576 8.633 -9.386 343 HE1 TYR 53 HE1 TYR 53 4.154 3.767 -10.220 344 HE2 TYR 53 HE2 TYR 53 2.219 7.443 -11.178 345 HH TYR 53 HH TYR 53 1.723 4.340 -11.298 346 H VAL 54 H VAL 54 6.303 5.663 -4.942 347 HA VAL 54 HA VAL 54 7.427 7.609 -3.156 348 HB VAL 54 HB VAL 54 8.513 4.874 -3.202 349 1HG1 VAL 54 1HG1 VAL 54 8.791 5.304 -1.023 350 2HG1 VAL 54 2HG1 VAL 54 8.251 6.962 -1.375 351 3HG1 VAL 54 3HG1 VAL 54 7.079 5.745 -0.815 352 1HG2 VAL 54 1HG2 VAL 54 6.457 4.035 -3.831 353 2HG2 VAL 54 2HG2 VAL 54 6.260 4.116 -2.065 354 3HG2 VAL 54 3HG2 VAL 54 5.556 5.383 -3.098 355 H ASP 55 H ASP 55 9.960 7.287 -2.732 356 HA ASP 55 HA ASP 55 11.147 7.705 -5.349 357 2HB ASP 55 2HB ASP 55 12.465 8.356 -2.692 358 HD2 ASP 55 HD2 ASP 55 14.260 10.847 -4.315 359 H GLN 56 H GLN 56 10.912 5.529 -2.661 360 HA GLN 56 HA GLN 56 13.550 4.511 -2.796 361 2HB GLN 56 2HB GLN 56 11.703 2.605 -1.656 362 2HG GLN 56 2HG GLN 56 13.604 4.635 -0.390 363 1HE2 GLN 56 1HE2 GLN 56 14.257 1.681 0.696 364 2HE2 GLN 56 2HE2 GLN 56 13.291 1.590 2.131 365 H ILE 57 H ILE 57 14.002 3.897 -4.955 366 HA ILE 57 HA ILE 57 12.179 2.249 -6.398 367 HB ILE 57 HB ILE 57 15.082 2.825 -6.983 368 2HG1 ILE 57 2HG1 ILE 57 13.690 4.890 -6.524 369 1HG2 ILE 57 1HG2 ILE 57 14.523 1.209 -8.501 370 2HG2 ILE 57 2HG2 ILE 57 12.801 1.656 -8.519 371 3HG2 ILE 57 3HG2 ILE 57 13.988 2.661 -9.382 372 1HD1 ILE 57 1HD1 ILE 57 14.222 5.766 -9.020 373 2HD1 ILE 57 2HD1 ILE 57 15.513 5.462 -7.833 374 3HD1 ILE 57 3HD1 ILE 57 15.138 4.241 -9.072 375 H GLU 58 H GLU 58 13.105 0.103 -7.402 376 HA GLU 58 HA GLU 58 13.417 -1.637 -5.248 377 2HB GLU 58 2HB GLU 58 14.056 -2.338 -8.132 378 2HG GLU 58 2HG GLU 58 14.291 -4.127 -6.415 379 HE2 GLU 58 HE2 GLU 58 13.507 -4.016 -4.082 Start of MODEL 12 1 1H MET 1 1H MET 1 13.109 -6.857 -13.854 2 HA MET 1 HA MET 1 11.032 -4.980 -14.421 3 2HB MET 1 2HB MET 1 9.930 -7.459 -14.885 4 2HG MET 1 2HG MET 1 12.088 -6.280 -16.696 5 1HE MET 1 1HE MET 1 11.375 -6.569 -19.498 6 2HE MET 1 2HE MET 1 9.759 -7.219 -19.866 7 3HE MET 1 3HE MET 1 9.923 -5.751 -18.874 8 H HIS 2 H HIS 2 11.617 -5.009 -11.642 9 HA HIS 2 HA HIS 2 9.677 -6.726 -10.393 10 2HB HIS 2 2HB HIS 2 11.076 -4.541 -8.914 11 HD1 HIS 2 HD1 HIS 2 12.440 -7.657 -7.908 12 HD2 HIS 2 HD2 HIS 2 8.703 -5.824 -7.383 13 HE1 HIS 2 HE1 HIS 2 11.351 -8.814 -5.913 14 H SER 3 H SER 3 7.705 -6.087 -9.476 15 HA SER 3 HA SER 3 6.200 -4.302 -10.712 16 2HB SER 3 2HB SER 3 5.739 -4.342 -7.767 17 HG SER 3 HG SER 3 3.740 -5.480 -8.740 18 H ARG 4 H ARG 4 5.294 -2.118 -10.014 19 HA ARG 4 HA ARG 4 7.506 -0.423 -9.432 20 2HB ARG 4 2HB ARG 4 4.896 0.922 -9.520 21 2HG ARG 4 2HG ARG 4 7.476 0.905 -11.102 22 2HD ARG 4 2HD ARG 4 5.163 2.703 -11.879 23 HE ARG 4 HE ARG 4 7.767 2.705 -12.685 24 1HH1 ARG 4 1HH1 ARG 4 4.814 1.757 -14.398 25 2HH1 ARG 4 2HH1 ARG 4 5.436 2.174 -15.959 26 2HH2 ARG 4 2HH2 ARG 4 7.659 3.053 -16.140 27 H PHE 5 H PHE 5 6.978 1.570 -7.866 28 HA PHE 5 HA PHE 5 5.986 0.370 -5.390 29 2HB PHE 5 2HB PHE 5 8.215 1.193 -5.100 30 HD1 PHE 5 HD1 PHE 5 9.901 1.599 -6.619 31 HD2 PHE 5 HD2 PHE 5 6.610 4.273 -6.477 32 HE1 PHE 5 HE1 PHE 5 11.026 3.073 -8.312 33 HE2 PHE 5 HE2 PHE 5 7.733 5.747 -8.170 34 HZ PHE 5 HZ PHE 5 9.928 5.130 -9.066 35 H VAL 6 H VAL 6 4.536 1.542 -4.006 36 HA VAL 6 HA VAL 6 3.390 3.974 -5.106 37 HB VAL 6 HB VAL 6 1.813 2.710 -6.099 38 1HG1 VAL 6 1HG1 VAL 6 2.266 0.555 -4.007 39 2HG1 VAL 6 2HG1 VAL 6 1.118 0.438 -5.362 40 3HG1 VAL 6 3HG1 VAL 6 2.865 0.563 -5.682 41 1HG2 VAL 6 1HG2 VAL 6 0.693 2.393 -3.303 42 2HG2 VAL 6 2HG2 VAL 6 0.766 3.961 -4.142 43 3HG2 VAL 6 3HG2 VAL 6 -0.190 2.627 -4.831 44 H LYS 7 H LYS 7 3.128 5.437 -3.492 45 HA LYS 7 HA LYS 7 3.427 4.441 -0.774 46 2HB LYS 7 2HB LYS 7 3.941 7.011 -2.186 47 2HG LYS 7 2HG LYS 7 3.270 6.802 0.788 48 2HD LYS 7 2HD LYS 7 3.705 9.348 0.623 49 2HE LYS 7 2HE LYS 7 6.224 7.722 0.130 50 1HZ LYS 7 1HZ LYS 7 7.062 9.197 1.806 51 2HZ LYS 7 2HZ LYS 7 6.286 10.141 0.730 52 H VAL 8 H VAL 8 1.703 4.115 0.518 53 HA VAL 8 HA VAL 8 -0.736 5.613 -0.150 54 HB VAL 8 HB VAL 8 -1.930 3.589 0.780 55 1HG1 VAL 8 1HG1 VAL 8 -0.401 2.839 -1.704 56 2HG1 VAL 8 2HG1 VAL 8 -2.127 2.623 -1.325 57 3HG1 VAL 8 3HG1 VAL 8 -1.497 4.242 -1.711 58 1HG2 VAL 8 1HG2 VAL 8 0.195 2.649 1.832 59 2HG2 VAL 8 2HG2 VAL 8 -0.831 1.495 0.946 60 3HG2 VAL 8 3HG2 VAL 8 0.655 2.125 0.195 61 H LYS 9 H LYS 9 -2.262 5.724 1.835 62 HA LYS 9 HA LYS 9 -0.692 5.862 4.300 63 2HB LYS 9 2HB LYS 9 -2.141 8.097 2.924 64 2HG LYS 9 2HG LYS 9 -1.821 7.715 5.936 65 2HD LYS 9 2HD LYS 9 -2.126 10.195 4.234 66 2HE LYS 9 2HE LYS 9 -3.294 9.759 7.023 67 1HZ LYS 9 1HZ LYS 9 -2.341 12.159 5.687 68 2HZ LYS 9 2HZ LYS 9 -3.817 12.294 6.362 69 H CYS 10 H CYS 10 -1.788 5.180 6.125 70 HA CYS 10 HA CYS 10 -4.148 3.705 5.659 71 2HB CYS 10 2HB CYS 10 -3.218 4.400 8.429 72 HG CYS 10 HG CYS 10 -5.420 2.990 8.114 73 HA PRO 11 HA PRO 11 -6.876 7.054 6.388 74 2HB PRO 11 2HB PRO 11 -8.385 6.262 4.839 75 2HG PRO 11 2HG PRO 11 -8.118 4.040 4.284 76 2HD PRO 11 2HD PRO 11 -5.897 3.753 4.805 77 H ASP 12 H ASP 12 -7.111 4.108 8.245 78 HA ASP 12 HA ASP 12 -8.550 5.473 10.294 79 2HB ASP 12 2HB ASP 12 -7.790 3.163 11.489 80 HD2 ASP 12 HD2 ASP 12 -10.089 2.095 11.836 81 H CYS 13 H CYS 13 -5.236 4.182 9.642 82 HA CYS 13 HA CYS 13 -4.263 4.897 12.220 83 2HB CYS 13 2HB CYS 13 -2.227 4.512 10.151 84 HG CYS 13 HG CYS 13 -0.942 3.507 11.872 85 H GLU 14 H GLU 14 -4.587 6.358 8.996 86 HA GLU 14 HA GLU 14 -4.285 8.385 8.274 87 2HB GLU 14 2HB GLU 14 -3.918 10.281 9.929 88 2HG GLU 14 2HG GLU 14 -6.083 8.529 11.074 89 HE2 GLU 14 HE2 GLU 14 -8.089 9.991 10.573 90 H HIS 15 H HIS 15 -1.961 6.377 9.243 91 HA HIS 15 HA HIS 15 0.232 8.278 9.021 92 2HB HIS 15 2HB HIS 15 0.510 5.322 9.532 93 HD1 HIS 15 HD1 HIS 15 2.981 5.335 8.818 94 HD2 HIS 15 HD2 HIS 15 2.031 8.307 11.621 95 HE1 HIS 15 HE1 HIS 15 5.203 6.302 9.614 96 H GLU 16 H GLU 16 1.933 7.967 7.431 97 HA GLU 16 HA GLU 16 0.822 6.920 4.995 98 2HB GLU 16 2HB GLU 16 2.912 7.972 3.984 99 2HG GLU 16 2HG GLU 16 0.941 9.555 5.665 100 HE2 GLU 16 HE2 GLU 16 2.605 10.415 2.816 101 H GLN 17 H GLN 17 1.649 5.161 3.813 102 HA GLN 17 HA GLN 17 3.998 3.875 4.907 103 2HB GLN 17 2HB GLN 17 2.285 1.723 4.300 104 2HG GLN 17 2HG GLN 17 2.152 1.728 6.969 105 1HE2 GLN 17 1HE2 GLN 17 2.668 -0.347 6.438 106 2HE2 GLN 17 2HE2 GLN 17 4.275 -0.895 6.095 107 H VAL 18 H VAL 18 4.861 2.153 3.373 108 HA VAL 18 HA VAL 18 4.044 2.778 0.620 109 HB VAL 18 HB VAL 18 6.816 2.267 1.716 110 1HG1 VAL 18 1HG1 VAL 18 7.254 3.151 -0.789 111 2HG1 VAL 18 2HG1 VAL 18 7.101 1.425 -0.380 112 3HG1 VAL 18 3HG1 VAL 18 5.707 2.309 -1.046 113 1HG2 VAL 18 1HG2 VAL 18 6.210 4.479 2.310 114 2HG2 VAL 18 2HG2 VAL 18 7.196 4.629 0.837 115 3HG2 VAL 18 3HG2 VAL 18 5.424 4.771 0.740 116 H ILE 19 H ILE 19 3.092 1.047 -0.309 117 HA ILE 19 HA ILE 19 4.187 -1.584 0.386 118 HB ILE 19 HB ILE 19 1.909 -2.493 0.285 119 2HG1 ILE 19 2HG1 ILE 19 1.213 -0.146 -0.952 120 1HG2 ILE 19 1HG2 ILE 19 2.466 -2.308 2.474 121 2HG2 ILE 19 2HG2 ILE 19 2.823 -0.568 2.356 122 3HG2 ILE 19 3HG2 ILE 19 1.135 -1.125 2.453 123 1HD1 ILE 19 1HD1 ILE 19 -1.082 -0.993 -0.816 124 2HD1 ILE 19 2HD1 ILE 19 0.031 -2.369 -1.012 125 3HD1 ILE 19 3HD1 ILE 19 -0.658 -2.002 0.587 126 H PHE 20 H PHE 20 3.521 -3.265 -1.341 127 HA PHE 20 HA PHE 20 4.194 -2.089 -3.880 128 2HB PHE 20 2HB PHE 20 4.337 -4.525 -4.502 129 HD1 PHE 20 HD1 PHE 20 6.461 -2.826 -3.910 130 HD2 PHE 20 HD2 PHE 20 4.913 -5.929 -1.464 131 HE1 PHE 20 HE1 PHE 20 8.679 -3.021 -2.753 132 HE2 PHE 20 HE2 PHE 20 7.131 -6.124 -0.307 133 HZ PHE 20 HZ PHE 20 8.988 -4.667 -0.965 134 H ASP 21 H ASP 21 2.967 -2.408 -5.856 135 HA ASP 21 HA ASP 21 0.168 -2.223 -5.335 136 2HB ASP 21 2HB ASP 21 1.128 -0.718 -6.984 137 HD2 ASP 21 HD2 ASP 21 1.434 -3.170 -9.678 138 H HIS 22 H HIS 22 2.163 -4.798 -5.394 139 HA HIS 22 HA HIS 22 0.160 -6.628 -6.082 140 2HB HIS 22 2HB HIS 22 2.191 -7.341 -7.972 141 HD1 HIS 22 HD1 HIS 22 0.998 -7.804 -10.363 142 HD2 HIS 22 HD2 HIS 22 -1.539 -6.785 -7.181 143 HE1 HIS 22 HE1 HIS 22 -1.355 -8.481 -11.080 144 HA PRO 23 HA PRO 23 3.602 -7.948 -3.422 145 2HB PRO 23 2HB PRO 23 3.093 -6.803 -1.490 146 2HG PRO 23 2HG PRO 23 1.047 -5.740 -1.512 147 2HD PRO 23 2HD PRO 23 0.743 -5.485 -3.777 148 H SER 24 H SER 24 0.849 -9.378 -1.884 149 HA SER 24 HA SER 24 0.216 -11.444 -3.336 150 2HB SER 24 2HB SER 24 2.048 -13.175 -2.197 151 HG SER 24 HG SER 24 3.032 -12.264 -4.597 152 H THR 25 H THR 25 1.626 -10.514 -0.175 153 HA THR 25 HA THR 25 -0.358 -12.228 1.160 154 HB THR 25 HB THR 25 1.352 -11.449 3.131 155 HG1 THR 25 HG1 THR 25 3.081 -10.510 2.122 156 1HG2 THR 25 1HG2 THR 25 1.596 -13.729 2.989 157 2HG2 THR 25 2HG2 THR 25 1.283 -13.726 1.237 158 3HG2 THR 25 3HG2 THR 25 2.920 -13.389 1.849 159 H ILE 26 H ILE 26 -1.334 -11.317 3.186 160 HA ILE 26 HA ILE 26 -2.627 -8.915 2.537 161 HB ILE 26 HB ILE 26 -2.466 -10.411 5.155 162 2HG1 ILE 26 2HG1 ILE 26 -3.258 -11.717 3.143 163 1HG2 ILE 26 1HG2 ILE 26 -4.378 -9.224 5.872 164 2HG2 ILE 26 2HG2 ILE 26 -3.247 -7.998 5.250 165 3HG2 ILE 26 3HG2 ILE 26 -4.638 -8.508 4.263 166 1HD1 ILE 26 1HD1 ILE 26 -4.774 -11.206 5.670 167 2HD1 ILE 26 2HD1 ILE 26 -5.651 -12.080 4.390 168 3HD1 ILE 26 3HD1 ILE 26 -4.120 -12.730 5.024 169 H VAL 27 H VAL 27 -2.272 -6.792 3.114 170 HA VAL 27 HA VAL 27 0.304 -6.302 4.399 171 HB VAL 27 HB VAL 27 -1.519 -4.457 2.842 172 1HG1 VAL 27 1HG1 VAL 27 1.321 -4.128 3.864 173 2HG1 VAL 27 2HG1 VAL 27 0.546 -3.041 2.684 174 3HG1 VAL 27 3HG1 VAL 27 -0.117 -3.186 4.330 175 1HG2 VAL 27 1HG2 VAL 27 -0.831 -5.684 1.080 176 2HG2 VAL 27 2HG2 VAL 27 0.708 -4.817 1.292 177 3HG2 VAL 27 3HG2 VAL 27 0.497 -6.438 1.992 178 H LYS 28 H LYS 28 0.272 -5.969 6.557 179 HA LYS 28 HA LYS 28 -2.172 -4.804 7.680 180 2HB LYS 28 2HB LYS 28 -0.874 -5.724 9.843 181 2HG LYS 28 2HG LYS 28 -2.828 -6.910 7.911 182 2HD LYS 28 2HD LYS 28 -2.813 -8.888 9.784 183 2HE LYS 28 2HE LYS 28 -0.885 -9.145 7.463 184 1HZ LYS 28 1HZ LYS 28 -2.924 -11.049 7.564 185 2HZ LYS 28 2HZ LYS 28 -1.350 -11.282 7.907 186 H CYS 29 H CYS 29 -2.079 -2.952 8.985 187 HA CYS 29 HA CYS 29 -0.157 -1.094 8.321 188 2HB CYS 29 2HB CYS 29 -1.681 -0.932 10.917 189 HG CYS 29 HG CYS 29 0.226 0.812 9.392 190 H ILE 30 H ILE 30 1.958 -0.870 8.973 191 HA ILE 30 HA ILE 30 3.077 -2.685 10.810 192 HB ILE 30 HB ILE 30 5.123 -1.380 10.479 193 2HG1 ILE 30 2HG1 ILE 30 3.488 0.788 10.118 194 1HG2 ILE 30 1HG2 ILE 30 4.589 -3.114 8.891 195 2HG2 ILE 30 2HG2 ILE 30 3.547 -2.005 7.968 196 3HG2 ILE 30 3HG2 ILE 30 5.304 -1.729 8.031 197 1HD1 ILE 30 1HD1 ILE 30 5.611 1.927 9.309 198 2HD1 ILE 30 2HD1 ILE 30 5.814 0.966 10.794 199 3HD1 ILE 30 3HD1 ILE 30 6.369 0.318 9.232 200 H ILE 31 H ILE 31 1.167 0.094 11.264 201 HA ILE 31 HA ILE 31 2.489 1.027 13.629 202 HB ILE 31 HB ILE 31 -0.259 1.642 12.536 203 2HG1 ILE 31 2HG1 ILE 31 1.037 3.786 11.805 204 1HG2 ILE 31 1HG2 ILE 31 0.720 3.845 13.926 205 2HG2 ILE 31 2HG2 ILE 31 -0.545 2.715 14.464 206 3HG2 ILE 31 3HG2 ILE 31 1.147 2.451 14.948 207 1HD1 ILE 31 1HD1 ILE 31 3.206 3.183 12.839 208 2HD1 ILE 31 2HD1 ILE 31 3.249 1.683 11.880 209 3HD1 ILE 31 3HD1 ILE 31 3.354 3.262 11.065 210 H CYS 32 H CYS 32 -0.966 0.016 13.332 211 HA CYS 32 HA CYS 32 -0.682 -1.239 15.930 212 2HB CYS 32 2HB CYS 32 -3.068 -0.401 14.274 213 HG CYS 32 HG CYS 32 -4.792 -1.555 15.522 214 H GLY 33 H GLY 33 -1.903 -1.927 12.575 215 1HA GLY 33 1HA GLY 33 -0.933 -4.086 11.713 216 2HA GLY 33 2HA GLY 33 -1.619 -4.812 13.153 217 H ARG 34 H ARG 34 -3.157 -2.118 11.353 218 HA ARG 34 HA ARG 34 -5.438 -3.820 10.992 219 2HB ARG 34 2HB ARG 34 -5.176 -1.152 11.641 220 2HG ARG 34 2HG ARG 34 -6.145 -1.197 8.751 221 2HD ARG 34 2HD ARG 34 -6.381 1.117 8.964 222 HE ARG 34 HE ARG 34 -7.975 0.517 10.637 223 1HH1 ARG 34 1HH1 ARG 34 -4.735 0.889 12.020 224 2HH1 ARG 34 2HH1 ARG 34 -5.304 0.941 13.656 225 2HH2 ARG 34 2HH2 ARG 34 -7.656 0.761 14.086 226 H THR 35 H THR 35 -6.428 -4.237 8.901 227 HA THR 35 HA THR 35 -4.577 -4.608 6.804 228 HB THR 35 HB THR 35 -7.624 -4.612 6.599 229 HG1 THR 35 HG1 THR 35 -7.305 -6.807 7.543 230 1HG2 THR 35 1HG2 THR 35 -5.563 -5.432 4.839 231 2HG2 THR 35 2HG2 THR 35 -6.088 -6.932 5.641 232 3HG2 THR 35 3HG2 THR 35 -7.270 -5.933 4.761 233 H VAL 36 H VAL 36 -3.846 -3.299 5.254 234 HA VAL 36 HA VAL 36 -5.353 -0.809 4.849 235 HB VAL 36 HB VAL 36 -3.113 0.072 4.086 236 1HG1 VAL 36 1HG1 VAL 36 -4.290 0.120 6.513 237 2HG1 VAL 36 2HG1 VAL 36 -2.759 -0.677 6.943 238 3HG1 VAL 36 3HG1 VAL 36 -2.741 0.922 6.162 239 1HG2 VAL 36 1HG2 VAL 36 -1.645 -1.892 5.711 240 2HG2 VAL 36 2HG2 VAL 36 -2.317 -2.559 4.204 241 3HG2 VAL 36 3HG2 VAL 36 -1.228 -1.152 4.148 242 H ALA 37 H ALA 37 -3.783 -3.659 3.415 243 HA ALA 37 HA ALA 37 -5.173 -3.063 0.934 244 1HB ALA 37 1HB ALA 37 -2.210 -3.741 0.964 245 2HB ALA 37 2HB ALA 37 -3.212 -3.293 -0.436 246 3HB ALA 37 3HB ALA 37 -2.832 -2.080 0.810 247 H GLU 38 H GLU 38 -5.880 -4.932 -0.110 248 HA GLU 38 HA GLU 38 -4.999 -7.413 1.145 249 2HB GLU 38 2HB GLU 38 -7.576 -7.938 0.211 250 2HG GLU 38 2HG GLU 38 -6.835 -6.977 3.013 251 HE2 GLU 38 HE2 GLU 38 -9.088 -6.421 3.012 252 HA PRO 39 HA PRO 39 -4.162 -8.563 -2.965 253 2HB PRO 39 2HB PRO 39 -2.473 -9.978 -2.296 254 2HG PRO 39 2HG PRO 39 -2.582 -10.630 -0.086 255 2HD PRO 39 2HD PRO 39 -3.798 -8.888 0.794 256 H THR 40 H THR 40 -6.758 -9.831 -1.173 257 HA THR 40 HA THR 40 -8.567 -11.028 -1.799 258 HB THR 40 HB THR 40 -9.128 -8.688 -2.351 259 HG1 THR 40 HG1 THR 40 -9.767 -10.518 -4.553 260 1HG2 THR 40 1HG2 THR 40 -8.892 -7.885 -4.701 261 2HG2 THR 40 2HG2 THR 40 -7.292 -8.212 -3.994 262 3HG2 THR 40 3HG2 THR 40 -8.020 -9.378 -5.125 263 H GLY 41 H GLY 41 -6.407 -12.550 -2.481 264 1HA GLY 41 1HA GLY 41 -6.145 -14.468 -3.680 265 2HA GLY 41 2HA GLY 41 -7.478 -14.015 -4.724 266 H GLY 42 H GLY 42 -6.565 -14.272 -6.762 267 1HA GLY 42 1HA GLY 42 -3.903 -13.467 -7.371 268 2HA GLY 42 2HA GLY 42 -5.152 -13.967 -8.495 269 H LYS 43 H LYS 43 -4.291 -11.182 -6.323 270 HA LYS 43 HA LYS 43 -4.298 -9.315 -8.373 271 2HB LYS 43 2HB LYS 43 -6.761 -8.752 -6.821 272 2HG LYS 43 2HG LYS 43 -6.910 -8.631 -9.728 273 2HD LYS 43 2HD LYS 43 -6.734 -6.026 -8.763 274 2HE LYS 43 2HE LYS 43 -9.391 -6.952 -8.229 275 1HZ LYS 43 1HZ LYS 43 -8.115 -5.146 -9.876 276 2HZ LYS 43 2HZ LYS 43 -8.918 -6.114 -10.910 277 H GLY 44 H GLY 44 -5.168 -7.016 -6.918 278 1HA GLY 44 1HA GLY 44 -4.214 -7.032 -4.248 279 2HA GLY 44 2HA GLY 44 -2.949 -6.496 -5.336 280 H ASN 45 H ASN 45 -5.688 -5.538 -3.535 281 HA ASN 45 HA ASN 45 -5.805 -3.069 -5.083 282 2HB ASN 45 2HB ASN 45 -8.137 -3.629 -3.333 283 1HD2 ASN 45 1HD2 ASN 45 -8.600 -4.454 -6.560 284 2HD2 ASN 45 2HD2 ASN 45 -9.118 -2.928 -7.195 285 H ILE 46 H ILE 46 -5.474 -1.169 -3.843 286 HA ILE 46 HA ILE 46 -4.715 -1.585 -1.087 287 HB ILE 46 HB ILE 46 -4.563 0.790 -2.942 288 2HG1 ILE 46 2HG1 ILE 46 -2.783 -1.472 -2.302 289 1HG2 ILE 46 1HG2 ILE 46 -4.647 0.868 -0.152 290 2HG2 ILE 46 2HG2 ILE 46 -2.919 0.970 -0.561 291 3HG2 ILE 46 3HG2 ILE 46 -4.067 2.142 -1.250 292 1HD1 ILE 46 1HD1 ILE 46 -3.694 -0.804 -4.589 293 2HD1 ILE 46 2HD1 ILE 46 -2.668 0.648 -4.490 294 3HD1 ILE 46 3HD1 ILE 46 -1.924 -0.969 -4.506 295 H LYS 47 H LYS 47 -6.099 -1.379 0.581 296 HA LYS 47 HA LYS 47 -8.635 -0.052 0.051 297 2HB LYS 47 2HB LYS 47 -9.525 -1.297 1.809 298 2HG LYS 47 2HG LYS 47 -7.450 -3.353 1.274 299 2HD LYS 47 2HD LYS 47 -9.930 -3.628 2.047 300 2HE LYS 47 2HE LYS 47 -10.613 -3.769 -0.866 301 1HZ LYS 47 1HZ LYS 47 -12.171 -4.338 0.953 302 2HZ LYS 47 2HZ LYS 47 -12.106 -2.813 1.518 303 H ALA 48 H ALA 48 -6.393 1.671 0.100 304 HA ALA 48 HA ALA 48 -7.123 3.262 2.418 305 1HB ALA 48 1HB ALA 48 -4.494 3.701 2.551 306 2HB ALA 48 2HB ALA 48 -5.257 2.363 3.443 307 3HB ALA 48 3HB ALA 48 -4.428 2.046 1.901 308 H GLU 49 H GLU 49 -6.170 5.549 2.164 309 HA GLU 49 HA GLU 49 -6.743 6.354 -0.485 310 2HB GLU 49 2HB GLU 49 -5.839 7.869 1.998 311 2HG GLU 49 2HG GLU 49 -6.462 8.822 -0.817 312 HE2 GLU 49 HE2 GLU 49 -7.769 11.205 -0.673 313 H ILE 50 H ILE 50 -5.278 6.123 -2.120 314 HA ILE 50 HA ILE 50 -2.484 5.973 -1.540 315 HB ILE 50 HB ILE 50 -3.958 6.057 -4.174 316 2HG1 ILE 50 2HG1 ILE 50 -4.817 4.161 -3.159 317 1HG2 ILE 50 1HG2 ILE 50 -1.377 4.664 -4.018 318 2HG2 ILE 50 2HG2 ILE 50 -2.015 5.781 -5.249 319 3HG2 ILE 50 3HG2 ILE 50 -1.272 6.423 -3.763 320 1HD1 ILE 50 1HD1 ILE 50 -2.252 2.861 -4.070 321 2HD1 ILE 50 2HD1 ILE 50 -3.937 2.365 -4.364 322 3HD1 ILE 50 3HD1 ILE 50 -3.241 3.734 -5.266 323 H ILE 51 H ILE 51 -0.853 7.474 -2.039 324 HA ILE 51 HA ILE 51 -1.876 10.191 -2.365 325 HB ILE 51 HB ILE 51 0.499 8.956 -1.064 326 2HG1 ILE 51 2HG1 ILE 51 -1.586 11.021 -0.367 327 1HG2 ILE 51 1HG2 ILE 51 0.519 11.559 -2.533 328 2HG2 ILE 51 2HG2 ILE 51 1.354 11.453 -0.963 329 3HG2 ILE 51 3HG2 ILE 51 1.815 10.363 -2.294 330 1HD1 ILE 51 1HD1 ILE 51 -0.718 8.905 1.525 331 2HD1 ILE 51 2HD1 ILE 51 -2.359 9.419 1.069 332 3HD1 ILE 51 3HD1 ILE 51 -1.458 8.292 0.027 333 H GLU 52 H GLU 52 0.868 8.095 -3.506 334 HA GLU 52 HA GLU 52 0.428 8.457 -6.148 335 2HB GLU 52 2HB GLU 52 2.705 10.262 -5.883 336 2HG GLU 52 2HG GLU 52 0.635 9.760 -7.685 337 HE2 GLU 52 HE2 GLU 52 -1.101 10.827 -8.350 338 H TYR 53 H TYR 53 2.974 8.524 -7.293 339 HA TYR 53 HA TYR 53 4.012 6.033 -6.407 340 2HB TYR 53 2HB TYR 53 5.766 6.775 -8.215 341 HD1 TYR 53 HD1 TYR 53 2.534 8.250 -9.249 342 HD2 TYR 53 HD2 TYR 53 4.975 4.737 -9.227 343 HE1 TYR 53 HE1 TYR 53 0.994 7.161 -10.954 344 HE2 TYR 53 HE2 TYR 53 3.426 3.660 -10.932 345 HH TYR 53 HH TYR 53 0.869 5.496 -12.458 346 H VAL 54 H VAL 54 5.888 5.546 -5.269 347 HA VAL 54 HA VAL 54 6.928 7.700 -3.669 348 HB VAL 54 HB VAL 54 8.145 5.015 -3.541 349 1HG1 VAL 54 1HG1 VAL 54 8.752 6.113 -1.665 350 2HG1 VAL 54 2HG1 VAL 54 7.370 7.231 -1.746 351 3HG1 VAL 54 3HG1 VAL 54 7.156 5.601 -1.064 352 1HG2 VAL 54 1HG2 VAL 54 5.184 5.438 -3.308 353 2HG2 VAL 54 2HG2 VAL 54 6.091 4.051 -3.957 354 3HG2 VAL 54 3HG2 VAL 54 5.987 4.302 -2.199 355 H ASP 55 H ASP 55 9.501 7.499 -3.302 356 HA ASP 55 HA ASP 55 10.587 7.713 -5.995 357 2HB ASP 55 2HB ASP 55 12.145 8.788 -3.689 358 HD2 ASP 55 HD2 ASP 55 12.691 8.980 -7.027 359 H GLN 56 H GLN 56 10.600 5.961 -2.989 360 HA GLN 56 HA GLN 56 13.298 5.115 -3.100 361 2HB GLN 56 2HB GLN 56 12.167 3.290 -1.460 362 2HG GLN 56 2HG GLN 56 12.048 5.679 0.071 363 1HE2 GLN 56 1HE2 GLN 56 14.269 5.994 1.193 364 2HE2 GLN 56 2HE2 GLN 56 15.114 4.545 1.622 365 H ILE 57 H ILE 57 13.416 4.390 -5.366 366 HA ILE 57 HA ILE 57 11.769 2.428 -6.427 367 HB ILE 57 HB ILE 57 14.680 2.875 -7.075 368 2HG1 ILE 57 2HG1 ILE 57 12.703 4.847 -7.024 369 1HG2 ILE 57 1HG2 ILE 57 12.357 1.597 -8.472 370 2HG2 ILE 57 2HG2 ILE 57 13.624 2.400 -9.429 371 3HG2 ILE 57 3HG2 ILE 57 14.048 1.060 -8.338 372 1HD1 ILE 57 1HD1 ILE 57 15.458 4.462 -8.079 373 2HD1 ILE 57 2HD1 ILE 57 14.540 5.781 -8.844 374 3HD1 ILE 57 3HD1 ILE 57 14.795 5.779 -7.083 375 H GLU 58 H GLU 58 12.692 0.154 -7.105 376 HA GLU 58 HA GLU 58 13.340 -1.108 -4.605 377 2HB GLU 58 2HB GLU 58 12.794 -2.442 -7.288 378 2HG GLU 58 2HG GLU 58 13.675 -3.614 -5.013 379 HE2 GLU 58 HE2 GLU 58 10.135 -3.952 -5.399 Start of MODEL 13 1 1H MET 1 1H MET 1 11.186 -2.489 -14.096 2 HA MET 1 HA MET 1 9.728 -0.301 -14.712 3 2HB MET 1 2HB MET 1 8.509 -1.486 -16.831 4 2HG MET 1 2HG MET 1 11.037 0.217 -16.858 5 1HE MET 1 1HE MET 1 8.766 1.507 -19.744 6 2HE MET 1 2HE MET 1 10.158 2.099 -18.806 7 3HE MET 1 3HE MET 1 10.375 1.597 -20.500 8 H HIS 2 H HIS 2 9.923 -3.866 -14.645 9 HA HIS 2 HA HIS 2 7.154 -4.152 -13.985 10 2HB HIS 2 2HB HIS 2 8.607 -5.808 -15.268 11 HD1 HIS 2 HD1 HIS 2 11.006 -4.926 -13.490 12 HD2 HIS 2 HD2 HIS 2 8.996 -8.589 -13.117 13 HE1 HIS 2 HE1 HIS 2 12.641 -6.528 -12.361 14 H SER 3 H SER 3 6.243 -4.542 -11.948 15 HA SER 3 HA SER 3 6.042 -4.477 -9.788 16 2HB SER 3 2HB SER 3 7.866 -5.334 -8.326 17 HG SER 3 HG SER 3 8.238 -7.064 -10.488 18 H ARG 4 H ARG 4 5.658 -2.164 -9.865 19 HA ARG 4 HA ARG 4 7.986 -0.542 -9.301 20 2HB ARG 4 2HB ARG 4 5.453 0.928 -9.510 21 2HG ARG 4 2HG ARG 4 8.195 0.935 -10.661 22 2HD ARG 4 2HD ARG 4 6.042 2.385 -12.230 23 HE ARG 4 HE ARG 4 8.876 2.231 -12.391 24 1HH1 ARG 4 1HH1 ARG 4 6.084 1.936 -14.553 25 2HH1 ARG 4 2HH1 ARG 4 6.955 2.467 -15.953 26 2HH2 ARG 4 2HH2 ARG 4 9.270 3.048 -15.745 27 H PHE 5 H PHE 5 7.435 1.411 -7.695 28 HA PHE 5 HA PHE 5 6.298 0.153 -5.321 29 2HB PHE 5 2HB PHE 5 8.456 1.032 -4.845 30 HD1 PHE 5 HD1 PHE 5 10.302 1.482 -6.138 31 HD2 PHE 5 HD2 PHE 5 6.901 3.990 -6.526 32 HE1 PHE 5 HE1 PHE 5 11.548 2.918 -7.777 33 HE2 PHE 5 HE2 PHE 5 8.147 5.426 -8.165 34 HZ PHE 5 HZ PHE 5 10.456 4.872 -8.771 35 H VAL 6 H VAL 6 4.811 1.325 -3.935 36 HA VAL 6 HA VAL 6 3.614 3.708 -5.086 37 HB VAL 6 HB VAL 6 2.097 2.389 -6.103 38 1HG1 VAL 6 1HG1 VAL 6 2.710 0.281 -4.015 39 2HG1 VAL 6 2HG1 VAL 6 1.407 0.105 -5.216 40 3HG1 VAL 6 3HG1 VAL 6 3.098 0.263 -5.752 41 1HG2 VAL 6 1HG2 VAL 6 0.072 2.126 -4.794 42 2HG2 VAL 6 2HG2 VAL 6 1.001 2.194 -3.277 43 3HG2 VAL 6 3HG2 VAL 6 0.891 3.633 -4.319 44 H LYS 7 H LYS 7 3.267 5.175 -3.491 45 HA LYS 7 HA LYS 7 3.536 4.211 -0.759 46 2HB LYS 7 2HB LYS 7 3.996 6.789 -2.179 47 2HG LYS 7 2HG LYS 7 3.213 6.544 0.762 48 2HD LYS 7 2HD LYS 7 3.717 9.098 0.659 49 2HE LYS 7 2HE LYS 7 6.175 7.315 0.422 50 1HZ LYS 7 1HZ LYS 7 7.149 8.968 1.609 51 2HZ LYS 7 2HZ LYS 7 5.941 9.918 1.070 52 H VAL 8 H VAL 8 1.789 3.830 0.485 53 HA VAL 8 HA VAL 8 -0.699 5.182 -0.307 54 HB VAL 8 HB VAL 8 -1.694 3.134 0.954 55 1HG1 VAL 8 1HG1 VAL 8 -2.346 2.505 -1.092 56 2HG1 VAL 8 2HG1 VAL 8 -1.248 3.756 -1.723 57 3HG1 VAL 8 3HG1 VAL 8 -0.688 2.073 -1.572 58 1HG2 VAL 8 1HG2 VAL 8 0.843 2.479 1.488 59 2HG2 VAL 8 2HG2 VAL 8 -0.432 1.256 1.270 60 3HG2 VAL 8 3HG2 VAL 8 0.676 1.636 -0.071 61 H LYS 9 H LYS 9 -2.267 5.401 1.631 62 HA LYS 9 HA LYS 9 -0.772 5.841 4.105 63 2HB LYS 9 2HB LYS 9 -2.275 7.892 2.506 64 2HG LYS 9 2HG LYS 9 -2.095 7.637 5.521 65 2HD LYS 9 2HD LYS 9 -1.690 10.101 3.859 66 2HE LYS 9 2HE LYS 9 -3.216 10.242 6.491 67 1HZ LYS 9 1HZ LYS 9 -3.447 12.355 4.570 68 2HZ LYS 9 2HZ LYS 9 -3.027 12.447 6.140 69 H CYS 10 H CYS 10 -1.885 5.246 5.940 70 HA CYS 10 HA CYS 10 -4.219 3.707 5.538 71 2HB CYS 10 2HB CYS 10 -3.373 4.580 8.277 72 HG CYS 10 HG CYS 10 -4.625 2.069 6.601 73 HA PRO 11 HA PRO 11 -6.970 7.092 5.993 74 2HB PRO 11 2HB PRO 11 -8.403 6.246 4.402 75 2HG PRO 11 2HG PRO 11 -8.107 4.007 3.933 76 2HD PRO 11 2HD PRO 11 -5.912 3.745 4.564 77 H ASP 12 H ASP 12 -7.298 4.204 7.927 78 HA ASP 12 HA ASP 12 -8.846 5.608 9.857 79 2HB ASP 12 2HB ASP 12 -7.815 3.276 11.060 80 HD2 ASP 12 HD2 ASP 12 -9.689 3.583 12.130 81 H CYS 13 H CYS 13 -5.474 4.350 9.450 82 HA CYS 13 HA CYS 13 -4.648 5.198 12.030 83 2HB CYS 13 2HB CYS 13 -2.512 4.815 10.058 84 HG CYS 13 HG CYS 13 -2.216 4.941 12.705 85 H GLU 14 H GLU 14 -4.472 6.427 8.641 86 HA GLU 14 HA GLU 14 -4.370 8.508 7.934 87 2HB GLU 14 2HB GLU 14 -4.387 10.427 9.365 88 2HG GLU 14 2HG GLU 14 -5.621 8.515 11.320 89 HE2 GLU 14 HE2 GLU 14 -8.174 9.563 11.238 90 H HIS 15 H HIS 15 -2.049 6.532 9.039 91 HA HIS 15 HA HIS 15 0.144 8.420 8.728 92 2HB HIS 15 2HB HIS 15 0.415 5.496 9.401 93 HD1 HIS 15 HD1 HIS 15 1.694 8.530 11.285 94 HD2 HIS 15 HD2 HIS 15 3.131 5.517 8.746 95 HE1 HIS 15 HE1 HIS 15 4.239 8.705 11.339 96 H GLU 16 H GLU 16 1.859 8.029 7.172 97 HA GLU 16 HA GLU 16 0.770 6.860 4.783 98 2HB GLU 16 2HB GLU 16 2.894 7.842 3.751 99 2HG GLU 16 2HG GLU 16 0.893 9.533 5.294 100 HE2 GLU 16 HE2 GLU 16 3.332 11.098 5.773 101 H GLN 17 H GLN 17 1.559 5.013 3.735 102 HA GLN 17 HA GLN 17 3.908 3.784 4.897 103 2HB GLN 17 2HB GLN 17 2.187 1.611 4.413 104 2HG GLN 17 2HG GLN 17 2.036 2.174 7.175 105 1HE2 GLN 17 1HE2 GLN 17 1.630 -0.059 6.530 106 2HE2 GLN 17 2HE2 GLN 17 2.946 -1.182 6.445 107 H VAL 18 H VAL 18 4.825 2.043 3.462 108 HA VAL 18 HA VAL 18 3.990 2.482 0.677 109 HB VAL 18 HB VAL 18 6.771 2.001 1.767 110 1HG1 VAL 18 1HG1 VAL 18 5.610 1.994 -0.962 111 2HG1 VAL 18 2HG1 VAL 18 7.124 2.910 -0.766 112 3HG1 VAL 18 3HG1 VAL 18 7.062 1.186 -0.327 113 1HG2 VAL 18 1HG2 VAL 18 5.217 4.432 1.444 114 2HG2 VAL 18 2HG2 VAL 18 6.817 4.194 2.186 115 3HG2 VAL 18 3HG2 VAL 18 6.680 4.466 0.432 116 H ILE 19 H ILE 19 3.217 0.691 -0.308 117 HA ILE 19 HA ILE 19 4.277 -1.886 0.579 118 HB ILE 19 HB ILE 19 2.040 -2.845 0.581 119 2HG1 ILE 19 2HG1 ILE 19 1.311 -0.456 -0.742 120 1HG2 ILE 19 1HG2 ILE 19 1.314 -0.981 2.555 121 2HG2 ILE 19 2HG2 ILE 19 2.215 -2.503 2.766 122 3HG2 ILE 19 3HG2 ILE 19 3.094 -0.975 2.509 123 1HD1 ILE 19 1HD1 ILE 19 0.123 -2.277 -1.499 124 2HD1 ILE 19 2HD1 ILE 19 0.078 -3.044 0.107 125 3HD1 ILE 19 3HD1 ILE 19 -1.056 -1.729 -0.283 126 H PHE 20 H PHE 20 3.628 -3.657 -1.063 127 HA PHE 20 HA PHE 20 4.343 -2.644 -3.639 128 2HB PHE 20 2HB PHE 20 4.285 -5.123 -4.153 129 HD1 PHE 20 HD1 PHE 20 6.642 -4.092 -4.052 130 HD2 PHE 20 HD2 PHE 20 4.719 -5.839 -0.696 131 HE1 PHE 20 HE1 PHE 20 8.866 -4.374 -2.924 132 HE2 PHE 20 HE2 PHE 20 6.943 -6.122 0.431 133 HZ PHE 20 HZ PHE 20 8.990 -5.387 -0.696 134 H ASP 21 H ASP 21 3.131 -2.972 -5.626 135 HA ASP 21 HA ASP 21 0.346 -2.559 -5.170 136 2HB ASP 21 2HB ASP 21 1.615 -1.264 -6.880 137 HD2 ASP 21 HD2 ASP 21 3.979 -3.217 -8.533 138 H HIS 22 H HIS 22 2.115 -5.273 -5.024 139 HA HIS 22 HA HIS 22 -0.024 -6.952 -5.801 140 2HB HIS 22 2HB HIS 22 1.007 -6.460 -8.022 141 HD1 HIS 22 HD1 HIS 22 3.208 -9.396 -7.292 142 HD2 HIS 22 HD2 HIS 22 3.623 -5.291 -8.053 143 HE1 HIS 22 HE1 HIS 22 5.680 -9.007 -7.792 144 HA PRO 23 HA PRO 23 2.919 -8.357 -2.611 145 2HB PRO 23 2HB PRO 23 2.413 -6.929 -0.877 146 2HG PRO 23 2HG PRO 23 0.563 -5.599 -1.233 147 2HD PRO 23 2HD PRO 23 0.512 -5.577 -3.531 148 H SER 24 H SER 24 2.639 -10.216 -0.921 149 HA SER 24 HA SER 24 0.821 -12.064 -2.259 150 2HB SER 24 2HB SER 24 2.606 -13.703 -0.966 151 HG SER 24 HG SER 24 2.626 -12.546 -3.597 152 H THR 25 H THR 25 2.104 -10.757 0.805 153 HA THR 25 HA THR 25 0.159 -12.397 2.281 154 HB THR 25 HB THR 25 1.772 -11.301 4.185 155 HG1 THR 25 HG1 THR 25 3.537 -10.473 3.139 156 1HG2 THR 25 1HG2 THR 25 1.682 -13.825 2.774 157 2HG2 THR 25 2HG2 THR 25 3.388 -13.354 2.960 158 3HG2 THR 25 3HG2 THR 25 2.345 -13.501 4.395 159 H ILE 26 H ILE 26 -0.943 -11.315 4.140 160 HA ILE 26 HA ILE 26 -2.291 -9.045 3.175 161 HB ILE 26 HB ILE 26 -2.229 -10.259 5.941 162 2HG1 ILE 26 2HG1 ILE 26 -2.839 -11.807 4.038 163 1HG2 ILE 26 1HG2 ILE 26 -4.656 -9.211 5.815 164 2HG2 ILE 26 2HG2 ILE 26 -3.252 -8.262 6.358 165 3HG2 ILE 26 3HG2 ILE 26 -3.855 -8.087 4.692 166 1HD1 ILE 26 1HD1 ILE 26 -4.444 -11.141 6.446 167 2HD1 ILE 26 2HD1 ILE 26 -5.325 -12.067 5.207 168 3HD1 ILE 26 3HD1 ILE 26 -3.816 -12.714 5.896 169 H VAL 27 H VAL 27 -2.119 -6.857 3.665 170 HA VAL 27 HA VAL 27 0.425 -6.126 4.890 171 HB VAL 27 HB VAL 27 -1.569 -4.469 3.333 172 1HG1 VAL 27 1HG1 VAL 27 -0.003 -3.247 4.888 173 2HG1 VAL 27 2HG1 VAL 27 1.348 -3.882 3.920 174 3HG1 VAL 27 3HG1 VAL 27 0.145 -2.805 3.170 175 1HG2 VAL 27 1HG2 VAL 27 0.982 -5.116 2.034 176 2HG2 VAL 27 2HG2 VAL 27 -0.040 -6.542 2.336 177 3HG2 VAL 27 3HG2 VAL 27 -0.678 -5.172 1.395 178 H LYS 28 H LYS 28 0.426 -5.704 7.033 179 HA LYS 28 HA LYS 28 -2.061 -4.641 8.170 180 2HB LYS 28 2HB LYS 28 -0.679 -5.463 10.332 181 2HG LYS 28 2HG LYS 28 -2.567 -6.883 8.445 182 2HD LYS 28 2HD LYS 28 -2.150 -8.228 11.043 183 2HE LYS 28 2HE LYS 28 -2.828 -8.862 8.225 184 1HZ LYS 28 1HZ LYS 28 -1.914 -11.246 9.443 185 2HZ LYS 28 2HZ LYS 28 -1.501 -10.641 7.988 186 H CYS 29 H CYS 29 -2.061 -2.674 9.217 187 HA CYS 29 HA CYS 29 -0.145 -0.831 8.560 188 2HB CYS 29 2HB CYS 29 -1.796 -0.565 11.072 189 HG CYS 29 HG CYS 29 -2.213 1.783 9.175 190 H ILE 30 H ILE 30 1.935 -0.517 9.284 191 HA ILE 30 HA ILE 30 3.011 -2.196 11.273 192 HB ILE 30 HB ILE 30 5.041 -0.846 10.952 193 2HG1 ILE 30 2HG1 ILE 30 3.345 1.223 10.322 194 1HG2 ILE 30 1HG2 ILE 30 3.884 -2.623 9.236 195 2HG2 ILE 30 2HG2 ILE 30 4.185 -1.237 8.162 196 3HG2 ILE 30 3HG2 ILE 30 5.529 -1.966 9.072 197 1HD1 ILE 30 1HD1 ILE 30 5.351 2.132 10.875 198 2HD1 ILE 30 2HD1 ILE 30 6.231 0.674 10.354 199 3HD1 ILE 30 3HD1 ILE 30 5.802 1.928 9.165 200 H ILE 31 H ILE 31 1.031 0.565 11.475 201 HA ILE 31 HA ILE 31 2.235 1.669 13.829 202 HB ILE 31 HB ILE 31 -0.488 2.157 12.618 203 2HG1 ILE 31 2HG1 ILE 31 0.775 4.250 11.732 204 1HG2 ILE 31 1HG2 ILE 31 -0.436 2.957 14.867 205 2HG2 ILE 31 2HG2 ILE 31 1.167 3.695 14.634 206 3HG2 ILE 31 3HG2 ILE 31 -0.252 4.361 13.789 207 1HD1 ILE 31 1HD1 ILE 31 2.928 3.775 12.894 208 2HD1 ILE 31 2HD1 ILE 31 3.051 2.233 12.014 209 3HD1 ILE 31 3HD1 ILE 31 3.126 3.773 11.125 210 H CYS 32 H CYS 32 -1.177 0.539 13.442 211 HA CYS 32 HA CYS 32 -0.984 -0.533 16.130 212 2HB CYS 32 2HB CYS 32 -3.334 0.067 14.315 213 HG CYS 32 HG CYS 32 -2.884 -1.778 16.952 214 H GLY 33 H GLY 33 -2.040 -1.470 12.777 215 1HA GLY 33 1HA GLY 33 -0.973 -3.650 12.098 216 2HA GLY 33 2HA GLY 33 -1.700 -4.302 13.554 217 H ARG 34 H ARG 34 -3.238 -1.776 11.528 218 HA ARG 34 HA ARG 34 -5.450 -3.571 11.182 219 2HB ARG 34 2HB ARG 34 -5.300 -0.864 11.681 220 2HG ARG 34 2HG ARG 34 -6.139 -1.104 8.759 221 2HD ARG 34 2HD ARG 34 -6.443 1.211 8.826 222 HE ARG 34 HE ARG 34 -6.969 1.198 11.672 223 1HH1 ARG 34 1HH1 ARG 34 -8.035 -0.274 8.631 224 2HH1 ARG 34 2HH1 ARG 34 -9.635 -0.604 9.206 225 2HH2 ARG 34 2HH2 ARG 34 -10.227 0.016 11.444 226 H THR 35 H THR 35 -6.337 -4.146 9.083 227 HA THR 35 HA THR 35 -4.397 -4.592 7.090 228 HB THR 35 HB THR 35 -7.421 -4.662 6.715 229 HG1 THR 35 HG1 THR 35 -7.414 -6.233 8.289 230 1HG2 THR 35 1HG2 THR 35 -5.315 -6.754 6.017 231 2HG2 THR 35 2HG2 THR 35 -6.964 -6.594 5.365 232 3HG2 THR 35 3HG2 THR 35 -5.704 -5.428 4.896 233 H VAL 36 H VAL 36 -3.600 -3.342 5.526 234 HA VAL 36 HA VAL 36 -5.156 -0.934 4.873 235 HB VAL 36 HB VAL 36 -2.864 -0.048 4.196 236 1HG1 VAL 36 1HG1 VAL 36 -2.682 -0.403 7.113 237 2HG1 VAL 36 2HG1 VAL 36 -2.859 1.079 6.143 238 3HG1 VAL 36 3HG1 VAL 36 -4.291 0.102 6.543 239 1HG2 VAL 36 1HG2 VAL 36 -1.730 -2.272 4.231 240 2HG2 VAL 36 2HG2 VAL 36 -0.907 -1.035 5.213 241 3HG2 VAL 36 3HG2 VAL 36 -1.896 -2.287 6.003 242 H ALA 37 H ALA 37 -4.015 -3.988 3.815 243 HA ALA 37 HA ALA 37 -5.017 -3.514 1.196 244 1HB ALA 37 1HB ALA 37 -2.418 -4.469 0.606 245 2HB ALA 37 2HB ALA 37 -3.113 -2.887 0.180 246 3HB ALA 37 3HB ALA 37 -2.194 -3.078 1.693 247 H GLU 38 H GLU 38 -5.642 -5.464 0.252 248 HA GLU 38 HA GLU 38 -4.757 -7.841 1.690 249 2HB GLU 38 2HB GLU 38 -7.456 -8.090 0.567 250 2HG GLU 38 2HG GLU 38 -6.293 -8.331 3.382 251 HE2 GLU 38 HE2 GLU 38 -8.308 -8.768 4.934 252 HA PRO 39 HA PRO 39 -3.849 -9.182 -2.351 253 2HB PRO 39 2HB PRO 39 -2.065 -10.433 -1.607 254 2HG PRO 39 2HG PRO 39 -2.110 -10.933 0.644 255 2HD PRO 39 2HD PRO 39 -3.431 -9.216 1.416 256 H THR 40 H THR 40 -6.269 -8.721 -2.639 257 HA THR 40 HA THR 40 -8.193 -10.594 -2.471 258 HB THR 40 HB THR 40 -8.359 -8.220 -3.355 259 HG1 THR 40 HG1 THR 40 -9.991 -10.001 -3.661 260 1HG2 THR 40 1HG2 THR 40 -8.214 -8.825 -6.147 261 2HG2 THR 40 2HG2 THR 40 -7.208 -7.663 -5.249 262 3HG2 THR 40 3HG2 THR 40 -6.663 -9.345 -5.446 263 H GLY 41 H GLY 41 -9.191 -12.093 -4.032 264 1HA GLY 41 1HA GLY 41 -7.737 -14.241 -4.652 265 2HA GLY 41 2HA GLY 41 -9.109 -13.726 -5.612 266 H GLY 42 H GLY 42 -8.326 -11.510 -6.989 267 1HA GLY 42 1HA GLY 42 -6.487 -12.595 -8.905 268 2HA GLY 42 2HA GLY 42 -7.321 -11.056 -8.969 269 H LYS 43 H LYS 43 -5.942 -9.343 -9.020 270 HA LYS 43 HA LYS 43 -3.296 -9.680 -7.893 271 2HB LYS 43 2HB LYS 43 -3.583 -8.744 -10.155 272 2HG LYS 43 2HG LYS 43 -4.293 -6.145 -9.925 273 2HD LYS 43 2HD LYS 43 -6.712 -7.848 -10.064 274 2HE LYS 43 2HE LYS 43 -5.379 -5.661 -11.539 275 1HZ LYS 43 1HZ LYS 43 -7.008 -7.448 -13.210 276 2HZ LYS 43 2HZ LYS 43 -5.927 -6.323 -13.677 277 H GLY 44 H GLY 44 -2.479 -8.580 -6.113 278 1HA GLY 44 1HA GLY 44 -4.014 -8.024 -3.970 279 2HA GLY 44 2HA GLY 44 -2.475 -7.248 -4.284 280 H ASN 45 H ASN 45 -5.222 -6.326 -3.129 281 HA ASN 45 HA ASN 45 -5.447 -4.011 -4.891 282 2HB ASN 45 2HB ASN 45 -7.755 -4.531 -3.096 283 1HD2 ASN 45 1HD2 ASN 45 -8.107 -5.663 -6.256 284 2HD2 ASN 45 2HD2 ASN 45 -8.721 -4.235 -7.020 285 H ILE 46 H ILE 46 -5.268 -1.980 -3.830 286 HA ILE 46 HA ILE 46 -4.461 -2.093 -1.059 287 HB ILE 46 HB ILE 46 -4.537 0.155 -3.072 288 2HG1 ILE 46 2HG1 ILE 46 -2.612 -1.980 -2.477 289 1HG2 ILE 46 1HG2 ILE 46 -4.427 0.329 -0.266 290 2HG2 ILE 46 2HG2 ILE 46 -2.763 0.591 -0.844 291 3HG2 ILE 46 3HG2 ILE 46 -4.089 1.608 -1.457 292 1HD1 ILE 46 1HD1 ILE 46 -2.352 -1.854 -4.733 293 2HD1 ILE 46 2HD1 ILE 46 -3.740 -0.741 -4.713 294 3HD1 ILE 46 3HD1 ILE 46 -2.082 -0.095 -4.678 295 H LYS 47 H LYS 47 -5.802 -1.768 0.630 296 HA LYS 47 HA LYS 47 -8.456 -0.726 0.019 297 2HB LYS 47 2HB LYS 47 -9.222 -1.859 1.904 298 2HG LYS 47 2HG LYS 47 -6.982 -3.781 1.524 299 2HD LYS 47 2HD LYS 47 -9.691 -3.902 2.173 300 2HE LYS 47 2HE LYS 47 -9.530 -3.882 -0.691 301 1HZ LYS 47 1HZ LYS 47 -10.730 -6.182 -0.820 302 2HZ LYS 47 2HZ LYS 47 -9.103 -6.140 -0.895 303 H ALA 48 H ALA 48 -6.198 1.088 -0.063 304 HA ALA 48 HA ALA 48 -7.118 2.909 2.007 305 1HB ALA 48 1HB ALA 48 -5.286 2.114 3.214 306 2HB ALA 48 2HB ALA 48 -4.325 1.799 1.749 307 3HB ALA 48 3HB ALA 48 -4.562 3.470 2.316 308 H GLU 49 H GLU 49 -6.190 5.181 1.548 309 HA GLU 49 HA GLU 49 -6.638 5.667 -1.200 310 2HB GLU 49 2HB GLU 49 -5.951 7.431 1.176 311 2HG GLU 49 2HG GLU 49 -6.242 8.155 -1.764 312 HE2 GLU 49 HE2 GLU 49 -8.502 10.536 -0.446 313 H ILE 50 H ILE 50 -5.131 5.575 -2.805 314 HA ILE 50 HA ILE 50 -2.357 5.381 -2.087 315 HB ILE 50 HB ILE 50 -3.780 5.317 -4.750 316 2HG1 ILE 50 2HG1 ILE 50 -4.508 3.398 -3.710 317 1HG2 ILE 50 1HG2 ILE 50 -1.172 5.939 -4.455 318 2HG2 ILE 50 2HG2 ILE 50 -1.066 4.163 -4.458 319 3HG2 ILE 50 3HG2 ILE 50 -1.821 5.012 -5.829 320 1HD1 ILE 50 1HD1 ILE 50 -3.514 1.684 -4.886 321 2HD1 ILE 50 2HD1 ILE 50 -2.670 3.033 -5.685 322 3HD1 ILE 50 3HD1 ILE 50 -1.874 2.143 -4.365 323 H ILE 51 H ILE 51 -0.835 6.972 -2.153 324 HA ILE 51 HA ILE 51 -1.791 9.632 -2.734 325 HB ILE 51 HB ILE 51 0.508 8.401 -1.324 326 2HG1 ILE 51 2HG1 ILE 51 -1.540 10.544 -0.806 327 1HG2 ILE 51 1HG2 ILE 51 1.850 9.712 -2.709 328 2HG2 ILE 51 2HG2 ILE 51 0.660 11.034 -2.781 329 3HG2 ILE 51 3HG2 ILE 51 1.580 10.743 -1.284 330 1HD1 ILE 51 1HD1 ILE 51 -0.859 8.707 1.347 331 2HD1 ILE 51 2HD1 ILE 51 -2.423 8.946 0.533 332 3HD1 ILE 51 3HD1 ILE 51 -1.237 7.803 -0.138 333 H GLU 52 H GLU 52 1.025 7.574 -3.769 334 HA GLU 52 HA GLU 52 0.658 7.838 -6.422 335 2HB GLU 52 2HB GLU 52 2.814 9.787 -6.162 336 2HG GLU 52 2HG GLU 52 0.334 10.740 -7.382 337 HE2 GLU 52 HE2 GLU 52 1.556 11.338 -10.030 338 H TYR 53 H TYR 53 3.240 8.038 -7.489 339 HA TYR 53 HA TYR 53 4.390 5.634 -6.524 340 2HB TYR 53 2HB TYR 53 6.162 6.419 -8.269 341 HD1 TYR 53 HD1 TYR 53 5.177 4.254 -9.041 342 HD2 TYR 53 HD2 TYR 53 3.217 7.997 -9.712 343 HE1 TYR 53 HE1 TYR 53 3.714 3.176 -10.819 344 HE2 TYR 53 HE2 TYR 53 1.759 6.907 -11.488 345 HH TYR 53 HH TYR 53 2.096 3.444 -12.218 346 H VAL 54 H VAL 54 6.219 5.266 -5.278 347 HA VAL 54 HA VAL 54 7.099 7.535 -3.717 348 HB VAL 54 HB VAL 54 8.321 4.881 -3.320 349 1HG1 VAL 54 1HG1 VAL 54 8.654 6.709 -1.736 350 2HG1 VAL 54 2HG1 VAL 54 6.896 6.843 -1.490 351 3HG1 VAL 54 3HG1 VAL 54 7.759 5.377 -0.965 352 1HG2 VAL 54 1HG2 VAL 54 5.336 5.287 -3.247 353 2HG2 VAL 54 2HG2 VAL 54 6.276 3.915 -3.880 354 3HG2 VAL 54 3HG2 VAL 54 6.124 4.155 -2.123 355 H ASP 55 H ASP 55 9.600 7.534 -3.205 356 HA ASP 55 HA ASP 55 10.874 7.523 -5.816 357 2HB ASP 55 2HB ASP 55 12.035 8.803 -3.326 358 HD2 ASP 55 HD2 ASP 55 14.087 8.775 -5.996 359 H GLN 56 H GLN 56 10.694 5.938 -2.734 360 HA GLN 56 HA GLN 56 13.405 5.142 -2.587 361 2HB GLN 56 2HB GLN 56 11.848 3.333 -1.069 362 2HG GLN 56 2HG GLN 56 12.645 5.956 0.149 363 1HE2 GLN 56 1HE2 GLN 56 14.957 3.654 0.584 364 2HE2 GLN 56 2HE2 GLN 56 14.370 2.850 2.002 365 H ILE 57 H ILE 57 13.610 4.370 -4.870 366 HA ILE 57 HA ILE 57 12.120 2.286 -5.908 367 HB ILE 57 HB ILE 57 15.042 2.795 -6.443 368 2HG1 ILE 57 2HG1 ILE 57 12.947 4.696 -6.589 369 1HG2 ILE 57 1HG2 ILE 57 12.822 1.380 -7.844 370 2HG2 ILE 57 2HG2 ILE 57 14.006 2.266 -8.834 371 3HG2 ILE 57 3HG2 ILE 57 14.552 0.980 -7.729 372 1HD1 ILE 57 1HD1 ILE 57 15.668 4.705 -6.497 373 2HD1 ILE 57 2HD1 ILE 57 15.423 5.067 -8.223 374 3HD1 ILE 57 3HD1 ILE 57 14.710 6.124 -6.982 375 H GLU 58 H GLU 58 13.165 0.026 -6.439 376 HA GLU 58 HA GLU 58 13.627 -1.146 -3.879 377 2HB GLU 58 2HB GLU 58 13.778 -2.731 -6.436 378 2HG GLU 58 2HG GLU 58 11.881 -3.772 -4.625 379 HE2 GLU 58 HE2 GLU 58 12.547 -5.916 -4.199 Start of MODEL 14 1 1H MET 1 1H MET 1 11.734 -3.720 -14.266 2 HA MET 1 HA MET 1 10.053 -5.929 -15.163 3 2HB MET 1 2HB MET 1 12.510 -6.771 -13.773 4 2HG MET 1 2HG MET 1 12.708 -7.733 -16.339 5 1HE MET 1 1HE MET 1 13.129 -10.406 -15.976 6 2HE MET 1 2HE MET 1 11.618 -11.275 -15.623 7 3HE MET 1 3HE MET 1 11.649 -10.020 -16.884 8 H HIS 2 H HIS 2 11.823 -4.319 -12.469 9 HA HIS 2 HA HIS 2 10.651 -5.995 -10.495 10 2HB HIS 2 2HB HIS 2 11.576 -4.043 -9.004 11 HD1 HIS 2 HD1 HIS 2 14.276 -4.275 -8.370 12 HD2 HIS 2 HD2 HIS 2 12.615 -7.148 -10.935 13 HE1 HIS 2 HE1 HIS 2 15.867 -6.269 -8.335 14 H SER 3 H SER 3 8.864 -5.619 -9.170 15 HA SER 3 HA SER 3 6.724 -4.395 -10.157 16 2HB SER 3 2HB SER 3 6.818 -5.858 -8.113 17 HG SER 3 HG SER 3 8.464 -4.121 -7.130 18 H ARG 4 H ARG 4 5.517 -2.365 -9.412 19 HA ARG 4 HA ARG 4 7.391 -0.196 -9.500 20 2HB ARG 4 2HB ARG 4 4.618 0.668 -9.311 21 2HG ARG 4 2HG ARG 4 6.770 0.623 -11.457 22 2HD ARG 4 2HD ARG 4 4.844 2.402 -12.368 23 HE ARG 4 HE ARG 4 6.021 0.021 -13.328 24 1HH1 ARG 4 1HH1 ARG 4 2.932 1.718 -13.693 25 2HH1 ARG 4 2HH1 ARG 4 2.639 1.100 -15.285 26 2HH2 ARG 4 2HH2 ARG 4 4.241 -0.376 -16.285 27 H PHE 5 H PHE 5 6.658 1.860 -8.101 28 HA PHE 5 HA PHE 5 6.148 0.855 -5.391 29 2HB PHE 5 2HB PHE 5 8.315 1.841 -5.387 30 HD1 PHE 5 HD1 PHE 5 6.564 4.751 -6.906 31 HD2 PHE 5 HD2 PHE 5 9.722 1.936 -7.242 32 HE1 PHE 5 HE1 PHE 5 7.468 6.001 -8.887 33 HE2 PHE 5 HE2 PHE 5 10.625 3.186 -9.223 34 HZ PHE 5 HZ PHE 5 9.487 5.203 -10.022 35 H VAL 6 H VAL 6 4.550 1.814 -4.132 36 HA VAL 6 HA VAL 6 3.275 4.212 -5.174 37 HB VAL 6 HB VAL 6 1.756 2.899 -6.184 38 1HG1 VAL 6 1HG1 VAL 6 1.185 0.555 -5.417 39 2HG1 VAL 6 2HG1 VAL 6 2.867 0.800 -5.947 40 3HG1 VAL 6 3HG1 VAL 6 2.484 0.716 -4.210 41 1HG2 VAL 6 1HG2 VAL 6 -0.191 2.396 -4.744 42 2HG2 VAL 6 2HG2 VAL 6 0.824 2.651 -3.304 43 3HG2 VAL 6 3HG2 VAL 6 0.498 4.004 -4.412 44 H LYS 7 H LYS 7 2.951 5.625 -3.528 45 HA LYS 7 HA LYS 7 3.307 4.593 -0.833 46 2HB LYS 7 2HB LYS 7 3.646 7.229 -2.185 47 2HG LYS 7 2HG LYS 7 3.005 6.859 0.778 48 2HD LYS 7 2HD LYS 7 3.346 9.523 0.509 49 2HE LYS 7 2HE LYS 7 5.938 8.037 0.754 50 1HZ LYS 7 1HZ LYS 7 6.283 9.735 2.169 51 2HZ LYS 7 2HZ LYS 7 4.877 10.398 1.685 52 H VAL 8 H VAL 8 1.640 4.254 0.541 53 HA VAL 8 HA VAL 8 -0.914 5.519 -0.178 54 HB VAL 8 HB VAL 8 -1.771 3.382 1.112 55 1HG1 VAL 8 1HG1 VAL 8 -1.382 4.092 -1.653 56 2HG1 VAL 8 2HG1 VAL 8 -1.220 2.331 -1.458 57 3HG1 VAL 8 3HG1 VAL 8 -2.697 3.156 -0.903 58 1HG2 VAL 8 1HG2 VAL 8 0.779 2.743 1.383 59 2HG2 VAL 8 2HG2 VAL 8 -0.453 1.495 1.085 60 3HG2 VAL 8 3HG2 VAL 8 0.560 2.082 -0.254 61 H LYS 9 H LYS 9 -2.426 5.639 1.816 62 HA LYS 9 HA LYS 9 -0.859 6.047 4.251 63 2HB LYS 9 2HB LYS 9 -2.515 8.093 2.793 64 2HG LYS 9 2HG LYS 9 -2.301 7.637 5.738 65 2HD LYS 9 2HD LYS 9 -1.213 10.050 4.465 66 2HE LYS 9 2HE LYS 9 -2.751 11.060 6.683 67 1HZ LYS 9 1HZ LYS 9 -2.569 11.622 3.790 68 2HZ LYS 9 2HZ LYS 9 -3.648 12.427 4.708 69 H CYS 10 H CYS 10 -1.845 5.247 6.058 70 HA CYS 10 HA CYS 10 -4.183 3.717 5.688 71 2HB CYS 10 2HB CYS 10 -3.147 4.444 8.415 72 HG CYS 10 HG CYS 10 -5.359 2.999 8.154 73 HA PRO 11 HA PRO 11 -6.965 7.001 6.519 74 2HB PRO 11 2HB PRO 11 -8.495 6.191 5.001 75 2HG PRO 11 2HG PRO 11 -8.192 3.982 4.412 76 2HD PRO 11 2HD PRO 11 -5.951 3.743 4.868 77 H ASP 12 H ASP 12 -7.039 4.038 8.353 78 HA ASP 12 HA ASP 12 -8.473 5.331 10.452 79 2HB ASP 12 2HB ASP 12 -7.062 2.808 11.095 80 HD2 ASP 12 HD2 ASP 12 -8.461 2.193 12.981 81 H CYS 13 H CYS 13 -5.134 4.207 9.667 82 HA CYS 13 HA CYS 13 -4.117 4.934 12.236 83 2HB CYS 13 2HB CYS 13 -2.125 4.594 10.117 84 HG CYS 13 HG CYS 13 -1.969 4.590 12.902 85 H GLU 14 H GLU 14 -4.591 6.372 9.024 86 HA GLU 14 HA GLU 14 -4.357 8.399 8.278 87 2HB GLU 14 2HB GLU 14 -3.976 10.312 9.934 88 2HG GLU 14 2HG GLU 14 -6.135 8.561 11.080 89 HE2 GLU 14 HE2 GLU 14 -6.911 10.107 12.385 90 H HIS 15 H HIS 15 -1.956 6.465 9.170 91 HA HIS 15 HA HIS 15 0.178 8.430 8.913 92 2HB HIS 15 2HB HIS 15 0.515 5.471 9.403 93 HD1 HIS 15 HD1 HIS 15 2.915 5.730 8.333 94 HD2 HIS 15 HD2 HIS 15 2.168 8.221 11.624 95 HE1 HIS 15 HE1 HIS 15 5.183 6.637 9.073 96 H GLU 16 H GLU 16 1.858 8.164 7.284 97 HA GLU 16 HA GLU 16 0.713 7.094 4.868 98 2HB GLU 16 2HB GLU 16 2.621 8.288 3.760 99 2HG GLU 16 2HG GLU 16 0.794 9.728 5.703 100 HE2 GLU 16 HE2 GLU 16 1.322 12.690 4.460 101 H GLN 17 H GLN 17 1.594 5.381 3.657 102 HA GLN 17 HA GLN 17 4.046 4.227 4.662 103 2HB GLN 17 2HB GLN 17 2.435 1.979 4.135 104 2HG GLN 17 2HG GLN 17 2.401 2.482 6.946 105 1HE2 GLN 17 1HE2 GLN 17 1.959 0.278 6.601 106 2HE2 GLN 17 2HE2 GLN 17 3.217 -0.878 6.309 107 H VAL 18 H VAL 18 4.953 2.565 3.098 108 HA VAL 18 HA VAL 18 3.954 3.078 0.383 109 HB VAL 18 HB VAL 18 6.825 2.853 1.310 110 1HG1 VAL 18 1HG1 VAL 18 5.534 2.907 -1.389 111 2HG1 VAL 18 2HG1 VAL 18 7.074 3.774 -1.174 112 3HG1 VAL 18 3HG1 VAL 18 6.977 2.030 -0.827 113 1HG2 VAL 18 1HG2 VAL 18 5.121 5.218 0.502 114 2HG2 VAL 18 2HG2 VAL 18 6.075 4.988 1.987 115 3HG2 VAL 18 3HG2 VAL 18 6.899 5.258 0.432 116 H ILE 19 H ILE 19 3.145 1.238 -0.468 117 HA ILE 19 HA ILE 19 4.525 -1.254 0.240 118 HB ILE 19 HB ILE 19 2.363 -2.390 0.217 119 2HG1 ILE 19 2HG1 ILE 19 1.405 -0.222 -1.144 120 1HG2 ILE 19 1HG2 ILE 19 3.365 -1.603 2.328 121 2HG2 ILE 19 2HG2 ILE 19 2.444 -0.087 2.185 122 3HG2 ILE 19 3HG2 ILE 19 1.587 -1.633 2.384 123 1HD1 ILE 19 1HD1 ILE 19 -0.031 -1.957 -1.469 124 2HD1 ILE 19 2HD1 ILE 19 0.327 -2.653 0.130 125 3HD1 ILE 19 3HD1 ILE 19 -0.886 -1.360 -0.027 126 H PHE 20 H PHE 20 4.004 -3.030 -1.442 127 HA PHE 20 HA PHE 20 4.491 -1.835 -4.023 128 2HB PHE 20 2HB PHE 20 4.991 -4.221 -4.593 129 HD1 PHE 20 HD1 PHE 20 6.919 -2.356 -4.087 130 HD2 PHE 20 HD2 PHE 20 5.645 -5.415 -1.435 131 HE1 PHE 20 HE1 PHE 20 9.127 -2.246 -2.899 132 HE2 PHE 20 HE2 PHE 20 7.853 -5.304 -0.246 133 HZ PHE 20 HZ PHE 20 9.567 -3.721 -0.992 134 H ASP 21 H ASP 21 3.288 -2.409 -5.968 135 HA ASP 21 HA ASP 21 0.496 -2.612 -5.368 136 2HB ASP 21 2HB ASP 21 1.343 -0.986 -7.051 137 HD2 ASP 21 HD2 ASP 21 0.797 -2.428 -9.702 138 H HIS 22 H HIS 22 2.130 -4.988 -4.820 139 HA HIS 22 HA HIS 22 0.593 -6.932 -6.067 140 2HB HIS 22 2HB HIS 22 3.413 -6.812 -7.168 141 HD1 HIS 22 HD1 HIS 22 0.854 -7.979 -9.466 142 HD2 HIS 22 HD2 HIS 22 3.204 -9.721 -6.460 143 HE1 HIS 22 HE1 HIS 22 0.792 -10.497 -9.879 144 HA PRO 23 HA PRO 23 3.028 -7.913 -2.331 145 2HB PRO 23 2HB PRO 23 2.042 -6.542 -0.765 146 2HG PRO 23 2HG PRO 23 0.146 -5.453 -1.498 147 2HD PRO 23 2HD PRO 23 0.522 -5.459 -3.766 148 H SER 24 H SER 24 -0.258 -9.031 -2.972 149 HA SER 24 HA SER 24 -0.844 -11.085 -3.582 150 2HB SER 24 2HB SER 24 1.680 -12.344 -2.482 151 HG SER 24 HG SER 24 1.276 -13.865 -4.108 152 H THR 25 H THR 25 0.937 -10.521 -0.517 153 HA THR 25 HA THR 25 -0.990 -12.263 0.864 154 HB THR 25 HB THR 25 0.950 -11.741 2.702 155 HG1 THR 25 HG1 THR 25 2.633 -10.814 1.608 156 1HG2 THR 25 1HG2 THR 25 0.748 -14.035 2.191 157 2HG2 THR 25 2HG2 THR 25 0.849 -13.751 0.437 158 3HG2 THR 25 3HG2 THR 25 2.317 -13.662 1.439 159 H ILE 26 H ILE 26 -1.711 -11.506 3.052 160 HA ILE 26 HA ILE 26 -2.934 -8.997 2.758 161 HB ILE 26 HB ILE 26 -2.599 -10.737 5.204 162 2HG1 ILE 26 2HG1 ILE 26 -3.638 -11.824 3.171 163 1HG2 ILE 26 1HG2 ILE 26 -3.239 -8.557 5.919 164 2HG2 ILE 26 2HG2 ILE 26 -4.446 -8.413 4.619 165 3HG2 ILE 26 3HG2 ILE 26 -4.698 -9.575 5.944 166 1HD1 ILE 26 1HD1 ILE 26 -5.959 -12.025 4.729 167 2HD1 ILE 26 2HD1 ILE 26 -4.508 -13.043 4.878 168 3HD1 ILE 26 3HD1 ILE 26 -4.692 -11.602 5.906 169 H VAL 27 H VAL 27 -2.467 -6.966 3.596 170 HA VAL 27 HA VAL 27 0.191 -6.758 4.836 171 HB VAL 27 HB VAL 27 -1.257 -4.713 3.144 172 1HG1 VAL 27 1HG1 VAL 27 1.178 -3.829 3.000 173 2HG1 VAL 27 2HG1 VAL 27 0.246 -3.530 4.486 174 3HG1 VAL 27 3HG1 VAL 27 1.462 -4.829 4.445 175 1HG2 VAL 27 1HG2 VAL 27 -0.592 -5.795 1.314 176 2HG2 VAL 27 2HG2 VAL 27 1.098 -5.700 1.865 177 3HG2 VAL 27 3HG2 VAL 27 0.090 -7.096 2.319 178 H LYS 28 H LYS 28 0.074 -6.308 6.969 179 HA LYS 28 HA LYS 28 -2.310 -4.885 7.898 180 2HB LYS 28 2HB LYS 28 -1.131 -5.769 10.164 181 2HG LYS 28 2HG LYS 28 -3.121 -6.961 8.243 182 2HD LYS 28 2HD LYS 28 -3.156 -8.483 10.679 183 2HE LYS 28 2HE LYS 28 -2.587 -10.369 8.958 184 1HZ LYS 28 1HZ LYS 28 -4.910 -8.618 8.360 185 2HZ LYS 28 2HZ LYS 28 -4.809 -10.220 8.083 186 H CYS 29 H CYS 29 -2.150 -2.960 9.074 187 HA CYS 29 HA CYS 29 -0.093 -1.270 8.408 188 2HB CYS 29 2HB CYS 29 -1.659 -0.871 10.951 189 HG CYS 29 HG CYS 29 0.216 0.663 8.977 190 H ILE 30 H ILE 30 2.017 -1.162 9.102 191 HA ILE 30 HA ILE 30 2.978 -2.947 11.045 192 HB ILE 30 HB ILE 30 5.068 -1.496 10.797 193 2HG1 ILE 30 2HG1 ILE 30 3.303 0.336 9.725 194 1HG2 ILE 30 1HG2 ILE 30 3.845 -2.791 8.345 195 2HG2 ILE 30 2HG2 ILE 30 5.574 -2.462 8.612 196 3HG2 ILE 30 3HG2 ILE 30 4.720 -3.629 9.649 197 1HD1 ILE 30 1HD1 ILE 30 5.276 1.295 10.437 198 2HD1 ILE 30 2HD1 ILE 30 6.270 -0.050 9.828 199 3HD1 ILE 30 3HD1 ILE 30 5.670 1.193 8.705 200 H ILE 31 H ILE 31 1.222 -0.037 11.336 201 HA ILE 31 HA ILE 31 2.512 0.899 13.714 202 HB ILE 31 HB ILE 31 -0.185 1.627 12.574 203 2HG1 ILE 31 2HG1 ILE 31 1.243 3.625 11.683 204 1HG2 ILE 31 1HG2 ILE 31 -0.296 2.697 14.550 205 2HG2 ILE 31 2HG2 ILE 31 1.461 2.612 14.822 206 3HG2 ILE 31 3HG2 ILE 31 0.784 3.866 13.754 207 1HD1 ILE 31 1HD1 ILE 31 3.317 1.413 11.507 208 2HD1 ILE 31 2HD1 ILE 31 3.506 3.144 11.133 209 3HD1 ILE 31 3HD1 ILE 31 3.352 2.610 12.825 210 H CYS 32 H CYS 32 -0.974 0.025 13.313 211 HA CYS 32 HA CYS 32 -0.853 -1.122 15.974 212 2HB CYS 32 2HB CYS 32 -3.175 -0.360 14.178 213 HG CYS 32 HG CYS 32 -3.642 -2.690 15.411 214 H GLY 33 H GLY 33 -1.935 -1.907 12.593 215 1HA GLY 33 1HA GLY 33 -1.035 -4.132 11.858 216 2HA GLY 33 2HA GLY 33 -1.787 -4.774 13.305 217 H ARG 34 H ARG 34 -3.199 -2.104 11.380 218 HA ARG 34 HA ARG 34 -5.507 -3.764 10.992 219 2HB ARG 34 2HB ARG 34 -5.198 -1.083 11.584 220 2HG ARG 34 2HG ARG 34 -6.029 -1.242 8.649 221 2HD ARG 34 2HD ARG 34 -6.368 1.080 8.751 222 HE ARG 34 HE ARG 34 -7.081 0.809 11.579 223 1HH1 ARG 34 1HH1 ARG 34 -7.992 -0.092 8.275 224 2HH1 ARG 34 2HH1 ARG 34 -9.653 -0.379 8.680 225 2HH2 ARG 34 2HH2 ARG 34 -10.381 -0.065 10.941 226 H THR 35 H THR 35 -6.453 -4.193 8.880 227 HA THR 35 HA THR 35 -4.546 -4.648 6.846 228 HB THR 35 HB THR 35 -7.565 -4.604 6.469 229 HG1 THR 35 HG1 THR 35 -7.289 -6.807 7.555 230 1HG2 THR 35 1HG2 THR 35 -5.434 -6.682 5.756 231 2HG2 THR 35 2HG2 THR 35 -7.131 -6.665 5.221 232 3HG2 THR 35 3HG2 THR 35 -5.998 -5.430 4.624 233 H VAL 36 H VAL 36 -3.731 -3.363 5.320 234 HA VAL 36 HA VAL 36 -5.219 -0.885 4.784 235 HB VAL 36 HB VAL 36 -2.928 -0.026 4.115 236 1HG1 VAL 36 1HG1 VAL 36 -2.996 1.017 6.088 237 2HG1 VAL 36 2HG1 VAL 36 -4.236 -0.151 6.606 238 3HG1 VAL 36 3HG1 VAL 36 -2.518 -0.467 6.947 239 1HG2 VAL 36 1HG2 VAL 36 -2.073 -2.555 4.233 240 2HG2 VAL 36 2HG2 VAL 36 -0.999 -1.171 4.553 241 3HG2 VAL 36 3HG2 VAL 36 -1.710 -2.080 5.909 242 H ALA 37 H ALA 37 -3.703 -3.817 3.530 243 HA ALA 37 HA ALA 37 -4.840 -3.189 0.928 244 1HB ALA 37 1HB ALA 37 -2.864 -2.844 -0.080 245 2HB ALA 37 2HB ALA 37 -2.058 -2.933 1.504 246 3HB ALA 37 3HB ALA 37 -2.259 -4.404 0.525 247 H GLU 38 H GLU 38 -5.670 -5.011 -0.090 248 HA GLU 38 HA GLU 38 -5.093 -7.524 1.273 249 2HB GLU 38 2HB GLU 38 -7.720 -7.500 0.005 250 2HG GLU 38 2HG GLU 38 -7.565 -7.553 2.956 251 HE2 GLU 38 HE2 GLU 38 -9.831 -8.997 3.123 252 HA PRO 39 HA PRO 39 -4.115 -8.868 -2.746 253 2HB PRO 39 2HB PRO 39 -2.622 -10.423 -1.935 254 2HG PRO 39 2HG PRO 39 -2.939 -11.001 0.275 255 2HD PRO 39 2HD PRO 39 -4.030 -9.125 1.035 256 H THR 40 H THR 40 -6.974 -9.641 -1.157 257 HA THR 40 HA THR 40 -8.874 -10.644 -1.850 258 HB THR 40 HB THR 40 -8.873 -8.266 -2.722 259 HG1 THR 40 HG1 THR 40 -10.005 -10.288 -4.521 260 1HG2 THR 40 1HG2 THR 40 -7.745 -9.708 -5.152 261 2HG2 THR 40 2HG2 THR 40 -8.789 -8.282 -5.363 262 3HG2 THR 40 3HG2 THR 40 -7.258 -8.138 -4.467 263 H GLY 41 H GLY 41 -6.585 -12.321 -2.346 264 1HA GLY 41 1HA GLY 41 -6.070 -14.205 -3.454 265 2HA GLY 41 2HA GLY 41 -7.745 -14.264 -3.963 266 H GLY 42 H GLY 42 -4.493 -12.969 -4.769 267 1HA GLY 42 1HA GLY 42 -3.787 -13.302 -7.066 268 2HA GLY 42 2HA GLY 42 -5.376 -12.779 -7.587 269 H LYS 43 H LYS 43 -5.301 -10.770 -8.485 270 HA LYS 43 HA LYS 43 -3.219 -9.007 -8.230 271 2HB LYS 43 2HB LYS 43 -5.354 -7.378 -8.806 272 2HG LYS 43 2HG LYS 43 -3.180 -8.515 -10.141 273 2HD LYS 43 2HD LYS 43 -5.470 -8.952 -12.032 274 2HE LYS 43 2HE LYS 43 -3.761 -10.939 -12.542 275 1HZ LYS 43 1HZ LYS 43 -2.400 -8.663 -13.424 276 2HZ LYS 43 2HZ LYS 43 -3.455 -9.568 -14.275 277 H GLY 44 H GLY 44 -2.518 -7.599 -6.701 278 1HA GLY 44 1HA GLY 44 -3.956 -7.506 -4.189 279 2HA GLY 44 2HA GLY 44 -2.377 -6.835 -4.551 280 H ASN 45 H ASN 45 -5.174 -5.818 -3.415 281 HA ASN 45 HA ASN 45 -5.139 -3.400 -5.045 282 2HB ASN 45 2HB ASN 45 -7.621 -3.936 -3.486 283 1HD2 ASN 45 1HD2 ASN 45 -7.731 -4.708 -6.775 284 2HD2 ASN 45 2HD2 ASN 45 -8.218 -3.177 -7.423 285 H ILE 46 H ILE 46 -4.984 -1.445 -3.836 286 HA ILE 46 HA ILE 46 -4.363 -1.764 -1.042 287 HB ILE 46 HB ILE 46 -4.253 0.537 -2.981 288 2HG1 ILE 46 2HG1 ILE 46 -2.393 -1.524 -2.047 289 1HG2 ILE 46 1HG2 ILE 46 -2.860 1.206 -0.615 290 2HG2 ILE 46 2HG2 ILE 46 -4.298 1.991 -1.309 291 3HG2 ILE 46 3HG2 ILE 46 -4.488 0.677 -0.124 292 1HD1 ILE 46 1HD1 ILE 46 -2.958 -1.027 -4.438 293 2HD1 ILE 46 2HD1 ILE 46 -2.244 0.592 -4.244 294 3HD1 ILE 46 3HD1 ILE 46 -1.218 -0.855 -4.103 295 H LYS 47 H LYS 47 -5.774 -1.533 0.607 296 HA LYS 47 HA LYS 47 -8.404 -0.463 -0.061 297 2HB LYS 47 2HB LYS 47 -9.249 -1.716 1.710 298 2HG LYS 47 2HG LYS 47 -6.971 -3.592 1.331 299 2HD LYS 47 2HD LYS 47 -8.953 -4.936 0.325 300 2HE LYS 47 2HE LYS 47 -9.415 -3.950 3.171 301 1HZ LYS 47 1HZ LYS 47 -10.422 -5.981 3.433 302 2HZ LYS 47 2HZ LYS 47 -10.745 -5.804 1.846 303 H ALA 48 H ALA 48 -6.264 1.415 0.009 304 HA ALA 48 HA ALA 48 -7.223 3.050 2.211 305 1HB ALA 48 1HB ALA 48 -4.604 3.656 2.403 306 2HB ALA 48 2HB ALA 48 -5.368 2.388 3.391 307 3HB ALA 48 3HB ALA 48 -4.458 1.947 1.925 308 H GLU 49 H GLU 49 -6.328 5.381 1.909 309 HA GLU 49 HA GLU 49 -6.887 6.069 -0.770 310 2HB GLU 49 2HB GLU 49 -6.202 7.584 1.754 311 2HG GLU 49 2HG GLU 49 -6.043 8.577 -1.090 312 HE2 GLU 49 HE2 GLU 49 -7.269 11.015 -1.354 313 H ILE 50 H ILE 50 -5.420 5.833 -2.401 314 HA ILE 50 HA ILE 50 -2.642 5.657 -1.859 315 HB ILE 50 HB ILE 50 -4.227 5.836 -4.420 316 2HG1 ILE 50 2HG1 ILE 50 -4.819 3.797 -3.554 317 1HG2 ILE 50 1HG2 ILE 50 -1.949 6.675 -4.768 318 2HG2 ILE 50 2HG2 ILE 50 -1.289 5.183 -4.056 319 3HG2 ILE 50 3HG2 ILE 50 -2.208 5.112 -5.578 320 1HD1 ILE 50 1HD1 ILE 50 -2.070 3.065 -4.650 321 2HD1 ILE 50 2HD1 ILE 50 -3.538 2.059 -4.639 322 3HD1 ILE 50 3HD1 ILE 50 -3.450 3.493 -5.691 323 H ILE 51 H ILE 51 -1.016 7.173 -2.061 324 HA ILE 51 HA ILE 51 -1.946 9.915 -2.256 325 HB ILE 51 HB ILE 51 0.747 8.774 -1.503 326 2HG1 ILE 51 2HG1 ILE 51 0.128 8.769 0.702 327 1HG2 ILE 51 1HG2 ILE 51 -0.345 11.571 -1.617 328 2HG2 ILE 51 2HG2 ILE 51 0.907 11.135 -0.431 329 3HG2 ILE 51 3HG2 ILE 51 1.223 10.939 -2.172 330 1HD1 ILE 51 1HD1 ILE 51 -0.621 10.907 1.245 331 2HD1 ILE 51 2HD1 ILE 51 -1.750 10.973 -0.129 332 3HD1 ILE 51 3HD1 ILE 51 -2.160 10.014 1.314 333 H GLU 52 H GLU 52 1.124 8.393 -3.418 334 HA GLU 52 HA GLU 52 0.468 8.798 -6.116 335 2HB GLU 52 2HB GLU 52 2.757 10.583 -5.535 336 2HG GLU 52 2HG GLU 52 0.503 11.792 -6.906 337 HE2 GLU 52 HE2 GLU 52 2.458 13.368 -8.027 338 H TYR 53 H TYR 53 2.945 8.908 -7.329 339 HA TYR 53 HA TYR 53 4.002 6.360 -6.676 340 2HB TYR 53 2HB TYR 53 5.761 7.394 -8.430 341 HD1 TYR 53 HD1 TYR 53 2.088 8.005 -8.921 342 HD2 TYR 53 HD2 TYR 53 5.518 5.674 -9.974 343 HE1 TYR 53 HE1 TYR 53 0.713 6.748 -10.652 344 HE2 TYR 53 HE2 TYR 53 4.132 4.426 -11.700 345 HH TYR 53 HH TYR 53 1.952 5.098 -13.083 346 H VAL 54 H VAL 54 5.792 5.776 -5.499 347 HA VAL 54 HA VAL 54 7.018 7.883 -3.941 348 HB VAL 54 HB VAL 54 7.950 5.104 -3.661 349 1HG1 VAL 54 1HG1 VAL 54 8.271 5.740 -1.526 350 2HG1 VAL 54 2HG1 VAL 54 7.977 7.389 -2.129 351 3HG1 VAL 54 3HG1 VAL 54 6.648 6.460 -1.394 352 1HG2 VAL 54 1HG2 VAL 54 5.823 4.321 -4.106 353 2HG2 VAL 54 2HG2 VAL 54 5.711 4.635 -2.358 354 3HG2 VAL 54 3HG2 VAL 54 5.033 5.804 -3.517 355 H ASP 55 H ASP 55 9.551 7.421 -3.549 356 HA ASP 55 HA ASP 55 10.657 7.404 -6.240 357 2HB ASP 55 2HB ASP 55 12.429 8.334 -4.074 358 HD2 ASP 55 HD2 ASP 55 12.944 11.154 -6.269 359 H GLN 56 H GLN 56 10.440 5.729 -3.207 360 HA GLN 56 HA GLN 56 13.022 4.574 -3.258 361 2HB GLN 56 2HB GLN 56 11.259 2.946 -1.719 362 2HG GLN 56 2HG GLN 56 12.372 4.871 0.002 363 1HE2 GLN 56 1HE2 GLN 56 15.105 3.858 -0.153 364 2HE2 GLN 56 2HE2 GLN 56 15.071 2.200 0.348 365 H ILE 57 H ILE 57 13.413 3.519 -5.232 366 HA ILE 57 HA ILE 57 11.431 1.687 -6.245 367 HB ILE 57 HB ILE 57 14.228 2.087 -7.276 368 2HG1 ILE 57 2HG1 ILE 57 13.342 4.317 -6.979 369 1HG2 ILE 57 1HG2 ILE 57 11.617 1.131 -8.446 370 2HG2 ILE 57 2HG2 ILE 57 12.967 1.686 -9.464 371 3HG2 ILE 57 3HG2 ILE 57 13.187 0.295 -8.375 372 1HD1 ILE 57 1HD1 ILE 57 14.379 3.451 -9.276 373 2HD1 ILE 57 2HD1 ILE 57 12.733 3.757 -9.881 374 3HD1 ILE 57 3HD1 ILE 57 13.677 5.083 -9.160 375 H GLU 58 H GLU 58 12.235 -0.592 -6.913 376 HA GLU 58 HA GLU 58 13.368 -1.720 -4.511 377 2HB GLU 58 2HB GLU 58 12.508 -3.525 -6.719 378 2HG GLU 58 2HG GLU 58 11.011 -4.125 -4.504 379 HE2 GLU 58 HE2 GLU 58 12.410 -6.201 -6.263 Start of MODEL 15 1 1H MET 1 1H MET 1 9.737 -7.714 -15.817 2 HA MET 1 HA MET 1 11.004 -6.919 -14.241 3 2HB MET 1 2HB MET 1 10.385 -4.339 -13.613 4 2HG MET 1 2HG MET 1 11.249 -4.568 -16.456 5 1HE MET 1 1HE MET 1 13.965 -1.980 -16.168 6 2HE MET 1 2HE MET 1 14.160 -3.734 -16.397 7 3HE MET 1 3HE MET 1 12.810 -2.878 -17.182 8 H HIS 2 H HIS 2 10.937 -5.670 -11.921 9 HA HIS 2 HA HIS 2 9.031 -7.155 -10.428 10 2HB HIS 2 2HB HIS 2 10.206 -5.444 -8.639 11 HD1 HIS 2 HD1 HIS 2 9.476 -7.867 -7.618 12 HD2 HIS 2 HD2 HIS 2 12.991 -7.766 -9.905 13 HE1 HIS 2 HE1 HIS 2 10.750 -10.007 -7.066 14 H SER 3 H SER 3 7.208 -6.431 -9.294 15 HA SER 3 HA SER 3 5.604 -4.644 -10.359 16 2HB SER 3 2HB SER 3 5.665 -4.625 -7.354 17 HG SER 3 HG SER 3 3.544 -4.471 -7.640 18 H ARG 4 H ARG 4 4.917 -2.391 -9.800 19 HA ARG 4 HA ARG 4 7.244 -0.775 -9.492 20 2HB ARG 4 2HB ARG 4 4.652 0.644 -9.541 21 2HG ARG 4 2HG ARG 4 7.171 0.518 -11.232 22 2HD ARG 4 2HD ARG 4 4.510 1.838 -11.886 23 HE ARG 4 HE ARG 4 5.822 3.708 -12.404 24 1HH1 ARG 4 1HH1 ARG 4 7.579 0.781 -13.347 25 2HH1 ARG 4 2HH1 ARG 4 8.841 1.648 -14.157 26 2HH2 ARG 4 2HH2 ARG 4 8.765 4.043 -14.218 27 H PHE 5 H PHE 5 6.911 1.352 -8.055 28 HA PHE 5 HA PHE 5 6.042 0.390 -5.437 29 2HB PHE 5 2HB PHE 5 8.339 1.166 -5.480 30 HD1 PHE 5 HD1 PHE 5 9.731 1.541 -7.298 31 HD2 PHE 5 HD2 PHE 5 6.646 4.335 -6.473 32 HE1 PHE 5 HE1 PHE 5 10.630 3.059 -9.083 33 HE2 PHE 5 HE2 PHE 5 7.545 5.854 -8.258 34 HZ PHE 5 HZ PHE 5 9.526 5.199 -9.540 35 H VAL 6 H VAL 6 4.566 1.546 -4.152 36 HA VAL 6 HA VAL 6 3.505 4.024 -5.237 37 HB VAL 6 HB VAL 6 1.378 3.315 -5.589 38 1HG1 VAL 6 1HG1 VAL 6 2.942 2.101 -7.131 39 2HG1 VAL 6 2HG1 VAL 6 2.810 0.683 -6.064 40 3HG1 VAL 6 3HG1 VAL 6 1.368 1.302 -6.904 41 1HG2 VAL 6 1HG2 VAL 6 1.854 0.946 -3.750 42 2HG2 VAL 6 2HG2 VAL 6 0.997 2.448 -3.330 43 3HG2 VAL 6 3HG2 VAL 6 0.319 1.348 -4.554 44 H LYS 7 H LYS 7 3.112 5.469 -3.618 45 HA LYS 7 HA LYS 7 3.455 4.459 -0.909 46 2HB LYS 7 2HB LYS 7 3.868 7.067 -2.291 47 2HG LYS 7 2HG LYS 7 3.132 6.745 0.652 48 2HD LYS 7 2HD LYS 7 3.682 9.342 0.521 49 2HE LYS 7 2HE LYS 7 6.067 7.455 0.592 50 1HZ LYS 7 1HZ LYS 7 6.688 8.960 2.387 51 2HZ LYS 7 2HZ LYS 7 6.394 9.842 1.049 52 H VAL 8 H VAL 8 1.747 4.076 0.389 53 HA VAL 8 HA VAL 8 -0.759 5.449 -0.306 54 HB VAL 8 HB VAL 8 -1.820 3.400 0.766 55 1HG1 VAL 8 1HG1 VAL 8 -0.392 2.557 -1.727 56 2HG1 VAL 8 2HG1 VAL 8 -2.117 2.446 -1.302 57 3HG1 VAL 8 3HG1 VAL 8 -1.418 4.010 -1.789 58 1HG2 VAL 8 1HG2 VAL 8 0.635 1.866 0.018 59 2HG2 VAL 8 2HG2 VAL 8 0.615 2.702 1.589 60 3HG2 VAL 8 3HG2 VAL 8 -0.633 1.492 1.209 61 H LYS 9 H LYS 9 -2.280 5.576 1.680 62 HA LYS 9 HA LYS 9 -0.719 5.903 4.131 63 2HB LYS 9 2HB LYS 9 -2.234 8.018 2.644 64 2HG LYS 9 2HG LYS 9 -2.049 7.675 5.660 65 2HD LYS 9 2HD LYS 9 -2.007 10.207 4.005 66 2HE LYS 9 2HE LYS 9 -3.162 10.065 6.825 67 1HZ LYS 9 1HZ LYS 9 -3.115 12.293 6.641 68 2HZ LYS 9 2HZ LYS 9 -2.201 12.152 5.300 69 H CYS 10 H CYS 10 -1.771 5.209 5.964 70 HA CYS 10 HA CYS 10 -4.104 3.674 5.562 71 2HB CYS 10 2HB CYS 10 -3.162 4.450 8.304 72 HG CYS 10 HG CYS 10 -3.300 1.696 8.639 73 HA PRO 11 HA PRO 11 -6.901 6.972 6.250 74 2HB PRO 11 2HB PRO 11 -8.415 6.103 4.748 75 2HG PRO 11 2HG PRO 11 -8.104 3.873 4.249 76 2HD PRO 11 2HD PRO 11 -5.869 3.653 4.740 77 H ASP 12 H ASP 12 -7.055 4.069 8.186 78 HA ASP 12 HA ASP 12 -8.484 5.460 10.222 79 2HB ASP 12 2HB ASP 12 -7.245 3.022 11.173 80 HD2 ASP 12 HD2 ASP 12 -9.811 1.602 11.960 81 H CYS 13 H CYS 13 -5.158 4.198 9.561 82 HA CYS 13 HA CYS 13 -4.159 5.004 12.100 83 2HB CYS 13 2HB CYS 13 -2.151 4.596 10.008 84 HG CYS 13 HG CYS 13 -0.831 3.856 11.819 85 H GLU 14 H GLU 14 -4.582 6.382 8.856 86 HA GLU 14 HA GLU 14 -4.308 8.386 8.066 87 2HB GLU 14 2HB GLU 14 -3.737 10.275 9.854 88 2HG GLU 14 2HG GLU 14 -6.345 9.030 10.540 89 HE2 GLU 14 HE2 GLU 14 -5.321 11.163 11.613 90 H HIS 15 H HIS 15 -1.939 6.454 9.062 91 HA HIS 15 HA HIS 15 0.213 8.394 8.784 92 2HB HIS 15 2HB HIS 15 0.329 5.456 9.517 93 HD1 HIS 15 HD1 HIS 15 2.617 4.960 8.450 94 HD2 HIS 15 HD2 HIS 15 2.602 8.386 10.871 95 HE1 HIS 15 HE1 HIS 15 5.060 5.634 8.752 96 H GLU 16 H GLU 16 1.917 8.072 7.194 97 HA GLU 16 HA GLU 16 0.811 6.956 4.787 98 2HB GLU 16 2HB GLU 16 2.803 8.041 3.707 99 2HG GLU 16 2HG GLU 16 0.889 9.544 5.484 100 HE2 GLU 16 HE2 GLU 16 3.343 12.095 3.649 101 H GLN 17 H GLN 17 1.652 5.179 3.643 102 HA GLN 17 HA GLN 17 4.046 3.967 4.702 103 2HB GLN 17 2HB GLN 17 2.346 1.759 4.300 104 2HG GLN 17 2HG GLN 17 2.465 2.631 7.096 105 1HE2 GLN 17 1HE2 GLN 17 1.332 0.519 6.564 106 2HE2 GLN 17 2HE2 GLN 17 2.287 -0.925 6.610 107 H VAL 18 H VAL 18 4.957 2.306 3.200 108 HA VAL 18 HA VAL 18 3.956 2.741 0.470 109 HB VAL 18 HB VAL 18 6.793 2.237 1.388 110 1HG1 VAL 18 1HG1 VAL 18 6.642 1.398 -0.797 111 2HG1 VAL 18 2HG1 VAL 18 5.529 2.685 -1.317 112 3HG1 VAL 18 3HG1 VAL 18 7.243 3.059 -1.018 113 1HG2 VAL 18 1HG2 VAL 18 5.682 4.506 1.975 114 2HG2 VAL 18 2HG2 VAL 18 7.265 4.514 1.161 115 3HG2 VAL 18 3HG2 VAL 18 5.783 4.831 0.227 116 H ILE 19 H ILE 19 3.103 0.958 -0.458 117 HA ILE 19 HA ILE 19 4.225 -1.624 0.346 118 HB ILE 19 HB ILE 19 1.971 -2.580 0.375 119 2HG1 ILE 19 2HG1 ILE 19 1.196 -0.257 -0.921 120 1HG2 ILE 19 1HG2 ILE 19 1.218 -1.216 2.504 121 2HG2 ILE 19 2HG2 ILE 19 2.682 -2.228 2.522 122 3HG2 ILE 19 3HG2 ILE 19 2.820 -0.465 2.312 123 1HD1 ILE 19 1HD1 ILE 19 0.180 -2.756 -0.484 124 2HD1 ILE 19 2HD1 ILE 19 -0.929 -1.785 0.515 125 3HD1 ILE 19 3HD1 ILE 19 -0.756 -1.434 -1.221 126 H PHE 20 H PHE 20 3.532 -3.384 -1.290 127 HA PHE 20 HA PHE 20 4.219 -2.390 -3.867 128 2HB PHE 20 2HB PHE 20 4.072 -4.836 -4.406 129 HD1 PHE 20 HD1 PHE 20 4.283 -5.790 -1.014 130 HD2 PHE 20 HD2 PHE 20 6.467 -3.844 -4.088 131 HE1 PHE 20 HE1 PHE 20 6.422 -6.243 0.219 132 HE2 PHE 20 HE2 PHE 20 8.606 -4.297 -2.855 133 HZ PHE 20 HZ PHE 20 8.557 -5.491 -0.716 134 H ASP 21 H ASP 21 2.967 -2.603 -5.838 135 HA ASP 21 HA ASP 21 0.197 -2.091 -5.325 136 2HB ASP 21 2HB ASP 21 1.393 -0.692 -6.949 137 HD2 ASP 21 HD2 ASP 21 3.734 -1.303 -8.130 138 H HIS 22 H HIS 22 1.793 -4.865 -5.257 139 HA HIS 22 HA HIS 22 -0.361 -6.433 -6.113 140 2HB HIS 22 2HB HIS 22 1.941 -6.136 -8.018 141 HD1 HIS 22 HD1 HIS 22 2.525 -8.037 -9.647 142 HD2 HIS 22 HD2 HIS 22 -0.323 -9.117 -6.763 143 HE1 HIS 22 HE1 HIS 22 2.262 -10.569 -9.817 144 HA PRO 23 HA PRO 23 2.699 -8.124 -3.184 145 2HB PRO 23 2HB PRO 23 2.308 -6.817 -1.330 146 2HG PRO 23 2HG PRO 23 0.472 -5.431 -1.498 147 2HD PRO 23 2HD PRO 23 0.312 -5.242 -3.784 148 H SER 24 H SER 24 2.451 -10.092 -1.611 149 HA SER 24 HA SER 24 0.551 -11.812 -3.004 150 2HB SER 24 2HB SER 24 2.901 -12.426 -3.441 151 HG SER 24 HG SER 24 3.038 -12.702 -0.559 152 H THR 25 H THR 25 1.940 -10.727 0.099 153 HA THR 25 HA THR 25 0.009 -12.430 1.522 154 HB THR 25 HB THR 25 1.690 -11.489 3.448 155 HG1 THR 25 HG1 THR 25 3.147 -10.335 2.192 156 1HG2 THR 25 1HG2 THR 25 2.732 -13.607 1.519 157 2HG2 THR 25 2HG2 THR 25 2.937 -13.530 3.285 158 3HG2 THR 25 3HG2 THR 25 1.351 -13.943 2.591 159 H ILE 26 H ILE 26 -1.020 -11.452 3.480 160 HA ILE 26 HA ILE 26 -2.364 -9.114 2.703 161 HB ILE 26 HB ILE 26 -2.221 -10.489 5.388 162 2HG1 ILE 26 2HG1 ILE 26 -2.921 -11.910 3.415 163 1HG2 ILE 26 1HG2 ILE 26 -3.722 -8.148 4.394 164 2HG2 ILE 26 2HG2 ILE 26 -4.690 -9.370 5.255 165 3HG2 ILE 26 3HG2 ILE 26 -3.285 -8.622 6.052 166 1HD1 ILE 26 1HD1 ILE 26 -4.793 -12.893 4.594 167 2HD1 ILE 26 2HD1 ILE 26 -3.668 -12.274 5.825 168 3HD1 ILE 26 3HD1 ILE 26 -5.143 -11.361 5.429 169 H VAL 27 H VAL 27 -2.147 -6.960 3.314 170 HA VAL 27 HA VAL 27 0.428 -6.347 4.558 171 HB VAL 27 HB VAL 27 -1.444 -4.499 3.076 172 1HG1 VAL 27 1HG1 VAL 27 0.028 -3.061 4.050 173 2HG1 VAL 27 2HG1 VAL 27 1.296 -4.297 4.225 174 3HG1 VAL 27 3HG1 VAL 27 1.024 -3.518 2.648 175 1HG2 VAL 27 1HG2 VAL 27 0.774 -6.259 1.991 176 2HG2 VAL 27 2HG2 VAL 27 -0.943 -6.248 1.521 177 3HG2 VAL 27 3HG2 VAL 27 0.100 -4.863 1.116 178 H LYS 28 H LYS 28 0.384 -5.989 6.712 179 HA LYS 28 HA LYS 28 -2.086 -4.845 7.809 180 2HB LYS 28 2HB LYS 28 -0.835 -5.781 9.990 181 2HG LYS 28 2HG LYS 28 -2.732 -6.986 8.003 182 2HD LYS 28 2HD LYS 28 -1.749 -8.595 10.397 183 2HE LYS 28 2HE LYS 28 -2.929 -10.036 8.143 184 1HZ LYS 28 1HZ LYS 28 -4.483 -10.021 10.490 185 2HZ LYS 28 2HZ LYS 28 -3.536 -11.223 9.932 186 H CYS 29 H CYS 29 -2.009 -2.967 9.053 187 HA CYS 29 HA CYS 29 -0.026 -1.155 8.448 188 2HB CYS 29 2HB CYS 29 -1.653 -0.914 10.973 189 HG CYS 29 HG CYS 29 0.186 0.771 9.086 190 H ILE 30 H ILE 30 2.064 -0.967 9.187 191 HA ILE 30 HA ILE 30 3.047 -2.764 11.126 192 HB ILE 30 HB ILE 30 5.129 -1.368 10.877 193 2HG1 ILE 30 2HG1 ILE 30 3.377 0.563 9.922 194 1HG2 ILE 30 1HG2 ILE 30 5.407 -3.101 9.493 195 2HG2 ILE 30 2HG2 ILE 30 3.742 -3.000 8.871 196 3HG2 ILE 30 3HG2 ILE 30 5.010 -1.947 8.197 197 1HD1 ILE 30 1HD1 ILE 30 6.286 0.158 10.250 198 2HD1 ILE 30 2HD1 ILE 30 5.876 1.341 8.985 199 3HD1 ILE 30 3HD1 ILE 30 5.286 1.575 10.648 200 H ILE 31 H ILE 31 1.209 0.083 11.401 201 HA ILE 31 HA ILE 31 2.468 1.075 13.774 202 HB ILE 31 HB ILE 31 -0.235 1.710 12.584 203 2HG1 ILE 31 2HG1 ILE 31 1.165 3.785 11.790 204 1HG2 ILE 31 1HG2 ILE 31 0.230 3.918 13.800 205 2HG2 ILE 31 2HG2 ILE 31 -0.255 2.516 14.782 206 3HG2 ILE 31 3HG2 ILE 31 1.454 3.009 14.718 207 1HD1 ILE 31 1HD1 ILE 31 3.278 1.604 11.633 208 2HD1 ILE 31 2HD1 ILE 31 3.446 3.334 11.250 209 3HD1 ILE 31 3HD1 ILE 31 3.271 2.811 12.942 210 H CYS 32 H CYS 32 -0.994 0.112 13.385 211 HA CYS 32 HA CYS 32 -0.828 -1.043 16.041 212 2HB CYS 32 2HB CYS 32 -3.138 -0.205 14.279 213 HG CYS 32 HG CYS 32 -3.841 -2.546 15.131 214 H GLY 33 H GLY 33 -1.952 -1.820 12.671 215 1HA GLY 33 1HA GLY 33 -1.016 -4.030 11.916 216 2HA GLY 33 2HA GLY 33 -1.760 -4.689 13.360 217 H ARG 34 H ARG 34 -3.186 -2.025 11.430 218 HA ARG 34 HA ARG 34 -5.491 -3.693 11.055 219 2HB ARG 34 2HB ARG 34 -5.208 -1.022 11.647 220 2HG ARG 34 2HG ARG 34 -5.999 -1.138 8.702 221 2HD ARG 34 2HD ARG 34 -6.322 1.170 8.837 222 HE ARG 34 HE ARG 34 -8.025 0.577 10.396 223 1HH1 ARG 34 1HH1 ARG 34 -4.908 1.022 12.021 224 2HH1 ARG 34 2HH1 ARG 34 -5.603 1.080 13.607 225 2HH2 ARG 34 2HH2 ARG 34 -7.977 0.862 13.857 226 H THR 35 H THR 35 -6.457 -4.100 8.937 227 HA THR 35 HA THR 35 -4.551 -4.589 6.907 228 HB THR 35 HB THR 35 -7.596 -4.525 6.655 229 HG1 THR 35 HG1 THR 35 -7.262 -5.819 8.466 230 1HG2 THR 35 1HG2 THR 35 -7.303 -6.011 4.905 231 2HG2 THR 35 2HG2 THR 35 -5.689 -5.268 4.803 232 3HG2 THR 35 3HG2 THR 35 -5.912 -6.797 5.688 233 H VAL 36 H VAL 36 -3.735 -3.331 5.356 234 HA VAL 36 HA VAL 36 -5.175 -0.822 4.834 235 HB VAL 36 HB VAL 36 -2.885 -0.009 4.133 236 1HG1 VAL 36 1HG1 VAL 36 -2.748 0.975 6.145 237 2HG1 VAL 36 2HG1 VAL 36 -4.159 -0.014 6.589 238 3HG1 VAL 36 3HG1 VAL 36 -2.518 -0.576 6.988 239 1HG2 VAL 36 1HG2 VAL 36 -2.115 -2.602 4.276 240 2HG2 VAL 36 2HG2 VAL 36 -0.994 -1.227 4.422 241 3HG2 VAL 36 3HG2 VAL 36 -1.605 -2.036 5.885 242 H ALA 37 H ALA 37 -3.937 -3.846 3.592 243 HA ALA 37 HA ALA 37 -5.093 -3.229 1.027 244 1HB ALA 37 1HB ALA 37 -2.263 -2.939 1.481 245 2HB ALA 37 2HB ALA 37 -2.537 -4.336 0.412 246 3HB ALA 37 3HB ALA 37 -3.177 -2.736 -0.034 247 H GLU 38 H GLU 38 -5.846 -5.098 0.010 248 HA GLU 38 HA GLU 38 -5.128 -7.575 1.374 249 2HB GLU 38 2HB GLU 38 -7.720 -7.957 0.346 250 2HG GLU 38 2HG GLU 38 -6.647 -7.330 3.126 251 HE2 GLU 38 HE2 GLU 38 -8.569 -9.269 4.075 252 HA PRO 39 HA PRO 39 -4.141 -8.552 -2.794 253 2HB PRO 39 2HB PRO 39 -2.038 -9.303 -2.230 254 2HG PRO 39 2HG PRO 39 -1.730 -9.704 0.020 255 2HD PRO 39 2HD PRO 39 -3.343 -8.325 0.904 256 H THR 40 H THR 40 -6.705 -8.749 -2.495 257 HA THR 40 HA THR 40 -7.784 -11.289 -2.306 258 HB THR 40 HB THR 40 -9.242 -9.392 -2.216 259 HG1 THR 40 HG1 THR 40 -10.537 -10.644 -3.503 260 1HG2 THR 40 1HG2 THR 40 -7.527 -8.389 -4.371 261 2HG2 THR 40 2HG2 THR 40 -9.242 -8.302 -4.841 262 3HG2 THR 40 3HG2 THR 40 -8.683 -7.491 -3.358 263 H GLY 41 H GLY 41 -8.017 -13.040 -3.599 264 1HA GLY 41 1HA GLY 41 -7.555 -14.441 -5.297 265 2HA GLY 41 2HA GLY 41 -7.978 -13.106 -6.351 266 H GLY 42 H GLY 42 -6.416 -12.359 -7.723 267 1HA GLY 42 1HA GLY 42 -3.636 -13.161 -7.148 268 2HA GLY 42 2HA GLY 42 -4.321 -12.844 -8.730 269 H LYS 43 H LYS 43 -5.386 -10.478 -8.882 270 HA LYS 43 HA LYS 43 -3.245 -8.688 -8.542 271 2HB LYS 43 2HB LYS 43 -5.387 -7.088 -9.066 272 2HG LYS 43 2HG LYS 43 -3.401 -8.635 -10.638 273 2HD LYS 43 2HD LYS 43 -6.093 -8.503 -11.636 274 2HE LYS 43 2HE LYS 43 -4.992 -6.094 -12.260 275 1HZ LYS 43 1HZ LYS 43 -4.363 -6.673 -14.758 276 2HZ LYS 43 2HZ LYS 43 -3.221 -6.617 -13.600 277 H GLY 44 H GLY 44 -2.770 -7.191 -6.968 278 1HA GLY 44 1HA GLY 44 -4.240 -7.471 -4.468 279 2HA GLY 44 2HA GLY 44 -2.703 -6.668 -4.725 280 H ASN 45 H ASN 45 -5.457 -5.857 -3.492 281 HA ASN 45 HA ASN 45 -5.693 -3.404 -5.053 282 2HB ASN 45 2HB ASN 45 -8.002 -3.952 -3.323 283 1HD2 ASN 45 1HD2 ASN 45 -8.698 -5.236 -6.249 284 2HD2 ASN 45 2HD2 ASN 45 -9.166 -3.828 -7.143 285 H ILE 46 H ILE 46 -5.356 -1.498 -3.849 286 HA ILE 46 HA ILE 46 -4.645 -1.843 -1.070 287 HB ILE 46 HB ILE 46 -4.487 0.493 -2.974 288 2HG1 ILE 46 2HG1 ILE 46 -2.662 -1.709 -2.197 289 1HG2 ILE 46 1HG2 ILE 46 -2.878 0.760 -0.585 290 2HG2 ILE 46 2HG2 ILE 46 -4.060 1.884 -1.297 291 3HG2 ILE 46 3HG2 ILE 46 -4.605 0.613 -0.176 292 1HD1 ILE 46 1HD1 ILE 46 -3.709 -0.615 -4.553 293 2HD1 ILE 46 2HD1 ILE 46 -2.036 -0.009 -4.516 294 3HD1 ILE 46 3HD1 ILE 46 -2.350 -1.760 -4.447 295 H LYS 47 H LYS 47 -6.001 -1.514 0.608 296 HA LYS 47 HA LYS 47 -8.560 -0.246 -0.010 297 2HB LYS 47 2HB LYS 47 -9.494 -1.491 1.711 298 2HG LYS 47 2HG LYS 47 -7.334 -3.503 1.306 299 2HD LYS 47 2HD LYS 47 -10.111 -3.486 1.768 300 2HE LYS 47 2HE LYS 47 -10.117 -5.100 -0.639 301 1HZ LYS 47 1HZ LYS 47 -11.817 -2.902 -0.828 302 2HZ LYS 47 2HZ LYS 47 -12.220 -4.408 -0.357 303 H ALA 48 H ALA 48 -6.332 1.484 0.058 304 HA ALA 48 HA ALA 48 -7.093 3.088 2.359 305 1HB ALA 48 1HB ALA 48 -4.800 3.462 3.047 306 2HB ALA 48 2HB ALA 48 -5.095 1.707 3.024 307 3HB ALA 48 3HB ALA 48 -4.186 2.475 1.699 308 H GLU 49 H GLU 49 -6.150 5.379 2.095 309 HA GLU 49 HA GLU 49 -6.734 6.177 -0.548 310 2HB GLU 49 2HB GLU 49 -5.911 7.609 1.991 311 2HG GLU 49 2HG GLU 49 -5.883 8.636 -0.835 312 HE2 GLU 49 HE2 GLU 49 -6.643 11.869 0.905 313 H ILE 50 H ILE 50 -5.291 5.881 -2.196 314 HA ILE 50 HA ILE 50 -2.502 5.683 -1.679 315 HB ILE 50 HB ILE 50 -4.097 5.821 -4.239 316 2HG1 ILE 50 2HG1 ILE 50 -4.756 3.836 -3.276 317 1HG2 ILE 50 1HG2 ILE 50 -1.696 6.569 -4.443 318 2HG2 ILE 50 2HG2 ILE 50 -1.223 4.931 -3.933 319 3HG2 ILE 50 3HG2 ILE 50 -2.155 5.162 -5.431 320 1HD1 ILE 50 1HD1 ILE 50 -3.723 2.091 -4.484 321 2HD1 ILE 50 2HD1 ILE 50 -3.311 3.528 -5.450 322 3HD1 ILE 50 3HD1 ILE 50 -2.107 2.823 -4.345 323 H ILE 51 H ILE 51 -0.995 7.267 -1.594 324 HA ILE 51 HA ILE 51 -1.888 9.971 -1.980 325 HB ILE 51 HB ILE 51 0.826 8.890 -1.214 326 2HG1 ILE 51 2HG1 ILE 51 0.171 8.666 0.930 327 1HG2 ILE 51 1HG2 ILE 51 0.951 11.169 -2.029 328 2HG2 ILE 51 2HG2 ILE 51 -0.382 11.657 -0.954 329 3HG2 ILE 51 3HG2 ILE 51 1.174 11.139 -0.262 330 1HD1 ILE 51 1HD1 ILE 51 -1.598 10.088 2.003 331 2HD1 ILE 51 2HD1 ILE 51 -0.274 11.052 1.306 332 3HD1 ILE 51 3HD1 ILE 51 -1.828 10.923 0.448 333 H GLU 52 H GLU 52 1.176 8.404 -3.111 334 HA GLU 52 HA GLU 52 0.539 8.792 -5.813 335 2HB GLU 52 2HB GLU 52 2.831 10.580 -5.155 336 2HG GLU 52 2HG GLU 52 0.417 11.290 -6.827 337 HE2 GLU 52 HE2 GLU 52 3.524 10.841 -8.179 338 H TYR 53 H TYR 53 3.048 8.893 -6.995 339 HA TYR 53 HA TYR 53 4.068 6.330 -6.323 340 2HB TYR 53 2HB TYR 53 5.847 7.316 -8.072 341 HD1 TYR 53 HD1 TYR 53 2.211 8.073 -8.619 342 HD2 TYR 53 HD2 TYR 53 5.546 5.572 -9.582 343 HE1 TYR 53 HE1 TYR 53 0.808 6.860 -10.358 344 HE2 TYR 53 HE2 TYR 53 4.131 4.367 -11.318 345 HH TYR 53 HH TYR 53 2.141 4.915 -12.709 346 H VAL 54 H VAL 54 6.041 5.739 -5.370 347 HA VAL 54 HA VAL 54 7.159 7.791 -3.652 348 HB VAL 54 HB VAL 54 8.341 5.142 -3.496 349 1HG1 VAL 54 1HG1 VAL 54 8.627 6.497 -1.625 350 2HG1 VAL 54 2HG1 VAL 54 6.944 7.075 -1.657 351 3HG1 VAL 54 3HG1 VAL 54 7.305 5.418 -1.119 352 1HG2 VAL 54 1HG2 VAL 54 6.363 4.160 -4.274 353 2HG2 VAL 54 2HG2 VAL 54 6.167 4.148 -2.505 354 3HG2 VAL 54 3HG2 VAL 54 5.332 5.377 -3.485 355 H ASP 55 H ASP 55 9.522 8.094 -3.493 356 HA ASP 55 HA ASP 55 10.618 8.136 -6.139 357 2HB ASP 55 2HB ASP 55 11.430 9.255 -3.437 358 HD2 ASP 55 HD2 ASP 55 14.078 10.983 -4.923 359 H GLN 56 H GLN 56 12.413 7.622 -3.042 360 HA GLN 56 HA GLN 56 14.349 6.067 -3.885 361 2HB GLN 56 2HB GLN 56 13.539 4.839 -1.437 362 2HG GLN 56 2HG GLN 56 15.163 7.328 -1.289 363 1HE2 GLN 56 1HE2 GLN 56 17.593 5.938 -1.109 364 2HE2 GLN 56 2HE2 GLN 56 17.574 4.918 0.292 365 H ILE 57 H ILE 57 14.014 4.562 -5.534 366 HA ILE 57 HA ILE 57 11.860 2.743 -5.498 367 HB ILE 57 HB ILE 57 14.449 2.597 -7.043 368 2HG1 ILE 57 2HG1 ILE 57 13.482 4.789 -7.365 369 1HG2 ILE 57 1HG2 ILE 57 12.831 1.491 -8.722 370 2HG2 ILE 57 2HG2 ILE 57 13.399 0.539 -7.329 371 3HG2 ILE 57 3HG2 ILE 57 11.769 1.252 -7.313 372 1HD1 ILE 57 1HD1 ILE 57 12.508 3.186 -9.745 373 2HD1 ILE 57 2HD1 ILE 57 13.327 4.766 -9.721 374 3HD1 ILE 57 3HD1 ILE 57 14.246 3.281 -9.376 375 H GLU 58 H GLU 58 12.362 0.252 -5.676 376 HA GLU 58 HA GLU 58 13.774 -0.358 -3.230 377 2HB GLU 58 2HB GLU 58 12.454 -2.613 -4.576 378 2HG GLU 58 2HG GLU 58 13.108 -2.296 -2.086 379 HE2 GLU 58 HE2 GLU 58 9.698 -0.310 -1.753 Start of MODEL 16 1 1H MET 1 1H MET 1 6.520 -2.191 -16.109 2 HA MET 1 HA MET 1 5.008 -4.551 -15.844 3 2HB MET 1 2HB MET 1 7.942 -4.420 -16.668 4 2HG MET 1 2HG MET 1 5.944 -5.771 -18.390 5 1HE MET 1 1HE MET 1 7.446 -6.263 -20.174 6 2HE MET 1 2HE MET 1 8.630 -7.588 -20.071 7 3HE MET 1 3HE MET 1 6.927 -7.880 -19.642 8 H HIS 2 H HIS 2 8.147 -3.389 -14.457 9 HA HIS 2 HA HIS 2 8.312 -5.773 -12.839 10 2HB HIS 2 2HB HIS 2 10.283 -4.687 -13.986 11 HD1 HIS 2 HD1 HIS 2 10.245 -2.977 -10.572 12 HD2 HIS 2 HD2 HIS 2 10.718 -2.039 -14.632 13 HE1 HIS 2 HE1 HIS 2 10.947 -0.525 -10.662 14 H SER 3 H SER 3 8.022 -5.872 -10.595 15 HA SER 3 HA SER 3 6.089 -4.515 -9.444 16 2HB SER 3 2HB SER 3 8.590 -5.770 -8.337 17 HG SER 3 HG SER 3 8.428 -4.519 -6.589 18 H ARG 4 H ARG 4 5.724 -2.322 -9.370 19 HA ARG 4 HA ARG 4 8.023 -0.615 -9.037 20 2HB ARG 4 2HB ARG 4 5.477 0.806 -9.227 21 2HG ARG 4 2HG ARG 4 7.370 0.560 -11.549 22 2HD ARG 4 2HD ARG 4 6.917 3.209 -10.381 23 HE ARG 4 HE ARG 4 5.738 2.546 -12.968 24 1HH1 ARG 4 1HH1 ARG 4 8.800 3.176 -11.299 25 2HH1 ARG 4 2HH1 ARG 4 9.627 3.668 -12.739 26 2HH2 ARG 4 2HH2 ARG 4 8.448 3.672 -14.827 27 H PHE 5 H PHE 5 7.505 1.475 -7.595 28 HA PHE 5 HA PHE 5 6.437 0.439 -5.074 29 2HB PHE 5 2HB PHE 5 8.703 1.174 -4.799 30 HD1 PHE 5 HD1 PHE 5 7.298 4.333 -6.192 31 HD2 PHE 5 HD2 PHE 5 10.353 1.397 -6.413 32 HE1 PHE 5 HE1 PHE 5 8.495 5.708 -7.918 33 HE2 PHE 5 HE2 PHE 5 11.550 2.771 -8.138 34 HZ PHE 5 HZ PHE 5 10.607 4.910 -8.871 35 H VAL 6 H VAL 6 4.902 1.622 -3.869 36 HA VAL 6 HA VAL 6 3.965 4.124 -5.012 37 HB VAL 6 HB VAL 6 1.846 3.456 -5.496 38 1HG1 VAL 6 1HG1 VAL 6 3.179 0.770 -5.920 39 2HG1 VAL 6 2HG1 VAL 6 1.915 1.549 -6.901 40 3HG1 VAL 6 3HG1 VAL 6 3.570 2.203 -6.900 41 1HG2 VAL 6 1HG2 VAL 6 2.249 1.249 -3.471 42 2HG2 VAL 6 2HG2 VAL 6 1.083 2.593 -3.444 43 3HG2 VAL 6 3HG2 VAL 6 0.870 1.252 -4.595 44 H LYS 7 H LYS 7 3.467 5.572 -3.419 45 HA LYS 7 HA LYS 7 3.636 4.561 -0.697 46 2HB LYS 7 2HB LYS 7 4.111 7.176 -2.049 47 2HG LYS 7 2HG LYS 7 3.241 6.840 0.859 48 2HD LYS 7 2HD LYS 7 3.774 9.350 0.944 49 2HE LYS 7 2HE LYS 7 6.192 7.542 0.481 50 1HZ LYS 7 1HZ LYS 7 5.809 9.824 2.341 51 2HZ LYS 7 2HZ LYS 7 7.199 9.018 2.073 52 H VAL 8 H VAL 8 1.847 4.142 0.474 53 HA VAL 8 HA VAL 8 -0.615 5.515 -0.362 54 HB VAL 8 HB VAL 8 -1.732 3.453 0.624 55 1HG1 VAL 8 1HG1 VAL 8 -0.164 2.590 -1.765 56 2HG1 VAL 8 2HG1 VAL 8 -1.918 2.554 -1.469 57 3HG1 VAL 8 3HG1 VAL 8 -1.120 4.085 -1.904 58 1HG2 VAL 8 1HG2 VAL 8 0.764 2.787 1.491 59 2HG2 VAL 8 2HG2 VAL 8 -0.567 1.626 1.267 60 3HG2 VAL 8 3HG2 VAL 8 0.661 1.829 -0.005 61 H LYS 9 H LYS 9 -2.258 5.626 1.523 62 HA LYS 9 HA LYS 9 -0.846 5.958 4.065 63 2HB LYS 9 2HB LYS 9 -2.378 8.039 2.532 64 2HG LYS 9 2HG LYS 9 -1.931 8.029 5.553 65 2HD LYS 9 2HD LYS 9 -3.477 9.962 3.765 66 2HE LYS 9 2HE LYS 9 -2.598 10.905 6.397 67 1HZ LYS 9 1HZ LYS 9 -4.756 11.753 6.398 68 2HZ LYS 9 2HZ LYS 9 -4.466 11.678 4.797 69 H CYS 10 H CYS 10 -1.991 5.259 5.844 70 HA CYS 10 HA CYS 10 -4.248 3.648 5.312 71 2HB CYS 10 2HB CYS 10 -3.536 4.457 8.108 72 HG CYS 10 HG CYS 10 -3.488 1.659 8.354 73 HA PRO 11 HA PRO 11 -7.178 6.867 5.802 74 2HB PRO 11 2HB PRO 11 -8.568 5.946 4.216 75 2HG PRO 11 2HG PRO 11 -8.161 3.723 3.751 76 2HD PRO 11 2HD PRO 11 -5.956 3.573 4.381 77 H ASP 12 H ASP 12 -7.338 3.977 7.751 78 HA ASP 12 HA ASP 12 -8.934 5.341 9.686 79 2HB ASP 12 2HB ASP 12 -7.877 3.005 10.863 80 HD2 ASP 12 HD2 ASP 12 -10.242 4.211 11.462 81 H CYS 13 H CYS 13 -5.554 4.123 9.245 82 HA CYS 13 HA CYS 13 -4.721 4.948 11.831 83 2HB CYS 13 2HB CYS 13 -2.587 4.606 9.850 84 HG CYS 13 HG CYS 13 -1.324 3.622 11.610 85 H GLU 14 H GLU 14 -4.924 6.321 8.550 86 HA GLU 14 HA GLU 14 -4.683 8.349 7.804 87 2HB GLU 14 2HB GLU 14 -4.552 10.295 9.379 88 2HG GLU 14 2HG GLU 14 -6.507 8.334 10.598 89 HE2 GLU 14 HE2 GLU 14 -8.692 9.734 10.546 90 H HIS 15 H HIS 15 -2.329 6.461 8.946 91 HA HIS 15 HA HIS 15 -0.205 8.445 8.769 92 2HB HIS 15 2HB HIS 15 -0.025 5.508 9.493 93 HD1 HIS 15 HD1 HIS 15 1.715 8.843 10.311 94 HD2 HIS 15 HD2 HIS 15 2.611 4.851 9.382 95 HE1 HIS 15 HE1 HIS 15 4.260 8.649 10.364 96 H GLU 16 H GLU 16 1.589 8.150 7.276 97 HA GLU 16 HA GLU 16 0.638 7.012 4.816 98 2HB GLU 16 2HB GLU 16 2.770 8.084 3.899 99 2HG GLU 16 2HG GLU 16 0.639 9.654 5.390 100 HE2 GLU 16 HE2 GLU 16 2.196 12.504 5.397 101 H GLN 17 H GLN 17 1.558 5.241 3.727 102 HA GLN 17 HA GLN 17 3.897 4.053 4.938 103 2HB GLN 17 2HB GLN 17 2.253 1.832 4.394 104 2HG GLN 17 2HG GLN 17 2.040 2.123 7.111 105 1HE2 GLN 17 1HE2 GLN 17 2.188 -0.052 6.158 106 2HE2 GLN 17 2HE2 GLN 17 3.730 -0.839 6.083 107 H VAL 18 H VAL 18 4.871 2.334 3.496 108 HA VAL 18 HA VAL 18 4.110 2.840 0.701 109 HB VAL 18 HB VAL 18 6.840 2.301 1.888 110 1HG1 VAL 18 1HG1 VAL 18 7.553 2.982 -0.496 111 2HG1 VAL 18 2HG1 VAL 18 6.898 1.344 -0.256 112 3HG1 VAL 18 3HG1 VAL 18 5.872 2.619 -0.956 113 1HG2 VAL 18 1HG2 VAL 18 7.315 4.639 1.067 114 2HG2 VAL 18 2HG2 VAL 18 5.566 4.829 0.802 115 3HG2 VAL 18 3HG2 VAL 18 6.190 4.537 2.443 116 H ILE 19 H ILE 19 3.235 1.095 -0.274 117 HA ILE 19 HA ILE 19 4.297 -1.523 0.468 118 HB ILE 19 HB ILE 19 2.028 -2.451 0.517 119 2HG1 ILE 19 2HG1 ILE 19 1.285 0.027 -0.593 120 1HG2 ILE 19 1HG2 ILE 19 1.348 -1.272 2.724 121 2HG2 ILE 19 2HG2 ILE 19 2.901 -2.138 2.642 122 3HG2 ILE 19 3HG2 ILE 19 2.865 -0.364 2.513 123 1HD1 ILE 19 1HD1 ILE 19 -0.189 -2.422 0.435 124 2HD1 ILE 19 2HD1 ILE 19 -1.067 -1.052 -0.288 125 3HD1 ILE 19 3HD1 ILE 19 0.135 -1.946 -1.249 126 H PHE 20 H PHE 20 3.543 -3.223 -1.202 127 HA PHE 20 HA PHE 20 4.190 -2.167 -3.761 128 2HB PHE 20 2HB PHE 20 3.944 -4.599 -4.370 129 HD1 PHE 20 HD1 PHE 20 6.263 -3.066 -3.644 130 HD2 PHE 20 HD2 PHE 20 4.411 -6.240 -1.522 131 HE1 PHE 20 HE1 PHE 20 8.448 -3.594 -2.529 132 HE2 PHE 20 HE2 PHE 20 6.597 -6.768 -0.406 133 HZ PHE 20 HZ PHE 20 8.589 -5.439 -0.923 134 H ASP 21 H ASP 21 2.893 -2.307 -5.715 135 HA ASP 21 HA ASP 21 0.140 -1.767 -5.120 136 2HB ASP 21 2HB ASP 21 1.620 -0.429 -6.751 137 HD2 ASP 21 HD2 ASP 21 -0.109 -2.291 -8.968 138 H HIS 22 H HIS 22 1.523 -4.560 -5.038 139 HA HIS 22 HA HIS 22 -0.603 -6.038 -6.021 140 2HB HIS 22 2HB HIS 22 -0.035 -5.726 -8.243 141 HD1 HIS 22 HD1 HIS 22 1.638 -5.199 -10.149 142 HD2 HIS 22 HD2 HIS 22 3.442 -5.735 -6.401 143 HE1 HIS 22 HE1 HIS 22 4.047 -4.395 -10.395 144 HA PRO 23 HA PRO 23 2.421 -7.910 -3.159 145 2HB PRO 23 2HB PRO 23 2.100 -6.639 -1.265 146 2HG PRO 23 2HG PRO 23 0.318 -5.179 -1.376 147 2HD PRO 23 2HD PRO 23 0.142 -4.922 -3.654 148 H SER 24 H SER 24 2.252 -9.958 -1.801 149 HA SER 24 HA SER 24 0.191 -11.535 -3.129 150 2HB SER 24 2HB SER 24 1.799 -13.486 -2.486 151 HG SER 24 HG SER 24 1.920 -11.645 -4.564 152 H THR 25 H THR 25 1.740 -10.602 -0.062 153 HA THR 25 HA THR 25 -0.125 -12.355 1.388 154 HB THR 25 HB THR 25 1.645 -11.491 3.266 155 HG1 THR 25 HG1 THR 25 3.695 -11.250 2.078 156 1HG2 THR 25 1HG2 THR 25 1.779 -13.734 1.254 157 2HG2 THR 25 2HG2 THR 25 3.248 -13.395 2.200 158 3HG2 THR 25 3HG2 THR 25 1.731 -13.818 3.030 159 H ILE 26 H ILE 26 -1.038 -11.443 3.441 160 HA ILE 26 HA ILE 26 -2.436 -9.092 2.815 161 HB ILE 26 HB ILE 26 -2.116 -10.538 5.448 162 2HG1 ILE 26 2HG1 ILE 26 -2.940 -11.909 3.489 163 1HG2 ILE 26 1HG2 ILE 26 -4.601 -9.415 5.476 164 2HG2 ILE 26 2HG2 ILE 26 -3.156 -8.719 6.249 165 3HG2 ILE 26 3HG2 ILE 26 -3.656 -8.163 4.634 166 1HD1 ILE 26 1HD1 ILE 26 -3.664 -12.902 5.446 167 2HD1 ILE 26 2HD1 ILE 26 -4.399 -11.401 6.057 168 3HD1 ILE 26 3HD1 ILE 26 -5.247 -12.371 4.831 169 H VAL 27 H VAL 27 -2.186 -6.953 3.455 170 HA VAL 27 HA VAL 27 0.427 -6.373 4.650 171 HB VAL 27 HB VAL 27 -1.407 -4.671 2.952 172 1HG1 VAL 27 1HG1 VAL 27 1.457 -4.038 3.677 173 2HG1 VAL 27 2HG1 VAL 27 0.210 -2.964 3.003 174 3HG1 VAL 27 3HG1 VAL 27 0.093 -3.510 4.692 175 1HG2 VAL 27 1HG2 VAL 27 1.308 -5.681 2.122 176 2HG2 VAL 27 2HG2 VAL 27 -0.142 -6.691 1.909 177 3HG2 VAL 27 3HG2 VAL 27 -0.040 -5.102 1.114 178 H LYS 28 H LYS 28 0.370 -5.940 6.790 179 HA LYS 28 HA LYS 28 -2.103 -4.761 7.834 180 2HB LYS 28 2HB LYS 28 -0.838 -5.572 10.052 181 2HG LYS 28 2HG LYS 28 -2.751 -6.831 8.148 182 2HD LYS 28 2HD LYS 28 -1.650 -8.509 10.435 183 2HE LYS 28 2HE LYS 28 -2.744 -10.016 8.255 184 1HZ LYS 28 1HZ LYS 28 -4.296 -10.672 9.972 185 2HZ LYS 28 2HZ LYS 28 -2.833 -10.528 10.671 186 H CYS 29 H CYS 29 -2.059 -2.828 8.994 187 HA CYS 29 HA CYS 29 -0.084 -1.021 8.305 188 2HB CYS 29 2HB CYS 29 -1.715 -0.598 10.789 189 HG CYS 29 HG CYS 29 -1.412 1.741 10.512 190 H ILE 30 H ILE 30 1.984 -0.763 9.083 191 HA ILE 30 HA ILE 30 2.982 -2.450 11.088 192 HB ILE 30 HB ILE 30 5.012 -1.036 10.882 193 2HG1 ILE 30 2HG1 ILE 30 3.268 0.952 10.077 194 1HG2 ILE 30 1HG2 ILE 30 4.633 -1.431 8.085 195 2HG2 ILE 30 2HG2 ILE 30 5.508 -2.452 9.252 196 3HG2 ILE 30 3HG2 ILE 30 3.776 -2.728 8.954 197 1HD1 ILE 30 1HD1 ILE 30 5.247 1.767 10.945 198 2HD1 ILE 30 2HD1 ILE 30 6.234 0.525 10.139 199 3HD1 ILE 30 3HD1 ILE 30 5.647 1.930 9.218 200 H ILE 31 H ILE 31 0.994 0.305 11.288 201 HA ILE 31 HA ILE 31 2.116 1.407 13.667 202 HB ILE 31 HB ILE 31 -0.558 1.773 12.313 203 2HG1 ILE 31 2HG1 ILE 31 0.727 4.091 11.923 204 1HG2 ILE 31 1HG2 ILE 31 0.603 2.944 14.805 205 2HG2 ILE 31 2HG2 ILE 31 -0.362 3.991 13.736 206 3HG2 ILE 31 3HG2 ILE 31 -1.078 2.509 14.413 207 1HD1 ILE 31 1HD1 ILE 31 2.917 1.977 11.738 208 2HD1 ILE 31 2HD1 ILE 31 3.060 3.711 11.362 209 3HD1 ILE 31 3HD1 ILE 31 2.816 3.182 13.044 210 H CYS 32 H CYS 32 -1.244 0.133 13.280 211 HA CYS 32 HA CYS 32 -0.948 -1.020 15.935 212 2HB CYS 32 2HB CYS 32 -2.887 0.575 15.153 213 HG CYS 32 HG CYS 32 -3.767 -0.341 13.026 214 H GLY 33 H GLY 33 -1.814 -1.753 12.510 215 1HA GLY 33 1HA GLY 33 -0.894 -3.905 11.728 216 2HA GLY 33 2HA GLY 33 -1.601 -4.633 13.156 217 H ARG 34 H ARG 34 -3.157 -1.999 11.283 218 HA ARG 34 HA ARG 34 -5.386 -3.757 10.886 219 2HB ARG 34 2HB ARG 34 -5.183 -1.062 11.472 220 2HG ARG 34 2HG ARG 34 -6.144 -1.205 8.585 221 2HD ARG 34 2HD ARG 34 -6.409 1.103 8.738 222 HE ARG 34 HE ARG 34 -6.675 0.976 11.639 223 1HH1 ARG 34 1HH1 ARG 34 -8.110 -0.129 8.594 224 2HH1 ARG 34 2HH1 ARG 34 -9.684 -0.364 9.277 225 2HH2 ARG 34 2HH2 ARG 34 -10.038 0.109 11.600 226 H THR 35 H THR 35 -6.271 -4.299 8.795 227 HA THR 35 HA THR 35 -4.372 -4.667 6.758 228 HB THR 35 HB THR 35 -7.436 -4.782 6.755 229 HG1 THR 35 HG1 THR 35 -6.326 -6.167 8.315 230 1HG2 THR 35 1HG2 THR 35 -5.723 -6.601 5.091 231 2HG2 THR 35 2HG2 THR 35 -7.331 -5.924 4.734 232 3HG2 THR 35 3HG2 THR 35 -5.875 -4.926 4.507 233 H VAL 36 H VAL 36 -3.607 -3.395 5.190 234 HA VAL 36 HA VAL 36 -5.117 -0.924 4.684 235 HB VAL 36 HB VAL 36 -2.815 -0.105 3.921 236 1HG1 VAL 36 1HG1 VAL 36 -2.895 1.042 5.833 237 2HG1 VAL 36 2HG1 VAL 36 -4.122 -0.105 6.423 238 3HG1 VAL 36 3HG1 VAL 36 -2.399 -0.391 6.766 239 1HG2 VAL 36 1HG2 VAL 36 -0.863 -1.186 4.720 240 2HG2 VAL 36 2HG2 VAL 36 -1.802 -2.309 5.732 241 3HG2 VAL 36 3HG2 VAL 36 -1.842 -2.463 3.960 242 H ALA 37 H ALA 37 -3.875 -3.929 3.436 243 HA ALA 37 HA ALA 37 -5.082 -3.374 0.898 244 1HB ALA 37 1HB ALA 37 -2.151 -3.175 1.297 245 2HB ALA 37 2HB ALA 37 -2.655 -4.221 -0.053 246 3HB ALA 37 3HB ALA 37 -3.177 -2.519 -0.001 247 H GLU 38 H GLU 38 -5.739 -5.290 -0.093 248 HA GLU 38 HA GLU 38 -4.887 -7.696 1.321 249 2HB GLU 38 2HB GLU 38 -7.390 -8.164 0.014 250 2HG GLU 38 2HG GLU 38 -7.320 -7.564 2.947 251 HE2 GLU 38 HE2 GLU 38 -9.627 -10.132 3.116 252 HA PRO 39 HA PRO 39 -3.575 -9.037 -2.603 253 2HB PRO 39 2HB PRO 39 -1.955 -10.383 -1.675 254 2HG PRO 39 2HG PRO 39 -2.305 -10.925 0.539 255 2HD PRO 39 2HD PRO 39 -3.637 -9.166 1.184 256 H THR 40 H THR 40 -6.440 -9.922 -1.176 257 HA THR 40 HA THR 40 -8.191 -11.168 -1.892 258 HB THR 40 HB THR 40 -9.029 -10.157 -4.084 259 HG1 THR 40 HG1 THR 40 -6.518 -8.685 -3.809 260 1HG2 THR 40 1HG2 THR 40 -8.377 -8.755 -1.632 261 2HG2 THR 40 2HG2 THR 40 -8.038 -7.676 -3.008 262 3HG2 THR 40 3HG2 THR 40 -9.663 -8.376 -2.805 263 H GLY 41 H GLY 41 -6.173 -12.929 -1.897 264 1HA GLY 41 1HA GLY 41 -5.738 -14.980 -2.735 265 2HA GLY 41 2HA GLY 41 -6.942 -14.719 -3.981 266 H GLY 42 H GLY 42 -6.259 -12.999 -5.738 267 1HA GLY 42 1HA GLY 42 -3.501 -13.676 -6.533 268 2HA GLY 42 2HA GLY 42 -4.823 -13.271 -7.610 269 H LYS 43 H LYS 43 -4.813 -11.231 -8.441 270 HA LYS 43 HA LYS 43 -2.900 -9.368 -7.812 271 2HB LYS 43 2HB LYS 43 -5.137 -7.963 -8.814 272 2HG LYS 43 2HG LYS 43 -3.202 -9.343 -10.656 273 2HD LYS 43 2HD LYS 43 -3.900 -6.397 -10.263 274 2HE LYS 43 2HE LYS 43 -3.279 -7.119 -12.968 275 1HZ LYS 43 1HZ LYS 43 -1.470 -5.721 -11.093 276 2HZ LYS 43 2HZ LYS 43 -1.675 -5.435 -12.683 277 H GLY 44 H GLY 44 -2.542 -8.096 -6.079 278 1HA GLY 44 1HA GLY 44 -4.514 -7.962 -3.984 279 2HA GLY 44 2HA GLY 44 -2.901 -7.275 -3.989 280 H ASN 45 H ASN 45 -5.482 -6.030 -3.143 281 HA ASN 45 HA ASN 45 -5.445 -3.830 -5.057 282 2HB ASN 45 2HB ASN 45 -7.863 -4.039 -3.345 283 1HD2 ASN 45 1HD2 ASN 45 -9.562 -4.763 -5.455 284 2HD2 ASN 45 2HD2 ASN 45 -9.535 -3.528 -6.671 285 H ILE 46 H ILE 46 -5.223 -1.734 -4.103 286 HA ILE 46 HA ILE 46 -4.442 -1.736 -1.329 287 HB ILE 46 HB ILE 46 -4.488 0.453 -3.409 288 2HG1 ILE 46 2HG1 ILE 46 -2.920 -1.047 -4.218 289 1HG2 ILE 46 1HG2 ILE 46 -2.674 0.731 -1.124 290 2HG2 ILE 46 2HG2 ILE 46 -3.753 1.919 -1.893 291 3HG2 ILE 46 3HG2 ILE 46 -4.397 0.783 -0.683 292 1HD1 ILE 46 1HD1 ILE 46 -1.016 0.186 -2.253 293 2HD1 ILE 46 2HD1 ILE 46 -0.910 0.083 -4.027 294 3HD1 ILE 46 3HD1 ILE 46 -1.968 1.296 -3.268 295 H LYS 47 H LYS 47 -5.943 -1.609 0.247 296 HA LYS 47 HA LYS 47 -8.465 -0.299 -0.387 297 2HB LYS 47 2HB LYS 47 -9.403 -1.511 1.367 298 2HG LYS 47 2HG LYS 47 -7.300 -3.566 0.959 299 2HD LYS 47 2HD LYS 47 -10.057 -3.500 1.406 300 2HE LYS 47 2HE LYS 47 -9.603 -3.416 -1.459 301 1HZ LYS 47 1HZ LYS 47 -11.253 -5.729 -0.858 302 2HZ LYS 47 2HZ LYS 47 -10.271 -5.472 -2.131 303 H ALA 48 H ALA 48 -6.187 1.407 -0.291 304 HA ALA 48 HA ALA 48 -7.013 3.071 1.943 305 1HB ALA 48 1HB ALA 48 -4.083 2.446 1.426 306 2HB ALA 48 2HB ALA 48 -4.775 3.398 2.762 307 3HB ALA 48 3HB ALA 48 -5.051 1.641 2.684 308 H GLU 49 H GLU 49 -6.158 5.348 1.658 309 HA GLU 49 HA GLU 49 -6.510 6.054 -1.053 310 2HB GLU 49 2HB GLU 49 -5.736 7.750 1.362 311 2HG GLU 49 2HG GLU 49 -6.621 8.433 -1.466 312 HE2 GLU 49 HE2 GLU 49 -7.006 11.795 0.004 313 H ILE 50 H ILE 50 -4.959 6.166 -2.616 314 HA ILE 50 HA ILE 50 -2.199 5.937 -1.810 315 HB ILE 50 HB ILE 50 -3.482 6.038 -4.543 316 2HG1 ILE 50 2HG1 ILE 50 -4.349 4.100 -3.616 317 1HG2 ILE 50 1HG2 ILE 50 -1.436 5.420 -5.475 318 2HG2 ILE 50 2HG2 ILE 50 -0.998 6.670 -4.287 319 3HG2 ILE 50 3HG2 ILE 50 -0.747 4.951 -3.902 320 1HD1 ILE 50 1HD1 ILE 50 -3.322 2.340 -4.775 321 2HD1 ILE 50 2HD1 ILE 50 -2.659 3.752 -5.633 322 3HD1 ILE 50 3HD1 ILE 50 -1.680 2.918 -4.402 323 H ILE 51 H ILE 51 -0.533 7.450 -2.320 324 HA ILE 51 HA ILE 51 -1.591 10.163 -2.663 325 HB ILE 51 HB ILE 51 0.694 8.995 -1.137 326 2HG1 ILE 51 2HG1 ILE 51 -1.551 10.938 -0.583 327 1HG2 ILE 51 1HG2 ILE 51 0.587 11.869 -2.095 328 2HG2 ILE 51 2HG2 ILE 51 1.733 11.198 -0.910 329 3HG2 ILE 51 3HG2 ILE 51 1.765 10.634 -2.598 330 1HD1 ILE 51 1HD1 ILE 51 -0.961 8.862 1.379 331 2HD1 ILE 51 2HD1 ILE 51 -2.471 9.166 0.488 332 3HD1 ILE 51 3HD1 ILE 51 -1.201 8.148 -0.233 333 H GLU 52 H GLU 52 1.184 8.004 -3.564 334 HA GLU 52 HA GLU 52 1.059 8.409 -6.210 335 2HB GLU 52 2HB GLU 52 3.277 10.166 -5.961 336 2HG GLU 52 2HG GLU 52 0.395 10.497 -6.886 337 HE2 GLU 52 HE2 GLU 52 0.822 13.818 -7.700 338 H TYR 53 H TYR 53 3.742 8.527 -7.053 339 HA TYR 53 HA TYR 53 4.686 6.027 -6.046 340 2HB TYR 53 2HB TYR 53 6.568 6.696 -7.726 341 HD1 TYR 53 HD1 TYR 53 5.218 4.528 -8.250 342 HD2 TYR 53 HD2 TYR 53 4.055 8.428 -9.569 343 HE1 TYR 53 HE1 TYR 53 3.778 3.490 -10.071 344 HE2 TYR 53 HE2 TYR 53 2.618 7.378 -11.385 345 HH TYR 53 HH TYR 53 1.461 4.652 -11.412 346 H VAL 54 H VAL 54 6.640 5.587 -4.926 347 HA VAL 54 HA VAL 54 7.518 7.833 -3.293 348 HB VAL 54 HB VAL 54 8.679 5.240 -2.699 349 1HG1 VAL 54 1HG1 VAL 54 7.243 5.821 -0.531 350 2HG1 VAL 54 2HG1 VAL 54 8.756 6.676 -0.916 351 3HG1 VAL 54 3HG1 VAL 54 7.188 7.424 -1.303 352 1HG2 VAL 54 1HG2 VAL 54 6.798 4.153 -3.593 353 2HG2 VAL 54 2HG2 VAL 54 6.425 4.311 -1.859 354 3HG2 VAL 54 3HG2 VAL 54 5.681 5.422 -3.033 355 H ASP 55 H ASP 55 10.010 7.664 -2.702 356 HA ASP 55 HA ASP 55 11.331 7.682 -5.273 357 2HB ASP 55 2HB ASP 55 12.539 8.576 -2.633 358 HD2 ASP 55 HD2 ASP 55 15.031 8.937 -4.902 359 H GLN 56 H GLN 56 10.923 5.798 -2.394 360 HA GLN 56 HA GLN 56 13.532 4.705 -2.313 361 2HB GLN 56 2HB GLN 56 11.857 2.910 -0.980 362 2HG GLN 56 2HG GLN 56 12.432 5.089 0.792 363 1HE2 GLN 56 1HE2 GLN 56 14.066 4.469 2.336 364 2HE2 GLN 56 2HE2 GLN 56 14.458 2.799 2.576 365 H ILE 57 H ILE 57 14.099 3.795 -4.315 366 HA ILE 57 HA ILE 57 12.247 1.969 -5.573 367 HB ILE 57 HB ILE 57 15.067 2.593 -6.419 368 2HG1 ILE 57 2HG1 ILE 57 13.844 4.711 -5.975 369 1HG2 ILE 57 1HG2 ILE 57 13.556 2.352 -8.671 370 2HG2 ILE 57 2HG2 ILE 57 14.475 1.027 -7.917 371 3HG2 ILE 57 3HG2 ILE 57 12.737 1.208 -7.581 372 1HD1 ILE 57 1HD1 ILE 57 13.821 5.225 -8.700 373 2HD1 ILE 57 2HD1 ILE 57 15.266 5.290 -7.663 374 3HD1 ILE 57 3HD1 ILE 57 14.902 3.815 -8.590 375 H GLU 58 H GLU 58 13.197 -0.217 -6.353 376 HA GLU 58 HA GLU 58 13.877 -1.628 -4.029 377 2HB GLU 58 2HB GLU 58 14.319 -2.949 -6.667 378 2HG GLU 58 2HG GLU 58 12.152 -4.036 -5.138 379 HE2 GLU 58 HE2 GLU 58 13.653 -6.738 -6.230 Start of MODEL 17 1 1H MET 1 1H MET 1 8.412 -7.464 -15.024 2 HA MET 1 HA MET 1 10.961 -6.688 -13.872 3 2HB MET 1 2HB MET 1 8.804 -4.587 -14.078 4 2HG MET 1 2HG MET 1 11.263 -4.427 -13.078 5 1HE MET 1 1HE MET 1 13.617 -5.296 -13.602 6 2HE MET 1 2HE MET 1 14.558 -4.291 -14.730 7 3HE MET 1 3HE MET 1 13.590 -3.523 -13.449 8 H HIS 2 H HIS 2 10.702 -5.718 -11.639 9 HA HIS 2 HA HIS 2 8.669 -7.206 -10.256 10 2HB HIS 2 2HB HIS 2 10.700 -7.364 -9.170 11 HD1 HIS 2 HD1 HIS 2 13.024 -6.424 -8.411 12 HD2 HIS 2 HD2 HIS 2 10.695 -3.729 -10.627 13 HE1 HIS 2 HE1 HIS 2 14.582 -4.519 -9.085 14 H SER 3 H SER 3 6.922 -6.355 -9.092 15 HA SER 3 HA SER 3 5.558 -4.319 -10.050 16 2HB SER 3 2HB SER 3 4.925 -5.949 -8.173 17 HG SER 3 HG SER 3 6.120 -5.632 -6.400 18 H ARG 4 H ARG 4 5.248 -2.036 -9.584 19 HA ARG 4 HA ARG 4 7.713 -0.782 -8.906 20 2HB ARG 4 2HB ARG 4 5.715 1.211 -9.207 21 2HG ARG 4 2HG ARG 4 7.955 0.057 -10.782 22 2HD ARG 4 2HD ARG 4 7.063 1.735 -12.704 23 HE ARG 4 HE ARG 4 5.923 -0.978 -12.896 24 1HH1 ARG 4 1HH1 ARG 4 8.841 1.012 -13.190 25 2HH1 ARG 4 2HH1 ARG 4 9.672 -0.135 -14.188 26 2HH2 ARG 4 2HH2 ARG 4 8.582 -2.187 -14.777 27 H PHE 5 H PHE 5 7.516 1.331 -7.439 28 HA PHE 5 HA PHE 5 6.278 0.436 -4.966 29 2HB PHE 5 2HB PHE 5 8.598 1.117 -4.785 30 HD1 PHE 5 HD1 PHE 5 10.168 1.458 -6.462 31 HD2 PHE 5 HD2 PHE 5 7.131 4.363 -5.878 32 HE1 PHE 5 HE1 PHE 5 11.287 2.963 -8.130 33 HE2 PHE 5 HE2 PHE 5 8.250 5.869 -7.546 34 HZ PHE 5 HZ PHE 5 10.315 5.150 -8.653 35 H VAL 6 H VAL 6 4.739 1.642 -3.804 36 HA VAL 6 HA VAL 6 3.882 4.168 -4.955 37 HB VAL 6 HB VAL 6 1.763 3.550 -5.494 38 1HG1 VAL 6 1HG1 VAL 6 1.801 1.591 -6.859 39 2HG1 VAL 6 2HG1 VAL 6 3.442 2.276 -6.889 40 3HG1 VAL 6 3HG1 VAL 6 3.091 0.852 -5.881 41 1HG2 VAL 6 1HG2 VAL 6 0.524 1.655 -4.572 42 2HG2 VAL 6 2HG2 VAL 6 1.975 1.113 -3.693 43 3HG2 VAL 6 3HG2 VAL 6 1.199 2.656 -3.263 44 H LYS 7 H LYS 7 3.384 5.620 -3.366 45 HA LYS 7 HA LYS 7 3.488 4.599 -0.646 46 2HB LYS 7 2HB LYS 7 4.115 7.149 -2.005 47 2HG LYS 7 2HG LYS 7 3.038 7.069 0.854 48 2HD LYS 7 2HD LYS 7 3.383 9.601 0.621 49 2HE LYS 7 2HE LYS 7 5.898 7.870 0.483 50 1HZ LYS 7 1HZ LYS 7 5.505 10.642 0.878 51 2HZ LYS 7 2HZ LYS 7 6.087 10.003 2.258 52 H VAL 8 H VAL 8 1.675 4.185 0.489 53 HA VAL 8 HA VAL 8 -0.760 5.587 -0.378 54 HB VAL 8 HB VAL 8 -1.938 3.552 0.520 55 1HG1 VAL 8 1HG1 VAL 8 -0.136 2.778 -1.771 56 2HG1 VAL 8 2HG1 VAL 8 -1.872 2.458 -1.539 57 3HG1 VAL 8 3HG1 VAL 8 -1.317 4.100 -1.947 58 1HG2 VAL 8 1HG2 VAL 8 0.747 2.177 0.258 59 2HG2 VAL 8 2HG2 VAL 8 0.113 2.761 1.816 60 3HG2 VAL 8 3HG2 VAL 8 -0.777 1.521 0.901 61 H LYS 9 H LYS 9 -2.435 5.683 1.489 62 HA LYS 9 HA LYS 9 -1.017 6.088 4.024 63 2HB LYS 9 2HB LYS 9 -3.004 7.976 2.726 64 2HG LYS 9 2HG LYS 9 -1.584 8.125 5.427 65 2HD LYS 9 2HD LYS 9 -2.896 10.120 3.700 66 2HE LYS 9 2HE LYS 9 -3.905 9.673 6.545 67 1HZ LYS 9 1HZ LYS 9 -4.991 11.963 5.396 68 2HZ LYS 9 2HZ LYS 9 -4.024 11.897 6.704 69 H CYS 10 H CYS 10 -2.051 5.292 5.826 70 HA CYS 10 HA CYS 10 -4.186 3.507 5.354 71 2HB CYS 10 2HB CYS 10 -3.419 4.387 8.121 72 HG CYS 10 HG CYS 10 -3.181 1.517 8.227 73 HA PRO 11 HA PRO 11 -7.340 6.493 5.931 74 2HB PRO 11 2HB PRO 11 -8.690 5.484 4.361 75 2HG PRO 11 2HG PRO 11 -8.124 3.305 3.863 76 2HD PRO 11 2HD PRO 11 -5.901 3.317 4.447 77 H ASP 12 H ASP 12 -7.250 3.576 7.845 78 HA ASP 12 HA ASP 12 -8.911 4.779 9.825 79 2HB ASP 12 2HB ASP 12 -7.693 2.567 11.009 80 HD2 ASP 12 HD2 ASP 12 -10.007 1.552 11.816 81 H CYS 13 H CYS 13 -5.442 3.851 9.338 82 HA CYS 13 HA CYS 13 -4.647 4.757 11.907 83 2HB CYS 13 2HB CYS 13 -2.528 4.591 9.880 84 HG CYS 13 HG CYS 13 -3.478 3.161 12.704 85 H GLU 14 H GLU 14 -5.006 6.100 8.625 86 HA GLU 14 HA GLU 14 -4.963 8.142 7.880 87 2HB GLU 14 2HB GLU 14 -4.974 10.093 9.444 88 2HG GLU 14 2HG GLU 14 -6.696 7.931 10.694 89 HE2 GLU 14 HE2 GLU 14 -6.689 11.066 9.119 90 H HIS 15 H HIS 15 -2.432 6.463 8.993 91 HA HIS 15 HA HIS 15 -0.490 8.617 8.745 92 2HB HIS 15 2HB HIS 15 0.087 5.733 9.426 93 HD1 HIS 15 HD1 HIS 15 2.522 5.421 9.904 94 HD2 HIS 15 HD2 HIS 15 1.383 9.454 10.066 95 HE1 HIS 15 HE1 HIS 15 4.665 6.754 10.280 96 H GLU 16 H GLU 16 1.310 8.433 7.231 97 HA GLU 16 HA GLU 16 0.405 7.206 4.799 98 2HB GLU 16 2HB GLU 16 2.412 8.415 3.820 99 2HG GLU 16 2HG GLU 16 0.435 10.010 5.515 100 HE2 GLU 16 HE2 GLU 16 2.756 11.180 2.592 101 H GLN 17 H GLN 17 1.262 5.364 3.863 102 HA GLN 17 HA GLN 17 3.717 4.356 5.051 103 2HB GLN 17 2HB GLN 17 2.209 2.065 4.409 104 2HG GLN 17 2HG GLN 17 1.912 2.688 7.205 105 1HE2 GLN 17 1HE2 GLN 17 1.416 0.505 7.045 106 2HE2 GLN 17 2HE2 GLN 17 2.620 -0.726 6.869 107 H VAL 18 H VAL 18 4.742 2.594 3.621 108 HA VAL 18 HA VAL 18 4.116 3.178 0.807 109 HB VAL 18 HB VAL 18 6.807 2.628 2.076 110 1HG1 VAL 18 1HG1 VAL 18 7.219 1.894 -0.035 111 2HG1 VAL 18 2HG1 VAL 18 5.858 2.801 -0.737 112 3HG1 VAL 18 3HG1 VAL 18 7.382 3.637 -0.360 113 1HG2 VAL 18 1HG2 VAL 18 7.246 5.032 1.317 114 2HG2 VAL 18 2HG2 VAL 18 5.479 5.189 1.163 115 3HG2 VAL 18 3HG2 VAL 18 6.204 4.814 2.745 116 H ILE 19 H ILE 19 3.196 1.439 -0.142 117 HA ILE 19 HA ILE 19 4.364 -1.167 0.451 118 HB ILE 19 HB ILE 19 2.125 -2.169 0.613 119 2HG1 ILE 19 2HG1 ILE 19 1.240 0.335 -0.315 120 1HG2 ILE 19 1HG2 ILE 19 3.096 -0.176 2.637 121 2HG2 ILE 19 2HG2 ILE 19 1.588 -1.076 2.919 122 3HG2 ILE 19 3HG2 ILE 19 3.117 -1.955 2.686 123 1HD1 ILE 19 1HD1 ILE 19 -1.059 -0.922 0.346 124 2HD1 ILE 19 2HD1 ILE 19 -0.059 -1.440 -1.032 125 3HD1 ILE 19 3HD1 ILE 19 0.061 -2.292 0.526 126 H PHE 20 H PHE 20 3.571 -2.829 -1.228 127 HA PHE 20 HA PHE 20 3.842 -1.558 -3.796 128 2HB PHE 20 2HB PHE 20 4.080 -3.936 -4.512 129 HD1 PHE 20 HD1 PHE 20 6.268 -2.468 -4.257 130 HD2 PHE 20 HD2 PHE 20 4.833 -5.182 -1.327 131 HE1 PHE 20 HE1 PHE 20 8.572 -2.622 -3.272 132 HE2 PHE 20 HE2 PHE 20 7.138 -5.338 -0.343 133 HZ PHE 20 HZ PHE 20 8.979 -4.056 -1.327 134 H ASP 21 H ASP 21 2.361 -1.750 -5.563 135 HA ASP 21 HA ASP 21 -0.341 -1.795 -4.679 136 2HB ASP 21 2HB ASP 21 0.220 -1.776 -7.604 137 HD2 ASP 21 HD2 ASP 21 -2.271 -1.636 -7.370 138 H HIS 22 H HIS 22 -1.417 -3.768 -4.489 139 HA HIS 22 HA HIS 22 -2.213 -5.751 -5.004 140 2HB HIS 22 2HB HIS 22 -2.220 -6.583 -7.249 141 HD1 HIS 22 HD1 HIS 22 -2.469 -4.714 -9.650 142 HD2 HIS 22 HD2 HIS 22 -3.473 -3.579 -5.738 143 HE1 HIS 22 HE1 HIS 22 -4.104 -2.767 -9.867 144 HA PRO 23 HA PRO 23 1.899 -7.419 -3.980 145 2HB PRO 23 2HB PRO 23 2.284 -6.394 -1.955 146 2HG PRO 23 2HG PRO 23 0.485 -5.226 -1.108 147 2HD PRO 23 2HD PRO 23 -0.667 -4.789 -3.048 148 H SER 24 H SER 24 2.113 -9.484 -2.126 149 HA SER 24 HA SER 24 0.194 -11.317 -3.338 150 2HB SER 24 2HB SER 24 2.536 -11.700 -4.084 151 HG SER 24 HG SER 24 3.947 -12.696 -2.353 152 H THR 25 H THR 25 1.956 -10.252 -0.411 153 HA THR 25 HA THR 25 0.328 -12.105 1.194 154 HB THR 25 HB THR 25 2.220 -11.137 2.902 155 HG1 THR 25 HG1 THR 25 3.489 -9.908 1.537 156 1HG2 THR 25 1HG2 THR 25 1.933 -13.516 1.300 157 2HG2 THR 25 2HG2 THR 25 3.631 -12.994 1.185 158 3HG2 THR 25 3HG2 THR 25 2.904 -13.312 2.779 159 H ILE 26 H ILE 26 -0.467 -11.258 3.311 160 HA ILE 26 HA ILE 26 -2.009 -8.959 2.830 161 HB ILE 26 HB ILE 26 -1.451 -10.441 5.402 162 2HG1 ILE 26 2HG1 ILE 26 -2.342 -11.810 3.470 163 1HG2 ILE 26 1HG2 ILE 26 -3.429 -9.438 6.284 164 2HG2 ILE 26 2HG2 ILE 26 -2.395 -8.133 5.658 165 3HG2 ILE 26 3HG2 ILE 26 -3.811 -8.671 4.724 166 1HD1 ILE 26 1HD1 ILE 26 -2.734 -12.504 5.800 167 2HD1 ILE 26 2HD1 ILE 26 -4.122 -11.396 5.918 168 3HD1 ILE 26 3HD1 ILE 26 -4.196 -12.803 4.829 169 H VAL 27 H VAL 27 -1.808 -6.826 3.518 170 HA VAL 27 HA VAL 27 0.855 -6.167 4.557 171 HB VAL 27 HB VAL 27 -1.127 -4.471 3.025 172 1HG1 VAL 27 1HG1 VAL 27 0.512 -3.333 4.641 173 2HG1 VAL 27 2HG1 VAL 27 1.793 -3.859 3.522 174 3HG1 VAL 27 3HG1 VAL 27 0.505 -2.771 2.952 175 1HG2 VAL 27 1HG2 VAL 27 -0.188 -5.109 1.077 176 2HG2 VAL 27 2HG2 VAL 27 1.452 -5.160 1.767 177 3HG2 VAL 27 3HG2 VAL 27 0.347 -6.537 1.994 178 H LYS 28 H LYS 28 0.908 -5.747 6.699 179 HA LYS 28 HA LYS 28 -1.551 -4.702 7.905 180 2HB LYS 28 2HB LYS 28 -0.056 -5.452 10.022 181 2HG LYS 28 2HG LYS 28 -2.026 -6.888 8.251 182 2HD LYS 28 2HD LYS 28 -1.619 -8.443 10.631 183 2HE LYS 28 2HE LYS 28 -2.202 -8.847 7.916 184 1HZ LYS 28 1HZ LYS 28 -0.347 -9.636 6.960 185 2HZ LYS 28 2HZ LYS 28 0.535 -9.381 8.305 186 H CYS 29 H CYS 29 -1.541 -2.773 9.069 187 HA CYS 29 HA CYS 29 0.334 -0.879 8.284 188 2HB CYS 29 2HB CYS 29 -1.260 -0.471 10.789 189 HG CYS 29 HG CYS 29 -1.352 1.897 10.316 190 H ILE 30 H ILE 30 2.403 -0.531 9.024 191 HA ILE 30 HA ILE 30 3.462 -2.134 11.086 192 HB ILE 30 HB ILE 30 5.496 -0.842 10.726 193 2HG1 ILE 30 2HG1 ILE 30 3.874 1.281 10.152 194 1HG2 ILE 30 1HG2 ILE 30 5.185 -1.100 7.982 195 2HG2 ILE 30 2HG2 ILE 30 5.707 -2.367 9.118 196 3HG2 ILE 30 3HG2 ILE 30 3.992 -2.238 8.656 197 1HD1 ILE 30 1HD1 ILE 30 6.310 1.911 8.906 198 2HD1 ILE 30 2HD1 ILE 30 5.930 2.116 10.633 199 3HD1 ILE 30 3HD1 ILE 30 6.738 0.634 10.069 200 H ILE 31 H ILE 31 1.462 0.618 11.160 201 HA ILE 31 HA ILE 31 2.624 1.862 13.449 202 HB ILE 31 HB ILE 31 -0.163 2.164 12.334 203 2HG1 ILE 31 2HG1 ILE 31 0.913 4.173 11.144 204 1HG2 ILE 31 1HG2 ILE 31 -0.458 3.680 13.923 205 2HG2 ILE 31 2HG2 ILE 31 1.146 3.291 14.589 206 3HG2 ILE 31 3HG2 ILE 31 0.978 4.572 13.365 207 1HD1 ILE 31 1HD1 ILE 31 3.293 3.717 10.458 208 2HD1 ILE 31 2HD1 ILE 31 3.128 4.119 12.184 209 3HD1 ILE 31 3HD1 ILE 31 3.358 2.427 11.683 210 H CYS 32 H CYS 32 -0.715 0.493 13.157 211 HA CYS 32 HA CYS 32 -0.408 -0.441 15.894 212 2HB CYS 32 2HB CYS 32 -2.836 0.055 14.155 213 HG CYS 32 HG CYS 32 -4.505 -0.819 15.775 214 H GLY 33 H GLY 33 -1.460 -1.495 12.583 215 1HA GLY 33 1HA GLY 33 -0.385 -3.666 11.947 216 2HA GLY 33 2HA GLY 33 -1.055 -4.297 13.438 217 H ARG 34 H ARG 34 -2.726 -1.867 11.402 218 HA ARG 34 HA ARG 34 -4.882 -3.745 11.145 219 2HB ARG 34 2HB ARG 34 -4.819 -1.029 11.605 220 2HG ARG 34 2HG ARG 34 -5.641 -1.376 8.686 221 2HD ARG 34 2HD ARG 34 -6.220 0.882 8.711 222 HE ARG 34 HE ARG 34 -6.734 0.857 11.567 223 1HH1 ARG 34 1HH1 ARG 34 -7.667 -0.707 8.527 224 2HH1 ARG 34 2HH1 ARG 34 -9.231 -1.178 9.105 225 2HH2 ARG 34 2HH2 ARG 34 -9.875 -0.611 11.343 226 H THR 35 H THR 35 -5.855 -4.302 9.055 227 HA THR 35 HA THR 35 -3.928 -4.707 7.014 228 HB THR 35 HB THR 35 -6.976 -5.035 7.073 229 HG1 THR 35 HG1 THR 35 -5.391 -6.138 8.668 230 1HG2 THR 35 1HG2 THR 35 -5.468 -7.002 5.544 231 2HG2 THR 35 2HG2 THR 35 -6.801 -5.961 4.992 232 3HG2 THR 35 3HG2 THR 35 -5.122 -5.375 4.915 233 H VAL 36 H VAL 36 -3.295 -3.461 5.368 234 HA VAL 36 HA VAL 36 -4.963 -1.107 4.818 235 HB VAL 36 HB VAL 36 -2.787 -0.179 3.916 236 1HG1 VAL 36 1HG1 VAL 36 -2.069 -0.440 6.694 237 2HG1 VAL 36 2HG1 VAL 36 -2.780 0.951 5.839 238 3HG1 VAL 36 3HG1 VAL 36 -3.837 -0.294 6.546 239 1HG2 VAL 36 1HG2 VAL 36 -1.759 -2.590 3.956 240 2HG2 VAL 36 2HG2 VAL 36 -0.742 -1.182 4.338 241 3HG2 VAL 36 3HG2 VAL 36 -1.386 -2.196 5.651 242 H ALA 37 H ALA 37 -3.656 -4.110 3.631 243 HA ALA 37 HA ALA 37 -4.981 -3.655 1.111 244 1HB ALA 37 1HB ALA 37 -3.002 -4.168 -0.244 245 2HB ALA 37 2HB ALA 37 -2.711 -2.713 0.739 246 3HB ALA 37 3HB ALA 37 -2.001 -4.271 1.225 247 H GLU 38 H GLU 38 -5.804 -5.574 0.296 248 HA GLU 38 HA GLU 38 -4.923 -7.964 1.720 249 2HB GLU 38 2HB GLU 38 -7.562 -8.430 0.812 250 2HG GLU 38 2HG GLU 38 -6.751 -7.521 3.606 251 HE2 GLU 38 HE2 GLU 38 -8.943 -7.109 4.005 252 HA PRO 39 HA PRO 39 -4.161 -9.421 -2.314 253 2HB PRO 39 2HB PRO 39 -2.379 -10.687 -1.592 254 2HG PRO 39 2HG PRO 39 -2.362 -11.124 0.672 255 2HD PRO 39 2HD PRO 39 -3.621 -9.359 1.437 256 H THR 40 H THR 40 -6.041 -9.194 -3.454 257 HA THR 40 HA THR 40 -8.061 -11.228 -2.956 258 HB THR 40 HB THR 40 -8.471 -8.679 -3.255 259 HG1 THR 40 HG1 THR 40 -10.433 -9.307 -4.354 260 1HG2 THR 40 1HG2 THR 40 -7.063 -8.358 -5.310 261 2HG2 THR 40 2HG2 THR 40 -8.088 -9.528 -6.176 262 3HG2 THR 40 3HG2 THR 40 -8.773 -7.980 -5.628 263 H GLY 41 H GLY 41 -9.099 -12.331 -4.853 264 1HA GLY 41 1HA GLY 41 -7.286 -13.967 -6.144 265 2HA GLY 41 2HA GLY 41 -8.953 -13.710 -6.621 266 H GLY 42 H GLY 42 -5.604 -13.073 -7.349 267 1HA GLY 42 1HA GLY 42 -4.820 -12.469 -9.432 268 2HA GLY 42 2HA GLY 42 -6.390 -11.819 -9.861 269 H LYS 43 H LYS 43 -3.309 -11.192 -8.204 270 HA LYS 43 HA LYS 43 -2.279 -9.316 -7.664 271 2HB LYS 43 2HB LYS 43 -3.479 -7.132 -8.690 272 2HG LYS 43 2HG LYS 43 -2.051 -9.225 -10.396 273 2HD LYS 43 2HD LYS 43 -1.313 -6.393 -10.679 274 2HE LYS 43 2HE LYS 43 -2.559 -7.675 -12.996 275 1HZ LYS 43 1HZ LYS 43 0.298 -7.475 -12.924 276 2HZ LYS 43 2HZ LYS 43 -0.751 -6.718 -13.912 277 H GLY 44 H GLY 44 -2.210 -8.104 -5.796 278 1HA GLY 44 1HA GLY 44 -4.370 -8.347 -3.983 279 2HA GLY 44 2HA GLY 44 -2.899 -7.419 -3.766 280 H ASN 45 H ASN 45 -5.295 -6.395 -2.788 281 HA ASN 45 HA ASN 45 -5.796 -4.259 -4.709 282 2HB ASN 45 2HB ASN 45 -7.927 -4.600 -2.710 283 1HD2 ASN 45 1HD2 ASN 45 -10.021 -4.969 -3.925 284 2HD2 ASN 45 2HD2 ASN 45 -10.201 -4.182 -5.458 285 H ILE 46 H ILE 46 -5.448 -2.173 -3.855 286 HA ILE 46 HA ILE 46 -4.442 -2.035 -1.161 287 HB ILE 46 HB ILE 46 -4.763 0.087 -3.287 288 2HG1 ILE 46 2HG1 ILE 46 -3.258 -1.396 -4.235 289 1HG2 ILE 46 1HG2 ILE 46 -2.718 0.443 -1.211 290 2HG2 ILE 46 2HG2 ILE 46 -3.885 1.601 -1.893 291 3HG2 ILE 46 3HG2 ILE 46 -4.389 0.486 -0.599 292 1HD1 ILE 46 1HD1 ILE 46 -1.366 -0.117 -4.364 293 2HD1 ILE 46 2HD1 ILE 46 -2.251 0.994 -3.290 294 3HD1 ILE 46 3HD1 ILE 46 -1.096 -0.175 -2.606 295 H LYS 47 H LYS 47 -5.824 -1.931 0.523 296 HA LYS 47 HA LYS 47 -8.419 -0.687 0.070 297 2HB LYS 47 2HB LYS 47 -9.201 -1.906 1.887 298 2HG LYS 47 2HG LYS 47 -7.076 -3.915 1.382 299 2HD LYS 47 2HD LYS 47 -9.219 -5.068 0.395 300 2HE LYS 47 2HE LYS 47 -8.134 -5.085 2.892 301 1HZ LYS 47 1HZ LYS 47 -10.390 -3.385 3.097 302 2HZ LYS 47 2HZ LYS 47 -10.670 -4.732 3.968 303 H ALA 48 H ALA 48 -6.160 1.055 -0.014 304 HA ALA 48 HA ALA 48 -6.857 2.735 2.251 305 1HB ALA 48 1HB ALA 48 -4.823 1.327 2.858 306 2HB ALA 48 2HB ALA 48 -3.956 2.164 1.547 307 3HB ALA 48 3HB ALA 48 -4.586 3.089 2.932 308 H GLU 49 H GLU 49 -6.185 5.020 1.871 309 HA GLU 49 HA GLU 49 -6.638 5.657 -0.841 310 2HB GLU 49 2HB GLU 49 -5.916 7.414 1.546 311 2HG GLU 49 2HG GLU 49 -6.659 8.017 -1.321 312 HE2 GLU 49 HE2 GLU 49 -6.366 10.793 -0.514 313 H ILE 50 H ILE 50 -5.144 5.873 -2.450 314 HA ILE 50 HA ILE 50 -2.352 5.793 -1.713 315 HB ILE 50 HB ILE 50 -3.660 5.808 -4.434 316 2HG1 ILE 50 2HG1 ILE 50 -4.529 3.874 -3.530 317 1HG2 ILE 50 1HG2 ILE 50 -0.979 4.615 -3.887 318 2HG2 ILE 50 2HG2 ILE 50 -1.625 5.362 -5.367 319 3HG2 ILE 50 3HG2 ILE 50 -1.111 6.387 -4.006 320 1HD1 ILE 50 1HD1 ILE 50 -1.800 2.729 -4.170 321 2HD1 ILE 50 2HD1 ILE 50 -3.411 2.076 -4.557 322 3HD1 ILE 50 3HD1 ILE 50 -2.777 3.473 -5.459 323 H ILE 51 H ILE 51 -0.796 7.396 -2.245 324 HA ILE 51 HA ILE 51 -2.016 10.031 -2.653 325 HB ILE 51 HB ILE 51 0.279 9.022 -1.053 326 2HG1 ILE 51 2HG1 ILE 51 -2.012 10.946 -0.673 327 1HG2 ILE 51 1HG2 ILE 51 0.340 11.496 -2.688 328 2HG2 ILE 51 2HG2 ILE 51 0.839 11.655 -0.986 329 3HG2 ILE 51 3HG2 ILE 51 1.669 10.496 -2.053 330 1HD1 ILE 51 1HD1 ILE 51 -0.984 8.501 0.841 331 2HD1 ILE 51 2HD1 ILE 51 -2.398 9.479 1.304 332 3HD1 ILE 51 3HD1 ILE 51 -2.418 8.550 -0.214 333 H GLU 52 H GLU 52 1.338 8.776 -3.161 334 HA GLU 52 HA GLU 52 1.016 9.045 -5.986 335 2HB GLU 52 2HB GLU 52 1.527 11.399 -5.049 336 2HG GLU 52 2HG GLU 52 4.398 10.467 -4.988 337 HE2 GLU 52 HE2 GLU 52 3.359 13.545 -2.718 338 H TYR 53 H TYR 53 3.750 9.076 -6.725 339 HA TYR 53 HA TYR 53 4.487 6.420 -5.893 340 2HB TYR 53 2HB TYR 53 6.431 7.165 -7.571 341 HD1 TYR 53 HD1 TYR 53 3.189 8.426 -8.845 342 HD2 TYR 53 HD2 TYR 53 5.825 5.066 -8.574 343 HE1 TYR 53 HE1 TYR 53 1.821 7.201 -10.603 344 HE2 TYR 53 HE2 TYR 53 4.448 3.853 -10.333 345 HH TYR 53 HH TYR 53 1.658 5.444 -11.851 346 H VAL 54 H VAL 54 6.467 5.810 -4.885 347 HA VAL 54 HA VAL 54 7.510 7.903 -3.157 348 HB VAL 54 HB VAL 54 8.635 5.268 -2.784 349 1HG1 VAL 54 1HG1 VAL 54 7.806 5.574 -0.515 350 2HG1 VAL 54 2HG1 VAL 54 8.548 7.082 -1.102 351 3HG1 VAL 54 3HG1 VAL 54 6.775 6.925 -1.046 352 1HG2 VAL 54 1HG2 VAL 54 6.739 4.255 -3.737 353 2HG2 VAL 54 2HG2 VAL 54 6.401 4.266 -1.989 354 3HG2 VAL 54 3HG2 VAL 54 5.632 5.469 -3.053 355 H ASP 55 H ASP 55 10.037 7.522 -2.679 356 HA ASP 55 HA ASP 55 11.242 7.705 -5.311 357 2HB ASP 55 2HB ASP 55 12.927 8.372 -2.976 358 HD2 ASP 55 HD2 ASP 55 11.535 11.140 -4.617 359 H GLN 56 H GLN 56 10.807 5.594 -2.654 360 HA GLN 56 HA GLN 56 13.406 4.486 -2.579 361 2HB GLN 56 2HB GLN 56 12.141 4.237 -0.590 362 2HG GLN 56 2HG GLN 56 9.916 3.764 -2.486 363 1HE2 GLN 56 1HE2 GLN 56 9.885 3.094 0.959 364 2HE2 GLN 56 2HE2 GLN 56 9.265 1.478 0.886 365 H ILE 57 H ILE 57 13.991 3.902 -4.727 366 HA ILE 57 HA ILE 57 12.230 2.197 -6.228 367 HB ILE 57 HB ILE 57 15.084 2.939 -6.848 368 2HG1 ILE 57 2HG1 ILE 57 13.889 4.996 -6.331 369 1HG2 ILE 57 1HG2 ILE 57 13.832 2.853 -9.216 370 2HG2 ILE 57 2HG2 ILE 57 14.586 1.428 -8.460 371 3HG2 ILE 57 3HG2 ILE 57 12.830 1.684 -8.321 372 1HD1 ILE 57 1HD1 ILE 57 15.220 4.436 -8.708 373 2HD1 ILE 57 2HD1 ILE 57 13.693 5.155 -9.275 374 3HD1 ILE 57 3HD1 ILE 57 14.741 6.060 -8.156 375 H GLU 58 H GLU 58 13.291 0.130 -7.247 376 HA GLU 58 HA GLU 58 14.175 -1.410 -4.973 377 2HB GLU 58 2HB GLU 58 13.701 -2.686 -7.647 378 2HG GLU 58 2HG GLU 58 13.770 -3.442 -4.863 379 HE2 GLU 58 HE2 GLU 58 10.075 -4.476 -6.067 Start of MODEL 18 1 1H MET 1 1H MET 1 10.647 -5.203 -14.318 2 HA MET 1 HA MET 1 8.408 -6.864 -15.052 3 2HB MET 1 2HB MET 1 10.238 -8.529 -13.819 4 2HG MET 1 2HG MET 1 10.449 -7.420 -16.661 5 1HE MET 1 1HE MET 1 11.205 -8.968 -18.452 6 2HE MET 1 2HE MET 1 12.394 -10.278 -18.264 7 3HE MET 1 3HE MET 1 10.672 -10.584 -17.929 8 H HIS 2 H HIS 2 10.381 -6.080 -12.103 9 HA HIS 2 HA HIS 2 8.636 -7.506 -10.395 10 2HB HIS 2 2HB HIS 2 10.392 -5.350 -9.327 11 HD1 HIS 2 HD1 HIS 2 12.156 -6.938 -7.587 12 HD2 HIS 2 HD2 HIS 2 8.213 -8.147 -8.353 13 HE1 HIS 2 HE1 HIS 2 11.504 -8.502 -5.679 14 H SER 3 H SER 3 6.957 -6.770 -9.061 15 HA SER 3 HA SER 3 5.244 -4.986 -9.951 16 2HB SER 3 2HB SER 3 5.101 -6.519 -7.879 17 HG SER 3 HG SER 3 6.122 -5.885 -6.119 18 H ARG 4 H ARG 4 4.667 -2.723 -9.456 19 HA ARG 4 HA ARG 4 7.033 -1.134 -9.298 20 2HB ARG 4 2HB ARG 4 4.173 -0.091 -9.456 21 2HG ARG 4 2HG ARG 4 6.932 0.909 -10.150 22 2HD ARG 4 2HD ARG 4 4.497 2.172 -11.435 23 HE ARG 4 HE ARG 4 6.377 3.535 -11.856 24 1HH1 ARG 4 1HH1 ARG 4 7.139 0.165 -12.641 25 2HH1 ARG 4 2HH1 ARG 4 8.626 0.558 -13.438 26 2HH2 ARG 4 2HH2 ARG 4 9.312 2.850 -13.581 27 H PHE 5 H PHE 5 6.779 1.044 -7.924 28 HA PHE 5 HA PHE 5 5.968 0.186 -5.251 29 2HB PHE 5 2HB PHE 5 8.284 0.895 -5.383 30 HD1 PHE 5 HD1 PHE 5 9.028 0.923 -7.737 31 HD2 PHE 5 HD2 PHE 5 7.254 4.331 -5.937 32 HE1 PHE 5 HE1 PHE 5 9.916 2.365 -9.591 33 HE2 PHE 5 HE2 PHE 5 8.140 5.772 -7.791 34 HZ PHE 5 HZ PHE 5 9.461 4.772 -9.596 35 H VAL 6 H VAL 6 4.466 1.330 -4.030 36 HA VAL 6 HA VAL 6 3.498 3.854 -5.103 37 HB VAL 6 HB VAL 6 1.867 2.710 -6.151 38 1HG1 VAL 6 1HG1 VAL 6 2.494 0.490 -4.223 39 2HG1 VAL 6 2HG1 VAL 6 0.964 0.463 -5.132 40 3HG1 VAL 6 3HG1 VAL 6 2.517 0.493 -6.002 41 1HG2 VAL 6 1HG2 VAL 6 0.977 3.881 -3.929 42 2HG2 VAL 6 2HG2 VAL 6 -0.107 2.985 -5.019 43 3HG2 VAL 6 3HG2 VAL 6 0.503 2.211 -3.537 44 H LYS 7 H LYS 7 3.253 5.303 -3.472 45 HA LYS 7 HA LYS 7 3.484 4.261 -0.769 46 2HB LYS 7 2HB LYS 7 4.054 6.847 -2.134 47 2HG LYS 7 2HG LYS 7 3.448 6.612 0.852 48 2HD LYS 7 2HD LYS 7 3.829 9.125 0.746 49 2HE LYS 7 2HE LYS 7 6.252 7.471 -0.104 50 1HZ LYS 7 1HZ LYS 7 6.321 10.026 0.233 51 2HZ LYS 7 2HZ LYS 7 6.209 9.700 1.824 52 H VAL 8 H VAL 8 1.730 3.923 0.478 53 HA VAL 8 HA VAL 8 -0.684 5.453 -0.215 54 HB VAL 8 HB VAL 8 -1.871 3.448 0.803 55 1HG1 VAL 8 1HG1 VAL 8 -1.390 4.076 -1.736 56 2HG1 VAL 8 2HG1 VAL 8 -0.454 2.562 -1.681 57 3HG1 VAL 8 3HG1 VAL 8 -2.190 2.552 -1.286 58 1HG2 VAL 8 1HG2 VAL 8 0.609 2.622 1.551 59 2HG2 VAL 8 2HG2 VAL 8 -0.790 1.539 1.356 60 3HG2 VAL 8 3HG2 VAL 8 0.399 1.703 0.040 61 H LYS 9 H LYS 9 -2.222 5.625 1.756 62 HA LYS 9 HA LYS 9 -0.669 5.837 4.227 63 2HB LYS 9 2HB LYS 9 -2.106 8.033 2.776 64 2HG LYS 9 2HG LYS 9 -2.026 7.544 5.755 65 2HD LYS 9 2HD LYS 9 -1.318 10.091 4.353 66 2HE LYS 9 2HE LYS 9 -2.829 10.352 6.944 67 1HZ LYS 9 1HZ LYS 9 -2.633 12.083 4.537 68 2HZ LYS 9 2HZ LYS 9 -3.276 12.512 5.971 69 H CYS 10 H CYS 10 -1.772 5.190 6.054 70 HA CYS 10 HA CYS 10 -4.144 3.727 5.615 71 2HB CYS 10 2HB CYS 10 -3.285 4.459 8.386 72 HG CYS 10 HG CYS 10 -5.377 2.950 8.111 73 HA PRO 11 HA PRO 11 -6.850 7.112 6.258 74 2HB PRO 11 2HB PRO 11 -8.361 6.291 4.727 75 2HG PRO 11 2HG PRO 11 -8.111 4.053 4.230 76 2HD PRO 11 2HD PRO 11 -5.892 3.764 4.760 77 H ASP 12 H ASP 12 -7.096 4.218 8.192 78 HA ASP 12 HA ASP 12 -8.519 5.660 10.206 79 2HB ASP 12 2HB ASP 12 -7.413 3.167 11.171 80 HD2 ASP 12 HD2 ASP 12 -10.233 2.266 12.272 81 H CYS 13 H CYS 13 -5.250 4.214 9.615 82 HA CYS 13 HA CYS 13 -4.250 4.958 12.164 83 2HB CYS 13 2HB CYS 13 -2.241 4.507 10.072 84 HG CYS 13 HG CYS 13 -3.310 2.951 12.797 85 H GLU 14 H GLU 14 -4.497 6.384 8.907 86 HA GLU 14 HA GLU 14 -4.168 8.405 8.178 87 2HB GLU 14 2HB GLU 14 -3.844 10.316 9.764 88 2HG GLU 14 2HG GLU 14 -5.842 8.529 11.133 89 HE2 GLU 14 HE2 GLU 14 -7.358 11.361 11.966 90 H HIS 15 H HIS 15 -1.891 6.352 9.180 91 HA HIS 15 HA HIS 15 0.348 8.195 8.937 92 2HB HIS 15 2HB HIS 15 0.558 5.238 9.466 93 HD1 HIS 15 HD1 HIS 15 3.030 5.214 8.739 94 HD2 HIS 15 HD2 HIS 15 2.135 8.180 11.567 95 HE1 HIS 15 HE1 HIS 15 5.270 6.133 9.546 96 H GLU 16 H GLU 16 2.042 7.830 7.351 97 HA GLU 16 HA GLU 16 0.906 6.800 4.920 98 2HB GLU 16 2HB GLU 16 3.036 7.781 3.912 99 2HG GLU 16 2HG GLU 16 1.100 9.440 5.564 100 HE2 GLU 16 HE2 GLU 16 2.655 10.907 6.384 101 H GLN 17 H GLN 17 1.682 5.010 3.751 102 HA GLN 17 HA GLN 17 4.012 3.679 4.813 103 2HB GLN 17 2HB GLN 17 2.220 1.557 4.332 104 2HG GLN 17 2HG GLN 17 3.000 2.868 6.980 105 1HE2 GLN 17 1HE2 GLN 17 2.737 -0.338 5.454 106 2HE2 GLN 17 2HE2 GLN 17 1.767 -1.087 6.678 107 H VAL 18 H VAL 18 4.938 2.096 3.281 108 HA VAL 18 HA VAL 18 3.979 2.603 0.549 109 HB VAL 18 HB VAL 18 6.778 1.954 1.492 110 1HG1 VAL 18 1HG1 VAL 18 6.807 1.259 -0.696 111 2HG1 VAL 18 2HG1 VAL 18 5.516 2.380 -1.189 112 3HG1 VAL 18 3HG1 VAL 18 7.168 2.986 -0.927 113 1HG2 VAL 18 1HG2 VAL 18 5.764 4.633 0.500 114 2HG2 VAL 18 2HG2 VAL 18 5.884 4.210 2.225 115 3HG2 VAL 18 3HG2 VAL 18 7.349 4.251 1.215 116 H ILE 19 H ILE 19 2.981 0.881 -0.344 117 HA ILE 19 HA ILE 19 4.033 -1.764 0.355 118 HB ILE 19 HB ILE 19 1.731 -2.625 0.367 119 2HG1 ILE 19 2HG1 ILE 19 1.081 -0.121 -0.734 120 1HG2 ILE 19 1HG2 ILE 19 2.683 -2.307 2.490 121 2HG2 ILE 19 2HG2 ILE 19 2.534 -0.535 2.391 122 3HG2 ILE 19 3HG2 ILE 19 1.078 -1.542 2.584 123 1HD1 ILE 19 1HD1 ILE 19 0.046 -2.503 -0.973 124 2HD1 ILE 19 2HD1 ILE 19 -0.923 -2.068 0.454 125 3HD1 ILE 19 3HD1 ILE 19 -1.058 -1.108 -1.038 126 H PHE 20 H PHE 20 3.256 -3.451 -1.319 127 HA PHE 20 HA PHE 20 3.900 -2.373 -3.888 128 2HB PHE 20 2HB PHE 20 3.769 -4.816 -4.484 129 HD1 PHE 20 HD1 PHE 20 4.342 -6.424 -1.639 130 HD2 PHE 20 HD2 PHE 20 6.012 -3.162 -3.779 131 HE1 PHE 20 HE1 PHE 20 6.559 -6.840 -0.540 132 HE2 PHE 20 HE2 PHE 20 8.230 -3.578 -2.679 133 HZ PHE 20 HZ PHE 20 8.477 -5.411 -1.073 134 H ASP 21 H ASP 21 2.596 -2.577 -5.828 135 HA ASP 21 HA ASP 21 -0.159 -2.112 -5.234 136 2HB ASP 21 2HB ASP 21 1.128 -0.770 -6.925 137 HD2 ASP 21 HD2 ASP 21 2.405 -1.801 -9.878 138 H HIS 22 H HIS 22 1.670 -4.853 -5.494 139 HA HIS 22 HA HIS 22 -0.573 -6.458 -6.195 140 2HB HIS 22 2HB HIS 22 1.851 -6.669 -7.996 141 HD1 HIS 22 HD1 HIS 22 -0.805 -7.134 -10.125 142 HD2 HIS 22 HD2 HIS 22 0.645 -9.474 -6.960 143 HE1 HIS 22 HE1 HIS 22 -1.645 -9.506 -10.546 144 HA PRO 23 HA PRO 23 2.556 -8.113 -3.313 145 2HB PRO 23 2HB PRO 23 2.206 -6.794 -1.458 146 2HG PRO 23 2HG PRO 23 0.366 -5.411 -1.593 147 2HD PRO 23 2HD PRO 23 0.154 -5.235 -3.875 148 H SER 24 H SER 24 2.383 -10.085 -1.763 149 HA SER 24 HA SER 24 0.434 -11.807 -3.081 150 2HB SER 24 2HB SER 24 2.622 -12.577 -3.665 151 HG SER 24 HG SER 24 4.033 -13.196 -1.659 152 H THR 25 H THR 25 1.903 -10.697 -0.028 153 HA THR 25 HA THR 25 0.037 -12.417 1.462 154 HB THR 25 HB THR 25 1.759 -11.438 3.332 155 HG1 THR 25 HG1 THR 25 2.966 -10.186 1.804 156 1HG2 THR 25 1HG2 THR 25 1.671 -13.831 3.027 157 2HG2 THR 25 2HG2 THR 25 2.216 -13.705 1.338 158 3HG2 THR 25 3HG2 THR 25 3.354 -13.380 2.667 159 H ILE 26 H ILE 26 -0.933 -11.433 3.455 160 HA ILE 26 HA ILE 26 -2.354 -9.135 2.701 161 HB ILE 26 HB ILE 26 -2.063 -10.463 5.399 162 2HG1 ILE 26 2HG1 ILE 26 -2.830 -11.928 3.489 163 1HG2 ILE 26 1HG2 ILE 26 -4.576 -9.360 5.283 164 2HG2 ILE 26 2HG2 ILE 26 -3.174 -8.668 6.133 165 3HG2 ILE 26 3HG2 ILE 26 -3.575 -8.123 4.487 166 1HD1 ILE 26 1HD1 ILE 26 -5.160 -12.365 4.796 167 2HD1 ILE 26 2HD1 ILE 26 -3.585 -12.839 5.475 168 3HD1 ILE 26 3HD1 ILE 26 -4.358 -11.323 5.997 169 H VAL 27 H VAL 27 -2.134 -6.966 3.227 170 HA VAL 27 HA VAL 27 0.471 -6.277 4.357 171 HB VAL 27 HB VAL 27 -1.525 -4.573 2.856 172 1HG1 VAL 27 1HG1 VAL 27 -0.216 -2.851 3.390 173 2HG1 VAL 27 2HG1 VAL 27 0.836 -3.930 4.338 174 3HG1 VAL 27 3HG1 VAL 27 1.165 -3.658 2.610 175 1HG2 VAL 27 1HG2 VAL 27 0.281 -4.836 1.004 176 2HG2 VAL 27 2HG2 VAL 27 0.757 -6.298 1.904 177 3HG2 VAL 27 3HG2 VAL 27 -0.895 -6.149 1.256 178 H LYS 28 H LYS 28 0.521 -5.865 6.501 179 HA LYS 28 HA LYS 28 -1.923 -4.756 7.688 180 2HB LYS 28 2HB LYS 28 -0.536 -5.614 9.824 181 2HG LYS 28 2HG LYS 28 -2.507 -6.920 7.967 182 2HD LYS 28 2HD LYS 28 -1.139 -8.349 10.296 183 2HE LYS 28 2HE LYS 28 -3.815 -8.621 9.110 184 1HZ LYS 28 1HZ LYS 28 -2.120 -10.440 8.080 185 2HZ LYS 28 2HZ LYS 28 -2.595 -11.228 9.423 186 H CYS 29 H CYS 29 -1.834 -2.848 8.882 187 HA CYS 29 HA CYS 29 0.082 -1.008 8.149 188 2HB CYS 29 2HB CYS 29 -1.399 -0.694 10.743 189 HG CYS 29 HG CYS 29 -1.493 1.721 10.386 190 H ILE 30 H ILE 30 2.197 -0.763 8.793 191 HA ILE 30 HA ILE 30 3.306 -2.493 10.718 192 HB ILE 30 HB ILE 30 5.357 -1.229 10.325 193 2HG1 ILE 30 2HG1 ILE 30 3.745 0.948 9.904 194 1HG2 ILE 30 1HG2 ILE 30 3.713 -2.471 8.250 195 2HG2 ILE 30 2HG2 ILE 30 4.948 -1.365 7.600 196 3HG2 ILE 30 3HG2 ILE 30 5.429 -2.712 8.660 197 1HD1 ILE 30 1HD1 ILE 30 6.023 1.226 10.578 198 2HD1 ILE 30 2HD1 ILE 30 6.632 0.365 9.144 199 3HD1 ILE 30 3HD1 ILE 30 5.922 1.988 8.973 200 H ILE 31 H ILE 31 1.404 0.316 11.030 201 HA ILE 31 HA ILE 31 2.714 1.382 13.333 202 HB ILE 31 HB ILE 31 -0.085 1.873 12.317 203 2HG1 ILE 31 2HG1 ILE 31 1.073 3.929 11.270 204 1HG2 ILE 31 1HG2 ILE 31 1.711 3.255 14.294 205 2HG2 ILE 31 2HG2 ILE 31 0.469 4.164 13.400 206 3HG2 ILE 31 3HG2 ILE 31 -0.003 2.799 14.442 207 1HD1 ILE 31 1HD1 ILE 31 3.420 1.996 11.560 208 2HD1 ILE 31 2HD1 ILE 31 3.400 3.417 10.488 209 3HD1 ILE 31 3HD1 ILE 31 3.308 3.631 12.254 210 H CYS 32 H CYS 32 -0.698 0.201 13.100 211 HA CYS 32 HA CYS 32 -0.340 -0.901 15.768 212 2HB CYS 32 2HB CYS 32 -2.790 -0.186 14.143 213 HG CYS 32 HG CYS 32 -4.454 -1.049 15.812 214 H GLY 33 H GLY 33 -1.583 -1.732 12.456 215 1HA GLY 33 1HA GLY 33 -0.617 -3.910 11.664 216 2HA GLY 33 2HA GLY 33 -1.262 -4.590 13.145 217 H ARG 34 H ARG 34 -2.894 -1.985 11.303 218 HA ARG 34 HA ARG 34 -5.140 -3.750 11.033 219 2HB ARG 34 2HB ARG 34 -4.944 -1.074 11.638 220 2HG ARG 34 2HG ARG 34 -5.917 -1.183 8.750 221 2HD ARG 34 2HD ARG 34 -6.280 1.110 8.942 222 HE ARG 34 HE ARG 34 -6.571 0.892 11.841 223 1HH1 ARG 34 1HH1 ARG 34 -7.941 -0.134 8.740 224 2HH1 ARG 34 2HH1 ARG 34 -9.517 -0.434 9.394 225 2HH2 ARG 34 2HH2 ARG 34 -9.910 -0.054 11.727 226 H THR 35 H THR 35 -6.182 -4.205 8.968 227 HA THR 35 HA THR 35 -4.378 -4.603 6.840 228 HB THR 35 HB THR 35 -7.422 -4.597 6.664 229 HG1 THR 35 HG1 THR 35 -7.046 -6.819 7.627 230 1HG2 THR 35 1HG2 THR 35 -7.127 -6.166 4.985 231 2HG2 THR 35 2HG2 THR 35 -5.535 -5.388 4.824 232 3HG2 THR 35 3HG2 THR 35 -5.704 -6.882 5.777 233 H VAL 36 H VAL 36 -3.669 -3.320 5.257 234 HA VAL 36 HA VAL 36 -5.168 -0.824 4.851 235 HB VAL 36 HB VAL 36 -2.903 -0.038 3.961 236 1HG1 VAL 36 1HG1 VAL 36 -4.090 0.119 6.438 237 2HG1 VAL 36 2HG1 VAL 36 -2.465 -0.489 6.836 238 3HG1 VAL 36 3HG1 VAL 36 -2.649 1.029 5.925 239 1HG2 VAL 36 1HG2 VAL 36 -2.082 -2.549 4.066 240 2HG2 VAL 36 2HG2 VAL 36 -0.963 -1.203 4.391 241 3HG2 VAL 36 3HG2 VAL 36 -1.675 -2.114 5.744 242 H ALA 37 H ALA 37 -3.791 -3.760 3.441 243 HA ALA 37 HA ALA 37 -5.300 -3.301 1.052 244 1HB ALA 37 1HB ALA 37 -3.173 -1.995 0.675 245 2HB ALA 37 2HB ALA 37 -2.273 -3.523 0.832 246 3HB ALA 37 3HB ALA 37 -3.440 -3.309 -0.495 247 H GLU 38 H GLU 38 -5.753 -5.264 -0.006 248 HA GLU 38 HA GLU 38 -4.465 -7.582 1.207 249 2HB GLU 38 2HB GLU 38 -7.197 -8.098 0.261 250 2HG GLU 38 2HG GLU 38 -6.700 -8.346 3.136 251 HE2 GLU 38 HE2 GLU 38 -7.085 -10.719 3.593 252 HA PRO 39 HA PRO 39 -3.708 -8.544 -2.977 253 2HB PRO 39 2HB PRO 39 -1.677 -9.497 -2.461 254 2HG PRO 39 2HG PRO 39 -1.423 -10.085 -0.246 255 2HD PRO 39 2HD PRO 39 -2.932 -8.653 0.732 256 H THR 40 H THR 40 -6.171 -8.489 -3.074 257 HA THR 40 HA THR 40 -7.689 -10.740 -2.842 258 HB THR 40 HB THR 40 -9.118 -9.599 -4.591 259 HG1 THR 40 HG1 THR 40 -7.426 -8.831 -5.968 260 1HG2 THR 40 1HG2 THR 40 -7.948 -8.223 -2.227 261 2HG2 THR 40 2HG2 THR 40 -8.564 -7.111 -3.473 262 3HG2 THR 40 3HG2 THR 40 -9.647 -8.323 -2.746 263 H GLY 41 H GLY 41 -6.944 -12.734 -3.379 264 1HA GLY 41 1HA GLY 41 -6.147 -14.413 -4.660 265 2HA GLY 41 2HA GLY 41 -7.224 -13.755 -5.875 266 H GLY 42 H GLY 42 -6.387 -12.749 -7.703 267 1HA GLY 42 1HA GLY 42 -3.596 -13.070 -8.210 268 2HA GLY 42 2HA GLY 42 -4.801 -12.359 -9.266 269 H LYS 43 H LYS 43 -5.110 -10.102 -9.326 270 HA LYS 43 HA LYS 43 -2.930 -8.561 -8.415 271 2HB LYS 43 2HB LYS 43 -4.096 -8.043 -10.480 272 2HG LYS 43 2HG LYS 43 -6.444 -6.777 -9.234 273 2HD LYS 43 2HD LYS 43 -5.672 -8.229 -11.678 274 2HE LYS 43 2HE LYS 43 -8.591 -8.524 -11.082 275 1HZ LYS 43 1HZ LYS 43 -8.317 -9.720 -12.945 276 2HZ LYS 43 2HZ LYS 43 -6.708 -9.479 -12.939 277 H GLY 44 H GLY 44 -2.808 -6.981 -6.764 278 1HA GLY 44 1HA GLY 44 -4.601 -7.525 -4.524 279 2HA GLY 44 2HA GLY 44 -3.077 -6.659 -4.489 280 H ASN 45 H ASN 45 -5.609 -5.776 -3.311 281 HA ASN 45 HA ASN 45 -6.011 -3.408 -4.964 282 2HB ASN 45 2HB ASN 45 -8.207 -3.964 -3.081 283 1HD2 ASN 45 1HD2 ASN 45 -9.392 -5.232 -5.706 284 2HD2 ASN 45 2HD2 ASN 45 -9.822 -3.853 -6.661 285 H ILE 46 H ILE 46 -5.680 -1.445 -3.845 286 HA ILE 46 HA ILE 46 -4.794 -1.673 -1.105 287 HB ILE 46 HB ILE 46 -4.863 0.667 -3.013 288 2HG1 ILE 46 2HG1 ILE 46 -2.998 -1.581 -2.641 289 1HG2 ILE 46 1HG2 ILE 46 -4.656 0.745 -0.251 290 2HG2 ILE 46 2HG2 ILE 46 -2.963 0.788 -0.802 291 3HG2 ILE 46 3HG2 ILE 46 -4.123 2.004 -1.391 292 1HD1 ILE 46 1HD1 ILE 46 -2.874 -1.381 -4.907 293 2HD1 ILE 46 2HD1 ILE 46 -4.254 -0.268 -4.747 294 3HD1 ILE 46 3HD1 ILE 46 -2.596 0.375 -4.817 295 H LYS 47 H LYS 47 -6.060 -1.327 0.638 296 HA LYS 47 HA LYS 47 -8.682 -0.142 0.132 297 2HB LYS 47 2HB LYS 47 -9.498 -1.387 1.898 298 2HG LYS 47 2HG LYS 47 -7.250 -3.306 1.503 299 2HD LYS 47 2HD LYS 47 -10.275 -3.290 1.216 300 2HE LYS 47 2HE LYS 47 -9.986 -5.778 0.658 301 1HZ LYS 47 1HZ LYS 47 -9.987 -5.301 -1.605 302 2HZ LYS 47 2HZ LYS 47 -10.385 -3.840 -1.008 303 H ALA 48 H ALA 48 -6.378 1.573 0.090 304 HA ALA 48 HA ALA 48 -7.124 3.281 2.320 305 1HB ALA 48 1HB ALA 48 -5.278 2.418 3.409 306 2HB ALA 48 2HB ALA 48 -4.434 2.019 1.894 307 3HB ALA 48 3HB ALA 48 -4.493 3.704 2.463 308 H GLU 49 H GLU 49 -6.155 5.546 1.969 309 HA GLU 49 HA GLU 49 -6.685 6.226 -0.725 310 2HB GLU 49 2HB GLU 49 -5.881 7.808 1.741 311 2HG GLU 49 2HG GLU 49 -6.194 8.718 -1.139 312 HE2 GLU 49 HE2 GLU 49 -6.769 10.134 2.210 313 H ILE 50 H ILE 50 -5.226 6.136 -2.372 314 HA ILE 50 HA ILE 50 -2.436 5.873 -1.754 315 HB ILE 50 HB ILE 50 -3.940 5.957 -4.372 316 2HG1 ILE 50 2HG1 ILE 50 -4.677 4.013 -3.369 317 1HG2 ILE 50 1HG2 ILE 50 -1.956 5.223 -5.457 318 2HG2 ILE 50 2HG2 ILE 50 -1.525 6.659 -4.499 319 3HG2 ILE 50 3HG2 ILE 50 -1.096 5.035 -3.910 320 1HD1 ILE 50 1HD1 ILE 50 -3.664 2.227 -4.529 321 2HD1 ILE 50 2HD1 ILE 50 -3.189 3.637 -5.504 322 3HD1 ILE 50 3HD1 ILE 50 -2.031 2.917 -4.359 323 H ILE 51 H ILE 51 -0.841 7.406 -1.927 324 HA ILE 51 HA ILE 51 -1.778 10.121 -2.310 325 HB ILE 51 HB ILE 51 0.607 8.805 -1.099 326 2HG1 ILE 51 2HG1 ILE 51 -1.452 10.845 -0.259 327 1HG2 ILE 51 1HG2 ILE 51 1.632 10.391 -2.621 328 2HG2 ILE 51 2HG2 ILE 51 0.561 11.687 -2.037 329 3HG2 ILE 51 3HG2 ILE 51 1.770 10.973 -0.944 330 1HD1 ILE 51 1HD1 ILE 51 -2.265 9.149 1.021 331 2HD1 ILE 51 2HD1 ILE 51 -1.291 8.072 -0.009 332 3HD1 ILE 51 3HD1 ILE 51 -0.635 8.655 1.540 333 H GLU 52 H GLU 52 0.754 7.884 -3.631 334 HA GLU 52 HA GLU 52 0.348 8.340 -6.214 335 2HB GLU 52 2HB GLU 52 2.560 10.128 -6.219 336 2HG GLU 52 2HG GLU 52 -0.264 10.041 -7.110 337 HE2 GLU 52 HE2 GLU 52 0.799 13.900 -6.706 338 H TYR 53 H TYR 53 2.923 8.521 -7.365 339 HA TYR 53 HA TYR 53 3.987 6.007 -6.598 340 2HB TYR 53 2HB TYR 53 5.750 6.844 -8.338 341 HD1 TYR 53 HD1 TYR 53 4.877 4.854 -9.424 342 HD2 TYR 53 HD2 TYR 53 2.618 8.487 -9.385 343 HE1 TYR 53 HE1 TYR 53 3.336 3.923 -11.219 344 HE2 TYR 53 HE2 TYR 53 1.085 7.544 -11.180 345 HH TYR 53 HH TYR 53 1.854 4.626 -12.857 346 H VAL 54 H VAL 54 5.817 5.477 -5.422 347 HA VAL 54 HA VAL 54 6.739 7.437 -3.587 348 HB VAL 54 HB VAL 54 8.159 4.852 -4.030 349 1HG1 VAL 54 1HG1 VAL 54 7.758 6.789 -1.898 350 2HG1 VAL 54 2HG1 VAL 54 7.360 5.139 -1.362 351 3HG1 VAL 54 3HG1 VAL 54 8.966 5.490 -2.046 352 1HG2 VAL 54 1HG2 VAL 54 5.246 5.113 -3.559 353 2HG2 VAL 54 2HG2 VAL 54 6.190 3.754 -4.216 354 3HG2 VAL 54 3HG2 VAL 54 6.107 4.012 -2.456 355 H ASP 55 H ASP 55 9.337 7.450 -3.259 356 HA ASP 55 HA ASP 55 10.329 8.296 -5.861 357 2HB ASP 55 2HB ASP 55 12.073 9.217 -3.820 358 HD2 ASP 55 HD2 ASP 55 9.328 11.658 -4.421 359 H GLN 56 H GLN 56 12.068 7.609 -2.760 360 HA GLN 56 HA GLN 56 14.076 6.188 -4.066 361 2HB GLN 56 2HB GLN 56 13.335 6.823 -1.240 362 2HG GLN 56 2HG GLN 56 14.886 4.380 -2.074 363 1HE2 GLN 56 1HE2 GLN 56 16.449 3.487 -0.678 364 2HE2 GLN 56 2HE2 GLN 56 17.501 4.479 0.276 365 H ILE 57 H ILE 57 13.269 4.429 -5.272 366 HA ILE 57 HA ILE 57 11.376 2.623 -4.296 367 HB ILE 57 HB ILE 57 13.498 2.209 -6.405 368 2HG1 ILE 57 2HG1 ILE 57 12.058 4.279 -6.663 369 1HG2 ILE 57 1HG2 ILE 57 11.712 0.658 -7.344 370 2HG2 ILE 57 2HG2 ILE 57 12.587 0.098 -5.900 371 3HG2 ILE 57 3HG2 ILE 57 10.939 0.751 -5.743 372 1HD1 ILE 57 1HD1 ILE 57 11.695 2.075 -8.744 373 2HD1 ILE 57 2HD1 ILE 57 11.571 3.827 -9.033 374 3HD1 ILE 57 3HD1 ILE 57 13.138 3.106 -8.594 375 H GLU 58 H GLU 58 11.933 0.158 -4.075 376 HA GLU 58 HA GLU 58 13.887 0.059 -1.966 377 2HB GLU 58 2HB GLU 58 12.488 -2.452 -2.637 378 2HG GLU 58 2HG GLU 58 11.795 -1.138 -0.116 379 HE2 GLU 58 HE2 GLU 58 11.276 -3.883 -1.211 Start of MODEL 19 1 1H MET 1 1H MET 1 13.237 -7.148 -8.035 2 HA MET 1 HA MET 1 11.932 -5.391 -8.348 3 2HB MET 1 2HB MET 1 12.436 -5.442 -11.303 4 2HG MET 1 2HG MET 1 12.577 -3.559 -9.026 5 1HE MET 1 1HE MET 1 16.200 -3.863 -8.594 6 2HE MET 1 2HE MET 1 15.257 -2.452 -8.058 7 3HE MET 1 3HE MET 1 14.529 -4.077 -8.021 8 H HIS 2 H HIS 2 10.154 -7.445 -8.202 9 HA HIS 2 HA HIS 2 8.498 -7.350 -10.578 10 2HB HIS 2 2HB HIS 2 7.162 -9.071 -9.392 11 HD1 HIS 2 HD1 HIS 2 10.973 -9.254 -8.875 12 HD2 HIS 2 HD2 HIS 2 7.872 -11.199 -10.926 13 HE1 HIS 2 HE1 HIS 2 12.054 -11.192 -10.134 14 H SER 3 H SER 3 6.442 -6.401 -10.673 15 HA SER 3 HA SER 3 4.787 -5.097 -10.139 16 2HB SER 3 2HB SER 3 5.550 -5.337 -7.200 17 HG SER 3 HG SER 3 3.141 -4.711 -8.650 18 H ARG 4 H ARG 4 4.304 -2.806 -9.425 19 HA ARG 4 HA ARG 4 6.783 -1.335 -9.450 20 2HB ARG 4 2HB ARG 4 3.924 -0.280 -9.715 21 2HG ARG 4 2HG ARG 4 6.690 0.863 -10.195 22 2HD ARG 4 2HD ARG 4 5.282 1.027 -12.338 23 HE ARG 4 HE ARG 4 3.585 3.016 -10.925 24 1HH1 ARG 4 1HH1 ARG 4 3.816 -0.135 -12.529 25 2HH1 ARG 4 2HH1 ARG 4 2.103 -0.291 -12.742 26 2HH2 ARG 4 2HH2 ARG 4 0.659 1.453 -11.955 27 H PHE 5 H PHE 5 6.672 0.866 -8.118 28 HA PHE 5 HA PHE 5 5.874 0.104 -5.421 29 2HB PHE 5 2HB PHE 5 8.184 0.826 -5.657 30 HD1 PHE 5 HD1 PHE 5 7.015 4.230 -6.227 31 HD2 PHE 5 HD2 PHE 5 8.914 0.872 -7.994 32 HE1 PHE 5 HE1 PHE 5 7.814 5.677 -8.117 33 HE2 PHE 5 HE2 PHE 5 9.712 2.317 -9.884 34 HZ PHE 5 HZ PHE 5 9.152 4.703 -9.923 35 H VAL 6 H VAL 6 4.370 1.242 -4.207 36 HA VAL 6 HA VAL 6 3.368 3.744 -5.299 37 HB VAL 6 HB VAL 6 1.711 2.605 -6.294 38 1HG1 VAL 6 1HG1 VAL 6 0.906 0.318 -5.111 39 2HG1 VAL 6 2HG1 VAL 6 2.243 0.396 -6.283 40 3HG1 VAL 6 3HG1 VAL 6 2.590 0.372 -4.536 41 1HG2 VAL 6 1HG2 VAL 6 -0.240 2.790 -5.095 42 2HG2 VAL 6 2HG2 VAL 6 0.452 2.043 -3.635 43 3HG2 VAL 6 3HG2 VAL 6 0.851 3.727 -4.047 44 H LYS 7 H LYS 7 3.139 5.213 -3.683 45 HA LYS 7 HA LYS 7 3.418 4.209 -0.970 46 2HB LYS 7 2HB LYS 7 3.973 6.762 -2.388 47 2HG LYS 7 2HG LYS 7 3.285 6.612 0.586 48 2HD LYS 7 2HD LYS 7 3.765 9.086 0.498 49 2HE LYS 7 2HE LYS 7 6.118 7.334 -0.363 50 1HZ LYS 7 1HZ LYS 7 7.401 8.968 0.820 51 2HZ LYS 7 2HZ LYS 7 6.497 9.789 -0.257 52 H VAL 8 H VAL 8 1.697 3.899 0.331 53 HA VAL 8 HA VAL 8 -0.734 5.414 -0.330 54 HB VAL 8 HB VAL 8 -1.931 3.408 0.635 55 1HG1 VAL 8 1HG1 VAL 8 -0.472 2.521 -1.825 56 2HG1 VAL 8 2HG1 VAL 8 -2.215 2.508 -1.458 57 3HG1 VAL 8 3HG1 VAL 8 -1.408 4.035 -1.891 58 1HG2 VAL 8 1HG2 VAL 8 -0.869 1.359 0.949 59 2HG2 VAL 8 2HG2 VAL 8 0.552 1.830 -0.014 60 3HG2 VAL 8 3HG2 VAL 8 0.314 2.512 1.613 61 H LYS 9 H LYS 9 -2.244 5.561 1.663 62 HA LYS 9 HA LYS 9 -0.641 5.748 4.107 63 2HB LYS 9 2HB LYS 9 -2.365 7.916 2.887 64 2HG LYS 9 2HG LYS 9 -1.007 8.065 5.597 65 2HD LYS 9 2HD LYS 9 -3.458 9.539 5.383 66 2HE LYS 9 2HE LYS 9 -0.727 9.934 6.151 67 1HZ LYS 9 1HZ LYS 9 0.002 11.382 4.610 68 2HZ LYS 9 2HZ LYS 9 -1.429 11.443 3.835 69 H CYS 10 H CYS 10 -1.694 5.084 5.965 70 HA CYS 10 HA CYS 10 -4.019 3.537 5.567 71 2HB CYS 10 2HB CYS 10 -3.102 4.312 8.315 72 HG CYS 10 HG CYS 10 -5.211 2.791 8.082 73 HA PRO 11 HA PRO 11 -6.826 6.830 6.253 74 2HB PRO 11 2HB PRO 11 -8.329 5.967 4.736 75 2HG PRO 11 2HG PRO 11 -8.009 3.740 4.225 76 2HD PRO 11 2HD PRO 11 -5.776 3.523 4.727 77 H ASP 12 H ASP 12 -6.975 3.915 8.170 78 HA ASP 12 HA ASP 12 -8.428 5.282 10.205 79 2HB ASP 12 2HB ASP 12 -7.043 2.772 10.950 80 HD2 ASP 12 HD2 ASP 12 -10.235 3.423 9.769 81 H CYS 13 H CYS 13 -5.088 4.034 9.575 82 HA CYS 13 HA CYS 13 -4.107 4.826 12.117 83 2HB CYS 13 2HB CYS 13 -2.089 4.498 10.019 84 HG CYS 13 HG CYS 13 -2.689 2.229 12.244 85 H GLU 14 H GLU 14 -4.239 6.165 8.780 86 HA GLU 14 HA GLU 14 -4.126 8.238 8.092 87 2HB GLU 14 2HB GLU 14 -4.047 10.145 9.582 88 2HG GLU 14 2HG GLU 14 -5.389 8.197 11.427 89 HE2 GLU 14 HE2 GLU 14 -5.872 9.884 12.676 90 H HIS 15 H HIS 15 -1.740 6.278 9.051 91 HA HIS 15 HA HIS 15 0.414 8.208 8.725 92 2HB HIS 15 2HB HIS 15 0.568 5.262 9.416 93 HD1 HIS 15 HD1 HIS 15 2.866 4.923 8.264 94 HD2 HIS 15 HD2 HIS 15 2.762 8.147 10.946 95 HE1 HIS 15 HE1 HIS 15 5.291 5.634 8.622 96 H GLU 16 H GLU 16 2.086 7.877 7.102 97 HA GLU 16 HA GLU 16 0.925 6.785 4.712 98 2HB GLU 16 2HB GLU 16 2.999 7.815 3.641 99 2HG GLU 16 2HG GLU 16 1.069 9.441 5.335 100 HE2 GLU 16 HE2 GLU 16 3.472 11.844 5.289 101 H GLN 17 H GLN 17 1.717 5.000 3.548 102 HA GLN 17 HA GLN 17 4.104 3.742 4.580 103 2HB GLN 17 2HB GLN 17 2.347 1.579 4.118 104 2HG GLN 17 2HG GLN 17 2.507 2.315 6.937 105 1HE2 GLN 17 1HE2 GLN 17 1.438 0.230 6.536 106 2HE2 GLN 17 2HE2 GLN 17 2.399 -1.205 6.418 107 H VAL 18 H VAL 18 4.989 2.086 3.052 108 HA VAL 18 HA VAL 18 4.029 2.613 0.323 109 HB VAL 18 HB VAL 18 6.829 1.975 1.273 110 1HG1 VAL 18 1HG1 VAL 18 7.142 3.003 -1.204 111 2HG1 VAL 18 2HG1 VAL 18 6.965 1.261 -0.881 112 3HG1 VAL 18 3HG1 VAL 18 5.558 2.217 -1.405 113 1HG2 VAL 18 1HG2 VAL 18 7.362 4.201 1.263 114 2HG2 VAL 18 2HG2 VAL 18 6.118 4.612 0.059 115 3HG2 VAL 18 3HG2 VAL 18 5.655 4.322 1.752 116 H ILE 19 H ILE 19 2.967 0.895 -0.506 117 HA ILE 19 HA ILE 19 4.069 -1.749 0.098 118 HB ILE 19 HB ILE 19 1.775 -2.626 0.281 119 2HG1 ILE 19 2HG1 ILE 19 1.030 -0.096 -0.699 120 1HG2 ILE 19 1HG2 ILE 19 2.996 -2.281 2.302 121 2HG2 ILE 19 2HG2 ILE 19 2.640 -0.537 2.292 122 3HG2 ILE 19 3HG2 ILE 19 1.331 -1.709 2.573 123 1HD1 ILE 19 1HD1 ILE 19 -0.373 -1.811 -1.367 124 2HD1 ILE 19 2HD1 ILE 19 -0.296 -2.630 0.211 125 3HD1 ILE 19 3HD1 ILE 19 -1.335 -1.201 0.000 126 H PHE 20 H PHE 20 3.193 -3.421 -1.529 127 HA PHE 20 HA PHE 20 3.646 -2.337 -4.121 128 2HB PHE 20 2HB PHE 20 3.346 -4.775 -4.728 129 HD1 PHE 20 HD1 PHE 20 4.125 -6.416 -1.951 130 HD2 PHE 20 HD2 PHE 20 5.710 -3.213 -4.238 131 HE1 PHE 20 HE1 PHE 20 6.421 -6.922 -1.070 132 HE2 PHE 20 HE2 PHE 20 8.005 -3.719 -3.357 133 HZ PHE 20 HZ PHE 20 8.333 -5.567 -1.783 134 H ASP 21 H ASP 21 2.203 -2.465 -5.968 135 HA ASP 21 HA ASP 21 -0.484 -1.905 -5.177 136 2HB ASP 21 2HB ASP 21 0.567 -0.512 -6.896 137 HD2 ASP 21 HD2 ASP 21 1.395 -1.841 -10.155 138 H HIS 22 H HIS 22 1.295 -4.687 -5.769 139 HA HIS 22 HA HIS 22 -1.071 -6.215 -6.263 140 2HB HIS 22 2HB HIS 22 1.036 -5.878 -8.377 141 HD1 HIS 22 HD1 HIS 22 -1.292 -8.594 -7.056 142 HD2 HIS 22 HD2 HIS 22 1.553 -7.997 -10.081 143 HE1 HIS 22 HE1 HIS 22 -0.890 -10.879 -8.120 144 HA PRO 23 HA PRO 23 2.245 -8.049 -3.722 145 2HB PRO 23 2HB PRO 23 2.072 -6.800 -1.795 146 2HG PRO 23 2HG PRO 23 0.254 -5.382 -1.725 147 2HD PRO 23 2HD PRO 23 -0.138 -5.111 -3.975 148 H SER 24 H SER 24 2.096 -10.056 -2.161 149 HA SER 24 HA SER 24 0.052 -11.705 -3.430 150 2HB SER 24 2HB SER 24 2.158 -12.532 -4.163 151 HG SER 24 HG SER 24 2.987 -11.875 -1.521 152 H THR 25 H THR 25 1.726 -10.730 -0.433 153 HA THR 25 HA THR 25 -0.107 -12.438 1.108 154 HB THR 25 HB THR 25 1.754 -11.583 2.904 155 HG1 THR 25 HG1 THR 25 3.070 -10.387 1.512 156 1HG2 THR 25 1HG2 THR 25 1.642 -13.944 2.601 157 2HG2 THR 25 2HG2 THR 25 1.912 -13.819 0.846 158 3HG2 THR 25 3HG2 THR 25 3.260 -13.544 1.975 159 H ILE 26 H ILE 26 -0.932 -11.494 3.180 160 HA ILE 26 HA ILE 26 -2.292 -9.108 2.582 161 HB ILE 26 HB ILE 26 -1.948 -10.558 5.210 162 2HG1 ILE 26 2HG1 ILE 26 -2.836 -11.922 3.275 163 1HG2 ILE 26 1HG2 ILE 26 -3.135 -8.934 6.138 164 2HG2 ILE 26 2HG2 ILE 26 -3.207 -8.067 4.585 165 3HG2 ILE 26 3HG2 ILE 26 -4.462 -9.259 4.998 166 1HD1 ILE 26 1HD1 ILE 26 -4.085 -13.083 4.784 167 2HD1 ILE 26 2HD1 ILE 26 -3.638 -11.804 5.939 168 3HD1 ILE 26 3HD1 ILE 26 -5.182 -11.707 5.058 169 H VAL 27 H VAL 27 -1.985 -6.978 3.250 170 HA VAL 27 HA VAL 27 0.684 -6.466 4.348 171 HB VAL 27 HB VAL 27 -1.174 -4.632 2.824 172 1HG1 VAL 27 1HG1 VAL 27 0.191 -3.048 3.639 173 2HG1 VAL 27 2HG1 VAL 27 1.366 -4.245 4.235 174 3HG1 VAL 27 3HG1 VAL 27 1.423 -3.711 2.538 175 1HG2 VAL 27 1HG2 VAL 27 -0.475 -5.533 0.908 176 2HG2 VAL 27 2HG2 VAL 27 1.227 -5.347 1.391 177 3HG2 VAL 27 3HG2 VAL 27 0.329 -6.815 1.843 178 H LYS 28 H LYS 28 0.728 -6.065 6.494 179 HA LYS 28 HA LYS 28 -1.683 -4.885 7.671 180 2HB LYS 28 2HB LYS 28 -0.243 -5.711 9.802 181 2HG LYS 28 2HG LYS 28 -2.277 -7.047 8.020 182 2HD LYS 28 2HD LYS 28 -2.348 -8.805 10.009 183 2HE LYS 28 2HE LYS 28 -0.310 -8.889 7.734 184 1HZ LYS 28 1HZ LYS 28 -1.423 -11.157 9.295 185 2HZ LYS 28 2HZ LYS 28 -0.327 -11.257 8.096 186 H CYS 29 H CYS 29 -1.560 -3.000 8.937 187 HA CYS 29 HA CYS 29 0.300 -1.131 8.124 188 2HB CYS 29 2HB CYS 29 -1.105 -0.884 10.775 189 HG CYS 29 HG CYS 29 -1.462 1.580 10.287 190 H ILE 30 H ILE 30 2.327 -0.506 8.924 191 HA ILE 30 HA ILE 30 3.599 -2.359 10.697 192 HB ILE 30 HB ILE 30 5.594 -1.053 10.248 193 2HG1 ILE 30 2HG1 ILE 30 3.955 1.114 9.993 194 1HG2 ILE 30 1HG2 ILE 30 5.224 -2.717 8.650 195 2HG2 ILE 30 2HG2 ILE 30 3.860 -1.842 7.913 196 3HG2 ILE 30 3HG2 ILE 30 5.523 -1.249 7.689 197 1HD1 ILE 30 1HD1 ILE 30 6.421 1.528 8.488 198 2HD1 ILE 30 2HD1 ILE 30 5.972 2.138 10.099 199 3HD1 ILE 30 3HD1 ILE 30 6.723 0.533 9.932 200 H ILE 31 H ILE 31 1.584 0.342 11.113 201 HA ILE 31 HA ILE 31 2.932 1.420 13.401 202 HB ILE 31 HB ILE 31 0.123 1.886 12.398 203 2HG1 ILE 31 2HG1 ILE 31 1.257 4.006 11.445 204 1HG2 ILE 31 1HG2 ILE 31 1.623 3.992 13.840 205 2HG2 ILE 31 2HG2 ILE 31 -0.097 3.541 13.912 206 3HG2 ILE 31 3HG2 ILE 31 1.111 2.591 14.812 207 1HD1 ILE 31 1HD1 ILE 31 3.625 2.090 11.672 208 2HD1 ILE 31 2HD1 ILE 31 3.594 3.554 10.658 209 3HD1 ILE 31 3HD1 ILE 31 3.490 3.695 12.430 210 H CYS 32 H CYS 32 -0.488 0.271 13.242 211 HA CYS 32 HA CYS 32 -0.081 -0.882 15.870 212 2HB CYS 32 2HB CYS 32 -2.560 -0.234 14.259 213 HG CYS 32 HG CYS 32 -2.662 -1.128 17.380 214 H GLY 33 H GLY 33 -1.405 -1.736 12.591 215 1HA GLY 33 1HA GLY 33 -0.367 -3.886 11.768 216 2HA GLY 33 2HA GLY 33 -0.983 -4.584 13.253 217 H ARG 34 H ARG 34 -2.652 -2.019 11.371 218 HA ARG 34 HA ARG 34 -4.892 -3.801 11.163 219 2HB ARG 34 2HB ARG 34 -4.720 -1.117 11.702 220 2HG ARG 34 2HG ARG 34 -5.567 -1.322 8.775 221 2HD ARG 34 2HD ARG 34 -6.117 0.935 8.890 222 HE ARG 34 HE ARG 34 -6.543 0.677 11.789 223 1HH1 ARG 34 1HH1 ARG 34 -7.735 -0.208 8.572 224 2HH1 ARG 34 2HH1 ARG 34 -9.342 -0.542 9.124 225 2HH2 ARG 34 2HH2 ARG 34 -9.866 -0.273 11.447 226 H THR 35 H THR 35 -5.994 -4.227 9.093 227 HA THR 35 HA THR 35 -4.169 -4.686 6.968 228 HB THR 35 HB THR 35 -7.225 -4.854 7.134 229 HG1 THR 35 HG1 THR 35 -5.649 -6.071 8.654 230 1HG2 THR 35 1HG2 THR 35 -7.157 -5.704 5.016 231 2HG2 THR 35 2HG2 THR 35 -5.431 -5.280 4.922 232 3HG2 THR 35 3HG2 THR 35 -5.922 -6.881 5.523 233 H VAL 36 H VAL 36 -3.535 -3.431 5.330 234 HA VAL 36 HA VAL 36 -5.120 -0.997 4.882 235 HB VAL 36 HB VAL 36 -2.951 -0.079 4.008 236 1HG1 VAL 36 1HG1 VAL 36 -2.302 -0.693 6.813 237 2HG1 VAL 36 2HG1 VAL 36 -2.615 0.869 6.020 238 3HG1 VAL 36 3HG1 VAL 36 -3.976 -0.144 6.560 239 1HG2 VAL 36 1HG2 VAL 36 -0.914 -1.154 4.297 240 2HG2 VAL 36 2HG2 VAL 36 -1.547 -2.248 5.550 241 3HG2 VAL 36 3HG2 VAL 36 -1.980 -2.506 3.843 242 H ALA 37 H ALA 37 -3.514 -3.856 3.495 243 HA ALA 37 HA ALA 37 -5.063 -3.454 1.080 244 1HB ALA 37 1HB ALA 37 -3.123 -2.322 0.351 245 2HB ALA 37 2HB ALA 37 -2.037 -3.443 1.207 246 3HB ALA 37 3HB ALA 37 -2.901 -3.982 -0.252 247 H GLU 38 H GLU 38 -5.701 -5.412 0.177 248 HA GLU 38 HA GLU 38 -4.446 -7.770 1.336 249 2HB GLU 38 2HB GLU 38 -7.211 -8.350 0.816 250 2HG GLU 38 2HG GLU 38 -6.340 -7.901 3.628 251 HE2 GLU 38 HE2 GLU 38 -8.841 -9.050 3.813 252 HA PRO 39 HA PRO 39 -4.291 -8.851 -2.884 253 2HB PRO 39 2HB PRO 39 -2.263 -9.907 -2.609 254 2HG PRO 39 2HG PRO 39 -1.755 -10.466 -0.430 255 2HD PRO 39 2HD PRO 39 -3.047 -8.933 0.696 256 H THR 40 H THR 40 -6.375 -8.813 -3.627 257 HA THR 40 HA THR 40 -8.179 -10.853 -2.816 258 HB THR 40 HB THR 40 -9.645 -9.743 -4.474 259 HG1 THR 40 HG1 THR 40 -8.622 -8.692 -6.156 260 1HG2 THR 40 1HG2 THR 40 -7.864 -7.514 -3.409 261 2HG2 THR 40 2HG2 THR 40 -9.628 -7.501 -3.643 262 3HG2 THR 40 3HG2 THR 40 -8.913 -8.441 -2.310 263 H GLY 41 H GLY 41 -5.451 -10.978 -4.795 264 1HA GLY 41 1HA GLY 41 -4.995 -13.257 -5.573 265 2HA GLY 41 2HA GLY 41 -6.596 -13.265 -6.284 266 H GLY 42 H GLY 42 -7.072 -11.442 -7.926 267 1HA GLY 42 1HA GLY 42 -4.804 -11.306 -9.756 268 2HA GLY 42 2HA GLY 42 -6.485 -10.955 -10.106 269 H LYS 43 H LYS 43 -3.472 -9.706 -8.647 270 HA LYS 43 HA LYS 43 -2.709 -7.636 -8.461 271 2HB LYS 43 2HB LYS 43 -4.685 -5.895 -9.443 272 2HG LYS 43 2HG LYS 43 -2.057 -7.019 -10.255 273 2HD LYS 43 2HD LYS 43 -2.280 -5.964 -12.565 274 2HE LYS 43 2HE LYS 43 -4.206 -8.296 -12.200 275 1HZ LYS 43 1HZ LYS 43 -2.286 -8.495 -14.263 276 2HZ LYS 43 2HZ LYS 43 -3.907 -8.449 -14.407 277 H GLY 44 H GLY 44 -2.767 -7.792 -6.187 278 1HA GLY 44 1HA GLY 44 -4.778 -7.701 -4.438 279 2HA GLY 44 2HA GLY 44 -3.274 -6.838 -4.187 280 H ASN 45 H ASN 45 -5.870 -6.009 -3.182 281 HA ASN 45 HA ASN 45 -6.300 -3.644 -4.832 282 2HB ASN 45 2HB ASN 45 -8.334 -4.136 -2.755 283 1HD2 ASN 45 1HD2 ASN 45 -8.915 -5.510 -5.820 284 2HD2 ASN 45 2HD2 ASN 45 -9.711 -4.175 -6.586 285 H ILE 46 H ILE 46 -5.900 -1.631 -3.832 286 HA ILE 46 HA ILE 46 -4.789 -1.725 -1.169 287 HB ILE 46 HB ILE 46 -5.079 0.551 -3.134 288 2HG1 ILE 46 2HG1 ILE 46 -3.655 -0.908 -4.228 289 1HG2 ILE 46 1HG2 ILE 46 -4.620 0.741 -0.436 290 2HG2 ILE 46 2HG2 ILE 46 -2.969 0.687 -1.099 291 3HG2 ILE 46 3HG2 ILE 46 -4.114 1.929 -1.661 292 1HD1 ILE 46 1HD1 ILE 46 -1.451 0.148 -2.508 293 2HD1 ILE 46 2HD1 ILE 46 -1.658 0.234 -4.274 294 3HD1 ILE 46 3HD1 ILE 46 -2.539 1.365 -3.219 295 H LYS 47 H LYS 47 -6.106 -1.655 0.567 296 HA LYS 47 HA LYS 47 -8.692 -0.361 0.263 297 2HB LYS 47 2HB LYS 47 -9.390 -1.598 2.112 298 2HG LYS 47 2HG LYS 47 -7.335 -3.624 1.410 299 2HD LYS 47 2HD LYS 47 -10.353 -3.510 0.947 300 2HE LYS 47 2HE LYS 47 -9.056 -6.100 1.509 301 1HZ LYS 47 1HZ LYS 47 -10.343 -6.533 -0.639 302 2HZ LYS 47 2HZ LYS 47 -11.238 -6.097 0.650 303 H ALA 48 H ALA 48 -6.372 1.339 0.135 304 HA ALA 48 HA ALA 48 -6.995 3.010 2.429 305 1HB ALA 48 1HB ALA 48 -4.121 2.377 1.667 306 2HB ALA 48 2HB ALA 48 -4.700 3.315 3.065 307 3HB ALA 48 3HB ALA 48 -4.984 1.559 2.993 308 H GLU 49 H GLU 49 -6.140 5.280 2.072 309 HA GLU 49 HA GLU 49 -6.711 5.985 -0.605 310 2HB GLU 49 2HB GLU 49 -5.829 7.617 1.811 311 2HG GLU 49 2HG GLU 49 -6.556 8.429 -1.023 312 HE2 GLU 49 HE2 GLU 49 -8.356 11.150 -0.077 313 H ILE 50 H ILE 50 -5.300 6.247 -2.289 314 HA ILE 50 HA ILE 50 -2.480 5.953 -1.703 315 HB ILE 50 HB ILE 50 -3.971 6.087 -4.327 316 2HG1 ILE 50 2HG1 ILE 50 -4.765 4.141 -3.334 317 1HG2 ILE 50 1HG2 ILE 50 -1.143 5.147 -3.791 318 2HG2 ILE 50 2HG2 ILE 50 -1.964 5.285 -5.364 319 3HG2 ILE 50 3HG2 ILE 50 -1.570 6.750 -4.435 320 1HD1 ILE 50 1HD1 ILE 50 -3.432 3.772 -5.528 321 2HD1 ILE 50 2HD1 ILE 50 -2.158 3.088 -4.489 322 3HD1 ILE 50 3HD1 ILE 50 -3.770 2.336 -4.532 323 H ILE 51 H ILE 51 -0.865 7.483 -2.252 324 HA ILE 51 HA ILE 51 -1.939 10.197 -2.465 325 HB ILE 51 HB ILE 51 0.525 9.002 -1.261 326 2HG1 ILE 51 2HG1 ILE 51 -1.683 10.844 -0.334 327 1HG2 ILE 51 1HG2 ILE 51 1.435 10.716 -2.683 328 2HG2 ILE 51 2HG2 ILE 51 0.214 11.887 -2.130 329 3HG2 ILE 51 3HG2 ILE 51 1.453 11.291 -0.999 330 1HD1 ILE 51 1HD1 ILE 51 -0.856 8.019 0.070 331 2HD1 ILE 51 2HD1 ILE 51 -1.229 8.902 1.570 332 3HD1 ILE 51 3HD1 ILE 51 -2.451 8.778 0.281 333 H GLU 52 H GLU 52 0.665 8.024 -3.747 334 HA GLU 52 HA GLU 52 0.264 8.532 -6.342 335 2HB GLU 52 2HB GLU 52 2.567 10.262 -6.141 336 2HG GLU 52 2HG GLU 52 1.053 11.828 -7.374 337 HE2 GLU 52 HE2 GLU 52 1.784 10.587 -10.065 338 H TYR 53 H TYR 53 2.813 8.602 -7.497 339 HA TYR 53 HA TYR 53 3.799 6.055 -6.740 340 2HB TYR 53 2HB TYR 53 5.584 6.856 -8.490 341 HD1 TYR 53 HD1 TYR 53 3.521 4.817 -8.507 342 HD2 TYR 53 HD2 TYR 53 3.627 8.559 -10.578 343 HE1 TYR 53 HE1 TYR 53 1.965 3.884 -10.287 344 HE2 TYR 53 HE2 TYR 53 2.071 7.613 -12.352 345 HH TYR 53 HH TYR 53 0.671 4.393 -11.988 346 H VAL 54 H VAL 54 5.683 5.462 -5.652 347 HA VAL 54 HA VAL 54 6.662 7.367 -3.785 348 HB VAL 54 HB VAL 54 8.049 4.782 -4.298 349 1HG1 VAL 54 1HG1 VAL 54 8.870 5.407 -2.312 350 2HG1 VAL 54 2HG1 VAL 54 7.621 6.656 -2.100 351 3HG1 VAL 54 3HG1 VAL 54 7.284 4.973 -1.628 352 1HG2 VAL 54 1HG2 VAL 54 5.136 5.049 -3.764 353 2HG2 VAL 54 2HG2 VAL 54 6.048 3.732 -4.539 354 3HG2 VAL 54 3HG2 VAL 54 6.022 3.872 -2.765 355 H ASP 55 H ASP 55 9.080 7.765 -3.502 356 HA ASP 55 HA ASP 55 10.096 8.482 -6.111 357 2HB ASP 55 2HB ASP 55 10.707 9.332 -3.262 358 HD2 ASP 55 HD2 ASP 55 13.361 10.978 -3.523 359 H GLN 56 H GLN 56 12.008 7.922 -3.110 360 HA GLN 56 HA GLN 56 13.954 6.480 -4.456 361 2HB GLN 56 2HB GLN 56 14.697 7.536 -2.500 362 2HG GLN 56 2HG GLN 56 12.087 6.558 -1.371 363 1HE2 GLN 56 1HE2 GLN 56 14.072 8.636 0.458 364 2HE2 GLN 56 2HE2 GLN 56 14.477 7.570 1.762 365 H ILE 57 H ILE 57 13.150 4.671 -5.581 366 HA ILE 57 HA ILE 57 11.334 2.854 -4.470 367 HB ILE 57 HB ILE 57 13.340 2.432 -6.688 368 2HG1 ILE 57 2HG1 ILE 57 11.861 4.485 -6.898 369 1HG2 ILE 57 1HG2 ILE 57 11.483 0.862 -7.493 370 2HG2 ILE 57 2HG2 ILE 57 12.494 0.320 -6.133 371 3HG2 ILE 57 3HG2 ILE 57 10.858 0.950 -5.828 372 1HD1 ILE 57 1HD1 ILE 57 11.233 3.968 -9.235 373 2HD1 ILE 57 2HD1 ILE 57 12.854 3.327 -8.871 374 3HD1 ILE 57 3HD1 ILE 57 11.453 2.230 -8.918 375 H GLU 58 H GLU 58 11.960 0.402 -4.246 376 HA GLU 58 HA GLU 58 13.975 0.374 -2.208 377 2HB GLU 58 2HB GLU 58 12.195 -1.898 -3.191 378 2HG GLU 58 2HG GLU 58 14.150 -1.534 -0.959 379 HE2 GLU 58 HE2 GLU 58 11.289 -3.965 0.001 Start of MODEL 20 1 1H MET 1 1H MET 1 9.492 -5.932 -17.608 2 HA MET 1 HA MET 1 9.927 -3.995 -16.547 3 2HB MET 1 2HB MET 1 6.978 -3.650 -15.835 4 2HG MET 1 2HG MET 1 9.433 -1.891 -15.998 5 1HE MET 1 1HE MET 1 8.428 0.838 -18.154 6 2HE MET 1 2HE MET 1 9.352 0.830 -16.633 7 3HE MET 1 3HE MET 1 9.510 -0.524 -17.777 8 H HIS 2 H HIS 2 10.297 -3.578 -14.254 9 HA HIS 2 HA HIS 2 9.622 -5.910 -12.669 10 2HB HIS 2 2HB HIS 2 11.291 -4.164 -11.209 11 HD1 HIS 2 HD1 HIS 2 13.766 -5.669 -13.143 12 HD2 HIS 2 HD2 HIS 2 10.772 -7.248 -10.666 13 HE1 HIS 2 HE1 HIS 2 14.533 -8.016 -12.502 14 H SER 3 H SER 3 8.445 -5.833 -10.731 15 HA SER 3 HA SER 3 6.340 -4.282 -10.517 16 2HB SER 3 2HB SER 3 7.224 -4.543 -7.818 17 HG SER 3 HG SER 3 5.170 -5.278 -9.184 18 H ARG 4 H ARG 4 5.718 -2.253 -9.592 19 HA ARG 4 HA ARG 4 7.988 -0.484 -9.216 20 2HB ARG 4 2HB ARG 4 5.356 0.826 -9.395 21 2HG ARG 4 2HG ARG 4 8.005 0.900 -10.873 22 2HD ARG 4 2HD ARG 4 5.783 2.813 -11.593 23 HE ARG 4 HE ARG 4 8.421 2.234 -12.561 24 1HH1 ARG 4 1HH1 ARG 4 5.191 3.032 -13.778 25 2HH1 ARG 4 2HH1 ARG 4 5.784 3.767 -15.230 26 2HH2 ARG 4 2HH2 ARG 4 8.147 3.855 -15.621 27 H PHE 5 H PHE 5 7.364 1.484 -7.644 28 HA PHE 5 HA PHE 5 6.295 0.232 -5.227 29 2HB PHE 5 2HB PHE 5 8.483 1.088 -4.813 30 HD1 PHE 5 HD1 PHE 5 10.266 1.527 -6.201 31 HD2 PHE 5 HD2 PHE 5 6.907 4.115 -6.338 32 HE1 PHE 5 HE1 PHE 5 11.467 2.998 -7.843 33 HE2 PHE 5 HE2 PHE 5 8.107 5.586 -7.981 34 HZ PHE 5 HZ PHE 5 10.372 5.010 -8.714 35 H VAL 6 H VAL 6 4.803 1.394 -3.861 36 HA VAL 6 HA VAL 6 3.640 3.803 -4.996 37 HB VAL 6 HB VAL 6 2.127 2.487 -6.035 38 1HG1 VAL 6 1HG1 VAL 6 2.485 0.384 -3.874 39 2HG1 VAL 6 2HG1 VAL 6 1.435 0.228 -5.303 40 3HG1 VAL 6 3HG1 VAL 6 3.198 0.362 -5.504 41 1HG2 VAL 6 1HG2 VAL 6 0.975 3.779 -4.191 42 2HG2 VAL 6 2HG2 VAL 6 0.076 2.378 -4.818 43 3HG2 VAL 6 3HG2 VAL 6 0.929 2.264 -3.259 44 H LYS 7 H LYS 7 3.309 5.262 -3.391 45 HA LYS 7 HA LYS 7 3.541 4.267 -0.664 46 2HB LYS 7 2HB LYS 7 4.116 6.822 -2.068 47 2HG LYS 7 2HG LYS 7 3.233 6.658 0.852 48 2HD LYS 7 2HD LYS 7 3.763 9.181 0.738 49 2HE LYS 7 2HE LYS 7 6.251 7.464 0.409 50 1HZ LYS 7 1HZ LYS 7 7.184 9.094 1.660 51 2HZ LYS 7 2HZ LYS 7 5.939 10.024 1.173 52 H VAL 8 H VAL 8 1.774 3.923 0.563 53 HA VAL 8 HA VAL 8 -0.659 5.383 -0.204 54 HB VAL 8 HB VAL 8 -1.831 3.367 0.797 55 1HG1 VAL 8 1HG1 VAL 8 -0.289 2.548 -1.650 56 2HG1 VAL 8 2HG1 VAL 8 -2.022 2.368 -1.283 57 3HG1 VAL 8 3HG1 VAL 8 -1.364 3.964 -1.718 58 1HG2 VAL 8 1HG2 VAL 8 -0.729 1.390 1.234 59 2HG2 VAL 8 2HG2 VAL 8 0.641 1.787 0.171 60 3HG2 VAL 8 3HG2 VAL 8 0.494 2.569 1.763 61 H LYS 9 H LYS 9 -2.243 5.543 1.730 62 HA LYS 9 HA LYS 9 -0.756 5.793 4.236 63 2HB LYS 9 2HB LYS 9 -2.138 7.972 2.717 64 2HG LYS 9 2HG LYS 9 -2.317 7.449 5.666 65 2HD LYS 9 2HD LYS 9 -1.161 9.917 4.499 66 2HE LYS 9 2HE LYS 9 -3.121 10.401 6.729 67 1HZ LYS 9 1HZ LYS 9 -1.540 11.911 4.910 68 2HZ LYS 9 2HZ LYS 9 -3.094 12.385 4.807 69 H CYS 10 H CYS 10 -1.912 5.174 6.044 70 HA CYS 10 HA CYS 10 -4.253 3.679 5.556 71 2HB CYS 10 2HB CYS 10 -3.577 4.438 8.352 72 HG CYS 10 HG CYS 10 -5.118 2.654 8.699 73 HA PRO 11 HA PRO 11 -7.021 7.037 6.051 74 2HB PRO 11 2HB PRO 11 -8.481 6.159 4.502 75 2HG PRO 11 2HG PRO 11 -8.189 3.913 4.067 76 2HD PRO 11 2HD PRO 11 -5.982 3.666 4.662 77 H ASP 12 H ASP 12 -7.283 4.189 8.048 78 HA ASP 12 HA ASP 12 -8.784 5.650 9.986 79 2HB ASP 12 2HB ASP 12 -7.472 3.095 10.780 80 HD2 ASP 12 HD2 ASP 12 -10.606 4.913 10.648 81 H CYS 13 H CYS 13 -5.450 4.370 9.457 82 HA CYS 13 HA CYS 13 -4.544 5.193 12.034 83 2HB CYS 13 2HB CYS 13 -2.471 4.705 10.014 84 HG CYS 13 HG CYS 13 -1.222 4.106 11.924 85 H GLU 14 H GLU 14 -4.781 6.492 8.731 86 HA GLU 14 HA GLU 14 -4.460 8.482 7.918 87 2HB GLU 14 2HB GLU 14 -4.160 10.460 9.483 88 2HG GLU 14 2HG GLU 14 -6.340 8.783 10.688 89 HE2 GLU 14 HE2 GLU 14 -6.270 10.667 11.954 90 H HIS 15 H HIS 15 -2.164 6.534 9.049 91 HA HIS 15 HA HIS 15 0.031 8.430 8.816 92 2HB HIS 15 2HB HIS 15 0.115 5.496 9.566 93 HD1 HIS 15 HD1 HIS 15 2.453 5.635 8.115 94 HD2 HIS 15 HD2 HIS 15 2.248 7.890 11.647 95 HE1 HIS 15 HE1 HIS 15 4.861 6.203 8.742 96 H GLU 16 H GLU 16 1.784 8.060 7.296 97 HA GLU 16 HA GLU 16 0.753 6.913 4.870 98 2HB GLU 16 2HB GLU 16 2.842 7.938 3.867 99 2HG GLU 16 2HG GLU 16 0.900 9.596 5.515 100 HE2 GLU 16 HE2 GLU 16 0.887 11.749 3.929 101 H GLN 17 H GLN 17 1.613 5.106 3.790 102 HA GLN 17 HA GLN 17 3.940 3.878 4.987 103 2HB GLN 17 2HB GLN 17 2.212 1.703 4.462 104 2HG GLN 17 2HG GLN 17 2.113 2.176 7.234 105 1HE2 GLN 17 1HE2 GLN 17 1.753 -0.039 6.691 106 2HE2 GLN 17 2HE2 GLN 17 3.076 -1.137 6.491 107 H VAL 18 H VAL 18 4.847 2.108 3.554 108 HA VAL 18 HA VAL 18 4.069 2.598 0.762 109 HB VAL 18 HB VAL 18 6.816 2.024 1.892 110 1HG1 VAL 18 1HG1 VAL 18 5.822 2.511 -0.928 111 2HG1 VAL 18 2HG1 VAL 18 7.531 2.675 -0.458 112 3HG1 VAL 18 3HG1 VAL 18 6.710 1.103 -0.299 113 1HG2 VAL 18 1HG2 VAL 18 5.335 4.517 1.505 114 2HG2 VAL 18 2HG2 VAL 18 6.849 4.209 2.389 115 3HG2 VAL 18 3HG2 VAL 18 6.886 4.498 0.633 116 H ILE 19 H ILE 19 3.212 0.844 -0.215 117 HA ILE 19 HA ILE 19 4.209 -1.773 0.633 118 HB ILE 19 HB ILE 19 1.931 -2.662 0.578 119 2HG1 ILE 19 2HG1 ILE 19 1.289 -0.258 -0.705 120 1HG2 ILE 19 1HG2 ILE 19 2.420 -2.374 2.761 121 2HG2 ILE 19 2HG2 ILE 19 2.873 -0.666 2.554 122 3HG2 ILE 19 3HG2 ILE 19 1.157 -1.125 2.656 123 1HD1 ILE 19 1HD1 ILE 19 -1.145 -1.329 -0.160 124 2HD1 ILE 19 2HD1 ILE 19 -0.039 -2.027 -1.367 125 3HD1 ILE 19 3HD1 ILE 19 -0.117 -2.716 0.272 126 H PHE 20 H PHE 20 3.531 -3.505 -1.036 127 HA PHE 20 HA PHE 20 4.295 -2.480 -3.594 128 2HB PHE 20 2HB PHE 20 4.237 -4.928 -4.139 129 HD1 PHE 20 HD1 PHE 20 4.411 -5.909 -0.759 130 HD2 PHE 20 HD2 PHE 20 6.589 -3.839 -3.756 131 HE1 PHE 20 HE1 PHE 20 6.536 -6.297 0.517 132 HE2 PHE 20 HE2 PHE 20 8.715 -4.227 -2.478 133 HZ PHE 20 HZ PHE 20 8.663 -5.452 -0.356 134 H ASP 21 H ASP 21 3.092 -2.739 -5.593 135 HA ASP 21 HA ASP 21 0.324 -2.229 -5.168 136 2HB ASP 21 2HB ASP 21 1.622 -0.991 -6.877 137 HD2 ASP 21 HD2 ASP 21 4.038 -2.566 -8.479 138 H HIS 22 H HIS 22 2.308 -4.989 -5.537 139 HA HIS 22 HA HIS 22 -0.013 -6.601 -6.178 140 2HB HIS 22 2HB HIS 22 2.589 -6.780 -7.722 141 HD1 HIS 22 HD1 HIS 22 2.953 -9.319 -7.647 142 HD2 HIS 22 HD2 HIS 22 -0.947 -8.223 -8.736 143 HE1 HIS 22 HE1 HIS 22 1.812 -11.451 -8.460 144 HA PRO 23 HA PRO 23 2.697 -8.137 -2.847 145 2HB PRO 23 2HB PRO 23 2.136 -6.714 -1.126 146 2HG PRO 23 2HG PRO 23 0.350 -5.322 -1.571 147 2HD PRO 23 2HD PRO 23 0.433 -5.273 -3.868 148 H SER 24 H SER 24 2.492 -10.090 -1.421 149 HA SER 24 HA SER 24 0.528 -11.801 -2.732 150 2HB SER 24 2HB SER 24 3.182 -12.597 -1.453 151 HG SER 24 HG SER 24 1.804 -14.392 -1.478 152 H THR 25 H THR 25 1.961 -10.647 0.312 153 HA THR 25 HA THR 25 0.108 -12.370 1.812 154 HB THR 25 HB THR 25 1.807 -11.343 3.680 155 HG1 THR 25 HG1 THR 25 3.308 -10.254 2.455 156 1HG2 THR 25 1HG2 THR 25 1.540 -13.829 2.446 157 2HG2 THR 25 2HG2 THR 25 3.208 -13.374 2.025 158 3HG2 THR 25 3HG2 THR 25 2.713 -13.458 3.732 159 H ILE 26 H ILE 26 -0.909 -11.380 3.766 160 HA ILE 26 HA ILE 26 -2.319 -9.083 2.969 161 HB ILE 26 HB ILE 26 -2.115 -10.418 5.670 162 2HG1 ILE 26 2HG1 ILE 26 -2.809 -11.879 3.723 163 1HG2 ILE 26 1HG2 ILE 26 -3.029 -8.041 5.584 164 2HG2 ILE 26 2HG2 ILE 26 -4.388 -8.712 4.650 165 3HG2 ILE 26 3HG2 ILE 26 -4.077 -9.286 6.306 166 1HD1 ILE 26 1HD1 ILE 26 -5.012 -12.575 4.914 167 2HD1 ILE 26 2HD1 ILE 26 -3.513 -12.627 5.872 168 3HD1 ILE 26 3HD1 ILE 26 -4.646 -11.268 6.065 169 H VAL 27 H VAL 27 -2.143 -6.917 3.551 170 HA VAL 27 HA VAL 27 0.429 -6.235 4.770 171 HB VAL 27 HB VAL 27 -1.478 -4.481 3.217 172 1HG1 VAL 27 1HG1 VAL 27 1.488 -4.133 3.750 173 2HG1 VAL 27 2HG1 VAL 27 0.373 -2.966 2.996 174 3HG1 VAL 27 3HG1 VAL 27 0.202 -3.375 4.721 175 1HG2 VAL 27 1HG2 VAL 27 0.627 -4.925 1.527 176 2HG2 VAL 27 2HG2 VAL 27 0.447 -6.522 2.295 177 3HG2 VAL 27 3HG2 VAL 27 -0.934 -5.779 1.453 178 H LYS 28 H LYS 28 0.380 -5.820 6.914 179 HA LYS 28 HA LYS 28 -2.114 -4.709 7.987 180 2HB LYS 28 2HB LYS 28 -0.826 -5.550 10.187 181 2HG LYS 28 2HG LYS 28 -2.715 -6.844 8.253 182 2HD LYS 28 2HD LYS 28 -1.244 -8.339 10.465 183 2HE LYS 28 2HE LYS 28 -3.229 -10.004 9.302 184 1HZ LYS 28 1HZ LYS 28 -2.544 -8.957 11.897 185 2HZ LYS 28 2HZ LYS 28 -4.130 -9.310 11.766 186 H CYS 29 H CYS 29 -2.096 -2.776 9.125 187 HA CYS 29 HA CYS 29 -0.152 -0.941 8.482 188 2HB CYS 29 2HB CYS 29 -1.781 -0.633 10.992 189 HG CYS 29 HG CYS 29 -2.188 1.821 10.278 190 H ILE 30 H ILE 30 1.927 -0.674 9.228 191 HA ILE 30 HA ILE 30 2.962 -2.385 11.205 192 HB ILE 30 HB ILE 30 5.004 -1.029 10.939 193 2HG1 ILE 30 2HG1 ILE 30 3.308 1.040 10.283 194 1HG2 ILE 30 1HG2 ILE 30 3.520 -2.269 8.677 195 2HG2 ILE 30 2HG2 ILE 30 4.993 -1.349 8.286 196 3HG2 ILE 30 3HG2 ILE 30 5.073 -2.716 9.423 197 1HD1 ILE 30 1HD1 ILE 30 6.067 1.271 9.203 198 2HD1 ILE 30 2HD1 ILE 30 5.241 2.254 10.435 199 3HD1 ILE 30 3HD1 ILE 30 5.975 0.697 10.885 200 H ILE 31 H ILE 31 1.004 0.395 11.431 201 HA ILE 31 HA ILE 31 2.186 1.428 13.831 202 HB ILE 31 HB ILE 31 -0.490 2.003 12.552 203 2HG1 ILE 31 2HG1 ILE 31 0.855 4.106 11.797 204 1HG2 ILE 31 1HG2 ILE 31 1.119 3.618 14.550 205 2HG2 ILE 31 2HG2 ILE 31 -0.449 4.063 13.835 206 3HG2 ILE 31 3HG2 ILE 31 -0.333 2.659 14.923 207 1HD1 ILE 31 1HD1 ILE 31 3.204 3.620 11.263 208 2HD1 ILE 31 2HD1 ILE 31 2.954 3.469 13.019 209 3HD1 ILE 31 3HD1 ILE 31 3.065 2.008 12.008 210 H CYS 32 H CYS 32 -1.252 0.426 13.369 211 HA CYS 32 HA CYS 32 -1.161 -0.693 16.033 212 2HB CYS 32 2HB CYS 32 -3.418 -0.049 14.124 213 HG CYS 32 HG CYS 32 -4.114 -2.337 15.039 214 H GLY 33 H GLY 33 -2.088 -1.626 12.641 215 1HA GLY 33 1HA GLY 33 -1.011 -3.798 11.984 216 2HA GLY 33 2HA GLY 33 -1.759 -4.458 13.425 217 H ARG 34 H ARG 34 -3.311 -1.930 11.425 218 HA ARG 34 HA ARG 34 -5.475 -3.763 10.998 219 2HB ARG 34 2HB ARG 34 -5.417 -1.086 11.591 220 2HG ARG 34 2HG ARG 34 -6.171 -1.183 8.644 221 2HD ARG 34 2HD ARG 34 -6.416 1.136 8.817 222 HE ARG 34 HE ARG 34 -6.970 0.841 11.682 223 1HH1 ARG 34 1HH1 ARG 34 -8.132 0.111 8.415 224 2HH1 ARG 34 2HH1 ARG 34 -9.781 -0.081 8.911 225 2HH2 ARG 34 2HH2 ARG 34 -10.353 0.204 11.220 226 H THR 35 H THR 35 -6.343 -4.263 8.860 227 HA THR 35 HA THR 35 -4.376 -4.667 6.894 228 HB THR 35 HB THR 35 -7.421 -4.680 6.587 229 HG1 THR 35 HG1 THR 35 -7.001 -6.018 8.360 230 1HG2 THR 35 1HG2 THR 35 -6.399 -6.947 5.400 231 2HG2 THR 35 2HG2 THR 35 -6.740 -5.445 4.510 232 3HG2 THR 35 3HG2 THR 35 -5.088 -5.788 5.076 233 H VAL 36 H VAL 36 -3.544 -3.412 5.346 234 HA VAL 36 HA VAL 36 -4.998 -0.919 4.787 235 HB VAL 36 HB VAL 36 -2.634 -0.172 4.077 236 1HG1 VAL 36 1HG1 VAL 36 -4.060 -0.091 6.540 237 2HG1 VAL 36 2HG1 VAL 36 -2.335 -0.295 6.925 238 3HG1 VAL 36 3HG1 VAL 36 -2.866 1.070 5.913 239 1HG2 VAL 36 1HG2 VAL 36 -1.832 -2.383 5.992 240 2HG2 VAL 36 2HG2 VAL 36 -1.672 -2.491 4.222 241 3HG2 VAL 36 3HG2 VAL 36 -0.766 -1.254 5.124 242 H ALA 37 H ALA 37 -4.012 -3.985 3.610 243 HA ALA 37 HA ALA 37 -5.035 -3.391 1.029 244 1HB ALA 37 1HB ALA 37 -3.160 -3.023 -0.164 245 2HB ALA 37 2HB ALA 37 -2.318 -2.792 1.387 246 3HB ALA 37 3HB ALA 37 -2.323 -4.392 0.606 247 H GLU 38 H GLU 38 -5.764 -5.283 0.061 248 HA GLU 38 HA GLU 38 -4.903 -7.732 1.391 249 2HB GLU 38 2HB GLU 38 -7.542 -8.138 0.409 250 2HG GLU 38 2HG GLU 38 -7.133 -7.476 3.300 251 HE2 GLU 38 HE2 GLU 38 -9.752 -8.736 3.596 252 HA PRO 39 HA PRO 39 -4.089 -8.953 -2.709 253 2HB PRO 39 2HB PRO 39 -2.309 -10.253 -2.040 254 2HG PRO 39 2HG PRO 39 -2.318 -10.820 0.195 255 2HD PRO 39 2HD PRO 39 -3.596 -9.109 1.046 256 H THR 40 H THR 40 -6.624 -8.481 -2.645 257 HA THR 40 HA THR 40 -8.472 -10.417 -2.601 258 HB THR 40 HB THR 40 -8.853 -8.006 -3.146 259 HG1 THR 40 HG1 THR 40 -10.667 -8.819 -4.122 260 1HG2 THR 40 1HG2 THR 40 -8.433 -7.110 -5.324 261 2HG2 THR 40 2HG2 THR 40 -6.926 -7.974 -4.933 262 3HG2 THR 40 3HG2 THR 40 -8.125 -8.720 -6.017 263 H GLY 41 H GLY 41 -8.476 -12.467 -3.265 264 1HA GLY 41 1HA GLY 41 -8.151 -14.279 -4.554 265 2HA GLY 41 2HA GLY 41 -8.488 -13.227 -5.914 266 H GLY 42 H GLY 42 -6.807 -12.490 -7.253 267 1HA GLY 42 1HA GLY 42 -4.177 -13.691 -6.682 268 2HA GLY 42 2HA GLY 42 -4.813 -13.279 -8.262 269 H LYS 43 H LYS 43 -5.638 -10.730 -8.226 270 HA LYS 43 HA LYS 43 -3.208 -9.290 -7.990 271 2HB LYS 43 2HB LYS 43 -4.954 -8.946 -9.753 272 2HG LYS 43 2HG LYS 43 -6.428 -7.149 -7.847 273 2HD LYS 43 2HD LYS 43 -7.803 -8.931 -9.809 274 2HE LYS 43 2HE LYS 43 -8.843 -6.679 -10.408 275 1HZ LYS 43 1HZ LYS 43 -9.147 -8.176 -8.042 276 2HZ LYS 43 2HZ LYS 43 -9.378 -6.609 -7.667 277 H GLY 44 H GLY 44 -3.124 -7.114 -6.795 278 1HA GLY 44 1HA GLY 44 -4.255 -7.516 -4.093 279 2HA GLY 44 2HA GLY 44 -2.706 -6.775 -4.439 280 H ASN 45 H ASN 45 -5.605 -5.954 -3.298 281 HA ASN 45 HA ASN 45 -5.721 -3.492 -4.856 282 2HB ASN 45 2HB ASN 45 -8.039 -3.925 -3.119 283 1HD2 ASN 45 1HD2 ASN 45 -8.095 -5.278 -6.280 284 2HD2 ASN 45 2HD2 ASN 45 -8.762 -3.930 -7.141 285 H ILE 46 H ILE 46 -5.302 -1.578 -3.700 286 HA ILE 46 HA ILE 46 -4.605 -1.872 -0.915 287 HB ILE 46 HB ILE 46 -4.383 0.396 -2.891 288 2HG1 ILE 46 2HG1 ILE 46 -2.681 -1.860 -2.126 289 1HG2 ILE 46 1HG2 ILE 46 -3.950 1.849 -1.269 290 2HG2 ILE 46 2HG2 ILE 46 -4.544 0.639 -0.107 291 3HG2 ILE 46 3HG2 ILE 46 -2.807 0.730 -0.487 292 1HD1 ILE 46 1HD1 ILE 46 -1.718 -1.440 -4.272 293 2HD1 ILE 46 2HD1 ILE 46 -3.444 -1.049 -4.463 294 3HD1 ILE 46 3HD1 ILE 46 -2.252 0.258 -4.266 295 H LYS 47 H LYS 47 -6.093 -1.698 0.664 296 HA LYS 47 HA LYS 47 -8.565 -0.301 0.051 297 2HB LYS 47 2HB LYS 47 -9.532 -1.507 1.782 298 2HG LYS 47 2HG LYS 47 -7.417 -3.570 1.435 299 2HD LYS 47 2HD LYS 47 -10.072 -3.641 1.999 300 2HE LYS 47 2HE LYS 47 -9.801 -3.631 -1.017 301 1HZ LYS 47 1HZ LYS 47 -11.432 -5.442 0.588 302 2HZ LYS 47 2HZ LYS 47 -12.192 -4.720 -0.658 303 H ALA 48 H ALA 48 -6.313 1.394 0.109 304 HA ALA 48 HA ALA 48 -7.061 3.042 2.382 305 1HB ALA 48 1HB ALA 48 -5.217 2.084 3.428 306 2HB ALA 48 2HB ALA 48 -4.344 1.838 1.897 307 3HB ALA 48 3HB ALA 48 -4.463 3.468 2.601 308 H GLU 49 H GLU 49 -6.116 5.315 2.092 309 HA GLU 49 HA GLU 49 -6.637 6.073 -0.575 310 2HB GLU 49 2HB GLU 49 -5.694 7.648 1.858 311 2HG GLU 49 2HG GLU 49 -6.399 8.500 -0.967 312 HE2 GLU 49 HE2 GLU 49 -6.270 11.424 -0.426 313 H ILE 50 H ILE 50 -5.185 5.941 -2.226 314 HA ILE 50 HA ILE 50 -2.383 5.726 -1.610 315 HB ILE 50 HB ILE 50 -3.867 5.719 -4.241 316 2HG1 ILE 50 2HG1 ILE 50 -4.668 3.821 -3.221 317 1HG2 ILE 50 1HG2 ILE 50 -1.372 6.342 -4.221 318 2HG2 ILE 50 2HG2 ILE 50 -1.092 4.645 -3.762 319 3HG2 ILE 50 3HG2 ILE 50 -1.903 5.030 -5.299 320 1HD1 ILE 50 1HD1 ILE 50 -3.357 3.173 -5.258 321 2HD1 ILE 50 2HD1 ILE 50 -1.939 2.885 -4.220 322 3HD1 ILE 50 3HD1 ILE 50 -3.396 1.880 -4.034 323 H ILE 51 H ILE 51 -0.747 7.209 -2.148 324 HA ILE 51 HA ILE 51 -1.769 9.914 -2.580 325 HB ILE 51 HB ILE 51 0.578 8.737 -1.174 326 2HG1 ILE 51 2HG1 ILE 51 -1.537 10.808 -0.592 327 1HG2 ILE 51 1HG2 ILE 51 0.552 11.485 -2.444 328 2HG2 ILE 51 2HG2 ILE 51 1.644 11.006 -1.121 329 3HG2 ILE 51 3HG2 ILE 51 1.730 10.173 -2.692 330 1HD1 ILE 51 1HD1 ILE 51 -1.245 8.046 -0.058 331 2HD1 ILE 51 2HD1 ILE 51 -0.836 8.862 1.470 332 3HD1 ILE 51 3HD1 ILE 51 -2.411 9.160 0.695 333 H GLU 52 H GLU 52 0.808 7.609 -3.665 334 HA GLU 52 HA GLU 52 0.527 7.858 -6.268 335 2HB GLU 52 2HB GLU 52 2.616 9.721 -6.453 336 2HG GLU 52 2HG GLU 52 0.241 11.164 -6.901 337 HE2 GLU 52 HE2 GLU 52 0.288 8.731 -9.035 338 H TYR 53 H TYR 53 3.116 8.044 -7.355 339 HA TYR 53 HA TYR 53 4.278 5.679 -6.293 340 2HB TYR 53 2HB TYR 53 6.039 6.420 -8.092 341 HD1 TYR 53 HD1 TYR 53 2.809 7.675 -9.363 342 HD2 TYR 53 HD2 TYR 53 5.349 4.257 -8.945 343 HE1 TYR 53 HE1 TYR 53 1.388 6.404 -11.046 344 HE2 TYR 53 HE2 TYR 53 3.920 2.998 -10.630 345 HH TYR 53 HH TYR 53 1.640 4.563 -12.586 346 H VAL 54 H VAL 54 6.189 5.382 -5.124 347 HA VAL 54 HA VAL 54 7.034 7.704 -3.627 348 HB VAL 54 HB VAL 54 8.395 5.125 -3.232 349 1HG1 VAL 54 1HG1 VAL 54 8.795 6.583 -1.500 350 2HG1 VAL 54 2HG1 VAL 54 7.173 7.312 -1.588 351 3HG1 VAL 54 3HG1 VAL 54 7.390 5.707 -0.848 352 1HG2 VAL 54 1HG2 VAL 54 6.421 4.012 -3.732 353 2HG2 VAL 54 2HG2 VAL 54 6.248 4.300 -1.983 354 3HG2 VAL 54 3HG2 VAL 54 5.395 5.344 -3.145 355 H ASP 55 H ASP 55 9.603 7.649 -3.163 356 HA ASP 55 HA ASP 55 10.758 7.773 -5.829 357 2HB ASP 55 2HB ASP 55 12.250 8.948 -3.533 358 HD2 ASP 55 HD2 ASP 55 13.932 10.291 -5.415 359 H GLN 56 H GLN 56 10.742 6.103 -2.777 360 HA GLN 56 HA GLN 56 13.462 5.323 -2.800 361 2HB GLN 56 2HB GLN 56 12.190 3.478 -1.189 362 2HG GLN 56 2HG GLN 56 12.365 5.783 0.413 363 1HE2 GLN 56 1HE2 GLN 56 14.828 4.031 -1.474 364 2HE2 GLN 56 2HE2 GLN 56 15.538 3.159 -0.155 365 H ILE 57 H ILE 57 13.751 4.496 -4.982 366 HA ILE 57 HA ILE 57 12.149 2.462 -6.042 367 HB ILE 57 HB ILE 57 15.043 3.046 -6.664 368 2HG1 ILE 57 2HG1 ILE 57 13.127 4.966 -6.643 369 1HG2 ILE 57 1HG2 ILE 57 14.555 1.145 -7.859 370 2HG2 ILE 57 2HG2 ILE 57 12.835 1.562 -8.041 371 3HG2 ILE 57 3HG2 ILE 57 14.064 2.407 -9.013 372 1HD1 ILE 57 1HD1 ILE 57 15.727 4.816 -7.392 373 2HD1 ILE 57 2HD1 ILE 57 14.981 5.009 -8.996 374 3HD1 ILE 57 3HD1 ILE 57 14.713 6.238 -7.736 375 H GLU 58 H GLU 58 13.189 0.215 -6.646 376 HA GLU 58 HA GLU 58 13.553 -1.087 -4.189 377 2HB GLU 58 2HB GLU 58 14.260 -2.494 -6.738 378 2HG GLU 58 2HG GLU 58 11.996 -3.492 -5.189 379 HE2 GLU 58 HE2 GLU 58 12.073 -5.415 -6.036
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