NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20515 | 2fy9 | 6826 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 -10.595 4.886 -10.517 2 2H MET 1 HT2 MET 1 -9.389 3.952 -9.766 3 3H MET 1 HT3 MET 1 -10.415 3.246 -10.912 4 HA MET 1 HA MET 1 -8.305 3.632 -11.908 5 1HB MET 1 HB2 MET 1 -10.334 3.944 -13.280 6 2HB MET 1 HB1 MET 1 -10.360 5.647 -12.842 7 1HG MET 1 HG2 MET 1 -8.255 6.005 -13.983 8 2HG MET 1 HG1 MET 1 -8.145 4.286 -14.359 9 1HE MET 1 HE1 MET 1 -11.160 3.809 -16.816 10 2HE MET 1 HE2 MET 1 -11.164 3.595 -15.067 11 3HE MET 1 HE3 MET 1 -9.792 3.027 -16.020 12 H LYS 2 HN LYS 2 -6.459 4.563 -11.427 13 HA LYS 2 HA LYS 2 -6.323 7.437 -10.927 14 1HB LYS 2 HB2 LYS 2 -5.338 5.278 -9.056 15 2HB LYS 2 HB1 LYS 2 -4.717 6.924 -8.999 16 1HG LYS 2 HG2 LYS 2 -7.131 7.667 -8.700 17 2HG LYS 2 HG1 LYS 2 -7.505 5.960 -8.438 18 1HD LYS 2 HD2 LYS 2 -5.367 7.349 -6.849 19 2HD LYS 2 HD1 LYS 2 -7.070 7.440 -6.373 20 1HE LYS 2 HE2 LYS 2 -5.663 4.832 -6.869 21 2HE LYS 2 HE1 LYS 2 -5.676 5.622 -5.291 22 1HZ LYS 2 HZ1 LYS 2 -8.141 5.613 -5.447 23 2HZ LYS 2 HZ2 LYS 2 -7.458 4.072 -5.364 24 3HZ LYS 2 HZ3 LYS 2 -8.022 4.669 -6.849 25 H SER 3 HN SER 3 -3.599 7.469 -10.196 26 HA SER 3 HA SER 3 -2.215 7.527 -12.548 27 1HB SER 3 HB2 SER 3 -1.123 6.834 -9.807 28 2HB SER 3 HB1 SER 3 -0.158 7.398 -11.176 29 HG SER 3 HG SER 3 -1.865 9.224 -11.072 30 H ILE 4 HN ILE 4 -2.148 4.837 -10.204 31 HA ILE 4 HA ILE 4 -0.936 3.094 -12.181 32 HB ILE 4 HB ILE 4 -2.019 2.020 -9.614 33 1HG1 ILE 4 HG12 ILE 4 0.406 3.823 -9.836 34 2HG1 ILE 4 HG11 ILE 4 -1.020 4.081 -8.838 35 1HG2 ILE 4 HG21 ILE 4 0.545 1.569 -11.142 36 2HG2 ILE 4 HG22 ILE 4 -0.905 0.571 -11.243 37 3HG2 ILE 4 HG23 ILE 4 0.004 0.655 -9.734 38 1HD1 ILE 4 HD11 ILE 4 0.878 3.339 -7.513 39 2HD1 ILE 4 HD12 ILE 4 0.985 1.867 -8.480 40 3HD1 ILE 4 HD13 ILE 4 -0.433 2.161 -7.474 41 H GLY 5 HN GLY 5 -3.990 3.690 -10.615 42 1HA GLY 5 HA2 GLY 5 -6.130 3.290 -11.333 43 2HA GLY 5 HA1 GLY 5 -5.448 2.705 -12.847 44 H VAL 6 HN VAL 6 -4.339 1.257 -9.936 45 HA VAL 6 HA VAL 6 -5.956 -1.098 -10.604 46 HB VAL 6 HB VAL 6 -4.122 -2.504 -9.717 47 1HG1 VAL 6 HG11 VAL 6 -2.578 -2.175 -11.626 48 2HG1 VAL 6 HG12 VAL 6 -3.405 -0.658 -11.989 49 3HG1 VAL 6 HG13 VAL 6 -4.278 -2.187 -12.094 50 1HG2 VAL 6 HG21 VAL 6 -2.578 0.085 -9.628 51 2HG2 VAL 6 HG22 VAL 6 -1.894 -1.526 -9.406 52 3HG2 VAL 6 HG23 VAL 6 -3.058 -0.892 -8.240 53 H VAL 7 HN VAL 7 -7.146 -1.964 -9.122 54 HA VAL 7 HA VAL 7 -6.833 -1.098 -6.334 55 HB VAL 7 HB VAL 7 -8.935 -0.290 -7.307 56 1HG1 VAL 7 HG11 VAL 7 -9.563 -3.195 -7.807 57 2HG1 VAL 7 HG12 VAL 7 -9.265 -1.961 -9.030 58 3HG1 VAL 7 HG13 VAL 7 -10.692 -1.853 -8.000 59 1HG2 VAL 7 HG21 VAL 7 -10.503 -1.260 -5.661 60 2HG2 VAL 7 HG22 VAL 7 -8.950 -0.808 -4.956 61 3HG2 VAL 7 HG23 VAL 7 -9.303 -2.503 -5.293 62 H ARG 8 HN ARG 8 -6.920 -2.644 -4.740 63 HA ARG 8 HA ARG 8 -6.673 -5.411 -5.719 64 1HB ARG 8 HB2 ARG 8 -5.015 -3.832 -3.862 65 2HB ARG 8 HB1 ARG 8 -5.393 -5.464 -3.324 66 1HG ARG 8 HG2 ARG 8 -3.285 -5.449 -4.475 67 2HG ARG 8 HG1 ARG 8 -4.476 -6.341 -5.431 68 1HD ARG 8 HD2 ARG 8 -4.462 -3.547 -6.137 69 2HD ARG 8 HD1 ARG 8 -2.849 -4.235 -6.275 70 HE ARG 8 HE ARG 8 -5.182 -5.435 -7.629 71 1HH1 ARG 8 HH11 ARG 8 -1.876 -4.301 -7.613 72 2HH1 ARG 8 HH12 ARG 8 -1.599 -4.635 -9.298 73 1HH2 ARG 8 HH21 ARG 8 -4.825 -5.906 -9.873 74 2HH2 ARG 8 HH22 ARG 8 -3.265 -5.574 -10.562 75 H LYS 9 HN LYS 9 -7.158 -7.044 -4.096 76 HA LYS 9 HA LYS 9 -9.222 -6.169 -2.199 77 1HB LYS 9 HB2 LYS 9 -9.078 -8.854 -3.599 78 2HB LYS 9 HB1 LYS 9 -10.375 -8.280 -2.559 79 1HG LYS 9 HG2 LYS 9 -9.640 -7.232 -5.290 80 2HG LYS 9 HG1 LYS 9 -11.075 -8.160 -4.855 81 1HD LYS 9 HD2 LYS 9 -11.791 -6.315 -3.386 82 2HD LYS 9 HD1 LYS 9 -10.382 -5.377 -3.890 83 1HE LYS 9 HE2 LYS 9 -12.326 -4.660 -5.124 84 2HE LYS 9 HE1 LYS 9 -11.193 -5.459 -6.212 85 1HZ LYS 9 HZ1 LYS 9 -13.586 -6.075 -6.505 86 2HZ LYS 9 HZ2 LYS 9 -13.515 -6.850 -4.995 87 3HZ LYS 9 HZ3 LYS 9 -12.534 -7.385 -6.273 88 H VAL 10 HN VAL 10 -8.692 -6.533 -0.156 89 HA VAL 10 HA VAL 10 -6.280 -7.665 0.653 90 HB VAL 10 HB VAL 10 -8.842 -7.165 2.171 91 1HG1 VAL 10 HG11 VAL 10 -6.213 -8.082 3.323 92 2HG1 VAL 10 HG12 VAL 10 -7.693 -9.039 3.245 93 3HG1 VAL 10 HG13 VAL 10 -7.634 -7.584 4.240 94 1HG2 VAL 10 HG21 VAL 10 -6.149 -5.820 2.231 95 2HG2 VAL 10 HG22 VAL 10 -7.559 -5.363 3.187 96 3HG2 VAL 10 HG23 VAL 10 -7.596 -5.206 1.430 97 H ASP 11 HN ASP 11 -5.692 -9.658 1.345 98 HA ASP 11 HA ASP 11 -6.986 -11.918 0.306 99 1HB ASP 11 HB2 ASP 11 -4.611 -11.961 0.744 100 2HB ASP 11 HB1 ASP 11 -4.874 -11.642 2.454 101 H GLU 12 HN GLU 12 -6.352 -11.516 3.762 102 HA GLU 12 HA GLU 12 -9.179 -11.590 4.401 103 1HB GLU 12 HB2 GLU 12 -7.306 -13.631 5.634 104 2HB GLU 12 HB1 GLU 12 -9.026 -13.459 5.942 105 1HG GLU 12 HG2 GLU 12 -9.341 -14.004 3.459 106 2HG GLU 12 HG1 GLU 12 -7.653 -14.517 3.501 107 H LEU 13 HN LEU 13 -5.872 -11.706 5.588 108 HA LEU 13 HA LEU 13 -6.447 -10.366 8.053 109 1HB LEU 13 HB2 LEU 13 -3.726 -10.618 6.807 110 2HB LEU 13 HB1 LEU 13 -4.135 -10.536 8.509 111 HG LEU 13 HG LEU 13 -5.336 -12.838 7.966 112 1HD1 LEU 13 HD11 LEU 13 -3.878 -14.117 6.367 113 2HD1 LEU 13 HD12 LEU 13 -3.232 -12.563 5.824 114 3HD1 LEU 13 HD13 LEU 13 -4.947 -12.927 5.626 115 1HD2 LEU 13 HD21 LEU 13 -3.338 -13.975 8.736 116 2HD2 LEU 13 HD22 LEU 13 -3.547 -12.454 9.606 117 3HD2 LEU 13 HD23 LEU 13 -2.351 -12.575 8.312 118 H GLY 14 HN GLY 14 -4.796 -9.482 5.053 119 1HA GLY 14 HA2 GLY 14 -5.581 -6.875 4.814 120 2HA GLY 14 HA1 GLY 14 -4.216 -6.815 5.922 121 H ARG 15 HN ARG 15 -3.552 -9.402 4.122 122 HA ARG 15 HA ARG 15 -1.447 -8.130 2.717 123 1HB ARG 15 HB2 ARG 15 -2.491 -10.893 2.116 124 2HB ARG 15 HB1 ARG 15 -0.845 -10.298 1.966 125 1HG ARG 15 HG2 ARG 15 -0.721 -10.131 4.431 126 2HG ARG 15 HG1 ARG 15 -2.344 -10.836 4.520 127 1HD ARG 15 HD2 ARG 15 0.005 -12.174 3.187 128 2HD ARG 15 HD1 ARG 15 -0.493 -12.478 4.851 129 HE ARG 15 HE ARG 15 -2.743 -12.871 3.314 130 1HH1 ARG 15 HH11 ARG 15 0.471 -14.255 3.426 131 2HH1 ARG 15 HH12 ARG 15 -0.067 -15.837 2.958 132 1HH2 ARG 15 HH21 ARG 15 -3.453 -14.930 2.691 133 2HH2 ARG 15 HH22 ARG 15 -2.298 -16.221 2.530 134 H ILE 16 HN ILE 16 -1.324 -7.418 0.644 135 HA ILE 16 HA ILE 16 -3.294 -8.348 -1.309 136 HB ILE 16 HB ILE 16 -4.060 -6.298 -2.027 137 1HG1 ILE 16 HG12 ILE 16 -1.583 -5.076 -0.810 138 2HG1 ILE 16 HG11 ILE 16 -2.023 -5.195 -2.519 139 1HG2 ILE 16 HG21 ILE 16 -3.552 -5.779 0.897 140 2HG2 ILE 16 HG22 ILE 16 -4.928 -6.640 0.209 141 3HG2 ILE 16 HG23 ILE 16 -4.716 -4.919 -0.111 142 1HD1 ILE 16 HD11 ILE 16 -2.298 -2.928 -1.740 143 2HD1 ILE 16 HD12 ILE 16 -3.360 -3.471 -0.439 144 3HD1 ILE 16 HD13 ILE 16 -3.874 -3.626 -2.120 145 H VAL 17 HN VAL 17 -2.512 -7.174 -3.556 146 HA VAL 17 HA VAL 17 0.353 -7.802 -3.679 147 HB VAL 17 HB VAL 17 -0.863 -9.367 -5.019 148 1HG1 VAL 17 HG11 VAL 17 -2.941 -8.122 -5.318 149 2HG1 VAL 17 HG12 VAL 17 -2.330 -8.720 -6.860 150 3HG1 VAL 17 HG13 VAL 17 -2.129 -7.021 -6.431 151 1HG2 VAL 17 HG21 VAL 17 0.082 -8.957 -7.245 152 2HG2 VAL 17 HG22 VAL 17 1.238 -8.598 -5.963 153 3HG2 VAL 17 HG23 VAL 17 0.406 -7.283 -6.792 154 H MET 18 HN MET 18 1.560 -6.043 -3.707 155 HA MET 18 HA MET 18 0.579 -3.583 -4.891 156 1HB MET 18 HB2 MET 18 3.300 -4.180 -3.709 157 2HB MET 18 HB1 MET 18 2.686 -2.590 -4.140 158 1HG MET 18 HG2 MET 18 1.825 -4.382 -1.897 159 2HG MET 18 HG1 MET 18 2.480 -2.749 -1.813 160 1HE MET 18 HE1 MET 18 0.888 -1.150 -3.962 161 2HE MET 18 HE2 MET 18 1.126 -0.571 -2.312 162 3HE MET 18 HE3 MET 18 -0.488 -0.565 -3.025 163 HA PRO 19 HA PRO 19 2.120 -4.443 -8.805 164 1HB PRO 19 HB2 PRO 19 2.321 -2.013 -9.924 165 2HB PRO 19 HB1 PRO 19 0.765 -2.700 -9.447 166 1HG PRO 19 HG2 PRO 19 2.420 -0.628 -8.095 167 2HG PRO 19 HG1 PRO 19 0.657 -0.762 -8.211 168 1HD PRO 19 HD2 PRO 19 2.197 -1.513 -6.013 169 2HD PRO 19 HD1 PRO 19 0.533 -2.033 -6.332 170 H ILE 20 HN ILE 20 3.837 -4.510 -10.226 171 HA ILE 20 HA ILE 20 6.457 -4.237 -9.405 172 HB ILE 20 HB ILE 20 5.994 -5.478 -11.378 173 1HG1 ILE 20 HG12 ILE 20 7.472 -4.378 -13.102 174 2HG1 ILE 20 HG11 ILE 20 7.516 -2.961 -12.058 175 1HG2 ILE 20 HG21 ILE 20 4.861 -2.943 -12.545 176 2HG2 ILE 20 HG22 ILE 20 3.986 -4.417 -12.133 177 3HG2 ILE 20 HG23 ILE 20 5.146 -4.425 -13.460 178 1HD1 ILE 20 HD11 ILE 20 8.539 -4.291 -10.296 179 2HD1 ILE 20 HD12 ILE 20 9.494 -4.321 -11.778 180 3HD1 ILE 20 HD13 ILE 20 8.498 -5.710 -11.344 181 H GLU 21 HN GLU 21 4.275 -1.904 -10.797 182 HA GLU 21 HA GLU 21 6.026 0.199 -11.353 183 1HB GLU 21 HB2 GLU 21 3.195 0.474 -10.338 184 2HB GLU 21 HB1 GLU 21 4.064 1.566 -11.411 185 1HG GLU 21 HG2 GLU 21 3.310 -1.263 -12.085 186 2HG GLU 21 HG1 GLU 21 2.395 0.168 -12.568 187 H LEU 22 HN LEU 22 4.774 -0.995 -8.340 188 HA LEU 22 HA LEU 22 5.441 1.369 -6.833 189 1HB LEU 22 HB2 LEU 22 3.865 0.343 -5.587 190 2HB LEU 22 HB1 LEU 22 4.166 -1.216 -6.325 191 HG LEU 22 HG LEU 22 6.208 -0.295 -4.386 192 1HD1 LEU 22 HD11 LEU 22 4.861 -0.977 -2.472 193 2HD1 LEU 22 HD12 LEU 22 3.461 -1.184 -3.524 194 3HD1 LEU 22 HD13 LEU 22 4.153 0.420 -3.285 195 1HD2 LEU 22 HD21 LEU 22 6.286 -2.485 -5.542 196 2HD2 LEU 22 HD22 LEU 22 4.758 -2.916 -4.768 197 3HD2 LEU 22 HD23 LEU 22 6.198 -2.640 -3.786 198 H ARG 23 HN ARG 23 6.758 -1.837 -7.452 199 HA ARG 23 HA ARG 23 9.090 -1.532 -5.861 200 1HB ARG 23 HB2 ARG 23 8.886 -3.158 -8.407 201 2HB ARG 23 HB1 ARG 23 10.091 -3.335 -7.146 202 1HG ARG 23 HG2 ARG 23 8.168 -3.891 -5.596 203 2HG ARG 23 HG1 ARG 23 7.179 -4.055 -7.049 204 1HD ARG 23 HD2 ARG 23 9.510 -5.715 -6.131 205 2HD ARG 23 HD1 ARG 23 7.910 -6.235 -6.659 206 HE ARG 23 HE ARG 23 9.503 -4.999 -8.725 207 1HH1 ARG 23 HH11 ARG 23 8.646 -7.979 -7.118 208 2HH1 ARG 23 HH12 ARG 23 9.248 -8.995 -8.380 209 1HH2 ARG 23 HH21 ARG 23 10.329 -6.348 -10.401 210 2HH2 ARG 23 HH22 ARG 23 10.182 -8.076 -10.262 211 H ARG 24 HN ARG 24 8.212 -0.406 -9.000 212 HA ARG 24 HA ARG 24 10.891 0.310 -9.804 213 1HB ARG 24 HB2 ARG 24 8.192 0.850 -11.053 214 2HB ARG 24 HB1 ARG 24 9.738 1.262 -11.792 215 1HG ARG 24 HG2 ARG 24 10.339 -1.056 -11.945 216 2HG ARG 24 HG1 ARG 24 8.889 -1.529 -11.047 217 1HD ARG 24 HD2 ARG 24 8.528 -1.887 -13.410 218 2HD ARG 24 HD1 ARG 24 7.505 -0.558 -12.853 219 HE ARG 24 HE ARG 24 10.070 0.197 -13.990 220 1HH1 ARG 24 HH11 ARG 24 6.634 -0.273 -14.529 221 2HH1 ARG 24 HH12 ARG 24 6.605 0.713 -15.967 222 1HH2 ARG 24 HH21 ARG 24 10.011 1.516 -15.865 223 2HH2 ARG 24 HH22 ARG 24 8.514 1.711 -16.720 224 H ALA 25 HN ALA 25 8.048 1.829 -8.473 225 HA ALA 25 HA ALA 25 8.810 4.524 -8.943 226 1HB ALA 25 HB1 ALA 25 7.115 5.078 -7.246 227 2HB ALA 25 HB2 ALA 25 6.977 3.366 -6.840 228 3HB ALA 25 HB3 ALA 25 6.502 3.936 -8.442 229 H LEU 26 HN LEU 26 9.060 2.352 -6.220 230 HA LEU 26 HA LEU 26 10.682 4.193 -4.711 231 1HB LEU 26 HB2 LEU 26 9.791 1.361 -4.215 232 2HB LEU 26 HB1 LEU 26 10.698 2.327 -3.060 233 HG LEU 26 HG LEU 26 7.978 3.099 -4.120 234 1HD1 LEU 26 HD11 LEU 26 8.706 1.741 -1.525 235 2HD1 LEU 26 HD12 LEU 26 7.815 1.014 -2.864 236 3HD1 LEU 26 HD13 LEU 26 7.109 2.353 -1.958 237 1HD2 LEU 26 HD21 LEU 26 7.994 4.647 -2.236 238 2HD2 LEU 26 HD22 LEU 26 9.354 4.947 -3.319 239 3HD2 LEU 26 HD23 LEU 26 9.612 4.101 -1.792 240 H ASP 27 HN ASP 27 11.505 0.895 -4.514 241 HA ASP 27 HA ASP 27 13.505 0.621 -6.407 242 1HB ASP 27 HB2 ASP 27 15.525 0.836 -4.898 243 2HB ASP 27 HB1 ASP 27 14.800 2.343 -5.431 244 H ILE 28 HN ILE 28 11.642 -1.008 -5.666 245 HA ILE 28 HA ILE 28 12.743 -2.946 -3.758 246 HB ILE 28 HB ILE 28 9.999 -2.698 -5.006 247 1HG1 ILE 28 HG12 ILE 28 9.312 -2.710 -2.563 248 2HG1 ILE 28 HG11 ILE 28 11.019 -2.561 -2.162 249 1HG2 ILE 28 HG21 ILE 28 9.366 -4.717 -3.783 250 2HG2 ILE 28 HG22 ILE 28 11.052 -4.954 -3.316 251 3HG2 ILE 28 HG23 ILE 28 10.584 -5.031 -5.018 252 1HD1 ILE 28 HD11 ILE 28 11.128 -0.438 -3.311 253 2HD1 ILE 28 HD12 ILE 28 9.850 -0.424 -2.091 254 3HD1 ILE 28 HD13 ILE 28 9.439 -0.599 -3.800 255 H ALA 29 HN ALA 29 13.458 -4.928 -4.375 256 HA ALA 29 HA ALA 29 13.521 -5.376 -7.277 257 1HB ALA 29 HB1 ALA 29 15.710 -5.137 -6.174 258 2HB ALA 29 HB2 ALA 29 15.505 -6.707 -6.949 259 3HB ALA 29 HB3 ALA 29 15.341 -6.560 -5.200 260 H ILE 30 HN ILE 30 13.169 -7.169 -4.244 261 HA ILE 30 HA ILE 30 11.343 -8.982 -5.607 262 HB ILE 30 HB ILE 30 13.578 -9.989 -5.900 263 1HG1 ILE 30 HG12 ILE 30 11.358 -11.322 -5.388 264 2HG1 ILE 30 HG11 ILE 30 12.896 -12.155 -5.548 265 1HG2 ILE 30 HG21 ILE 30 13.651 -10.026 -2.893 266 2HG2 ILE 30 HG22 ILE 30 14.740 -9.172 -3.987 267 3HG2 ILE 30 HG23 ILE 30 14.753 -10.934 -3.931 268 1HD1 ILE 30 HD11 ILE 30 11.624 -13.010 -3.676 269 2HD1 ILE 30 HD12 ILE 30 11.557 -11.397 -2.963 270 3HD1 ILE 30 HD13 ILE 30 13.104 -12.232 -3.117 271 H LYS 31 HN LYS 31 12.826 -7.837 -2.662 272 HA LYS 31 HA LYS 31 10.278 -8.231 -1.289 273 1HB LYS 31 HB2 LYS 31 12.972 -8.696 0.014 274 2HB LYS 31 HB1 LYS 31 11.392 -8.933 0.746 275 1HG LYS 31 HG2 LYS 31 11.019 -10.682 -1.086 276 2HG LYS 31 HG1 LYS 31 12.760 -10.581 -1.346 277 1HD LYS 31 HD2 LYS 31 12.406 -12.392 0.136 278 2HD LYS 31 HD1 LYS 31 13.033 -11.065 1.117 279 1HE LYS 31 HE2 LYS 31 11.129 -12.282 2.152 280 2HE LYS 31 HE1 LYS 31 10.837 -10.554 1.943 281 1HZ LYS 31 HZ1 LYS 31 8.920 -11.898 1.312 282 2HZ LYS 31 HZ2 LYS 31 9.853 -12.713 0.152 283 3HZ LYS 31 HZ3 LYS 31 9.540 -11.057 -0.027 284 H ASP 32 HN ASP 32 13.479 -6.785 -1.254 285 HA ASP 32 HA ASP 32 14.303 -4.972 -0.144 286 1HB ASP 32 HB2 ASP 32 12.446 -4.235 -2.290 287 2HB ASP 32 HB1 ASP 32 12.921 -2.903 -1.211 288 H SER 33 HN SER 33 11.751 -2.780 -0.118 289 HA SER 33 HA SER 33 10.627 -3.482 2.436 290 1HB SER 33 HB2 SER 33 12.521 -1.108 2.363 291 2HB SER 33 HB1 SER 33 11.568 -1.649 3.742 292 HG SER 33 HG SER 33 13.024 -3.703 2.838 293 H ILE 34 HN ILE 34 8.713 -2.411 2.752 294 HA ILE 34 HA ILE 34 8.332 0.207 1.465 295 HB ILE 34 HB ILE 34 6.095 -1.819 1.447 296 1HG1 ILE 34 HG12 ILE 34 6.626 -1.690 -1.152 297 2HG1 ILE 34 HG11 ILE 34 8.263 -1.416 -0.566 298 1HG2 ILE 34 HG21 ILE 34 5.127 -0.271 -0.192 299 2HG2 ILE 34 HG22 ILE 34 6.529 0.782 -0.005 300 3HG2 ILE 34 HG23 ILE 34 5.445 0.507 1.359 301 1HD1 ILE 34 HD11 ILE 34 8.114 -3.505 0.724 302 2HD1 ILE 34 HD12 ILE 34 7.936 -3.748 -1.014 303 3HD1 ILE 34 HD13 ILE 34 6.514 -3.786 0.032 304 H GLU 35 HN GLU 35 8.029 1.516 3.161 305 HA GLU 35 HA GLU 35 6.474 0.535 5.460 306 1HB GLU 35 HB2 GLU 35 8.778 1.374 5.901 307 2HB GLU 35 HB1 GLU 35 8.306 2.938 5.253 308 1HG GLU 35 HG2 GLU 35 6.762 3.287 7.045 309 2HG GLU 35 HG1 GLU 35 7.007 1.645 7.637 310 H PHE 36 HN PHE 36 4.611 1.583 6.090 311 HA PHE 36 HA PHE 36 3.670 3.559 4.130 312 1HB PHE 36 HB2 PHE 36 1.496 2.370 5.616 313 2HB PHE 36 HB1 PHE 36 1.770 2.434 3.882 314 HD1 PHE 36 HD1 PHE 36 1.567 0.332 6.707 315 HD2 PHE 36 HD2 PHE 36 3.429 0.727 2.906 316 HE1 PHE 36 HE1 PHE 36 1.966 -2.092 6.651 317 HE2 PHE 36 HE2 PHE 36 3.833 -1.695 2.846 318 HZ PHE 36 HZ PHE 36 3.100 -3.106 4.719 319 H PHE 37 HN PHE 37 2.344 5.208 4.713 320 HA PHE 37 HA PHE 37 2.417 6.116 7.537 321 1HB PHE 37 HB2 PHE 37 4.112 7.257 6.102 322 2HB PHE 37 HB1 PHE 37 2.849 7.694 4.968 323 HD1 PHE 37 HD1 PHE 37 4.746 8.718 7.761 324 HD2 PHE 37 HD2 PHE 37 0.965 9.220 5.876 325 HE1 PHE 37 HE1 PHE 37 4.463 10.875 8.907 326 HE2 PHE 37 HE2 PHE 37 0.671 11.373 7.026 327 HZ PHE 37 HZ PHE 37 2.426 12.207 8.539 328 H VAL 38 HN VAL 38 0.331 6.464 8.230 329 HA VAL 38 HA VAL 38 -1.715 6.524 6.158 330 HB VAL 38 HB VAL 38 -2.150 4.878 7.815 331 1HG1 VAL 38 HG11 VAL 38 -0.829 5.808 9.654 332 2HG1 VAL 38 HG12 VAL 38 -2.459 5.397 10.187 333 3HG1 VAL 38 HG13 VAL 38 -2.029 7.081 9.879 334 1HG2 VAL 38 HG21 VAL 38 -4.015 7.163 8.433 335 2HG2 VAL 38 HG22 VAL 38 -4.380 5.436 8.425 336 3HG2 VAL 38 HG23 VAL 38 -4.042 6.277 6.909 337 H ASP 39 HN ASP 39 -3.019 8.148 5.747 338 HA ASP 39 HA ASP 39 -2.733 10.613 7.315 339 1HB ASP 39 HB2 ASP 39 -1.150 10.843 5.491 340 2HB ASP 39 HB1 ASP 39 -2.372 10.367 4.319 341 H GLY 40 HN GLY 40 -4.741 10.753 8.086 342 1HA GLY 40 HA2 GLY 40 -6.971 11.334 8.040 343 2HA GLY 40 HA1 GLY 40 -6.859 11.473 6.291 344 H ASP 41 HN ASP 41 -7.257 9.675 5.001 345 HA ASP 41 HA ASP 41 -8.365 7.320 6.381 346 1HB ASP 41 HB2 ASP 41 -9.991 7.075 4.559 347 2HB ASP 41 HB1 ASP 41 -10.173 8.641 5.350 348 H LYS 42 HN LYS 42 -5.905 8.419 4.471 349 HA LYS 42 HA LYS 42 -5.942 6.075 2.705 350 1HB LYS 42 HB2 LYS 42 -5.261 7.355 0.978 351 2HB LYS 42 HB1 LYS 42 -5.880 8.683 1.952 352 1HG LYS 42 HG2 LYS 42 -3.575 8.894 2.924 353 2HG LYS 42 HG1 LYS 42 -3.045 7.745 1.697 354 1HD LYS 42 HD2 LYS 42 -2.670 10.116 1.062 355 2HD LYS 42 HD1 LYS 42 -3.700 9.234 -0.065 356 1HE LYS 42 HE2 LYS 42 -4.557 11.491 0.395 357 2HE LYS 42 HE1 LYS 42 -5.680 10.236 0.912 358 1HZ LYS 42 HZ1 LYS 42 -3.899 11.878 2.632 359 2HZ LYS 42 HZ2 LYS 42 -4.734 10.520 3.190 360 3HZ LYS 42 HZ3 LYS 42 -5.596 11.855 2.612 361 H ILE 43 HN ILE 43 -3.689 5.505 1.933 362 HA ILE 43 HA ILE 43 -1.849 5.451 4.231 363 HB ILE 43 HB ILE 43 -2.352 3.182 2.293 364 1HG1 ILE 43 HG12 ILE 43 -4.219 3.633 3.950 365 2HG1 ILE 43 HG11 ILE 43 -3.520 2.023 4.015 366 1HG2 ILE 43 HG21 ILE 43 -0.683 3.256 4.805 367 2HG2 ILE 43 HG22 ILE 43 -0.060 3.297 3.157 368 3HG2 ILE 43 HG23 ILE 43 -0.913 1.868 3.741 369 1HD1 ILE 43 HD11 ILE 43 -2.227 2.646 5.975 370 2HD1 ILE 43 HD12 ILE 43 -3.948 2.930 6.236 371 3HD1 ILE 43 HD13 ILE 43 -2.872 4.285 5.893 372 H ILE 44 HN ILE 44 0.329 5.622 3.717 373 HA ILE 44 HA ILE 44 0.922 6.334 0.914 374 HB ILE 44 HB ILE 44 2.103 7.592 3.395 375 1HG1 ILE 44 HG12 ILE 44 0.118 8.832 1.483 376 2HG1 ILE 44 HG11 ILE 44 -0.361 8.050 2.989 377 1HG2 ILE 44 HG21 ILE 44 2.319 8.348 0.482 378 2HG2 ILE 44 HG22 ILE 44 3.596 7.643 1.475 379 3HG2 ILE 44 HG23 ILE 44 2.992 9.260 1.835 380 1HD1 ILE 44 HD11 ILE 44 1.463 10.433 2.747 381 2HD1 ILE 44 HD12 ILE 44 0.956 9.654 4.249 382 3HD1 ILE 44 HD13 ILE 44 -0.235 10.464 3.229 383 H LEU 45 HN LEU 45 2.281 4.881 0.082 384 HA LEU 45 HA LEU 45 4.025 3.383 1.908 385 1HB LEU 45 HB2 LEU 45 2.856 2.783 -0.784 386 2HB LEU 45 HB1 LEU 45 4.277 1.920 -0.232 387 HG LEU 45 HG LEU 45 2.985 1.180 1.770 388 1HD1 LEU 45 HD11 LEU 45 0.662 2.389 0.279 389 2HD1 LEU 45 HD12 LEU 45 1.306 2.927 1.831 390 3HD1 LEU 45 HD13 LEU 45 0.539 1.344 1.694 391 1HD2 LEU 45 HD21 LEU 45 1.808 0.430 -0.905 392 2HD2 LEU 45 HD22 LEU 45 1.693 -0.512 0.581 393 3HD2 LEU 45 HD23 LEU 45 3.262 -0.262 -0.185 394 H LYS 46 HN LYS 46 6.182 3.591 1.867 395 HA LYS 46 HA LYS 46 7.512 4.096 -0.643 396 1HB LYS 46 HB2 LYS 46 8.818 5.997 0.090 397 2HB LYS 46 HB1 LYS 46 7.106 6.389 0.147 398 1HG LYS 46 HG2 LYS 46 7.078 6.164 2.530 399 2HG LYS 46 HG1 LYS 46 8.738 5.565 2.534 400 1HD LYS 46 HD2 LYS 46 7.826 8.325 1.717 401 2HD LYS 46 HD1 LYS 46 8.695 7.900 3.194 402 1HE LYS 46 HE2 LYS 46 10.473 8.568 1.941 403 2HE LYS 46 HE1 LYS 46 10.403 6.883 1.426 404 1HZ LYS 46 HZ1 LYS 46 10.608 8.217 -0.506 405 2HZ LYS 46 HZ2 LYS 46 9.361 9.256 -0.025 406 3HZ LYS 46 HZ3 LYS 46 9.012 7.664 -0.483 407 H LYS 47 HN LYS 47 9.801 3.783 -0.540 408 HA LYS 47 HA LYS 47 10.482 1.451 0.889 409 1HB LYS 47 HB2 LYS 47 11.438 2.691 -1.323 410 2HB LYS 47 HB1 LYS 47 12.674 3.155 -0.166 411 1HG LYS 47 HG2 LYS 47 11.855 0.298 -0.643 412 2HG LYS 47 HG1 LYS 47 13.149 1.099 -1.533 413 1HD LYS 47 HD2 LYS 47 14.335 1.501 0.574 414 2HD LYS 47 HD1 LYS 47 13.035 0.698 1.457 415 1HE LYS 47 HE2 LYS 47 14.763 -0.900 1.199 416 2HE LYS 47 HE1 LYS 47 13.493 -1.344 0.064 417 1HZ LYS 47 HZ1 LYS 47 15.340 -1.528 -1.243 418 2HZ LYS 47 HZ2 LYS 47 16.167 -0.278 -0.466 419 3HZ LYS 47 HZ3 LYS 47 14.936 0.093 -1.566 420 H TYR 48 HN TYR 48 12.169 1.160 2.480 421 HA TYR 48 HA TYR 48 11.866 2.981 4.649 422 1HB TYR 48 HB2 TYR 48 12.118 0.492 4.857 423 2HB TYR 48 HB1 TYR 48 13.809 0.683 4.389 424 HD1 TYR 48 HD1 TYR 48 15.437 1.179 6.007 425 HD2 TYR 48 HD2 TYR 48 11.320 1.675 6.967 426 HE1 TYR 48 HE1 TYR 48 16.037 1.577 8.357 427 HE2 TYR 48 HE2 TYR 48 11.909 2.072 9.319 428 HH TYR 48 HH TYR 48 15.101 2.682 10.332 429 H LYS 49 HN LYS 49 14.655 1.992 2.700 430 HA LYS 49 HA LYS 49 16.674 3.416 3.823 431 1HB LYS 49 HB2 LYS 49 17.008 1.846 1.987 432 2HB LYS 49 HB1 LYS 49 16.251 2.969 0.866 433 1HG LYS 49 HG2 LYS 49 18.057 4.589 1.310 434 2HG LYS 49 HG1 LYS 49 18.834 3.398 2.351 435 1HD LYS 49 HD2 LYS 49 18.202 2.946 -0.560 436 2HD LYS 49 HD1 LYS 49 19.765 3.504 0.038 437 1HE LYS 49 HE2 LYS 49 18.419 0.896 0.733 438 2HE LYS 49 HE1 LYS 49 19.787 1.098 -0.362 439 1HZ LYS 49 HZ1 LYS 49 19.714 1.431 2.572 440 2HZ LYS 49 HZ2 LYS 49 20.943 2.131 1.647 441 3HZ LYS 49 HZ3 LYS 49 20.736 0.449 1.646 442 HA PRO 50 HA PRO 50 15.852 7.433 1.309 443 1HB PRO 50 HB2 PRO 50 13.186 7.133 0.119 444 2HB PRO 50 HB1 PRO 50 14.697 7.642 -0.641 445 1HG PRO 50 HG2 PRO 50 13.562 5.262 -1.180 446 2HG PRO 50 HG1 PRO 50 15.322 5.483 -1.150 447 1HD PRO 50 HD2 PRO 50 13.523 4.312 0.942 448 2HD PRO 50 HD1 PRO 50 15.112 3.748 0.381 449 H HIS 51 HN HIS 51 15.533 8.601 3.132 450 HA HIS 51 HA HIS 51 13.145 8.123 4.704 451 1HB HIS 51 HB2 HIS 51 15.442 8.409 5.737 452 2HB HIS 51 HB1 HIS 51 15.321 10.118 5.327 453 HD1 HIS 51 HD1 HIS 51 14.130 11.587 6.974 454 HD2 HIS 51 HD2 HIS 51 13.361 7.541 7.595 455 HE1 HIS 51 HE1 HIS 51 12.781 11.466 9.097 456 HE2 HIS 51 HE2 HIS 51 12.408 9.005 9.510 457 H GLY 52 HN GLY 52 11.473 8.964 3.561 458 1HA GLY 52 HA2 GLY 52 11.473 11.814 2.937 459 2HA GLY 52 HA1 GLY 52 10.180 10.671 2.588 460 H VAL 53 HN VAL 53 8.644 12.134 3.496 461 HA VAL 53 HA VAL 53 8.823 13.128 6.120 462 HB VAL 53 HB VAL 53 7.242 14.020 4.444 463 1HG1 VAL 53 HG11 VAL 53 5.663 11.505 4.971 464 2HG1 VAL 53 HG12 VAL 53 6.469 11.932 3.461 465 3HG1 VAL 53 HG13 VAL 53 5.109 12.896 4.039 466 1HG2 VAL 53 HG21 VAL 53 6.108 13.093 7.072 467 2HG2 VAL 53 HG22 VAL 53 5.302 14.257 6.018 468 3HG2 VAL 53 HG23 VAL 53 6.881 14.636 6.707 469 H CYS 54 HN CYS 54 8.174 12.369 8.061 470 HA CYS 54 HA CYS 54 6.898 9.787 8.343 471 1HB CYS 54 HB2 CYS 54 9.699 10.220 9.415 472 2HB CYS 54 HB1 CYS 54 8.700 8.794 9.662 473 HG CYS 54 HG CYS 54 10.005 9.818 6.666 474 1H MET 1 HT1 MET 1 10.847 5.042 10.344 475 2H MET 1 HT2 MET 1 9.873 3.876 9.579 476 3H MET 1 HT3 MET 1 10.859 3.435 10.889 477 HA MET 1 HA MET 1 8.535 3.618 11.521 478 1HB MET 1 HB2 MET 1 10.276 4.024 13.192 479 2HB MET 1 HB1 MET 1 10.355 5.717 12.720 480 1HG MET 1 HG2 MET 1 8.095 6.075 13.499 481 2HG MET 1 HG1 MET 1 7.931 4.363 13.885 482 1HE MET 1 HE1 MET 1 10.756 3.671 15.149 483 2HE MET 1 HE2 MET 1 9.223 3.152 15.847 484 3HE MET 1 HE3 MET 1 10.432 3.944 16.861 485 H LYS 2 HN LYS 2 6.636 4.668 11.406 486 HA LYS 2 HA LYS 2 6.504 7.418 10.442 487 1HB LYS 2 HB2 LYS 2 5.111 5.120 9.038 488 2HB LYS 2 HB1 LYS 2 4.932 6.830 8.649 489 1HG LYS 2 HG2 LYS 2 7.521 6.692 8.330 490 2HG LYS 2 HG1 LYS 2 7.181 4.978 8.104 491 1HD LYS 2 HD2 LYS 2 5.378 5.761 6.452 492 2HD LYS 2 HD1 LYS 2 6.216 7.313 6.487 493 1HE LYS 2 HE2 LYS 2 7.216 4.650 5.547 494 2HE LYS 2 HE1 LYS 2 7.134 6.172 4.660 495 1HZ LYS 2 HZ1 LYS 2 8.815 7.035 6.294 496 2HZ LYS 2 HZ2 LYS 2 9.390 5.838 5.241 497 3HZ LYS 2 HZ3 LYS 2 9.005 5.440 6.845 498 H SER 3 HN SER 3 3.832 7.503 9.877 499 HA SER 3 HA SER 3 2.443 7.636 12.241 500 1HB SER 3 HB2 SER 3 1.386 7.012 9.469 501 2HB SER 3 HB1 SER 3 0.405 7.583 10.827 502 HG SER 3 HG SER 3 2.434 9.253 10.623 503 H ILE 4 HN ILE 4 2.410 4.968 9.877 504 HA ILE 4 HA ILE 4 1.166 3.194 11.804 505 HB ILE 4 HB ILE 4 2.442 2.184 9.288 506 1HG1 ILE 4 HG12 ILE 4 -0.126 3.784 9.432 507 2HG1 ILE 4 HG11 ILE 4 1.306 4.135 8.462 508 1HG2 ILE 4 HG21 ILE 4 0.666 0.583 9.355 509 2HG2 ILE 4 HG22 ILE 4 -0.182 1.495 10.606 510 3HG2 ILE 4 HG23 ILE 4 1.348 0.702 10.976 511 1HD1 ILE 4 HD11 ILE 4 -0.557 1.802 8.079 512 2HD1 ILE 4 HD12 ILE 4 0.878 2.148 7.114 513 3HD1 ILE 4 HD13 ILE 4 -0.490 3.262 7.092 514 H GLY 5 HN GLY 5 4.233 3.705 10.188 515 1HA GLY 5 HA2 GLY 5 6.378 3.405 10.938 516 2HA GLY 5 HA1 GLY 5 5.712 2.944 12.504 517 H VAL 6 HN VAL 6 4.731 1.347 9.588 518 HA VAL 6 HA VAL 6 6.353 -0.974 10.385 519 HB VAL 6 HB VAL 6 4.557 -2.466 9.553 520 1HG1 VAL 6 HG11 VAL 6 3.045 -2.190 11.469 521 2HG1 VAL 6 HG12 VAL 6 3.738 -0.597 11.770 522 3HG1 VAL 6 HG13 VAL 6 4.742 -2.038 11.930 523 1HG2 VAL 6 HG21 VAL 6 3.455 -0.846 8.061 524 2HG2 VAL 6 HG22 VAL 6 2.852 0.020 9.476 525 3HG2 VAL 6 HG23 VAL 6 2.327 -1.634 9.162 526 H VAL 7 HN VAL 7 7.558 -1.856 8.893 527 HA VAL 7 HA VAL 7 7.177 -0.980 6.110 528 HB VAL 7 HB VAL 7 9.324 -0.263 7.128 529 1HG1 VAL 7 HG11 VAL 7 9.899 -3.212 7.324 530 2HG1 VAL 7 HG12 VAL 7 9.699 -2.090 8.669 531 3HG1 VAL 7 HG13 VAL 7 11.072 -1.920 7.576 532 1HG2 VAL 7 HG21 VAL 7 10.805 -1.245 5.330 533 2HG2 VAL 7 HG22 VAL 7 9.320 -0.462 4.785 534 3HG2 VAL 7 HG23 VAL 7 9.409 -2.223 4.853 535 H ARG 8 HN ARG 8 7.184 -2.505 4.494 536 HA ARG 8 HA ARG 8 6.842 -5.267 5.457 537 1HB ARG 8 HB2 ARG 8 5.136 -3.580 3.856 538 2HB ARG 8 HB1 ARG 8 5.587 -5.020 2.955 539 1HG ARG 8 HG2 ARG 8 3.549 -5.453 4.063 540 2HG ARG 8 HG1 ARG 8 4.806 -6.362 4.911 541 1HD ARG 8 HD2 ARG 8 4.028 -3.622 5.819 542 2HD ARG 8 HD1 ARG 8 3.056 -5.011 6.261 543 HE ARG 8 HE ARG 8 5.924 -4.835 6.921 544 1HH1 ARG 8 HH11 ARG 8 2.594 -5.386 7.833 545 2HH1 ARG 8 HH12 ARG 8 2.969 -5.819 9.475 546 1HH2 ARG 8 HH21 ARG 8 6.436 -5.395 9.079 547 2HH2 ARG 8 HH22 ARG 8 5.166 -5.849 10.173 548 H LYS 9 HN LYS 9 7.294 -6.921 3.862 549 HA LYS 9 HA LYS 9 9.454 -6.129 2.033 550 1HB LYS 9 HB2 LYS 9 9.140 -8.797 3.431 551 2HB LYS 9 HB1 LYS 9 10.496 -8.285 2.436 552 1HG LYS 9 HG2 LYS 9 9.712 -7.179 5.130 553 2HG LYS 9 HG1 LYS 9 11.120 -8.176 4.757 554 1HD LYS 9 HD2 LYS 9 11.946 -6.384 3.268 555 2HD LYS 9 HD1 LYS 9 10.577 -5.378 3.744 556 1HE LYS 9 HE2 LYS 9 12.524 -4.734 5.005 557 2HE LYS 9 HE1 LYS 9 11.359 -5.497 6.086 558 1HZ LYS 9 HZ1 LYS 9 12.737 -7.202 6.502 559 2HZ LYS 9 HZ2 LYS 9 13.951 -6.140 5.965 560 3HZ LYS 9 HZ3 LYS 9 13.302 -7.290 4.904 561 H VAL 10 HN VAL 10 8.919 -6.402 -0.028 562 HA VAL 10 HA VAL 10 6.537 -7.546 -0.910 563 HB VAL 10 HB VAL 10 9.109 -6.848 -2.310 564 1HG1 VAL 10 HG11 VAL 10 6.735 -8.159 -3.622 565 2HG1 VAL 10 HG12 VAL 10 8.338 -8.871 -3.432 566 3HG1 VAL 10 HG13 VAL 10 8.118 -7.449 -4.454 567 1HG2 VAL 10 HG21 VAL 10 6.269 -5.889 -2.606 568 2HG2 VAL 10 HG22 VAL 10 7.675 -5.252 -3.460 569 3HG2 VAL 10 HG23 VAL 10 7.549 -5.071 -1.711 570 H ASP 11 HN ASP 11 5.940 -9.543 -1.450 571 HA ASP 11 HA ASP 11 7.161 -11.804 -0.423 572 1HB ASP 11 HB2 ASP 11 4.800 -11.708 -1.108 573 2HB ASP 11 HB1 ASP 11 5.286 -11.592 -2.795 574 H GLU 12 HN GLU 12 6.703 -11.567 -3.881 575 HA GLU 12 HA GLU 12 9.522 -11.443 -4.480 576 1HB GLU 12 HB2 GLU 12 7.849 -13.810 -5.384 577 2HB GLU 12 HB1 GLU 12 9.455 -13.427 -5.987 578 1HG GLU 12 HG2 GLU 12 10.344 -13.729 -3.711 579 2HG GLU 12 HG1 GLU 12 8.729 -14.196 -3.174 580 H LEU 13 HN LEU 13 6.220 -11.716 -5.424 581 HA LEU 13 HA LEU 13 6.516 -10.620 -8.060 582 1HB LEU 13 HB2 LEU 13 4.034 -10.809 -6.373 583 2HB LEU 13 HB1 LEU 13 4.127 -10.766 -8.123 584 HG LEU 13 HG LEU 13 5.075 -13.046 -6.389 585 1HD1 LEU 13 HD11 LEU 13 2.596 -12.840 -8.090 586 2HD1 LEU 13 HD12 LEU 13 2.631 -12.679 -6.330 587 3HD1 LEU 13 HD13 LEU 13 3.090 -14.208 -7.091 588 1HD2 LEU 13 HD21 LEU 13 5.236 -14.286 -8.470 589 2HD2 LEU 13 HD22 LEU 13 6.266 -12.856 -8.527 590 3HD2 LEU 13 HD23 LEU 13 4.723 -12.866 -9.380 591 H GLY 14 HN GLY 14 5.289 -9.536 -4.946 592 1HA GLY 14 HA2 GLY 14 5.959 -6.986 -4.725 593 2HA GLY 14 HA1 GLY 14 4.704 -6.874 -5.967 594 H ARG 15 HN ARG 15 3.734 -9.436 -4.351 595 HA ARG 15 HA ARG 15 1.654 -8.208 -2.922 596 1HB ARG 15 HB2 ARG 15 2.820 -10.983 -2.530 597 2HB ARG 15 HB1 ARG 15 1.241 -10.444 -1.971 598 1HG ARG 15 HG2 ARG 15 0.757 -10.000 -4.465 599 2HG ARG 15 HG1 ARG 15 2.162 -11.033 -4.764 600 1HD ARG 15 HD2 ARG 15 -0.295 -11.793 -3.180 601 2HD ARG 15 HD1 ARG 15 0.083 -12.320 -4.820 602 HE ARG 15 HE ARG 15 2.232 -13.189 -3.524 603 1HH1 ARG 15 HH11 ARG 15 -1.172 -13.475 -2.714 604 2HH1 ARG 15 HH12 ARG 15 -0.946 -14.935 -1.795 605 1HH2 ARG 15 HH21 ARG 15 2.511 -15.089 -2.305 606 2HH2 ARG 15 HH22 ARG 15 1.144 -15.831 -1.531 607 H ILE 16 HN ILE 16 1.572 -7.375 -0.893 608 HA ILE 16 HA ILE 16 3.510 -8.312 1.101 609 HB ILE 16 HB ILE 16 4.294 -6.253 1.777 610 1HG1 ILE 16 HG12 ILE 16 1.849 -5.009 0.507 611 2HG1 ILE 16 HG11 ILE 16 2.244 -5.127 2.226 612 1HG2 ILE 16 HG21 ILE 16 4.923 -4.903 -0.194 613 2HG2 ILE 16 HG22 ILE 16 3.804 -5.855 -1.168 614 3HG2 ILE 16 HG23 ILE 16 5.199 -6.630 -0.416 615 1HD1 ILE 16 HD11 ILE 16 2.604 -2.875 1.504 616 2HD1 ILE 16 HD12 ILE 16 3.611 -3.416 0.158 617 3HD1 ILE 16 HD13 ILE 16 4.176 -3.619 1.821 618 H VAL 17 HN VAL 17 2.720 -7.105 3.321 619 HA VAL 17 HA VAL 17 -0.151 -7.703 3.418 620 HB VAL 17 HB VAL 17 0.949 -9.280 4.801 621 1HG1 VAL 17 HG11 VAL 17 3.110 -8.177 5.013 622 2HG1 VAL 17 HG12 VAL 17 2.507 -8.695 6.588 623 3HG1 VAL 17 HG13 VAL 17 2.409 -6.998 6.120 624 1HG2 VAL 17 HG21 VAL 17 -1.064 -8.398 5.790 625 2HG2 VAL 17 HG22 VAL 17 -0.166 -7.064 6.521 626 3HG2 VAL 17 HG23 VAL 17 0.114 -8.720 7.062 627 H MET 18 HN MET 18 -1.366 -5.963 3.484 628 HA MET 18 HA MET 18 -0.341 -3.496 4.636 629 1HB MET 18 HB2 MET 18 -3.091 -4.057 3.502 630 2HB MET 18 HB1 MET 18 -2.431 -2.476 3.907 631 1HG MET 18 HG2 MET 18 -1.666 -4.302 1.655 632 2HG MET 18 HG1 MET 18 -2.266 -2.648 1.579 633 1HE MET 18 HE1 MET 18 -0.628 -1.146 3.721 634 2HE MET 18 HE2 MET 18 -0.724 -0.474 2.092 635 3HE MET 18 HE3 MET 18 0.841 -0.632 2.890 636 HA PRO 19 HA PRO 19 -1.927 -4.337 8.547 637 1HB PRO 19 HB2 PRO 19 -2.098 -1.846 9.614 638 2HB PRO 19 HB1 PRO 19 -0.574 -2.680 9.306 639 1HG PRO 19 HG2 PRO 19 -1.812 -0.434 7.862 640 2HG PRO 19 HG1 PRO 19 -0.112 -0.916 7.962 641 1HD PRO 19 HD2 PRO 19 -1.904 -1.373 5.820 642 2HD PRO 19 HD1 PRO 19 -0.256 -2.008 6.002 643 H ILE 20 HN ILE 20 -3.656 -4.304 9.980 644 HA ILE 20 HA ILE 20 -6.241 -3.966 9.018 645 HB ILE 20 HB ILE 20 -5.952 -5.293 10.956 646 1HG1 ILE 20 HG12 ILE 20 -7.497 -4.213 12.623 647 2HG1 ILE 20 HG11 ILE 20 -7.392 -2.724 11.680 648 1HG2 ILE 20 HG21 ILE 20 -4.760 -2.857 12.256 649 2HG2 ILE 20 HG22 ILE 20 -3.946 -4.374 11.859 650 3HG2 ILE 20 HG23 ILE 20 -5.180 -4.336 13.121 651 1HD1 ILE 20 HD11 ILE 20 -8.357 -3.853 9.772 652 2HD1 ILE 20 HD12 ILE 20 -9.415 -3.969 11.178 653 3HD1 ILE 20 HD13 ILE 20 -8.449 -5.360 10.683 654 H GLU 21 HN GLU 21 -4.033 -1.698 10.491 655 HA GLU 21 HA GLU 21 -5.794 0.418 11.015 656 1HB GLU 21 HB2 GLU 21 -2.909 0.587 10.108 657 2HB GLU 21 HB1 GLU 21 -3.804 1.830 10.974 658 1HG GLU 21 HG2 GLU 21 -3.228 -0.915 12.058 659 2HG GLU 21 HG1 GLU 21 -2.250 0.516 12.393 660 H LEU 22 HN LEU 22 -4.473 -0.793 8.026 661 HA LEU 22 HA LEU 22 -5.188 1.531 6.476 662 1HB LEU 22 HB2 LEU 22 -3.493 0.420 5.395 663 2HB LEU 22 HB1 LEU 22 -4.036 -1.157 5.933 664 HG LEU 22 HG LEU 22 -5.769 0.212 3.953 665 1HD1 LEU 22 HD11 LEU 22 -4.331 -0.511 2.091 666 2HD1 LEU 22 HD12 LEU 22 -3.067 -0.933 3.248 667 3HD1 LEU 22 HD13 LEU 22 -3.573 0.748 3.065 668 1HD2 LEU 22 HD21 LEU 22 -6.169 -2.069 4.906 669 2HD2 LEU 22 HD22 LEU 22 -4.696 -2.603 4.091 670 3HD2 LEU 22 HD23 LEU 22 -6.064 -2.020 3.143 671 H ARG 23 HN ARG 23 -6.425 -1.682 7.122 672 HA ARG 23 HA ARG 23 -8.783 -1.517 5.589 673 1HB ARG 23 HB2 ARG 23 -8.329 -3.012 8.174 674 2HB ARG 23 HB1 ARG 23 -9.654 -3.290 7.050 675 1HG ARG 23 HG2 ARG 23 -8.119 -4.032 5.351 676 2HG ARG 23 HG1 ARG 23 -6.743 -3.652 6.389 677 1HD ARG 23 HD2 ARG 23 -7.637 -6.103 6.225 678 2HD ARG 23 HD1 ARG 23 -7.133 -5.449 7.781 679 HE ARG 23 HE ARG 23 -9.878 -4.947 7.418 680 1HH1 ARG 23 HH11 ARG 23 -7.712 -7.651 7.935 681 2HH1 ARG 23 HH12 ARG 23 -8.883 -8.577 8.816 682 1HH2 ARG 23 HH21 ARG 23 -11.401 -6.145 8.628 683 2HH2 ARG 23 HH22 ARG 23 -10.976 -7.728 9.214 684 H ARG 24 HN ARG 24 -7.974 -0.314 8.733 685 HA ARG 24 HA ARG 24 -10.659 0.393 9.487 686 1HB ARG 24 HB2 ARG 24 -7.944 1.083 10.618 687 2HB ARG 24 HB1 ARG 24 -9.469 1.557 11.362 688 1HG ARG 24 HG2 ARG 24 -10.047 -0.789 11.672 689 2HG ARG 24 HG1 ARG 24 -8.530 -1.268 10.901 690 1HD ARG 24 HD2 ARG 24 -8.317 -1.352 13.316 691 2HD ARG 24 HD1 ARG 24 -7.283 -0.085 12.644 692 HE ARG 24 HE ARG 24 -9.948 0.591 13.704 693 1HH1 ARG 24 HH11 ARG 24 -6.458 0.874 13.898 694 2HH1 ARG 24 HH12 ARG 24 -6.513 2.308 14.877 695 1HH2 ARG 24 HH21 ARG 24 -10.012 2.466 14.987 696 2HH2 ARG 24 HH22 ARG 24 -8.533 3.229 15.480 697 H ALA 25 HN ALA 25 -7.804 1.916 8.214 698 HA ALA 25 HA ALA 25 -8.461 4.612 8.315 699 1HB ALA 25 HB1 ALA 25 -6.931 3.064 6.214 700 2HB ALA 25 HB2 ALA 25 -6.254 3.827 7.664 701 3HB ALA 25 HB3 ALA 25 -6.926 4.825 6.374 702 H LEU 26 HN LEU 26 -9.061 2.202 5.824 703 HA LEU 26 HA LEU 26 -10.508 4.154 4.247 704 1HB LEU 26 HB2 LEU 26 -9.668 1.334 3.634 705 2HB LEU 26 HB1 LEU 26 -10.470 2.415 2.507 706 HG LEU 26 HG LEU 26 -7.804 3.053 3.753 707 1HD1 LEU 26 HD11 LEU 26 -8.386 1.700 1.121 708 2HD1 LEU 26 HD12 LEU 26 -7.542 0.998 2.501 709 3HD1 LEU 26 HD13 LEU 26 -6.816 2.336 1.611 710 1HD2 LEU 26 HD21 LEU 26 -9.041 4.950 2.882 711 2HD2 LEU 26 HD22 LEU 26 -9.262 4.120 1.342 712 3HD2 LEU 26 HD23 LEU 26 -7.647 4.600 1.861 713 H ASP 27 HN ASP 27 -11.178 0.671 4.706 714 HA ASP 27 HA ASP 27 -13.809 0.897 5.659 715 1HB ASP 27 HB2 ASP 27 -13.859 2.210 3.429 716 2HB ASP 27 HB1 ASP 27 -13.755 0.642 2.660 717 H ILE 28 HN ILE 28 -11.369 -0.963 5.374 718 HA ILE 28 HA ILE 28 -12.363 -3.017 3.563 719 HB ILE 28 HB ILE 28 -9.673 -2.691 4.887 720 1HG1 ILE 28 HG12 ILE 28 -8.872 -2.427 2.567 721 2HG1 ILE 28 HG11 ILE 28 -10.530 -2.617 1.972 722 1HG2 ILE 28 HG21 ILE 28 -10.664 -4.911 3.111 723 2HG2 ILE 28 HG22 ILE 28 -10.154 -5.047 4.791 724 3HG2 ILE 28 HG23 ILE 28 -8.976 -4.648 3.542 725 1HD1 ILE 28 HD11 ILE 28 -11.167 -0.561 3.096 726 2HD1 ILE 28 HD12 ILE 28 -9.806 -0.299 1.984 727 3HD1 ILE 28 HD13 ILE 28 -9.516 -0.398 3.725 728 H ALA 29 HN ALA 29 -13.267 -4.799 4.143 729 HA ALA 29 HA ALA 29 -13.500 -5.326 7.008 730 1HB ALA 29 HB1 ALA 29 -15.173 -6.311 4.719 731 2HB ALA 29 HB2 ALA 29 -15.531 -4.916 5.737 732 3HB ALA 29 HB3 ALA 29 -15.517 -6.538 6.437 733 H ILE 30 HN ILE 30 -12.548 -6.901 4.021 734 HA ILE 30 HA ILE 30 -10.991 -8.826 5.420 735 HB ILE 30 HB ILE 30 -13.270 -9.800 5.721 736 1HG1 ILE 30 HG12 ILE 30 -11.032 -11.131 5.424 737 2HG1 ILE 30 HG11 ILE 30 -12.567 -11.982 5.506 738 1HG2 ILE 30 HG21 ILE 30 -14.307 -9.089 3.669 739 2HG2 ILE 30 HG22 ILE 30 -14.396 -10.844 3.812 740 3HG2 ILE 30 HG23 ILE 30 -13.214 -10.106 2.730 741 1HD1 ILE 30 HD11 ILE 30 -11.169 -12.916 3.779 742 2HD1 ILE 30 HD12 ILE 30 -11.014 -11.337 3.010 743 3HD1 ILE 30 HD13 ILE 30 -12.581 -12.146 3.055 744 H LYS 31 HN LYS 31 -12.531 -7.781 2.462 745 HA LYS 31 HA LYS 31 -9.979 -8.142 1.057 746 1HB LYS 31 HB2 LYS 31 -12.635 -8.553 -0.322 747 2HB LYS 31 HB1 LYS 31 -11.027 -8.953 -0.912 748 1HG LYS 31 HG2 LYS 31 -10.923 -10.629 1.001 749 2HG LYS 31 HG1 LYS 31 -12.661 -10.372 1.162 750 1HD LYS 31 HD2 LYS 31 -12.413 -12.263 -0.226 751 2HD LYS 31 HD1 LYS 31 -12.826 -10.927 -1.305 752 1HE LYS 31 HE2 LYS 31 -11.012 -12.335 -2.190 753 2HE LYS 31 HE1 LYS 31 -10.499 -10.663 -1.934 754 1HZ LYS 31 HZ1 LYS 31 -8.888 -12.377 -1.170 755 2HZ LYS 31 HZ2 LYS 31 -10.013 -12.876 -0.008 756 3HZ LYS 31 HZ3 LYS 31 -9.372 -11.308 0.051 757 H ASP 32 HN ASP 32 -13.191 -6.722 1.059 758 HA ASP 32 HA ASP 32 -14.056 -4.935 -0.050 759 1HB ASP 32 HB2 ASP 32 -12.264 -4.149 2.112 760 2HB ASP 32 HB1 ASP 32 -12.681 -2.819 1.012 761 H SER 33 HN SER 33 -11.350 -2.836 -0.038 762 HA SER 33 HA SER 33 -10.414 -3.432 -2.680 763 1HB SER 33 HB2 SER 33 -12.188 -0.978 -2.388 764 2HB SER 33 HB1 SER 33 -11.310 -1.473 -3.835 765 HG SER 33 HG SER 33 -12.811 -3.522 -3.042 766 H ILE 34 HN ILE 34 -8.444 -2.458 -2.987 767 HA ILE 34 HA ILE 34 -7.982 0.156 -1.741 768 HB ILE 34 HB ILE 34 -5.822 -1.953 -1.659 769 1HG1 ILE 34 HG12 ILE 34 -6.303 -1.566 0.946 770 2HG1 ILE 34 HG11 ILE 34 -7.937 -1.321 0.335 771 1HG2 ILE 34 HG21 ILE 34 -4.717 -0.351 -0.171 772 2HG2 ILE 34 HG22 ILE 34 -6.068 0.762 -0.381 773 3HG2 ILE 34 HG23 ILE 34 -5.053 0.339 -1.759 774 1HD1 ILE 34 HD11 ILE 34 -7.642 -3.609 0.996 775 2HD1 ILE 34 HD12 ILE 34 -6.220 -3.757 -0.047 776 3HD1 ILE 34 HD13 ILE 34 -7.817 -3.519 -0.760 777 H GLU 35 HN GLU 35 -7.748 1.374 -3.521 778 HA GLU 35 HA GLU 35 -6.138 0.312 -5.743 779 1HB GLU 35 HB2 GLU 35 -8.398 1.070 -6.331 780 2HB GLU 35 HB1 GLU 35 -8.044 2.658 -5.664 781 1HG GLU 35 HG2 GLU 35 -6.347 3.022 -7.353 782 2HG GLU 35 HG1 GLU 35 -6.616 1.402 -7.999 783 H PHE 36 HN PHE 36 -4.332 1.411 -6.468 784 HA PHE 36 HA PHE 36 -3.370 3.376 -4.497 785 1HB PHE 36 HB2 PHE 36 -1.317 2.166 -6.196 786 2HB PHE 36 HB1 PHE 36 -1.352 2.399 -4.455 787 HD1 PHE 36 HD1 PHE 36 -1.179 0.004 -6.911 788 HD2 PHE 36 HD2 PHE 36 -3.175 0.839 -3.249 789 HE1 PHE 36 HE1 PHE 36 -1.536 -2.403 -6.558 790 HE2 PHE 36 HE2 PHE 36 -3.537 -1.563 -2.893 791 HZ PHE 36 HZ PHE 36 -2.715 -3.186 -4.547 792 H PHE 37 HN PHE 37 -2.026 5.035 -5.097 793 HA PHE 37 HA PHE 37 -2.155 5.998 -7.895 794 1HB PHE 37 HB2 PHE 37 -3.834 7.138 -6.436 795 2HB PHE 37 HB1 PHE 37 -2.549 7.575 -5.322 796 HD1 PHE 37 HD1 PHE 37 -4.438 8.545 -8.171 797 HD2 PHE 37 HD2 PHE 37 -0.717 9.137 -6.193 798 HE1 PHE 37 HE1 PHE 37 -4.161 10.690 -9.341 799 HE2 PHE 37 HE2 PHE 37 -0.430 11.279 -7.366 800 HZ PHE 37 HZ PHE 37 -2.161 12.062 -8.939 801 H VAL 38 HN VAL 38 -0.104 6.501 -8.611 802 HA VAL 38 HA VAL 38 2.002 6.394 -6.594 803 HB VAL 38 HB VAL 38 2.297 4.952 -8.543 804 1HG1 VAL 38 HG11 VAL 38 2.801 5.901 -10.760 805 2HG1 VAL 38 HG12 VAL 38 2.389 7.505 -10.152 806 3HG1 VAL 38 HG13 VAL 38 1.152 6.251 -10.244 807 1HG2 VAL 38 HG21 VAL 38 4.235 7.180 -8.066 808 2HG2 VAL 38 HG22 VAL 38 4.589 5.924 -9.256 809 3HG2 VAL 38 HG23 VAL 38 4.325 5.491 -7.566 810 H ASP 39 HN ASP 39 3.347 8.042 -6.137 811 HA ASP 39 HA ASP 39 2.935 10.606 -7.518 812 1HB ASP 39 HB2 ASP 39 1.508 10.622 -5.502 813 2HB ASP 39 HB1 ASP 39 2.910 10.239 -4.509 814 H GLY 40 HN GLY 40 4.910 10.767 -8.425 815 1HA GLY 40 HA2 GLY 40 7.175 11.139 -8.557 816 2HA GLY 40 HA1 GLY 40 7.167 11.370 -6.812 817 H ASP 41 HN ASP 41 7.577 9.640 -5.457 818 HA ASP 41 HA ASP 41 8.579 7.206 -6.778 819 1HB ASP 41 HB2 ASP 41 10.187 6.979 -4.951 820 2HB ASP 41 HB1 ASP 41 10.386 8.527 -5.760 821 H LYS 42 HN LYS 42 6.207 8.443 -4.789 822 HA LYS 42 HA LYS 42 6.190 6.173 -2.942 823 1HB LYS 42 HB2 LYS 42 5.296 7.552 -1.384 824 2HB LYS 42 HB1 LYS 42 5.953 8.820 -2.413 825 1HG LYS 42 HG2 LYS 42 3.745 8.888 -3.589 826 2HG LYS 42 HG1 LYS 42 3.137 7.778 -2.353 827 1HD LYS 42 HD2 LYS 42 2.578 10.117 -1.855 828 2HD LYS 42 HD1 LYS 42 3.634 9.416 -0.626 829 1HE LYS 42 HE2 LYS 42 5.485 10.622 -1.345 830 2HE LYS 42 HE1 LYS 42 4.791 10.938 -2.935 831 1HZ LYS 42 HZ1 LYS 42 4.765 12.922 -1.583 832 2HZ LYS 42 HZ2 LYS 42 3.901 12.130 -0.358 833 3HZ LYS 42 HZ3 LYS 42 3.172 12.410 -1.864 834 H ILE 43 HN ILE 43 3.954 5.506 -2.255 835 HA ILE 43 HA ILE 43 2.155 5.337 -4.579 836 HB ILE 43 HB ILE 43 2.712 3.114 -2.598 837 1HG1 ILE 43 HG12 ILE 43 4.578 3.567 -4.222 838 2HG1 ILE 43 HG11 ILE 43 3.878 1.959 -4.354 839 1HG2 ILE 43 HG21 ILE 43 1.090 3.039 -5.136 840 2HG2 ILE 43 HG22 ILE 43 0.404 3.227 -3.525 841 3HG2 ILE 43 HG23 ILE 43 1.271 1.748 -3.947 842 1HD1 ILE 43 HD11 ILE 43 2.787 2.478 -6.361 843 2HD1 ILE 43 HD12 ILE 43 4.397 3.190 -6.512 844 3HD1 ILE 43 HD13 ILE 43 3.011 4.214 -6.130 845 H ILE 44 HN ILE 44 -0.023 5.487 -4.095 846 HA ILE 44 HA ILE 44 -0.653 6.274 -1.319 847 HB ILE 44 HB ILE 44 -1.891 7.354 -3.854 848 1HG1 ILE 44 HG12 ILE 44 0.179 8.578 -2.014 849 2HG1 ILE 44 HG11 ILE 44 0.426 8.065 -3.683 850 1HG2 ILE 44 HG21 ILE 44 -3.395 7.389 -1.949 851 2HG2 ILE 44 HG22 ILE 44 -2.892 9.028 -2.363 852 3HG2 ILE 44 HG23 ILE 44 -2.174 8.207 -0.977 853 1HD1 ILE 44 HD11 ILE 44 -1.072 9.799 -4.460 854 2HD1 ILE 44 HD12 ILE 44 0.215 10.490 -3.472 855 3HD1 ILE 44 HD13 ILE 44 -1.403 10.286 -2.798 856 H LEU 45 HN LEU 45 -1.981 4.833 -0.402 857 HA LEU 45 HA LEU 45 -3.699 3.220 -2.149 858 1HB LEU 45 HB2 LEU 45 -2.453 2.767 0.520 859 2HB LEU 45 HB1 LEU 45 -3.937 1.918 0.132 860 HG LEU 45 HG LEU 45 -2.834 0.975 -1.881 861 1HD1 LEU 45 HD11 LEU 45 -0.374 2.287 -0.733 862 2HD1 LEU 45 HD12 LEU 45 -1.157 2.673 -2.267 863 3HD1 LEU 45 HD13 LEU 45 -0.385 1.103 -2.041 864 1HD2 LEU 45 HD21 LEU 45 -1.445 0.442 0.743 865 2HD2 LEU 45 HD22 LEU 45 -1.418 -0.613 -0.669 866 3HD2 LEU 45 HD23 LEU 45 -2.935 -0.311 0.174 867 H LYS 46 HN LYS 46 -5.808 3.476 -2.184 868 HA LYS 46 HA LYS 46 -7.241 4.227 0.221 869 1HB LYS 46 HB2 LYS 46 -8.540 5.985 -1.105 870 2HB LYS 46 HB1 LYS 46 -6.927 6.421 -0.560 871 1HG LYS 46 HG2 LYS 46 -6.022 6.072 -2.746 872 2HG LYS 46 HG1 LYS 46 -7.552 5.413 -3.323 873 1HD LYS 46 HD2 LYS 46 -7.317 8.207 -2.243 874 2HD LYS 46 HD1 LYS 46 -7.016 7.827 -3.939 875 1HE LYS 46 HE2 LYS 46 -9.260 8.474 -3.879 876 2HE LYS 46 HE1 LYS 46 -9.298 6.713 -3.924 877 1HZ LYS 46 HZ1 LYS 46 -10.876 7.643 -2.304 878 2HZ LYS 46 HZ2 LYS 46 -9.591 8.357 -1.454 879 3HZ LYS 46 HZ3 LYS 46 -9.711 6.673 -1.550 880 H LYS 47 HN LYS 47 -9.484 3.814 0.094 881 HA LYS 47 HA LYS 47 -10.086 1.445 -1.325 882 1HB LYS 47 HB2 LYS 47 -11.141 2.726 0.858 883 2HB LYS 47 HB1 LYS 47 -12.386 2.997 -0.353 884 1HG LYS 47 HG2 LYS 47 -11.592 0.265 -0.487 885 2HG LYS 47 HG1 LYS 47 -11.910 0.686 1.196 886 1HD LYS 47 HD2 LYS 47 -14.108 1.607 0.501 887 2HD LYS 47 HD1 LYS 47 -13.773 1.044 -1.149 888 1HE LYS 47 HE2 LYS 47 -13.829 -1.200 -0.518 889 2HE LYS 47 HE1 LYS 47 -13.638 -0.826 1.192 890 1HZ LYS 47 HZ1 LYS 47 -15.874 -1.517 0.730 891 2HZ LYS 47 HZ2 LYS 47 -16.058 -0.316 -0.450 892 3HZ LYS 47 HZ3 LYS 47 -15.882 0.118 1.182 893 H TYR 48 HN TYR 48 -12.158 1.282 -2.702 894 HA TYR 48 HA TYR 48 -11.652 3.079 -4.932 895 1HB TYR 48 HB2 TYR 48 -11.810 0.574 -5.198 896 2HB TYR 48 HB1 TYR 48 -13.528 0.716 -4.813 897 HD1 TYR 48 HD1 TYR 48 -15.050 1.026 -6.558 898 HD2 TYR 48 HD2 TYR 48 -10.969 2.065 -7.168 899 HE1 TYR 48 HE1 TYR 48 -15.531 1.514 -8.922 900 HE2 TYR 48 HE2 TYR 48 -11.440 2.552 -9.529 901 HH TYR 48 HH TYR 48 -14.672 2.700 -10.772 902 H LYS 49 HN LYS 49 -14.394 1.910 -3.058 903 HA LYS 49 HA LYS 49 -16.453 3.365 -4.104 904 1HB LYS 49 HB2 LYS 49 -16.776 1.638 -2.443 905 2HB LYS 49 HB1 LYS 49 -15.981 2.617 -1.220 906 1HG LYS 49 HG2 LYS 49 -17.774 4.251 -1.322 907 2HG LYS 49 HG1 LYS 49 -18.571 3.313 -2.587 908 1HD LYS 49 HD2 LYS 49 -17.935 2.179 0.126 909 2HD LYS 49 HD1 LYS 49 -19.452 3.009 -0.226 910 1HE LYS 49 HE2 LYS 49 -18.416 0.590 -1.705 911 2HE LYS 49 HE1 LYS 49 -19.619 0.545 -0.416 912 1HZ LYS 49 HZ1 LYS 49 -19.894 1.862 -3.064 913 2HZ LYS 49 HZ2 LYS 49 -21.017 2.021 -1.803 914 3HZ LYS 49 HZ3 LYS 49 -20.738 0.501 -2.505 915 HA PRO 50 HA PRO 50 -15.618 7.180 -1.296 916 1HB PRO 50 HB2 PRO 50 -12.932 6.833 -0.183 917 2HB PRO 50 HB1 PRO 50 -14.437 7.241 0.643 918 1HG PRO 50 HG2 PRO 50 -13.238 4.850 0.955 919 2HG PRO 50 HG1 PRO 50 -15.001 5.036 0.994 920 1HD PRO 50 HD2 PRO 50 -13.246 4.084 -1.243 921 2HD PRO 50 HD1 PRO 50 -14.803 3.438 -0.683 922 H HIS 51 HN HIS 51 -15.462 8.025 -3.333 923 HA HIS 51 HA HIS 51 -13.177 8.047 -4.962 924 1HB HIS 51 HB2 HIS 51 -15.358 8.450 -5.904 925 2HB HIS 51 HB1 HIS 51 -15.604 9.848 -4.867 926 HD1 HIS 51 HD1 HIS 51 -14.986 12.052 -5.800 927 HD2 HIS 51 HD2 HIS 51 -13.271 8.908 -7.924 928 HE1 HIS 51 HE1 HIS 51 -13.904 13.101 -7.818 929 HE2 HIS 51 HE2 HIS 51 -12.811 11.193 -9.056 930 H GLY 52 HN GLY 52 -11.318 8.958 -4.498 931 1HA GLY 52 HA2 GLY 52 -11.318 11.605 -3.195 932 2HA GLY 52 HA1 GLY 52 -10.031 10.419 -2.986 933 H VAL 53 HN VAL 53 -8.429 11.823 -3.791 934 HA VAL 53 HA VAL 53 -8.715 13.029 -6.367 935 HB VAL 53 HB VAL 53 -7.219 14.008 -4.683 936 1HG1 VAL 53 HG11 VAL 53 -6.333 12.012 -3.646 937 2HG1 VAL 53 HG12 VAL 53 -5.011 13.006 -4.255 938 3HG1 VAL 53 HG13 VAL 53 -5.512 11.565 -5.141 939 1HG2 VAL 53 HG21 VAL 53 -6.049 13.160 -7.315 940 2HG2 VAL 53 HG22 VAL 53 -5.211 14.272 -6.228 941 3HG2 VAL 53 HG23 VAL 53 -6.792 14.700 -6.880 942 H CYS 54 HN CYS 54 -8.088 12.342 -8.311 943 HA CYS 54 HA CYS 54 -6.670 9.826 -8.625 944 1HB CYS 54 HB2 CYS 54 -9.400 10.198 -9.874 945 2HB CYS 54 HB1 CYS 54 -8.386 8.759 -9.926 946 HG CYS 54 HG CYS 54 -9.976 9.994 -7.152 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -7.064 5.269 -15.642 2 2H MET 1 HT2 MET 1 -8.635 4.636 -15.609 3 3H MET 1 HT3 MET 1 -7.358 3.763 -14.917 4 HA MET 1 HA MET 1 -8.402 6.371 -13.980 5 1HB MET 1 HB2 MET 1 -8.624 3.575 -12.844 6 2HB MET 1 HB1 MET 1 -9.009 5.027 -11.934 7 1HG MET 1 HG2 MET 1 -11.041 4.093 -12.734 8 2HG MET 1 HG1 MET 1 -10.728 5.570 -13.641 9 1HE MET 1 HE1 MET 1 -12.518 4.883 -15.465 10 2HE MET 1 HE2 MET 1 -12.867 3.412 -14.556 11 3HE MET 1 HE3 MET 1 -12.530 3.320 -16.285 12 H LYS 2 HN LYS 2 -7.379 7.210 -12.154 13 HA LYS 2 HA LYS 2 -5.681 7.762 -10.780 14 1HB LYS 2 HB2 LYS 2 -5.408 4.756 -10.671 15 2HB LYS 2 HB1 LYS 2 -4.535 5.857 -9.614 16 1HG LYS 2 HG2 LYS 2 -7.520 5.938 -9.786 17 2HG LYS 2 HG1 LYS 2 -6.701 4.762 -8.764 18 1HD LYS 2 HD2 LYS 2 -7.390 6.791 -7.535 19 2HD LYS 2 HD1 LYS 2 -5.646 6.532 -7.497 20 1HE LYS 2 HE2 LYS 2 -5.236 8.273 -8.990 21 2HE LYS 2 HE1 LYS 2 -6.905 8.305 -9.558 22 1HZ LYS 2 HZ1 LYS 2 -7.582 9.193 -7.428 23 2HZ LYS 2 HZ2 LYS 2 -6.417 10.190 -8.143 24 3HZ LYS 2 HZ3 LYS 2 -5.984 9.157 -6.862 25 H SER 3 HN SER 3 -3.227 6.956 -10.242 26 HA SER 3 HA SER 3 -1.729 7.542 -12.617 27 1HB SER 3 HB2 SER 3 -1.140 8.430 -10.360 28 2HB SER 3 HB1 SER 3 -0.748 6.788 -9.852 29 HG SER 3 HG SER 3 1.034 8.189 -10.629 30 H ILE 4 HN ILE 4 -2.385 4.778 -10.569 31 HA ILE 4 HA ILE 4 -0.811 3.062 -12.358 32 HB ILE 4 HB ILE 4 -2.095 2.112 -9.810 33 1HG1 ILE 4 HG12 ILE 4 0.602 3.469 -10.068 34 2HG1 ILE 4 HG11 ILE 4 -0.800 4.120 -9.220 35 1HG2 ILE 4 HG21 ILE 4 -0.216 0.520 -9.865 36 2HG2 ILE 4 HG22 ILE 4 0.360 1.272 -11.353 37 3HG2 ILE 4 HG23 ILE 4 -1.195 0.441 -11.330 38 1HD1 ILE 4 HD11 ILE 4 0.724 1.630 -8.477 39 2HD1 ILE 4 HD12 ILE 4 -0.685 2.268 -7.630 40 3HD1 ILE 4 HD13 ILE 4 0.816 3.194 -7.667 41 H GLY 5 HN GLY 5 -3.951 3.234 -10.714 42 1HA GLY 5 HA2 GLY 5 -6.039 2.963 -11.721 43 2HA GLY 5 HA1 GLY 5 -5.244 2.308 -13.143 44 H VAL 6 HN VAL 6 -4.468 1.131 -9.994 45 HA VAL 6 HA VAL 6 -6.048 -1.276 -10.549 46 HB VAL 6 HB VAL 6 -4.238 -2.635 -9.502 47 1HG1 VAL 6 HG11 VAL 6 -2.786 -2.652 -11.489 48 2HG1 VAL 6 HG12 VAL 6 -3.518 -1.135 -12.015 49 3HG1 VAL 6 HG13 VAL 6 -4.501 -2.596 -11.906 50 1HG2 VAL 6 HG21 VAL 6 -2.588 -0.137 -9.855 51 2HG2 VAL 6 HG22 VAL 6 -1.991 -1.721 -9.356 52 3HG2 VAL 6 HG23 VAL 6 -3.095 -0.824 -8.312 53 H VAL 7 HN VAL 7 -7.208 -2.009 -9.024 54 HA VAL 7 HA VAL 7 -6.870 -0.978 -6.298 55 HB VAL 7 HB VAL 7 -9.000 -0.289 -7.311 56 1HG1 VAL 7 HG11 VAL 7 -9.257 -2.119 -8.909 57 2HG1 VAL 7 HG12 VAL 7 -10.706 -1.919 -7.924 58 3HG1 VAL 7 HG13 VAL 7 -9.582 -3.235 -7.584 59 1HG2 VAL 7 HG21 VAL 7 -10.521 -1.195 -5.579 60 2HG2 VAL 7 HG22 VAL 7 -8.972 -0.649 -4.932 61 3HG2 VAL 7 HG23 VAL 7 -9.274 -2.372 -5.151 62 H ARG 8 HN ARG 8 -6.860 -2.465 -4.624 63 HA ARG 8 HA ARG 8 -6.506 -5.245 -5.510 64 1HB ARG 8 HB2 ARG 8 -4.908 -3.549 -3.737 65 2HB ARG 8 HB1 ARG 8 -5.281 -5.132 -3.057 66 1HG ARG 8 HG2 ARG 8 -3.127 -4.950 -4.366 67 2HG ARG 8 HG1 ARG 8 -4.222 -6.257 -4.840 68 1HD ARG 8 HD2 ARG 8 -5.119 -4.809 -6.623 69 2HD ARG 8 HD1 ARG 8 -3.932 -3.584 -6.197 70 HE ARG 8 HE ARG 8 -2.276 -5.490 -6.752 71 1HH1 ARG 8 HH11 ARG 8 -5.330 -4.837 -8.330 72 2HH1 ARG 8 HH12 ARG 8 -4.847 -5.506 -9.860 73 1HH2 ARG 8 HH21 ARG 8 -1.621 -6.395 -8.783 74 2HH2 ARG 8 HH22 ARG 8 -2.746 -6.419 -10.105 75 H LYS 9 HN LYS 9 -7.091 -6.885 -4.033 76 HA LYS 9 HA LYS 9 -9.233 -6.060 -2.202 77 1HB LYS 9 HB2 LYS 9 -9.183 -8.671 -3.717 78 2HB LYS 9 HB1 LYS 9 -10.536 -7.933 -2.866 79 1HG LYS 9 HG2 LYS 9 -9.267 -6.876 -5.390 80 2HG LYS 9 HG1 LYS 9 -10.782 -7.774 -5.298 81 1HD LYS 9 HD2 LYS 9 -11.813 -6.004 -4.030 82 2HD LYS 9 HD1 LYS 9 -10.283 -5.133 -3.909 83 1HE LYS 9 HE2 LYS 9 -11.767 -4.161 -5.598 84 2HE LYS 9 HE1 LYS 9 -10.270 -4.767 -6.309 85 1HZ LYS 9 HZ1 LYS 9 -12.884 -6.188 -6.316 86 2HZ LYS 9 HZ2 LYS 9 -11.449 -6.737 -7.035 87 3HZ LYS 9 HZ3 LYS 9 -12.214 -5.353 -7.633 88 H VAL 10 HN VAL 10 -8.777 -6.529 -0.198 89 HA VAL 10 HA VAL 10 -6.376 -7.625 0.630 90 HB VAL 10 HB VAL 10 -8.957 -7.077 2.068 91 1HG1 VAL 10 HG11 VAL 10 -6.423 -8.077 3.355 92 2HG1 VAL 10 HG12 VAL 10 -7.936 -8.975 3.223 93 3HG1 VAL 10 HG13 VAL 10 -7.867 -7.506 4.196 94 1HG2 VAL 10 HG21 VAL 10 -6.215 -5.843 2.241 95 2HG2 VAL 10 HG22 VAL 10 -7.663 -5.298 3.092 96 3HG2 VAL 10 HG23 VAL 10 -7.581 -5.196 1.333 97 H ASP 11 HN ASP 11 -5.725 -9.527 1.422 98 HA ASP 11 HA ASP 11 -6.838 -11.946 0.568 99 1HB ASP 11 HB2 ASP 11 -4.531 -11.947 1.003 100 2HB ASP 11 HB1 ASP 11 -4.725 -11.141 2.550 101 H GLU 12 HN GLU 12 -6.255 -11.425 3.977 102 HA GLU 12 HA GLU 12 -9.058 -11.392 4.711 103 1HB GLU 12 HB2 GLU 12 -7.190 -13.550 5.762 104 2HB GLU 12 HB1 GLU 12 -8.829 -13.255 6.319 105 1HG GLU 12 HG2 GLU 12 -9.637 -13.815 4.039 106 2HG GLU 12 HG1 GLU 12 -7.982 -14.248 3.613 107 H LEU 13 HN LEU 13 -5.700 -11.647 5.665 108 HA LEU 13 HA LEU 13 -5.920 -10.343 8.188 109 1HB LEU 13 HB2 LEU 13 -3.477 -10.593 6.447 110 2HB LEU 13 HB1 LEU 13 -3.522 -10.415 8.191 111 HG LEU 13 HG LEU 13 -4.617 -12.837 6.774 112 1HD1 LEU 13 HD11 LEU 13 -1.868 -12.476 7.958 113 2HD1 LEU 13 HD12 LEU 13 -2.234 -12.516 6.231 114 3HD1 LEU 13 HD13 LEU 13 -2.519 -13.946 7.229 115 1HD2 LEU 13 HD21 LEU 13 -5.407 -12.482 9.057 116 2HD2 LEU 13 HD22 LEU 13 -3.740 -12.352 9.620 117 3HD2 LEU 13 HD23 LEU 13 -4.335 -13.879 8.969 118 H GLY 14 HN GLY 14 -5.315 -9.299 4.919 119 1HA GLY 14 HA2 GLY 14 -5.786 -6.787 4.672 120 2HA GLY 14 HA1 GLY 14 -4.490 -6.634 5.853 121 H ARG 15 HN ARG 15 -3.658 -9.257 4.197 122 HA ARG 15 HA ARG 15 -1.525 -7.996 2.830 123 1HB ARG 15 HB2 ARG 15 -2.471 -10.807 2.317 124 2HB ARG 15 HB1 ARG 15 -0.836 -10.170 2.206 125 1HG ARG 15 HG2 ARG 15 -0.965 -9.801 4.710 126 2HG ARG 15 HG1 ARG 15 -2.433 -10.786 4.673 127 1HD ARG 15 HD2 ARG 15 -0.484 -12.141 5.228 128 2HD ARG 15 HD1 ARG 15 -1.176 -12.626 3.679 129 HE ARG 15 HE ARG 15 0.675 -11.035 2.773 130 1HH1 ARG 15 HH11 ARG 15 0.955 -13.270 5.462 131 2HH1 ARG 15 HH12 ARG 15 2.671 -13.469 5.279 132 1HH2 ARG 15 HH21 ARG 15 2.908 -11.291 2.536 133 2HH2 ARG 15 HH22 ARG 15 3.781 -12.336 3.609 134 H ILE 16 HN ILE 16 -1.338 -7.346 0.734 135 HA ILE 16 HA ILE 16 -3.308 -8.302 -1.207 136 HB ILE 16 HB ILE 16 -3.995 -6.245 -2.007 137 1HG1 ILE 16 HG12 ILE 16 -1.576 -5.051 -0.657 138 2HG1 ILE 16 HG11 ILE 16 -1.948 -5.135 -2.383 139 1HG2 ILE 16 HG21 ILE 16 -3.650 -5.746 0.942 140 2HG2 ILE 16 HG22 ILE 16 -4.977 -6.621 0.176 141 3HG2 ILE 16 HG23 ILE 16 -4.767 -4.896 -0.126 142 1HD1 ILE 16 HD11 ILE 16 -3.774 -3.549 -2.071 143 2HD1 ILE 16 HD12 ILE 16 -2.234 -2.878 -1.531 144 3HD1 ILE 16 HD13 ILE 16 -3.407 -3.458 -0.346 145 H VAL 17 HN VAL 17 -2.553 -7.128 -3.445 146 HA VAL 17 HA VAL 17 0.275 -7.895 -3.665 147 HB VAL 17 HB VAL 17 -1.004 -9.471 -4.890 148 1HG1 VAL 17 HG11 VAL 17 -2.423 -7.160 -6.211 149 2HG1 VAL 17 HG12 VAL 17 -3.110 -8.284 -5.038 150 3HG1 VAL 17 HG13 VAL 17 -2.623 -8.862 -6.630 151 1HG2 VAL 17 HG21 VAL 17 0.999 -8.736 -6.038 152 2HG2 VAL 17 HG22 VAL 17 0.101 -7.434 -6.818 153 3HG2 VAL 17 HG23 VAL 17 -0.268 -9.114 -7.206 154 H MET 18 HN MET 18 1.399 -6.029 -3.598 155 HA MET 18 HA MET 18 0.452 -3.655 -4.929 156 1HB MET 18 HB2 MET 18 3.178 -4.205 -3.732 157 2HB MET 18 HB1 MET 18 2.554 -2.633 -4.212 158 1HG MET 18 HG2 MET 18 1.669 -4.360 -1.924 159 2HG MET 18 HG1 MET 18 2.375 -2.746 -1.869 160 1HE MET 18 HE1 MET 18 0.865 -1.089 -4.002 161 2HE MET 18 HE2 MET 18 1.073 -0.527 -2.344 162 3HE MET 18 HE3 MET 18 -0.522 -0.479 -3.099 163 HA PRO 19 HA PRO 19 2.059 -4.655 -8.798 164 1HB PRO 19 HB2 PRO 19 2.219 -2.270 -10.007 165 2HB PRO 19 HB1 PRO 19 0.674 -2.969 -9.512 166 1HG PRO 19 HG2 PRO 19 2.268 -0.804 -8.242 167 2HG PRO 19 HG1 PRO 19 0.512 -0.993 -8.350 168 1HD PRO 19 HD2 PRO 19 2.086 -1.624 -6.127 169 2HD PRO 19 HD1 PRO 19 0.421 -2.166 -6.409 170 H ILE 20 HN ILE 20 3.804 -4.780 -10.168 171 HA ILE 20 HA ILE 20 6.398 -4.459 -9.286 172 HB ILE 20 HB ILE 20 5.989 -5.781 -11.224 173 1HG1 ILE 20 HG12 ILE 20 7.557 -4.821 -12.917 174 2HG1 ILE 20 HG11 ILE 20 7.530 -3.303 -12.031 175 1HG2 ILE 20 HG21 ILE 20 5.247 -4.746 -13.380 176 2HG2 ILE 20 HG22 ILE 20 4.886 -3.272 -12.475 177 3HG2 ILE 20 HG23 ILE 20 4.029 -4.771 -12.105 178 1HD1 ILE 20 HD11 ILE 20 8.531 -4.394 -10.107 179 2HD1 ILE 20 HD12 ILE 20 9.526 -4.599 -11.547 180 3HD1 ILE 20 HD13 ILE 20 8.529 -5.933 -10.968 181 H GLU 21 HN GLU 21 4.242 -2.170 -10.758 182 HA GLU 21 HA GLU 21 6.028 -0.136 -11.434 183 1HB GLU 21 HB2 GLU 21 3.177 0.131 -10.454 184 2HB GLU 21 HB1 GLU 21 4.069 1.313 -11.404 185 1HG GLU 21 HG2 GLU 21 3.399 -1.473 -12.322 186 2HG GLU 21 HG1 GLU 21 2.476 -0.024 -12.733 187 H LEU 22 HN LEU 22 4.685 -1.055 -8.299 188 HA LEU 22 HA LEU 22 5.626 1.383 -7.061 189 1HB LEU 22 HB2 LEU 22 4.139 0.841 -5.516 190 2HB LEU 22 HB1 LEU 22 3.836 -0.689 -6.294 191 HG LEU 22 HG LEU 22 6.162 -0.414 -4.417 192 1HD1 LEU 22 HD11 LEU 22 4.264 0.535 -3.220 193 2HD1 LEU 22 HD12 LEU 22 4.718 -1.033 -2.551 194 3HD1 LEU 22 HD13 LEU 22 3.303 -0.895 -3.596 195 1HD2 LEU 22 HD21 LEU 22 5.932 -2.482 -5.698 196 2HD2 LEU 22 HD22 LEU 22 4.296 -2.694 -5.075 197 3HD2 LEU 22 HD23 LEU 22 5.675 -2.771 -3.977 198 H ARG 23 HN ARG 23 6.629 -1.947 -7.458 199 HA ARG 23 HA ARG 23 8.956 -1.783 -5.844 200 1HB ARG 23 HB2 ARG 23 8.470 -3.466 -8.315 201 2HB ARG 23 HB1 ARG 23 9.840 -3.655 -7.224 202 1HG ARG 23 HG2 ARG 23 8.071 -3.972 -5.396 203 2HG ARG 23 HG1 ARG 23 6.951 -4.242 -6.735 204 1HD ARG 23 HD2 ARG 23 9.550 -5.737 -6.536 205 2HD ARG 23 HD1 ARG 23 8.119 -6.278 -5.661 206 HE ARG 23 HE ARG 23 7.028 -6.443 -7.896 207 1HH1 ARG 23 HH11 ARG 23 10.512 -6.528 -7.631 208 2HH1 ARG 23 HH12 ARG 23 10.733 -7.538 -9.023 209 1HH2 ARG 23 HH21 ARG 23 7.299 -7.832 -9.703 210 2HH2 ARG 23 HH22 ARG 23 8.901 -8.285 -10.204 211 H ARG 24 HN ARG 24 8.194 -0.707 -9.024 212 HA ARG 24 HA ARG 24 10.907 -0.100 -9.795 213 1HB ARG 24 HB2 ARG 24 8.221 0.474 -11.053 214 2HB ARG 24 HB1 ARG 24 9.763 0.911 -11.792 215 1HG ARG 24 HG2 ARG 24 10.386 -1.419 -11.929 216 2HG ARG 24 HG1 ARG 24 8.903 -1.888 -11.088 217 1HD ARG 24 HD2 ARG 24 8.600 -2.217 -13.459 218 2HD ARG 24 HD1 ARG 24 7.597 -0.861 -12.931 219 HE ARG 24 HE ARG 24 10.243 -0.281 -14.054 220 1HH1 ARG 24 HH11 ARG 24 6.749 -0.299 -14.487 221 2HH1 ARG 24 HH12 ARG 24 6.800 0.822 -15.813 222 1HH2 ARG 24 HH21 ARG 24 10.277 1.213 -15.781 223 2HH2 ARG 24 HH22 ARG 24 8.777 1.684 -16.537 224 H ALA 25 HN ALA 25 8.119 1.524 -8.501 225 HA ALA 25 HA ALA 25 8.966 4.191 -9.008 226 1HB ALA 25 HB1 ALA 25 7.020 3.131 -6.963 227 2HB ALA 25 HB2 ALA 25 6.624 3.666 -8.597 228 3HB ALA 25 HB3 ALA 25 7.218 4.825 -7.407 229 H LEU 26 HN LEU 26 9.325 1.933 -6.379 230 HA LEU 26 HA LEU 26 10.690 3.920 -4.758 231 1HB LEU 26 HB2 LEU 26 9.782 1.107 -4.229 232 2HB LEU 26 HB1 LEU 26 10.693 2.055 -3.063 233 HG LEU 26 HG LEU 26 7.994 2.835 -4.177 234 1HD1 LEU 26 HD11 LEU 26 8.721 1.649 -1.501 235 2HD1 LEU 26 HD12 LEU 26 7.826 0.840 -2.790 236 3HD1 LEU 26 HD13 LEU 26 7.126 2.238 -1.972 237 1HD2 LEU 26 HD21 LEU 26 8.010 4.496 -2.391 238 2HD2 LEU 26 HD22 LEU 26 9.363 4.734 -3.498 239 3HD2 LEU 26 HD23 LEU 26 9.632 3.987 -1.924 240 H ASP 27 HN ASP 27 11.500 0.499 -4.878 241 HA ASP 27 HA ASP 27 13.962 0.605 -6.184 242 1HB ASP 27 HB2 ASP 27 14.431 2.288 -4.349 243 2HB ASP 27 HB1 ASP 27 14.249 0.986 -3.185 244 H ILE 28 HN ILE 28 11.645 -1.145 -5.464 245 HA ILE 28 HA ILE 28 12.740 -3.134 -3.649 246 HB ILE 28 HB ILE 28 10.070 -2.981 -5.066 247 1HG1 ILE 28 HG12 ILE 28 9.256 -3.000 -2.659 248 2HG1 ILE 28 HG11 ILE 28 10.933 -2.780 -2.174 249 1HG2 ILE 28 HG21 ILE 28 9.439 -5.007 -3.866 250 2HG2 ILE 28 HG22 ILE 28 11.091 -5.168 -3.267 251 3HG2 ILE 28 HG23 ILE 28 10.761 -5.298 -4.997 252 1HD1 ILE 28 HD11 ILE 28 10.994 -0.672 -3.415 253 2HD1 ILE 28 HD12 ILE 28 9.762 -0.682 -2.153 254 3HD1 ILE 28 HD13 ILE 28 9.296 -0.893 -3.841 255 H ALA 29 HN ALA 29 13.705 -4.972 -4.204 256 HA ALA 29 HA ALA 29 13.960 -5.512 -7.070 257 1HB ALA 29 HB1 ALA 29 15.892 -6.863 -6.506 258 2HB ALA 29 HB2 ALA 29 15.562 -6.650 -4.787 259 3HB ALA 29 HB3 ALA 29 16.031 -5.265 -5.774 260 H ILE 30 HN ILE 30 13.286 -7.217 -4.056 261 HA ILE 30 HA ILE 30 11.453 -8.970 -5.470 262 HB ILE 30 HB ILE 30 13.653 -10.093 -5.673 263 1HG1 ILE 30 HG12 ILE 30 11.299 -11.264 -5.234 264 2HG1 ILE 30 HG11 ILE 30 12.782 -12.190 -5.429 265 1HG2 ILE 30 HG21 ILE 30 14.764 -9.357 -3.694 266 2HG2 ILE 30 HG22 ILE 30 14.650 -11.117 -3.631 267 3HG2 ILE 30 HG23 ILE 30 13.555 -10.125 -2.664 268 1HD1 ILE 30 HD11 ILE 30 12.980 -12.378 -3.005 269 2HD1 ILE 30 HD12 ILE 30 11.448 -13.029 -3.588 270 3HD1 ILE 30 HD13 ILE 30 11.495 -11.446 -2.810 271 H LYS 31 HN LYS 31 12.890 -7.801 -2.532 272 HA LYS 31 HA LYS 31 10.327 -8.179 -1.166 273 1HB LYS 31 HB2 LYS 31 13.015 -8.603 0.162 274 2HB LYS 31 HB1 LYS 31 11.434 -8.796 0.905 275 1HG LYS 31 HG2 LYS 31 11.013 -10.630 -0.785 276 2HG LYS 31 HG1 LYS 31 12.730 -10.525 -1.177 277 1HD LYS 31 HD2 LYS 31 12.501 -12.270 0.409 278 2HD LYS 31 HD1 LYS 31 13.196 -10.897 1.272 279 1HE LYS 31 HE2 LYS 31 11.070 -10.350 2.235 280 2HE LYS 31 HE1 LYS 31 10.254 -11.553 1.236 281 1HZ LYS 31 HZ1 LYS 31 10.542 -12.423 3.428 282 2HZ LYS 31 HZ2 LYS 31 12.203 -12.080 3.418 283 3HZ LYS 31 HZ3 LYS 31 11.578 -13.271 2.386 284 H ASP 32 HN ASP 32 13.517 -6.715 -1.063 285 HA ASP 32 HA ASP 32 14.306 -4.875 0.020 286 1HB ASP 32 HB2 ASP 32 12.585 -4.234 -2.231 287 2HB ASP 32 HB1 ASP 32 12.876 -2.854 -1.148 288 H SER 33 HN SER 33 11.696 -2.722 -0.113 289 HA SER 33 HA SER 33 10.659 -3.264 2.516 290 1HB SER 33 HB2 SER 33 12.411 -0.803 2.230 291 2HB SER 33 HB1 SER 33 11.606 -1.385 3.686 292 HG SER 33 HG SER 33 13.106 -3.369 2.840 293 H ILE 34 HN ILE 34 8.682 -2.314 2.723 294 HA ILE 34 HA ILE 34 8.225 0.267 1.384 295 HB ILE 34 HB ILE 34 6.041 -1.815 1.475 296 1HG1 ILE 34 HG12 ILE 34 6.516 -1.728 -1.140 297 2HG1 ILE 34 HG11 ILE 34 8.157 -1.398 -0.588 298 1HG2 ILE 34 HG21 ILE 34 6.368 0.752 -0.062 299 2HG2 ILE 34 HG22 ILE 34 5.338 0.499 1.348 300 3HG2 ILE 34 HG23 ILE 34 4.986 -0.338 -0.164 301 1HD1 ILE 34 HD11 ILE 34 7.857 -3.759 -0.990 302 2HD1 ILE 34 HD12 ILE 34 6.485 -3.795 0.123 303 3HD1 ILE 34 HD13 ILE 34 8.108 -3.464 0.733 304 H GLU 35 HN GLU 35 7.993 1.599 3.065 305 HA GLU 35 HA GLU 35 6.483 0.684 5.422 306 1HB GLU 35 HB2 GLU 35 8.740 1.490 5.900 307 2HB GLU 35 HB1 GLU 35 8.399 3.000 5.069 308 1HG GLU 35 HG2 GLU 35 6.794 3.612 6.760 309 2HG GLU 35 HG1 GLU 35 6.996 2.051 7.557 310 H PHE 36 HN PHE 36 4.643 1.782 6.074 311 HA PHE 36 HA PHE 36 3.729 3.805 4.151 312 1HB PHE 36 HB2 PHE 36 1.431 2.599 5.265 313 2HB PHE 36 HB1 PHE 36 2.005 2.524 3.606 314 HD1 PHE 36 HD1 PHE 36 1.579 0.728 6.702 315 HD2 PHE 36 HD2 PHE 36 3.441 0.661 2.878 316 HE1 PHE 36 HE1 PHE 36 1.916 -1.697 6.911 317 HE2 PHE 36 HE2 PHE 36 3.784 -1.764 3.083 318 HZ PHE 36 HZ PHE 36 3.021 -2.943 5.100 319 H PHE 37 HN PHE 37 2.274 5.346 4.789 320 HA PHE 37 HA PHE 37 2.151 5.958 7.678 321 1HB PHE 37 HB2 PHE 37 3.863 7.359 6.567 322 2HB PHE 37 HB1 PHE 37 2.687 7.849 5.360 323 HD1 PHE 37 HD1 PHE 37 0.655 9.200 6.171 324 HD2 PHE 37 HD2 PHE 37 4.161 8.591 8.507 325 HE1 PHE 37 HE1 PHE 37 0.083 11.164 7.534 326 HE2 PHE 37 HE2 PHE 37 3.587 10.550 9.881 327 HZ PHE 37 HZ PHE 37 1.548 11.839 9.395 328 H VAL 38 HN VAL 38 0.040 6.155 8.293 329 HA VAL 38 HA VAL 38 -1.916 6.467 6.164 330 HB VAL 38 HB VAL 38 -2.436 4.686 7.638 331 1HG1 VAL 38 HG11 VAL 38 -1.195 5.353 9.610 332 2HG1 VAL 38 HG12 VAL 38 -2.869 4.999 10.037 333 3HG1 VAL 38 HG13 VAL 38 -2.329 6.672 9.903 334 1HG2 VAL 38 HG21 VAL 38 -4.282 6.132 6.790 335 2HG2 VAL 38 HG22 VAL 38 -4.281 6.958 8.349 336 3HG2 VAL 38 HG23 VAL 38 -4.679 5.242 8.263 337 H ASP 39 HN ASP 39 -3.185 8.125 5.892 338 HA ASP 39 HA ASP 39 -2.846 10.479 7.619 339 1HB ASP 39 HB2 ASP 39 -1.233 10.739 5.826 340 2HB ASP 39 HB1 ASP 39 -2.452 10.348 4.621 341 H GLY 40 HN GLY 40 -4.889 10.699 8.329 342 1HA GLY 40 HA2 GLY 40 -7.166 11.045 8.287 343 2HA GLY 40 HA1 GLY 40 -7.035 11.286 6.548 344 H ASP 41 HN ASP 41 -7.516 9.650 5.176 345 HA ASP 41 HA ASP 41 -8.298 7.068 6.387 346 1HB ASP 41 HB2 ASP 41 -9.403 8.376 3.885 347 2HB ASP 41 HB1 ASP 41 -9.890 6.811 4.518 348 H LYS 42 HN LYS 42 -6.048 8.593 4.545 349 HA LYS 42 HA LYS 42 -5.834 6.625 2.413 350 1HB LYS 42 HB2 LYS 42 -5.664 8.759 1.534 351 2HB LYS 42 HB1 LYS 42 -4.813 9.381 2.938 352 1HG LYS 42 HG2 LYS 42 -2.824 8.051 2.213 353 2HG LYS 42 HG1 LYS 42 -3.692 7.692 0.717 354 1HD LYS 42 HD2 LYS 42 -2.203 9.596 0.395 355 2HD LYS 42 HD1 LYS 42 -3.886 10.126 0.291 356 1HE LYS 42 HE2 LYS 42 -3.765 10.828 2.665 357 2HE LYS 42 HE1 LYS 42 -2.060 10.386 2.678 358 1HZ LYS 42 HZ1 LYS 42 -1.617 12.069 1.032 359 2HZ LYS 42 HZ2 LYS 42 -2.416 12.764 2.353 360 3HZ LYS 42 HZ3 LYS 42 -3.268 12.456 0.923 361 H ILE 43 HN ILE 43 -3.791 5.667 1.883 362 HA ILE 43 HA ILE 43 -1.950 5.461 4.178 363 HB ILE 43 HB ILE 43 -2.478 3.328 2.094 364 1HG1 ILE 43 HG12 ILE 43 -4.352 3.688 3.747 365 2HG1 ILE 43 HG11 ILE 43 -3.649 2.075 3.764 366 1HG2 ILE 43 HG21 ILE 43 -1.042 1.909 3.404 367 2HG2 ILE 43 HG22 ILE 43 -0.849 3.164 4.627 368 3HG2 ILE 43 HG23 ILE 43 -0.175 3.396 3.013 369 1HD1 ILE 43 HD11 ILE 43 -3.024 4.274 5.725 370 2HD1 ILE 43 HD12 ILE 43 -2.381 2.630 5.760 371 3HD1 ILE 43 HD13 ILE 43 -4.104 2.909 6.014 372 H ILE 44 HN ILE 44 0.240 5.654 3.723 373 HA ILE 44 HA ILE 44 0.884 6.547 0.981 374 HB ILE 44 HB ILE 44 2.014 7.650 3.561 375 1HG1 ILE 44 HG12 ILE 44 0.091 9.031 1.684 376 2HG1 ILE 44 HG11 ILE 44 -0.443 8.138 3.107 377 1HG2 ILE 44 HG21 ILE 44 3.555 7.817 1.694 378 2HG2 ILE 44 HG22 ILE 44 2.934 9.413 2.115 379 3HG2 ILE 44 HG23 ILE 44 2.305 8.565 0.701 380 1HD1 ILE 44 HD11 ILE 44 -0.306 10.531 3.530 381 2HD1 ILE 44 HD12 ILE 44 1.412 10.509 3.122 382 3HD1 ILE 44 HD13 ILE 44 0.827 9.629 4.536 383 H LEU 45 HN LEU 45 2.217 5.079 0.100 384 HA LEU 45 HA LEU 45 3.978 3.537 1.852 385 1HB LEU 45 HB2 LEU 45 2.859 3.090 -0.879 386 2HB LEU 45 HB1 LEU 45 4.331 2.262 -0.414 387 HG LEU 45 HG LEU 45 3.132 1.265 1.514 388 1HD1 LEU 45 HD11 LEU 45 0.723 2.572 0.262 389 2HD1 LEU 45 HD12 LEU 45 1.406 2.920 1.851 390 3HD1 LEU 45 HD13 LEU 45 0.670 1.348 1.530 391 1HD2 LEU 45 HD21 LEU 45 3.353 0.030 -0.571 392 2HD2 LEU 45 HD22 LEU 45 1.874 0.771 -1.180 393 3HD2 LEU 45 HD23 LEU 45 1.807 -0.319 0.204 394 H LYS 46 HN LYS 46 6.106 3.589 1.791 395 HA LYS 46 HA LYS 46 7.538 4.921 -0.389 396 1HB LYS 46 HB2 LYS 46 8.770 6.362 1.077 397 2HB LYS 46 HB1 LYS 46 7.061 6.621 1.417 398 1HG LYS 46 HG2 LYS 46 7.172 5.338 3.405 399 2HG LYS 46 HG1 LYS 46 8.787 4.751 3.014 400 1HD LYS 46 HD2 LYS 46 9.580 7.126 3.153 401 2HD LYS 46 HD1 LYS 46 7.982 7.547 3.782 402 1HE LYS 46 HE2 LYS 46 9.536 7.197 5.613 403 2HE LYS 46 HE1 LYS 46 8.300 5.941 5.612 404 1HZ LYS 46 HZ1 LYS 46 11.129 5.723 4.796 405 2HZ LYS 46 HZ2 LYS 46 9.976 4.576 4.335 406 3HZ LYS 46 HZ3 LYS 46 10.294 4.831 5.981 407 H LYS 47 HN LYS 47 9.900 4.672 -0.062 408 HA LYS 47 HA LYS 47 10.522 1.949 0.774 409 1HB LYS 47 HB2 LYS 47 11.424 3.642 -1.239 410 2HB LYS 47 HB1 LYS 47 12.752 3.627 -0.093 411 1HG LYS 47 HG2 LYS 47 11.536 1.058 -0.999 412 2HG LYS 47 HG1 LYS 47 12.692 1.907 -2.025 413 1HD LYS 47 HD2 LYS 47 14.303 1.889 -0.145 414 2HD LYS 47 HD1 LYS 47 13.149 0.936 0.792 415 1HE LYS 47 HE2 LYS 47 13.299 -0.887 -0.717 416 2HE LYS 47 HE1 LYS 47 14.178 0.076 -1.902 417 1HZ LYS 47 HZ1 LYS 47 15.221 -0.661 0.783 418 2HZ LYS 47 HZ2 LYS 47 16.069 0.146 -0.445 419 3HZ LYS 47 HZ3 LYS 47 15.597 -1.471 -0.662 420 H TYR 48 HN TYR 48 12.156 1.473 2.355 421 HA TYR 48 HA TYR 48 11.989 3.244 4.607 422 1HB TYR 48 HB2 TYR 48 11.848 0.754 4.782 423 2HB TYR 48 HB1 TYR 48 13.540 0.665 4.299 424 HD1 TYR 48 HD1 TYR 48 15.258 0.889 5.887 425 HD2 TYR 48 HD2 TYR 48 11.277 1.948 6.950 426 HE1 TYR 48 HE1 TYR 48 15.949 1.099 8.237 427 HE2 TYR 48 HE2 TYR 48 11.957 2.160 9.303 428 HH TYR 48 HH TYR 48 13.712 1.370 10.796 429 H LYS 49 HN LYS 49 14.661 1.843 2.760 430 HA LYS 49 HA LYS 49 16.761 3.018 4.112 431 1HB LYS 49 HB2 LYS 49 16.888 1.128 2.520 432 2HB LYS 49 HB1 LYS 49 16.683 2.263 1.195 433 1HG LYS 49 HG2 LYS 49 19.000 1.723 1.391 434 2HG LYS 49 HG1 LYS 49 18.766 3.398 1.895 435 1HD LYS 49 HD2 LYS 49 18.881 2.754 4.220 436 2HD LYS 49 HD1 LYS 49 18.973 1.047 3.774 437 1HE LYS 49 HE2 LYS 49 21.003 3.164 3.067 438 2HE LYS 49 HE1 LYS 49 21.174 1.967 4.348 439 1HZ LYS 49 HZ1 LYS 49 22.339 1.323 2.318 440 2HZ LYS 49 HZ2 LYS 49 20.880 1.342 1.458 441 3HZ LYS 49 HZ3 LYS 49 21.112 0.215 2.701 442 HA PRO 50 HA PRO 50 17.357 6.430 0.857 443 1HB PRO 50 HB2 PRO 50 15.495 6.975 -1.019 444 2HB PRO 50 HB1 PRO 50 16.721 5.719 -1.226 445 1HG PRO 50 HG2 PRO 50 13.855 5.457 -0.425 446 2HG PRO 50 HG1 PRO 50 14.806 4.448 -1.532 447 1HD PRO 50 HD2 PRO 50 14.272 3.760 1.053 448 2HD PRO 50 HD1 PRO 50 15.716 3.221 0.175 449 H HIS 51 HN HIS 51 14.577 6.128 2.698 450 HA HIS 51 HA HIS 51 14.631 8.878 3.411 451 1HB HIS 51 HB2 HIS 51 13.268 8.818 1.218 452 2HB HIS 51 HB1 HIS 51 12.013 8.035 2.174 453 HD1 HIS 51 HD1 HIS 51 10.311 9.905 2.225 454 HD2 HIS 51 HD2 HIS 51 14.109 11.128 3.414 455 HE1 HIS 51 HE1 HIS 51 10.038 12.259 3.082 456 HE2 HIS 51 HE2 HIS 51 12.383 13.042 3.582 457 H GLY 52 HN GLY 52 15.045 7.633 5.352 458 1HA GLY 52 HA2 GLY 52 12.657 6.364 6.512 459 2HA GLY 52 HA1 GLY 52 14.304 6.179 7.101 460 H VAL 53 HN VAL 53 11.523 8.273 6.975 461 HA VAL 53 HA VAL 53 12.270 9.486 9.491 462 HB VAL 53 HB VAL 53 13.414 10.917 7.811 463 1HG1 VAL 53 HG11 VAL 53 12.095 12.324 6.308 464 2HG1 VAL 53 HG12 VAL 53 10.631 11.473 6.800 465 3HG1 VAL 53 HG13 VAL 53 11.904 10.610 5.937 466 1HG2 VAL 53 HG21 VAL 53 12.696 11.898 9.907 467 2HG2 VAL 53 HG22 VAL 53 11.107 12.244 9.225 468 3HG2 VAL 53 HG23 VAL 53 12.536 13.068 8.598 469 H CYS 54 HN CYS 54 10.512 10.408 10.564 470 HA CYS 54 HA CYS 54 7.926 9.537 9.603 471 1HB CYS 54 HB2 CYS 54 8.452 9.213 11.963 472 2HB CYS 54 HB1 CYS 54 8.714 10.943 12.168 473 HG CYS 54 HG CYS 54 6.167 11.700 12.193 474 1H MET 1 HT1 MET 1 7.374 6.080 15.120 475 2H MET 1 HT2 MET 1 8.880 5.310 15.190 476 3H MET 1 HT3 MET 1 7.508 4.446 14.689 477 HA MET 1 HA MET 1 8.784 6.707 13.266 478 1HB MET 1 HB2 MET 1 8.613 3.750 12.649 479 2HB MET 1 HB1 MET 1 9.122 4.959 11.483 480 1HG MET 1 HG2 MET 1 11.062 3.923 12.374 481 2HG MET 1 HG1 MET 1 10.982 5.564 13.005 482 1HE MET 1 HE1 MET 1 12.854 4.807 14.745 483 2HE MET 1 HE2 MET 1 12.812 3.133 14.190 484 3HE MET 1 HE3 MET 1 12.647 3.499 15.908 485 H LYS 2 HN LYS 2 7.647 7.599 11.620 486 HA LYS 2 HA LYS 2 5.914 8.167 10.275 487 1HB LYS 2 HB2 LYS 2 5.681 5.159 10.131 488 2HB LYS 2 HB1 LYS 2 4.788 6.261 9.093 489 1HG LYS 2 HG2 LYS 2 7.760 6.457 9.227 490 2HG LYS 2 HG1 LYS 2 7.012 5.171 8.283 491 1HD LYS 2 HD2 LYS 2 7.510 7.080 6.863 492 2HD LYS 2 HD1 LYS 2 5.766 6.858 6.995 493 1HE LYS 2 HE2 LYS 2 5.565 8.677 8.505 494 2HE LYS 2 HE1 LYS 2 7.312 8.789 8.706 495 1HZ LYS 2 HZ1 LYS 2 7.514 9.524 6.425 496 2HZ LYS 2 HZ2 LYS 2 6.432 10.526 7.251 497 3HZ LYS 2 HZ3 LYS 2 5.847 9.350 6.176 498 H SER 3 HN SER 3 3.451 6.989 9.779 499 HA SER 3 HA SER 3 1.984 7.718 12.166 500 1HB SER 3 HB2 SER 3 1.321 8.548 9.908 501 2HB SER 3 HB1 SER 3 0.967 6.887 9.434 502 HG SER 3 HG SER 3 -0.883 8.123 10.151 503 H ILE 4 HN ILE 4 2.617 4.930 10.142 504 HA ILE 4 HA ILE 4 1.124 3.212 11.992 505 HB ILE 4 HB ILE 4 2.394 2.286 9.424 506 1HG1 ILE 4 HG12 ILE 4 -0.358 3.520 9.733 507 2HG1 ILE 4 HG11 ILE 4 1.001 4.249 8.880 508 1HG2 ILE 4 HG21 ILE 4 0.756 0.546 9.533 509 2HG2 ILE 4 HG22 ILE 4 -0.085 1.346 10.859 510 3HG2 ILE 4 HG23 ILE 4 1.521 0.667 11.117 511 1HD1 ILE 4 HD11 ILE 4 -0.366 1.675 8.120 512 2HD1 ILE 4 HD12 ILE 4 0.956 2.451 7.250 513 3HD1 ILE 4 HD13 ILE 4 -0.616 3.243 7.353 514 H GLY 5 HN GLY 5 4.233 3.495 10.319 515 1HA GLY 5 HA2 GLY 5 6.357 3.211 11.178 516 2HA GLY 5 HA1 GLY 5 5.642 2.716 12.707 517 H VAL 6 HN VAL 6 4.741 1.223 9.693 518 HA VAL 6 HA VAL 6 6.423 -1.066 10.410 519 HB VAL 6 HB VAL 6 4.660 -2.593 9.529 520 1HG1 VAL 6 HG11 VAL 6 3.272 -2.537 11.544 521 2HG1 VAL 6 HG12 VAL 6 3.865 -0.915 11.903 522 3HG1 VAL 6 HG13 VAL 6 4.976 -2.284 11.925 523 1HG2 VAL 6 HG21 VAL 6 3.434 -0.879 8.225 524 2HG2 VAL 6 HG22 VAL 6 2.848 -0.194 9.742 525 3HG2 VAL 6 HG23 VAL 6 2.393 -1.835 9.280 526 H VAL 7 HN VAL 7 7.653 -1.812 8.873 527 HA VAL 7 HA VAL 7 7.166 -0.913 6.118 528 HB VAL 7 HB VAL 7 9.336 -0.232 7.103 529 1HG1 VAL 7 HG11 VAL 7 11.080 -1.903 7.506 530 2HG1 VAL 7 HG12 VAL 7 9.903 -3.189 7.237 531 3HG1 VAL 7 HG13 VAL 7 9.715 -2.094 8.605 532 1HG2 VAL 7 HG21 VAL 7 10.776 -1.160 5.262 533 2HG2 VAL 7 HG22 VAL 7 9.267 -0.406 4.751 534 3HG2 VAL 7 HG23 VAL 7 9.395 -2.164 4.801 535 H ARG 8 HN ARG 8 7.162 -2.405 4.456 536 HA ARG 8 HA ARG 8 6.749 -5.173 5.361 537 1HB ARG 8 HB2 ARG 8 5.206 -3.419 3.607 538 2HB ARG 8 HB1 ARG 8 5.532 -4.992 2.892 539 1HG ARG 8 HG2 ARG 8 3.383 -4.793 4.179 540 2HG ARG 8 HG1 ARG 8 4.442 -6.126 4.651 541 1HD ARG 8 HD2 ARG 8 5.291 -4.810 6.521 542 2HD ARG 8 HD1 ARG 8 4.263 -3.461 6.046 543 HE ARG 8 HE ARG 8 2.369 -5.123 6.457 544 1HH1 ARG 8 HH11 ARG 8 5.401 -5.142 8.215 545 2HH1 ARG 8 HH12 ARG 8 4.710 -5.840 9.650 546 1HH2 ARG 8 HH21 ARG 8 1.451 -6.003 8.373 547 2HH2 ARG 8 HH22 ARG 8 2.474 -6.306 9.744 548 H LYS 9 HN LYS 9 7.199 -6.824 3.758 549 HA LYS 9 HA LYS 9 9.469 -6.083 2.041 550 1HB LYS 9 HB2 LYS 9 9.199 -8.683 3.570 551 2HB LYS 9 HB1 LYS 9 10.590 -8.136 2.644 552 1HG LYS 9 HG2 LYS 9 9.558 -6.888 5.187 553 2HG LYS 9 HG1 LYS 9 10.980 -7.921 5.037 554 1HD LYS 9 HD2 LYS 9 12.069 -6.282 3.634 555 2HD LYS 9 HD1 LYS 9 10.626 -5.266 3.633 556 1HE LYS 9 HE2 LYS 9 12.233 -4.368 5.178 557 2HE LYS 9 HE1 LYS 9 10.856 -5.005 6.074 558 1HZ LYS 9 HZ1 LYS 9 13.360 -6.539 5.652 559 2HZ LYS 9 HZ2 LYS 9 12.094 -6.895 6.723 560 3HZ LYS 9 HZ3 LYS 9 13.092 -5.552 7.003 561 H VAL 10 HN VAL 10 8.961 -6.412 0.007 562 HA VAL 10 HA VAL 10 6.614 -7.565 -0.893 563 HB VAL 10 HB VAL 10 9.197 -6.855 -2.268 564 1HG1 VAL 10 HG11 VAL 10 6.808 -8.120 -3.611 565 2HG1 VAL 10 HG12 VAL 10 8.404 -8.851 -3.434 566 3HG1 VAL 10 HG13 VAL 10 8.201 -7.407 -4.427 567 1HG2 VAL 10 HG21 VAL 10 6.356 -5.880 -2.532 568 2HG2 VAL 10 HG22 VAL 10 7.756 -5.241 -3.397 569 3HG2 VAL 10 HG23 VAL 10 7.654 -5.080 -1.643 570 H ASP 11 HN ASP 11 6.023 -9.485 -1.659 571 HA ASP 11 HA ASP 11 7.206 -11.840 -0.705 572 1HB ASP 11 HB2 ASP 11 4.823 -11.701 -1.221 573 2HB ASP 11 HB1 ASP 11 5.182 -11.418 -2.920 574 H GLU 12 HN GLU 12 6.542 -11.568 -4.120 575 HA GLU 12 HA GLU 12 9.345 -11.374 -4.845 576 1HB GLU 12 HB2 GLU 12 7.601 -13.615 -5.917 577 2HB GLU 12 HB1 GLU 12 9.241 -13.249 -6.432 578 1HG GLU 12 HG2 GLU 12 9.975 -13.717 -4.081 579 2HG GLU 12 HG1 GLU 12 8.341 -14.304 -3.772 580 H LEU 13 HN LEU 13 6.009 -11.719 -5.807 581 HA LEU 13 HA LEU 13 6.192 -10.398 -8.315 582 1HB LEU 13 HB2 LEU 13 3.772 -10.643 -6.537 583 2HB LEU 13 HB1 LEU 13 3.794 -10.465 -8.280 584 HG LEU 13 HG LEU 13 4.850 -12.898 -6.846 585 1HD1 LEU 13 HD11 LEU 13 2.162 -12.527 -8.155 586 2HD1 LEU 13 HD12 LEU 13 2.439 -12.514 -6.412 587 3HD1 LEU 13 HD13 LEU 13 2.763 -13.978 -7.350 588 1HD2 LEU 13 HD21 LEU 13 4.113 -12.377 -9.727 589 2HD2 LEU 13 HD22 LEU 13 4.624 -13.929 -9.064 590 3HD2 LEU 13 HD23 LEU 13 5.744 -12.568 -9.085 591 H GLY 14 HN GLY 14 5.584 -9.398 -5.032 592 1HA GLY 14 HA2 GLY 14 6.085 -6.925 -4.677 593 2HA GLY 14 HA1 GLY 14 4.856 -6.686 -5.924 594 H ARG 15 HN ARG 15 3.889 -9.342 -4.367 595 HA ARG 15 HA ARG 15 1.757 -8.150 -2.972 596 1HB ARG 15 HB2 ARG 15 2.941 -10.921 -2.665 597 2HB ARG 15 HB1 ARG 15 1.374 -10.413 -2.049 598 1HG ARG 15 HG2 ARG 15 0.767 -9.896 -4.462 599 2HG ARG 15 HG1 ARG 15 2.226 -10.787 -4.906 600 1HD ARG 15 HD2 ARG 15 0.180 -12.170 -4.965 601 2HD ARG 15 HD1 ARG 15 1.400 -12.777 -3.847 602 HE ARG 15 HE ARG 15 0.052 -12.060 -2.028 603 1HH1 ARG 15 HH11 ARG 15 -1.498 -11.678 -5.157 604 2HH1 ARG 15 HH12 ARG 15 -3.100 -11.567 -4.483 605 1HH2 ARG 15 HH21 ARG 15 -2.075 -11.917 -1.157 606 2HH2 ARG 15 HH22 ARG 15 -3.424 -11.729 -2.240 607 H ILE 16 HN ILE 16 1.601 -7.373 -0.926 608 HA ILE 16 HA ILE 16 3.566 -8.253 1.065 609 HB ILE 16 HB ILE 16 4.280 -6.178 1.756 610 1HG1 ILE 16 HG12 ILE 16 1.791 -5.027 0.499 611 2HG1 ILE 16 HG11 ILE 16 2.240 -5.077 2.209 612 1HG2 ILE 16 HG21 ILE 16 3.804 -5.749 -1.185 613 2HG2 ILE 16 HG22 ILE 16 5.189 -6.555 -0.449 614 3HG2 ILE 16 HG23 ILE 16 4.930 -4.831 -0.186 615 1HD1 ILE 16 HD11 ILE 16 2.493 -2.837 1.389 616 2HD1 ILE 16 HD12 ILE 16 3.508 -3.394 0.057 617 3HD1 ILE 16 HD13 ILE 16 4.091 -3.512 1.719 618 H VAL 17 HN VAL 17 2.778 -7.064 3.280 619 HA VAL 17 HA VAL 17 -0.075 -7.754 3.432 620 HB VAL 17 HB VAL 17 1.064 -9.321 4.766 621 1HG1 VAL 17 HG11 VAL 17 3.243 -8.242 4.866 622 2HG1 VAL 17 HG12 VAL 17 2.720 -8.750 6.472 623 3HG1 VAL 17 HG13 VAL 17 2.614 -7.053 6.006 624 1HG2 VAL 17 HG21 VAL 17 -0.882 -8.436 5.878 625 2HG2 VAL 17 HG22 VAL 17 0.066 -7.114 6.566 626 3HG2 VAL 17 HG23 VAL 17 0.368 -8.779 7.075 627 H MET 18 HN MET 18 -1.207 -5.910 3.338 628 HA MET 18 HA MET 18 -0.255 -3.521 4.632 629 1HB MET 18 HB2 MET 18 -2.977 -4.062 3.418 630 2HB MET 18 HB1 MET 18 -2.341 -2.491 3.893 631 1HG MET 18 HG2 MET 18 -1.463 -4.244 1.620 632 2HG MET 18 HG1 MET 18 -2.131 -2.616 1.553 633 1HE MET 18 HE1 MET 18 -0.659 -0.999 3.683 634 2HE MET 18 HE2 MET 18 -0.697 -0.386 2.027 635 3HE MET 18 HE3 MET 18 0.829 -0.449 2.907 636 HA PRO 19 HA PRO 19 -1.781 -4.488 8.516 637 1HB PRO 19 HB2 PRO 19 -2.001 -2.035 9.648 638 2HB PRO 19 HB1 PRO 19 -0.456 -2.808 9.289 639 1HG PRO 19 HG2 PRO 19 -1.836 -0.604 7.884 640 2HG PRO 19 HG1 PRO 19 -0.107 -0.953 8.022 641 1HD PRO 19 HD2 PRO 19 -1.741 -1.490 5.806 642 2HD PRO 19 HD1 PRO 19 -0.106 -2.121 6.088 643 H ILE 20 HN ILE 20 -3.502 -4.511 9.966 644 HA ILE 20 HA ILE 20 -6.097 -4.219 8.989 645 HB ILE 20 HB ILE 20 -5.775 -5.581 10.915 646 1HG1 ILE 20 HG12 ILE 20 -7.406 -4.607 12.537 647 2HG1 ILE 20 HG11 ILE 20 -7.290 -3.076 11.672 648 1HG2 ILE 20 HG21 ILE 20 -4.711 -3.118 12.283 649 2HG2 ILE 20 HG22 ILE 20 -3.815 -4.579 11.862 650 3HG2 ILE 20 HG23 ILE 20 -5.069 -4.638 13.104 651 1HD1 ILE 20 HD11 ILE 20 -8.164 -4.124 9.676 652 2HD1 ILE 20 HD12 ILE 20 -9.278 -4.294 11.033 653 3HD1 ILE 20 HD13 ILE 20 -8.290 -5.666 10.522 654 H GLU 21 HN GLU 21 -3.932 -1.974 10.527 655 HA GLU 21 HA GLU 21 -5.677 0.118 11.115 656 1HB GLU 21 HB2 GLU 21 -2.836 0.363 10.124 657 2HB GLU 21 HB1 GLU 21 -3.718 1.535 11.098 658 1HG GLU 21 HG2 GLU 21 -2.941 -1.241 11.950 659 2HG GLU 21 HG1 GLU 21 -2.150 0.258 12.450 660 H LEU 22 HN LEU 22 -4.416 -0.973 8.052 661 HA LEU 22 HA LEU 22 -5.217 1.405 6.620 662 1HB LEU 22 HB2 LEU 22 -3.560 0.454 5.386 663 2HB LEU 22 HB1 LEU 22 -3.902 -1.160 5.978 664 HG LEU 22 HG LEU 22 -5.902 -0.045 4.104 665 1HD1 LEU 22 HD11 LEU 22 -3.128 -0.814 3.207 666 2HD1 LEU 22 HD12 LEU 22 -3.874 0.777 3.063 667 3HD1 LEU 22 HD13 LEU 22 -4.516 -0.586 2.146 668 1HD2 LEU 22 HD21 LEU 22 -5.976 -2.346 5.046 669 2HD2 LEU 22 HD22 LEU 22 -4.459 -2.694 4.211 670 3HD2 LEU 22 HD23 LEU 22 -5.906 -2.313 3.280 671 H ARG 23 HN ARG 23 -6.362 -1.860 7.189 672 HA ARG 23 HA ARG 23 -8.739 -1.628 5.657 673 1HB ARG 23 HB2 ARG 23 -8.220 -3.388 8.058 674 2HB ARG 23 HB1 ARG 23 -9.532 -3.588 6.902 675 1HG ARG 23 HG2 ARG 23 -7.703 -3.783 5.134 676 2HG ARG 23 HG1 ARG 23 -6.592 -3.997 6.484 677 1HD ARG 23 HD2 ARG 23 -9.036 -5.692 5.956 678 2HD ARG 23 HD1 ARG 23 -7.393 -6.130 5.500 679 HE ARG 23 HE ARG 23 -6.986 -5.923 8.037 680 1HH1 ARG 23 HH11 ARG 23 -9.957 -7.029 6.573 681 2HH1 ARG 23 HH12 ARG 23 -10.335 -8.142 7.849 682 1HH2 ARG 23 HH21 ARG 23 -7.462 -7.426 9.721 683 2HH2 ARG 23 HH22 ARG 23 -8.911 -8.377 9.620 684 H ARG 24 HN ARG 24 -7.860 -0.568 8.809 685 HA ARG 24 HA ARG 24 -10.543 0.100 9.663 686 1HB ARG 24 HB2 ARG 24 -7.804 0.720 10.800 687 2HB ARG 24 HB1 ARG 24 -9.314 1.200 11.567 688 1HG ARG 24 HG2 ARG 24 -9.920 -1.071 11.953 689 2HG ARG 24 HG1 ARG 24 -8.577 -1.655 10.967 690 1HD ARG 24 HD2 ARG 24 -7.908 -1.925 13.220 691 2HD ARG 24 HD1 ARG 24 -7.036 -0.518 12.614 692 HE ARG 24 HE ARG 24 -9.464 0.251 13.880 693 1HH1 ARG 24 HH11 ARG 24 -6.162 -0.743 14.546 694 2HH1 ARG 24 HH12 ARG 24 -6.159 -0.058 16.148 695 1HH2 ARG 24 HH21 ARG 24 -9.453 1.128 15.971 696 2HH2 ARG 24 HH22 ARG 24 -8.029 0.992 16.966 697 H ALA 25 HN ALA 25 -7.782 1.589 8.179 698 HA ALA 25 HA ALA 25 -8.402 4.314 8.507 699 1HB ALA 25 HB1 ALA 25 -6.903 2.871 6.311 700 2HB ALA 25 HB2 ALA 25 -6.208 3.578 7.781 701 3HB ALA 25 HB3 ALA 25 -6.908 4.624 6.544 702 H LEU 26 HN LEU 26 -8.927 2.115 5.810 703 HA LEU 26 HA LEU 26 -10.653 4.003 4.480 704 1HB LEU 26 HB2 LEU 26 -9.927 1.168 3.756 705 2HB LEU 26 HB1 LEU 26 -10.757 2.312 2.716 706 HG LEU 26 HG LEU 26 -7.951 2.721 3.749 707 1HD1 LEU 26 HD11 LEU 26 -7.205 2.082 1.515 708 2HD1 LEU 26 HD12 LEU 26 -8.863 1.679 1.070 709 3HD1 LEU 26 HD13 LEU 26 -8.033 0.746 2.317 710 1HD2 LEU 26 HD21 LEU 26 -9.567 4.086 1.603 711 2HD2 LEU 26 HD22 LEU 26 -7.862 4.387 1.937 712 3HD2 LEU 26 HD23 LEU 26 -9.081 4.773 3.151 713 H ASP 27 HN ASP 27 -11.385 0.625 4.424 714 HA ASP 27 HA ASP 27 -13.209 0.368 6.491 715 1HB ASP 27 HB2 ASP 27 -15.355 0.398 5.087 716 2HB ASP 27 HB1 ASP 27 -14.699 1.948 5.587 717 H ILE 28 HN ILE 28 -11.281 -1.209 5.374 718 HA ILE 28 HA ILE 28 -12.460 -3.034 3.466 719 HB ILE 28 HB ILE 28 -9.756 -3.060 4.817 720 1HG1 ILE 28 HG12 ILE 28 -8.862 -2.589 2.616 721 2HG1 ILE 28 HG11 ILE 28 -10.466 -2.733 1.888 722 1HG2 ILE 28 HG21 ILE 28 -9.235 -4.934 3.257 723 2HG2 ILE 28 HG22 ILE 28 -10.952 -5.024 2.873 724 3HG2 ILE 28 HG23 ILE 28 -10.397 -5.343 4.517 725 1HD1 ILE 28 HD11 ILE 28 -11.166 -0.762 3.143 726 2HD1 ILE 28 HD12 ILE 28 -9.809 -0.436 2.053 727 3HD1 ILE 28 HD13 ILE 28 -9.527 -0.613 3.789 728 H ALA 29 HN ALA 29 -13.484 -4.841 3.926 729 HA ALA 29 HA ALA 29 -13.855 -5.429 6.748 730 1HB ALA 29 HB1 ALA 29 -15.309 -6.532 4.363 731 2HB ALA 29 HB2 ALA 29 -15.797 -5.109 5.281 732 3HB ALA 29 HB3 ALA 29 -15.789 -6.699 6.053 733 H ILE 30 HN ILE 30 -12.891 -7.056 3.790 734 HA ILE 30 HA ILE 30 -11.157 -8.817 5.251 735 HB ILE 30 HB ILE 30 -13.377 -9.921 5.526 736 1HG1 ILE 30 HG12 ILE 30 -11.083 -11.149 5.280 737 2HG1 ILE 30 HG11 ILE 30 -12.575 -12.077 5.302 738 1HG2 ILE 30 HG21 ILE 30 -14.469 -9.291 3.502 739 2HG2 ILE 30 HG22 ILE 30 -14.388 -11.052 3.568 740 3HG2 ILE 30 HG23 ILE 30 -13.277 -10.154 2.530 741 1HD1 ILE 30 HD11 ILE 30 -11.014 -12.879 3.615 742 2HD1 ILE 30 HD12 ILE 30 -11.038 -11.296 2.836 743 3HD1 ILE 30 HD13 ILE 30 -12.503 -12.279 2.885 744 H LYS 31 HN LYS 31 -12.675 -7.822 2.270 745 HA LYS 31 HA LYS 31 -10.071 -8.122 0.953 746 1HB LYS 31 HB2 LYS 31 -12.729 -8.569 -0.425 747 2HB LYS 31 HB1 LYS 31 -11.129 -8.760 -1.128 748 1HG LYS 31 HG2 LYS 31 -10.766 -10.559 0.653 749 2HG LYS 31 HG1 LYS 31 -12.513 -10.500 0.882 750 1HD LYS 31 HD2 LYS 31 -12.012 -12.263 -0.665 751 2HD LYS 31 HD1 LYS 31 -12.775 -10.946 -1.558 752 1HE LYS 31 HE2 LYS 31 -10.649 -10.205 -2.392 753 2HE LYS 31 HE1 LYS 31 -9.795 -11.364 -1.373 754 1HZ LYS 31 HZ1 LYS 31 -11.630 -12.039 -3.615 755 2HZ LYS 31 HZ2 LYS 31 -10.828 -13.158 -2.628 756 3HZ LYS 31 HZ3 LYS 31 -9.938 -12.143 -3.644 757 H ASP 32 HN ASP 32 -13.278 -6.673 0.774 758 HA ASP 32 HA ASP 32 -14.041 -4.786 -0.221 759 1HB ASP 32 HB2 ASP 32 -12.255 -4.177 2.001 760 2HB ASP 32 HB1 ASP 32 -12.557 -2.790 0.936 761 H SER 33 HN SER 33 -11.403 -2.681 -0.108 762 HA SER 33 HA SER 33 -10.409 -3.212 -2.759 763 1HB SER 33 HB2 SER 33 -12.204 -0.796 -2.360 764 2HB SER 33 HB1 SER 33 -11.315 -1.204 -3.831 765 HG SER 33 HG SER 33 -12.823 -3.298 -3.065 766 H ILE 34 HN ILE 34 -8.402 -2.335 -2.945 767 HA ILE 34 HA ILE 34 -7.918 0.276 -1.682 768 HB ILE 34 HB ILE 34 -5.782 -1.859 -1.692 769 1HG1 ILE 34 HG12 ILE 34 -6.222 -1.575 0.920 770 2HG1 ILE 34 HG11 ILE 34 -7.860 -1.248 0.357 771 1HG2 ILE 34 HG21 ILE 34 -4.658 -0.318 -0.147 772 2HG2 ILE 34 HG22 ILE 34 -5.994 0.818 -0.331 773 3HG2 ILE 34 HG23 ILE 34 -4.978 0.421 -1.716 774 1HD1 ILE 34 HD11 ILE 34 -7.642 -3.569 0.910 775 2HD1 ILE 34 HD12 ILE 34 -6.237 -3.726 -0.151 776 3HD1 ILE 34 HD13 ILE 34 -7.829 -3.404 -0.839 777 H GLU 35 HN GLU 35 -7.776 1.503 -3.447 778 HA GLU 35 HA GLU 35 -6.309 0.534 -5.794 779 1HB GLU 35 HB2 GLU 35 -8.580 1.419 -6.144 780 2HB GLU 35 HB1 GLU 35 -8.096 2.945 -5.420 781 1HG GLU 35 HG2 GLU 35 -6.576 3.374 -7.238 782 2HG GLU 35 HG1 GLU 35 -6.922 1.794 -7.942 783 H PHE 36 HN PHE 36 -4.445 1.552 -6.533 784 HA PHE 36 HA PHE 36 -3.387 3.516 -4.594 785 1HB PHE 36 HB2 PHE 36 -1.312 2.186 -6.138 786 2HB PHE 36 HB1 PHE 36 -1.453 2.421 -4.404 787 HD1 PHE 36 HD1 PHE 36 -1.521 0.072 -7.027 788 HD2 PHE 36 HD2 PHE 36 -3.068 0.868 -3.147 789 HE1 PHE 36 HE1 PHE 36 -1.966 -2.327 -6.714 790 HE2 PHE 36 HE2 PHE 36 -3.516 -1.524 -2.830 791 HZ PHE 36 HZ PHE 36 -2.961 -3.124 -4.612 792 H PHE 37 HN PHE 37 -1.954 5.080 -5.230 793 HA PHE 37 HA PHE 37 -1.932 5.862 -8.081 794 1HB PHE 37 HB2 PHE 37 -3.580 7.260 -6.968 795 2HB PHE 37 HB1 PHE 37 -2.490 7.549 -5.618 796 HD1 PHE 37 HD1 PHE 37 -0.534 9.036 -5.912 797 HD2 PHE 37 HD2 PHE 37 -3.487 8.581 -8.935 798 HE1 PHE 37 HE1 PHE 37 0.236 11.118 -6.969 799 HE2 PHE 37 HE2 PHE 37 -2.716 10.658 -10.001 800 HZ PHE 37 HZ PHE 37 -0.855 11.930 -9.021 801 H VAL 38 HN VAL 38 0.182 6.066 -8.740 802 HA VAL 38 HA VAL 38 2.175 6.280 -6.632 803 HB VAL 38 HB VAL 38 2.611 4.541 -8.230 804 1HG1 VAL 38 HG11 VAL 38 3.123 5.008 -10.578 805 2HG1 VAL 38 HG12 VAL 38 2.664 6.693 -10.334 806 3HG1 VAL 38 HG13 VAL 38 1.457 5.418 -10.172 807 1HG2 VAL 38 HG21 VAL 38 4.450 6.067 -7.245 808 2HG2 VAL 38 HG22 VAL 38 4.619 6.656 -8.901 809 3HG2 VAL 38 HG23 VAL 38 4.877 4.948 -8.543 810 H ASP 39 HN ASP 39 3.478 7.943 -6.315 811 HA ASP 39 HA ASP 39 3.180 10.300 -8.051 812 1HB ASP 39 HB2 ASP 39 1.648 10.671 -6.205 813 2HB ASP 39 HB1 ASP 39 2.905 10.267 -5.038 814 H GLY 40 HN GLY 40 5.171 10.461 -8.843 815 1HA GLY 40 HA2 GLY 40 7.437 10.842 -8.904 816 2HA GLY 40 HA1 GLY 40 7.362 11.175 -7.177 817 H ASP 41 HN ASP 41 7.530 9.437 -5.706 818 HA ASP 41 HA ASP 41 8.636 6.941 -6.834 819 1HB ASP 41 HB2 ASP 41 9.450 8.085 -4.161 820 2HB ASP 41 HB1 ASP 41 10.234 6.808 -5.083 821 H LYS 42 HN LYS 42 6.366 8.472 -4.796 822 HA LYS 42 HA LYS 42 6.204 6.242 -2.935 823 1HB LYS 42 HB2 LYS 42 5.345 7.685 -1.409 824 2HB LYS 42 HB1 LYS 42 6.096 8.891 -2.446 825 1HG LYS 42 HG2 LYS 42 4.008 9.320 -3.546 826 2HG LYS 42 HG1 LYS 42 3.230 7.997 -2.652 827 1HD LYS 42 HD2 LYS 42 2.622 10.085 -1.629 828 2HD LYS 42 HD1 LYS 42 3.748 9.254 -0.549 829 1HE LYS 42 HE2 LYS 42 4.570 11.424 -0.567 830 2HE LYS 42 HE1 LYS 42 5.552 10.604 -1.783 831 1HZ LYS 42 HZ1 LYS 42 4.182 11.535 -3.518 832 2HZ LYS 42 HZ2 LYS 42 4.791 12.773 -2.538 833 3HZ LYS 42 HZ3 LYS 42 3.175 12.284 -2.377 834 H ILE 43 HN ILE 43 3.925 5.693 -2.223 835 HA ILE 43 HA ILE 43 2.191 5.426 -4.579 836 HB ILE 43 HB ILE 43 2.748 3.251 -2.539 837 1HG1 ILE 43 HG12 ILE 43 4.492 3.784 -4.411 838 2HG1 ILE 43 HG11 ILE 43 4.024 2.114 -4.124 839 1HG2 ILE 43 HG21 ILE 43 1.382 1.910 -4.295 840 2HG2 ILE 43 HG22 ILE 43 0.771 3.503 -4.764 841 3HG2 ILE 43 HG23 ILE 43 0.546 2.919 -3.117 842 1HD1 ILE 43 HD11 ILE 43 3.097 1.888 -6.157 843 2HD1 ILE 43 HD12 ILE 43 4.105 3.295 -6.550 844 3HD1 ILE 43 HD13 ILE 43 2.408 3.522 -6.129 845 H ILE 44 HN ILE 44 0.010 5.605 -4.164 846 HA ILE 44 HA ILE 44 -0.680 6.480 -1.426 847 HB ILE 44 HB ILE 44 -1.869 7.483 -4.017 848 1HG1 ILE 44 HG12 ILE 44 0.251 8.671 -2.220 849 2HG1 ILE 44 HG11 ILE 44 0.404 8.229 -3.921 850 1HG2 ILE 44 HG21 ILE 44 -3.386 7.587 -2.112 851 2HG2 ILE 44 HG22 ILE 44 -2.898 9.201 -2.630 852 3HG2 ILE 44 HG23 ILE 44 -2.176 8.481 -1.190 853 1HD1 ILE 44 HD11 ILE 44 -1.328 10.447 -2.835 854 2HD1 ILE 44 HD12 ILE 44 -1.115 10.022 -4.535 855 3HD1 ILE 44 HD13 ILE 44 0.247 10.646 -3.605 856 H LEU 45 HN LEU 45 -2.112 5.196 -0.473 857 HA LEU 45 HA LEU 45 -3.765 3.469 -2.177 858 1HB LEU 45 HB2 LEU 45 -2.591 3.142 0.543 859 2HB LEU 45 HB1 LEU 45 -4.063 2.276 0.152 860 HG LEU 45 HG LEU 45 -2.920 1.202 -1.752 861 1HD1 LEU 45 HD11 LEU 45 -0.474 2.613 -0.696 862 2HD1 LEU 45 HD12 LEU 45 -1.269 2.907 -2.245 863 3HD1 LEU 45 HD13 LEU 45 -0.484 1.357 -1.935 864 1HD2 LEU 45 HD21 LEU 45 -3.004 0.083 0.404 865 2HD2 LEU 45 HD22 LEU 45 -1.517 0.893 0.900 866 3HD2 LEU 45 HD23 LEU 45 -1.488 -0.271 -0.425 867 H LYS 46 HN LYS 46 -5.891 3.505 -2.136 868 HA LYS 46 HA LYS 46 -7.370 4.774 0.053 869 1HB LYS 46 HB2 LYS 46 -8.626 6.223 -1.401 870 2HB LYS 46 HB1 LYS 46 -6.918 6.543 -1.688 871 1HG LYS 46 HG2 LYS 46 -6.942 5.285 -3.707 872 2HG LYS 46 HG1 LYS 46 -8.570 4.691 -3.383 873 1HD LYS 46 HD2 LYS 46 -9.353 7.073 -3.492 874 2HD LYS 46 HD1 LYS 46 -7.735 7.501 -4.063 875 1HE LYS 46 HE2 LYS 46 -9.222 7.195 -5.950 876 2HE LYS 46 HE1 LYS 46 -8.000 5.926 -5.929 877 1HZ LYS 46 HZ1 LYS 46 -10.856 5.724 -5.211 878 2HZ LYS 46 HZ2 LYS 46 -9.731 4.561 -4.726 879 3HZ LYS 46 HZ3 LYS 46 -9.990 4.836 -6.379 880 H LYS 47 HN LYS 47 -9.731 4.376 -0.223 881 HA LYS 47 HA LYS 47 -10.167 1.735 -1.392 882 1HB LYS 47 HB2 LYS 47 -11.071 2.641 0.920 883 2HB LYS 47 HB1 LYS 47 -12.352 3.313 -0.075 884 1HG LYS 47 HG2 LYS 47 -11.665 0.406 -0.314 885 2HG LYS 47 HG1 LYS 47 -12.647 0.977 1.037 886 1HD LYS 47 HD2 LYS 47 -14.201 1.992 -0.618 887 2HD LYS 47 HD1 LYS 47 -13.249 1.245 -1.903 888 1HE LYS 47 HE2 LYS 47 -15.113 -0.178 -1.469 889 2HE LYS 47 HE1 LYS 47 -13.678 -0.967 -0.814 890 1HZ LYS 47 HZ1 LYS 47 -15.850 0.398 0.652 891 2HZ LYS 47 HZ2 LYS 47 -14.342 0.117 1.373 892 3HZ LYS 47 HZ3 LYS 47 -15.282 -1.193 0.839 893 H TYR 48 HN TYR 48 -11.839 1.355 -2.958 894 HA TYR 48 HA TYR 48 -11.704 3.308 -5.027 895 1HB TYR 48 HB2 TYR 48 -11.657 0.826 -5.409 896 2HB TYR 48 HB1 TYR 48 -13.357 0.779 -4.945 897 HD1 TYR 48 HD1 TYR 48 -15.049 1.243 -6.507 898 HD2 TYR 48 HD2 TYR 48 -11.014 2.212 -7.441 899 HE1 TYR 48 HE1 TYR 48 -15.713 1.753 -8.816 900 HE2 TYR 48 HE2 TYR 48 -11.665 2.723 -9.756 901 HH TYR 48 HH TYR 48 -13.449 2.156 -11.326 902 H LYS 49 HN LYS 49 -14.429 1.829 -3.299 903 HA LYS 49 HA LYS 49 -16.498 3.073 -4.568 904 1HB LYS 49 HB2 LYS 49 -16.736 1.195 -3.025 905 2HB LYS 49 HB1 LYS 49 -16.392 2.259 -1.670 906 1HG LYS 49 HG2 LYS 49 -18.770 1.849 -1.852 907 2HG LYS 49 HG1 LYS 49 -18.408 3.549 -2.153 908 1HD LYS 49 HD2 LYS 49 -18.499 3.083 -4.588 909 2HD LYS 49 HD1 LYS 49 -18.988 1.429 -4.218 910 1HE LYS 49 HE2 LYS 49 -20.478 3.927 -3.421 911 2HE LYS 49 HE1 LYS 49 -20.904 2.863 -4.760 912 1HZ LYS 49 HZ1 LYS 49 -22.203 2.473 -2.714 913 2HZ LYS 49 HZ2 LYS 49 -20.783 1.995 -1.920 914 3HZ LYS 49 HZ3 LYS 49 -21.361 1.098 -3.240 915 HA PRO 50 HA PRO 50 -17.036 6.447 -1.147 916 1HB PRO 50 HB2 PRO 50 -14.305 6.792 -0.062 917 2HB PRO 50 HB1 PRO 50 -15.854 6.738 0.785 918 1HG PRO 50 HG2 PRO 50 -14.139 4.697 0.917 919 2HG PRO 50 HG1 PRO 50 -15.890 4.425 0.847 920 1HD PRO 50 HD2 PRO 50 -13.844 4.179 -1.324 921 2HD PRO 50 HD1 PRO 50 -15.234 3.134 -0.963 922 H HIS 51 HN HIS 51 -13.780 6.390 -2.555 923 HA HIS 51 HA HIS 51 -14.357 8.972 -3.815 924 1HB HIS 51 HB2 HIS 51 -12.965 9.210 -1.689 925 2HB HIS 51 HB1 HIS 51 -11.682 8.368 -2.547 926 HD1 HIS 51 HD1 HIS 51 -10.078 10.344 -2.582 927 HD2 HIS 51 HD2 HIS 51 -13.787 11.204 -4.270 928 HE1 HIS 51 HE1 HIS 51 -9.811 12.579 -3.717 929 HE2 HIS 51 HE2 HIS 51 -12.032 13.031 -4.825 930 H GLY 52 HN GLY 52 -14.734 7.677 -5.675 931 1HA GLY 52 HA2 GLY 52 -12.379 6.320 -6.790 932 2HA GLY 52 HA1 GLY 52 -14.041 6.100 -7.328 933 H VAL 53 HN VAL 53 -11.253 8.187 -7.404 934 HA VAL 53 HA VAL 53 -12.097 9.234 -9.974 935 HB VAL 53 HB VAL 53 -13.030 10.819 -8.270 936 1HG1 VAL 53 HG11 VAL 53 -11.470 12.307 -7.086 937 2HG1 VAL 53 HG12 VAL 53 -10.125 11.310 -7.643 938 3HG1 VAL 53 HG13 VAL 53 -11.339 10.629 -6.559 939 1HG2 VAL 53 HG21 VAL 53 -12.190 12.859 -9.350 940 2HG2 VAL 53 HG22 VAL 53 -12.550 11.591 -10.520 941 3HG2 VAL 53 HG23 VAL 53 -10.878 11.926 -10.071 942 H CYS 54 HN CYS 54 -10.398 10.066 -11.190 943 HA CYS 54 HA CYS 54 -7.779 9.082 -10.471 944 1HB CYS 54 HB2 CYS 54 -8.623 8.827 -12.768 945 2HB CYS 54 HB1 CYS 54 -8.755 10.575 -12.924 946 HG CYS 54 HG CYS 54 -6.139 11.107 -13.177 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -8.305 9.827 -13.282 2 2H MET 1 HT2 MET 1 -9.225 9.258 -11.980 3 3H MET 1 HT3 MET 1 -9.767 9.024 -13.568 4 HA MET 1 HA MET 1 -8.840 7.007 -12.591 5 1HB MET 1 HB2 MET 1 -7.527 6.380 -14.499 6 2HB MET 1 HB1 MET 1 -8.784 7.471 -15.058 7 1HG MET 1 HG2 MET 1 -5.898 8.181 -14.576 8 2HG MET 1 HG1 MET 1 -6.662 7.932 -16.144 9 1HE MET 1 HE1 MET 1 -5.685 10.282 -16.940 10 2HE MET 1 HE2 MET 1 -4.955 10.540 -15.355 11 3HE MET 1 HE3 MET 1 -5.957 11.797 -16.081 12 H LYS 2 HN LYS 2 -7.306 6.078 -11.357 13 HA LYS 2 HA LYS 2 -5.356 7.649 -10.043 14 1HB LYS 2 HB2 LYS 2 -5.448 4.643 -10.330 15 2HB LYS 2 HB1 LYS 2 -4.499 5.538 -9.155 16 1HG LYS 2 HG2 LYS 2 -7.482 5.735 -9.258 17 2HG LYS 2 HG1 LYS 2 -6.660 4.449 -8.380 18 1HD LYS 2 HD2 LYS 2 -5.352 6.478 -7.318 19 2HD LYS 2 HD1 LYS 2 -6.805 7.365 -7.796 20 1HE LYS 2 HE2 LYS 2 -6.731 4.877 -6.108 21 2HE LYS 2 HE1 LYS 2 -6.984 6.520 -5.517 22 1HZ LYS 2 HZ1 LYS 2 -9.098 5.435 -5.728 23 2HZ LYS 2 HZ2 LYS 2 -8.784 4.986 -7.329 24 3HZ LYS 2 HZ3 LYS 2 -9.004 6.619 -6.934 25 H SER 3 HN SER 3 -3.026 7.029 -10.000 26 HA SER 3 HA SER 3 -1.800 7.333 -12.513 27 1HB SER 3 HB2 SER 3 -0.647 6.363 -9.885 28 2HB SER 3 HB1 SER 3 0.293 6.953 -11.263 29 HG SER 3 HG SER 3 -0.460 8.972 -10.929 30 H ILE 4 HN ILE 4 -2.100 4.545 -10.341 31 HA ILE 4 HA ILE 4 -0.869 2.810 -12.318 32 HB ILE 4 HB ILE 4 -2.069 1.576 -9.921 33 1HG1 ILE 4 HG12 ILE 4 0.161 3.614 -9.711 34 2HG1 ILE 4 HG11 ILE 4 -1.382 3.618 -8.850 35 1HG2 ILE 4 HG21 ILE 4 -0.652 0.350 -11.478 36 2HG2 ILE 4 HG22 ILE 4 0.089 0.421 -9.880 37 3HG2 ILE 4 HG23 ILE 4 0.676 1.470 -11.170 38 1HD1 ILE 4 HD11 ILE 4 0.823 1.599 -8.475 39 2HD1 ILE 4 HD12 ILE 4 -0.702 1.660 -7.590 40 3HD1 ILE 4 HD13 ILE 4 0.475 2.962 -7.411 41 H GLY 5 HN GLY 5 -3.970 3.455 -10.835 42 1HA GLY 5 HA2 GLY 5 -6.093 3.039 -11.615 43 2HA GLY 5 HA1 GLY 5 -5.368 2.393 -13.082 44 H VAL 6 HN VAL 6 -4.375 1.112 -10.041 45 HA VAL 6 HA VAL 6 -5.977 -1.295 -10.573 46 HB VAL 6 HB VAL 6 -4.150 -2.629 -9.562 47 1HG1 VAL 6 HG11 VAL 6 -2.589 -2.458 -11.479 48 2HG1 VAL 6 HG12 VAL 6 -3.409 -0.972 -11.969 49 3HG1 VAL 6 HG13 VAL 6 -4.287 -2.502 -11.959 50 1HG2 VAL 6 HG21 VAL 6 -3.084 -0.924 -8.212 51 2HG2 VAL 6 HG22 VAL 6 -2.614 -0.036 -9.662 52 3HG2 VAL 6 HG23 VAL 6 -1.917 -1.622 -9.333 53 H VAL 7 HN VAL 7 -7.159 -2.063 -9.045 54 HA VAL 7 HA VAL 7 -6.865 -1.012 -6.311 55 HB VAL 7 HB VAL 7 -8.977 -0.292 -7.305 56 1HG1 VAL 7 HG11 VAL 7 -9.235 -2.053 -8.980 57 2HG1 VAL 7 HG12 VAL 7 -10.688 -1.883 -7.996 58 3HG1 VAL 7 HG13 VAL 7 -9.578 -3.222 -7.704 59 1HG2 VAL 7 HG21 VAL 7 -10.522 -1.207 -5.631 60 2HG2 VAL 7 HG22 VAL 7 -8.955 -0.788 -4.933 61 3HG2 VAL 7 HG23 VAL 7 -9.349 -2.474 -5.259 62 H ARG 8 HN ARG 8 -6.869 -2.483 -4.638 63 HA ARG 8 HA ARG 8 -6.492 -5.259 -5.524 64 1HB ARG 8 HB2 ARG 8 -4.825 -3.519 -3.961 65 2HB ARG 8 HB1 ARG 8 -5.295 -4.915 -3.002 66 1HG ARG 8 HG2 ARG 8 -3.208 -5.361 -4.102 67 2HG ARG 8 HG1 ARG 8 -4.465 -6.395 -4.780 68 1HD ARG 8 HD2 ARG 8 -3.814 -3.784 -6.077 69 2HD ARG 8 HD1 ARG 8 -2.780 -5.179 -6.355 70 HE ARG 8 HE ARG 8 -5.655 -5.438 -6.865 71 1HH1 ARG 8 HH11 ARG 8 -2.379 -5.270 -8.066 72 2HH1 ARG 8 HH12 ARG 8 -2.792 -5.755 -9.682 73 1HH2 ARG 8 HH21 ARG 8 -6.232 -6.052 -9.001 74 2HH2 ARG 8 HH22 ARG 8 -4.998 -6.169 -10.219 75 H LYS 9 HN LYS 9 -7.248 -6.895 -4.245 76 HA LYS 9 HA LYS 9 -9.259 -6.074 -2.268 77 1HB LYS 9 HB2 LYS 9 -9.246 -8.169 -4.386 78 2HB LYS 9 HB1 LYS 9 -10.051 -8.555 -2.874 79 1HG LYS 9 HG2 LYS 9 -11.540 -7.652 -4.664 80 2HG LYS 9 HG1 LYS 9 -11.607 -6.787 -3.133 81 1HD LYS 9 HD2 LYS 9 -11.619 -5.184 -4.916 82 2HD LYS 9 HD1 LYS 9 -10.063 -5.079 -4.096 83 1HE LYS 9 HE2 LYS 9 -9.660 -4.963 -6.451 84 2HE LYS 9 HE1 LYS 9 -9.113 -6.542 -5.887 85 1HZ LYS 9 HZ1 LYS 9 -11.091 -7.551 -6.757 86 2HZ LYS 9 HZ2 LYS 9 -10.376 -6.629 -7.982 87 3HZ LYS 9 HZ3 LYS 9 -11.743 -6.043 -7.178 88 H VAL 10 HN VAL 10 -8.824 -6.589 -0.274 89 HA VAL 10 HA VAL 10 -6.400 -7.644 0.546 90 HB VAL 10 HB VAL 10 -9.001 -7.213 2.000 91 1HG1 VAL 10 HG11 VAL 10 -7.883 -9.048 3.143 92 2HG1 VAL 10 HG12 VAL 10 -7.820 -7.572 4.108 93 3HG1 VAL 10 HG13 VAL 10 -6.395 -8.105 3.218 94 1HG2 VAL 10 HG21 VAL 10 -6.334 -5.822 2.106 95 2HG2 VAL 10 HG22 VAL 10 -7.764 -5.385 3.042 96 3HG2 VAL 10 HG23 VAL 10 -7.778 -5.237 1.283 97 H ASP 11 HN ASP 11 -5.723 -9.546 1.310 98 HA ASP 11 HA ASP 11 -6.817 -11.977 0.455 99 1HB ASP 11 HB2 ASP 11 -4.536 -12.063 0.841 100 2HB ASP 11 HB1 ASP 11 -4.642 -11.097 2.304 101 H GLU 12 HN GLU 12 -6.213 -11.421 3.860 102 HA GLU 12 HA GLU 12 -9.022 -11.445 4.590 103 1HB GLU 12 HB2 GLU 12 -7.118 -13.521 5.728 104 2HB GLU 12 HB1 GLU 12 -8.782 -13.263 6.219 105 1HG GLU 12 HG2 GLU 12 -9.481 -13.910 3.914 106 2HG GLU 12 HG1 GLU 12 -7.800 -14.336 3.593 107 H LEU 13 HN LEU 13 -5.649 -11.531 5.511 108 HA LEU 13 HA LEU 13 -6.029 -10.222 8.051 109 1HB LEU 13 HB2 LEU 13 -3.446 -10.638 6.571 110 2HB LEU 13 HB1 LEU 13 -3.681 -10.483 8.303 111 HG LEU 13 HG LEU 13 -4.814 -12.814 6.783 112 1HD1 LEU 13 HD11 LEU 13 -2.074 -12.656 8.030 113 2HD1 LEU 13 HD12 LEU 13 -2.398 -12.610 6.293 114 3HD1 LEU 13 HD13 LEU 13 -2.799 -14.056 7.233 115 1HD2 LEU 13 HD21 LEU 13 -5.626 -12.441 9.058 116 2HD2 LEU 13 HD22 LEU 13 -3.967 -12.421 9.655 117 3HD2 LEU 13 HD23 LEU 13 -4.640 -13.901 8.971 118 H GLY 14 HN GLY 14 -5.613 -9.217 4.829 119 1HA GLY 14 HA2 GLY 14 -5.742 -6.760 4.460 120 2HA GLY 14 HA1 GLY 14 -4.493 -6.621 5.691 121 H ARG 15 HN ARG 15 -3.722 -9.332 4.131 122 HA ARG 15 HA ARG 15 -1.495 -8.203 2.798 123 1HB ARG 15 HB2 ARG 15 -2.607 -10.969 2.289 124 2HB ARG 15 HB1 ARG 15 -0.938 -10.439 2.173 125 1HG ARG 15 HG2 ARG 15 -0.928 -10.122 4.641 126 2HG ARG 15 HG1 ARG 15 -2.551 -10.820 4.693 127 1HD ARG 15 HD2 ARG 15 -0.112 -12.206 3.585 128 2HD ARG 15 HD1 ARG 15 -0.763 -12.455 5.203 129 HE ARG 15 HE ARG 15 -2.902 -13.000 3.672 130 1HH1 ARG 15 HH11 ARG 15 0.426 -14.099 3.550 131 2HH1 ARG 15 HH12 ARG 15 0.034 -15.615 2.796 132 1HH2 ARG 15 HH21 ARG 15 -3.423 -14.982 2.665 133 2HH2 ARG 15 HH22 ARG 15 -2.152 -16.116 2.281 134 H ILE 16 HN ILE 16 -1.347 -7.395 0.779 135 HA ILE 16 HA ILE 16 -3.244 -8.310 -1.260 136 HB ILE 16 HB ILE 16 -3.978 -6.239 -1.950 137 1HG1 ILE 16 HG12 ILE 16 -1.586 -5.027 -0.561 138 2HG1 ILE 16 HG11 ILE 16 -1.909 -5.123 -2.296 139 1HG2 ILE 16 HG21 ILE 16 -4.909 -6.697 0.251 140 2HG2 ILE 16 HG22 ILE 16 -4.749 -4.963 -0.025 141 3HG2 ILE 16 HG23 ILE 16 -3.588 -5.801 1.005 142 1HD1 ILE 16 HD11 ILE 16 -2.275 -2.878 -1.474 143 2HD1 ILE 16 HD12 ILE 16 -3.447 -3.479 -0.301 144 3HD1 ILE 16 HD13 ILE 16 -3.789 -3.594 -2.028 145 H VAL 17 HN VAL 17 -2.409 -7.063 -3.460 146 HA VAL 17 HA VAL 17 0.443 -7.755 -3.526 147 HB VAL 17 HB VAL 17 -0.737 -9.355 -4.838 148 1HG1 VAL 17 HG11 VAL 17 -2.827 -8.163 -5.173 149 2HG1 VAL 17 HG12 VAL 17 -2.201 -8.764 -6.708 150 3HG1 VAL 17 HG13 VAL 17 -2.036 -7.058 -6.294 151 1HG2 VAL 17 HG21 VAL 17 1.360 -8.579 -5.797 152 2HG2 VAL 17 HG22 VAL 17 0.504 -7.311 -6.676 153 3HG2 VAL 17 HG23 VAL 17 0.215 -9.006 -7.068 154 H MET 18 HN MET 18 1.751 -6.112 -3.766 155 HA MET 18 HA MET 18 0.800 -3.618 -4.917 156 1HB MET 18 HB2 MET 18 3.365 -4.436 -3.574 157 2HB MET 18 HB1 MET 18 3.228 -2.906 -4.440 158 1HG MET 18 HG2 MET 18 1.474 -3.779 -2.161 159 2HG MET 18 HG1 MET 18 2.829 -2.654 -2.043 160 1HE MET 18 HE1 MET 18 -0.619 -2.602 -1.638 161 2HE MET 18 HE2 MET 18 -0.829 -0.860 -1.813 162 3HE MET 18 HE3 MET 18 0.484 -1.495 -0.822 163 HA PRO 19 HA PRO 19 2.291 -4.557 -8.863 164 1HB PRO 19 HB2 PRO 19 2.362 -2.157 -10.021 165 2HB PRO 19 HB1 PRO 19 0.842 -2.843 -9.430 166 1HG PRO 19 HG2 PRO 19 2.567 -0.729 -8.234 167 2HG PRO 19 HG1 PRO 19 0.800 -0.873 -8.234 168 1HD PRO 19 HD2 PRO 19 2.507 -1.606 -6.129 169 2HD PRO 19 HD1 PRO 19 0.806 -2.075 -6.306 170 H ILE 20 HN ILE 20 4.007 -4.607 -10.282 171 HA ILE 20 HA ILE 20 6.615 -4.278 -9.466 172 HB ILE 20 HB ILE 20 6.165 -5.533 -11.438 173 1HG1 ILE 20 HG12 ILE 20 7.690 -4.501 -13.124 174 2HG1 ILE 20 HG11 ILE 20 7.669 -3.015 -12.183 175 1HG2 ILE 20 HG21 ILE 20 5.015 -2.993 -12.576 176 2HG2 ILE 20 HG22 ILE 20 4.174 -4.506 -12.232 177 3HG2 ILE 20 HG23 ILE 20 5.358 -4.434 -13.538 178 1HD1 ILE 20 HD11 ILE 20 8.715 -4.152 -10.322 179 2HD1 ILE 20 HD12 ILE 20 9.679 -4.339 -11.787 180 3HD1 ILE 20 HD13 ILE 20 8.682 -5.675 -11.210 181 H GLU 21 HN GLU 21 4.395 -1.958 -10.824 182 HA GLU 21 HA GLU 21 6.138 0.126 -11.450 183 1HB GLU 21 HB2 GLU 21 3.302 0.328 -10.422 184 2HB GLU 21 HB1 GLU 21 4.162 1.541 -11.364 185 1HG GLU 21 HG2 GLU 21 3.456 -1.229 -12.308 186 2HG GLU 21 HG1 GLU 21 2.591 0.255 -12.721 187 H LEU 22 HN LEU 22 4.885 -0.909 -8.322 188 HA LEU 22 HA LEU 22 5.786 1.524 -7.046 189 1HB LEU 22 HB2 LEU 22 4.324 0.893 -5.504 190 2HB LEU 22 HB1 LEU 22 4.094 -0.649 -6.286 191 HG LEU 22 HG LEU 22 6.444 -0.278 -4.460 192 1HD1 LEU 22 HD11 LEU 22 4.542 0.605 -3.213 193 2HD1 LEU 22 HD12 LEU 22 5.074 -0.942 -2.556 194 3HD1 LEU 22 HD13 LEU 22 3.627 -0.863 -3.560 195 1HD2 LEU 22 HD21 LEU 22 6.252 -2.349 -5.738 196 2HD2 LEU 22 HD22 LEU 22 4.638 -2.616 -5.077 197 3HD2 LEU 22 HD23 LEU 22 6.043 -2.652 -4.012 198 H ARG 23 HN ARG 23 6.863 -1.769 -7.555 199 HA ARG 23 HA ARG 23 9.232 -1.575 -5.993 200 1HB ARG 23 HB2 ARG 23 8.843 -3.223 -8.509 201 2HB ARG 23 HB1 ARG 23 10.093 -3.452 -7.292 202 1HG ARG 23 HG2 ARG 23 8.204 -3.848 -5.645 203 2HG ARG 23 HG1 ARG 23 7.149 -3.983 -7.055 204 1HD ARG 23 HD2 ARG 23 9.613 -5.647 -6.540 205 2HD ARG 23 HD1 ARG 23 7.954 -6.170 -6.265 206 HE ARG 23 HE ARG 23 8.193 -5.354 -8.929 207 1HH1 ARG 23 HH11 ARG 23 9.404 -7.849 -6.816 208 2HH1 ARG 23 HH12 ARG 23 9.496 -9.053 -8.059 209 1HH2 ARG 23 HH21 ARG 23 8.346 -6.951 -10.606 210 2HH2 ARG 23 HH22 ARG 23 8.925 -8.536 -10.204 211 H ARG 24 HN ARG 24 8.347 -0.408 -9.104 212 HA ARG 24 HA ARG 24 11.042 0.212 -9.958 213 1HB ARG 24 HB2 ARG 24 8.328 0.812 -11.161 214 2HB ARG 24 HB1 ARG 24 9.868 1.203 -11.928 215 1HG ARG 24 HG2 ARG 24 10.430 -1.119 -12.110 216 2HG ARG 24 HG1 ARG 24 9.019 -1.582 -11.152 217 1HD ARG 24 HD2 ARG 24 8.428 -1.985 -13.401 218 2HD ARG 24 HD1 ARG 24 7.613 -0.488 -12.955 219 HE ARG 24 HE ARG 24 10.146 0.013 -14.166 220 1HH1 ARG 24 HH11 ARG 24 6.779 -0.744 -14.841 221 2HH1 ARG 24 HH12 ARG 24 6.865 -0.188 -16.486 222 1HH2 ARG 24 HH21 ARG 24 10.230 0.772 -16.327 223 2HH2 ARG 24 HH22 ARG 24 8.803 0.680 -17.323 224 H ALA 25 HN ALA 25 8.246 1.818 -8.618 225 HA ALA 25 HA ALA 25 9.106 4.491 -9.069 226 1HB ALA 25 HB1 ALA 25 7.144 3.393 -7.055 227 2HB ALA 25 HB2 ALA 25 6.761 3.962 -8.682 228 3HB ALA 25 HB3 ALA 25 7.348 5.098 -7.465 229 H LEU 26 HN LEU 26 9.290 2.254 -6.383 230 HA LEU 26 HA LEU 26 10.691 4.183 -4.745 231 1HB LEU 26 HB2 LEU 26 9.738 1.375 -4.253 232 2HB LEU 26 HB1 LEU 26 10.632 2.310 -3.065 233 HG LEU 26 HG LEU 26 7.973 3.135 -4.231 234 1HD1 LEU 26 HD11 LEU 26 7.722 1.106 -2.923 235 2HD1 LEU 26 HD12 LEU 26 7.052 2.481 -2.044 236 3HD1 LEU 26 HD13 LEU 26 8.627 1.827 -1.592 237 1HD2 LEU 26 HD21 LEU 26 9.581 4.193 -1.905 238 2HD2 LEU 26 HD22 LEU 26 7.973 4.744 -2.380 239 3HD2 LEU 26 HD23 LEU 26 9.346 4.995 -3.457 240 H ASP 27 HN ASP 27 11.402 0.767 -4.852 241 HA ASP 27 HA ASP 27 13.830 0.578 -6.067 242 1HB ASP 27 HB2 ASP 27 14.606 2.444 -4.628 243 2HB ASP 27 HB1 ASP 27 14.176 1.514 -3.199 244 H ILE 28 HN ILE 28 11.993 -1.179 -5.884 245 HA ILE 28 HA ILE 28 12.786 -3.037 -3.735 246 HB ILE 28 HB ILE 28 10.111 -2.756 -5.117 247 1HG1 ILE 28 HG12 ILE 28 9.362 -2.814 -2.656 248 2HG1 ILE 28 HG11 ILE 28 11.058 -2.558 -2.247 249 1HG2 ILE 28 HG21 ILE 28 9.394 -4.751 -3.873 250 2HG2 ILE 28 HG22 ILE 28 11.071 -5.035 -3.400 251 3HG2 ILE 28 HG23 ILE 28 10.609 -5.096 -5.104 252 1HD1 ILE 28 HD11 ILE 28 9.824 -0.482 -2.218 253 2HD1 ILE 28 HD12 ILE 28 9.327 -0.727 -3.893 254 3HD1 ILE 28 HD13 ILE 28 11.029 -0.466 -3.506 255 H ALA 29 HN ALA 29 13.556 -4.995 -4.267 256 HA ALA 29 HA ALA 29 13.827 -5.537 -7.128 257 1HB ALA 29 HB1 ALA 29 15.330 -6.740 -4.819 258 2HB ALA 29 HB2 ALA 29 15.899 -5.412 -5.833 259 3HB ALA 29 HB3 ALA 29 15.657 -7.013 -6.531 260 H ILE 30 HN ILE 30 13.302 -7.341 -4.151 261 HA ILE 30 HA ILE 30 11.384 -9.047 -5.537 262 HB ILE 30 HB ILE 30 13.592 -10.142 -5.801 263 1HG1 ILE 30 HG12 ILE 30 11.326 -11.380 -5.452 264 2HG1 ILE 30 HG11 ILE 30 12.825 -12.297 -5.451 265 1HG2 ILE 30 HG21 ILE 30 13.577 -10.240 -2.795 266 2HG2 ILE 30 HG22 ILE 30 14.734 -9.410 -3.837 267 3HG2 ILE 30 HG23 ILE 30 14.669 -11.173 -3.820 268 1HD1 ILE 30 HD11 ILE 30 11.309 -13.034 -3.700 269 2HD1 ILE 30 HD12 ILE 30 11.305 -11.412 -3.006 270 3HD1 ILE 30 HD13 ILE 30 12.790 -12.365 -3.020 271 H LYS 31 HN LYS 31 12.899 -7.957 -2.599 272 HA LYS 31 HA LYS 31 10.345 -8.302 -1.219 273 1HB LYS 31 HB2 LYS 31 13.058 -8.703 0.057 274 2HB LYS 31 HB1 LYS 31 11.495 -8.895 0.838 275 1HG LYS 31 HG2 LYS 31 11.048 -10.754 -0.822 276 2HG LYS 31 HG1 LYS 31 12.756 -10.645 -1.251 277 1HD LYS 31 HD2 LYS 31 12.439 -12.388 0.395 278 2HD LYS 31 HD1 LYS 31 13.339 -11.051 1.118 279 1HE LYS 31 HE2 LYS 31 11.229 -10.203 2.077 280 2HE LYS 31 HE1 LYS 31 10.394 -11.610 1.418 281 1HZ LYS 31 HZ1 LYS 31 11.764 -13.032 2.788 282 2HZ LYS 31 HZ2 LYS 31 10.956 -11.897 3.754 283 3HZ LYS 31 HZ3 LYS 31 12.604 -11.696 3.406 284 H ASP 32 HN ASP 32 13.555 -6.867 -1.033 285 HA ASP 32 HA ASP 32 14.309 -5.018 0.036 286 1HB ASP 32 HB2 ASP 32 12.587 -4.328 -2.224 287 2HB ASP 32 HB1 ASP 32 12.977 -2.970 -1.148 288 H SER 33 HN SER 33 11.782 -2.793 -0.109 289 HA SER 33 HA SER 33 10.666 -3.373 2.486 290 1HB SER 33 HB2 SER 33 12.545 -0.992 2.313 291 2HB SER 33 HB1 SER 33 11.650 -1.548 3.726 292 HG SER 33 HG SER 33 13.070 -3.604 2.887 293 H ILE 34 HN ILE 34 8.744 -2.346 2.700 294 HA ILE 34 HA ILE 34 8.387 0.262 1.399 295 HB ILE 34 HB ILE 34 6.171 -1.784 1.309 296 1HG1 ILE 34 HG12 ILE 34 6.741 -1.705 -1.255 297 2HG1 ILE 34 HG11 ILE 34 8.357 -1.303 -0.688 298 1HG2 ILE 34 HG21 ILE 34 5.509 0.535 1.202 299 2HG2 ILE 34 HG22 ILE 34 5.251 -0.240 -0.362 300 3HG2 ILE 34 HG23 ILE 34 6.639 0.822 -0.123 301 1HD1 ILE 34 HD11 ILE 34 8.147 -3.674 -1.119 302 2HD1 ILE 34 HD12 ILE 34 6.800 -3.781 0.014 303 3HD1 ILE 34 HD13 ILE 34 8.415 -3.378 0.598 304 H GLU 35 HN GLU 35 8.152 1.504 3.165 305 HA GLU 35 HA GLU 35 6.503 0.502 5.386 306 1HB GLU 35 HB2 GLU 35 8.814 1.208 5.935 307 2HB GLU 35 HB1 GLU 35 8.450 2.817 5.329 308 1HG GLU 35 HG2 GLU 35 6.888 3.200 7.084 309 2HG GLU 35 HG1 GLU 35 6.984 1.518 7.606 310 H PHE 36 HN PHE 36 4.669 1.585 6.015 311 HA PHE 36 HA PHE 36 3.837 3.658 4.113 312 1HB PHE 36 HB2 PHE 36 1.475 2.617 5.092 313 2HB PHE 36 HB1 PHE 36 2.202 2.259 3.533 314 HD1 PHE 36 HD1 PHE 36 3.853 0.279 3.458 315 HD2 PHE 36 HD2 PHE 36 1.057 0.933 6.592 316 HE1 PHE 36 HE1 PHE 36 3.980 -2.100 4.062 317 HE2 PHE 36 HE2 PHE 36 1.184 -1.440 7.204 318 HZ PHE 36 HZ PHE 36 2.646 -2.959 5.939 319 H PHE 37 HN PHE 37 2.345 5.194 4.715 320 HA PHE 37 HA PHE 37 2.266 5.937 7.580 321 1HB PHE 37 HB2 PHE 37 4.081 7.163 6.406 322 2HB PHE 37 HB1 PHE 37 2.941 7.687 5.179 323 HD1 PHE 37 HD1 PHE 37 1.063 9.257 5.895 324 HD2 PHE 37 HD2 PHE 37 4.459 8.415 8.313 325 HE1 PHE 37 HE1 PHE 37 0.676 11.335 7.151 326 HE2 PHE 37 HE2 PHE 37 4.074 10.488 9.583 327 HZ PHE 37 HZ PHE 37 2.181 11.951 9.003 328 H VAL 38 HN VAL 38 0.152 6.223 8.136 329 HA VAL 38 HA VAL 38 -1.761 6.544 5.969 330 HB VAL 38 HB VAL 38 -2.346 4.793 7.482 331 1HG1 VAL 38 HG11 VAL 38 -1.112 5.531 9.454 332 2HG1 VAL 38 HG12 VAL 38 -2.784 5.141 9.856 333 3HG1 VAL 38 HG13 VAL 38 -2.282 6.827 9.708 334 1HG2 VAL 38 HG21 VAL 38 -4.172 7.098 8.139 335 2HG2 VAL 38 HG22 VAL 38 -4.591 5.387 8.025 336 3HG2 VAL 38 HG23 VAL 38 -4.148 6.290 6.573 337 H ASP 39 HN ASP 39 -3.037 8.229 5.672 338 HA ASP 39 HA ASP 39 -2.702 10.575 7.406 339 1HB ASP 39 HB2 ASP 39 -1.102 10.824 5.577 340 2HB ASP 39 HB1 ASP 39 -2.373 10.527 4.395 341 H GLY 40 HN GLY 40 -4.721 10.742 8.147 342 1HA GLY 40 HA2 GLY 40 -6.967 11.241 8.141 343 2HA GLY 40 HA1 GLY 40 -6.843 11.523 6.410 344 H ASP 41 HN ASP 41 -7.002 9.726 4.987 345 HA ASP 41 HA ASP 41 -8.207 7.305 6.163 346 1HB ASP 41 HB2 ASP 41 -9.764 7.170 4.318 347 2HB ASP 41 HB1 ASP 41 -9.905 8.770 5.037 348 H LYS 42 HN LYS 42 -5.840 8.690 4.218 349 HA LYS 42 HA LYS 42 -5.727 6.509 2.297 350 1HB LYS 42 HB2 LYS 42 -5.490 8.336 1.011 351 2HB LYS 42 HB1 LYS 42 -5.049 9.347 2.377 352 1HG LYS 42 HG2 LYS 42 -2.751 8.350 2.237 353 2HG LYS 42 HG1 LYS 42 -3.249 7.614 0.710 354 1HD LYS 42 HD2 LYS 42 -2.091 9.723 0.318 355 2HD LYS 42 HD1 LYS 42 -3.786 9.851 -0.163 356 1HE LYS 42 HE2 LYS 42 -4.251 10.856 2.090 357 2HE LYS 42 HE1 LYS 42 -2.506 10.901 2.358 358 1HZ LYS 42 HZ1 LYS 42 -4.128 12.453 0.446 359 2HZ LYS 42 HZ2 LYS 42 -2.482 12.185 0.136 360 3HZ LYS 42 HZ3 LYS 42 -2.956 12.994 1.548 361 H ILE 43 HN ILE 43 -3.681 5.560 1.745 362 HA ILE 43 HA ILE 43 -1.833 5.443 4.038 363 HB ILE 43 HB ILE 43 -2.359 3.284 1.984 364 1HG1 ILE 43 HG12 ILE 43 -4.245 3.714 3.623 365 2HG1 ILE 43 HG11 ILE 43 -3.589 2.081 3.639 366 1HG2 ILE 43 HG21 ILE 43 -0.988 1.866 3.413 367 2HG2 ILE 43 HG22 ILE 43 -0.734 3.214 4.522 368 3HG2 ILE 43 HG23 ILE 43 -0.081 3.286 2.884 369 1HD1 ILE 43 HD11 ILE 43 -2.326 2.583 5.649 370 2HD1 ILE 43 HD12 ILE 43 -4.039 2.933 5.889 371 3HD1 ILE 43 HD13 ILE 43 -2.901 4.251 5.612 372 H ILE 44 HN ILE 44 0.370 5.573 3.598 373 HA ILE 44 HA ILE 44 1.066 6.373 0.840 374 HB ILE 44 HB ILE 44 2.212 7.528 3.389 375 1HG1 ILE 44 HG12 ILE 44 0.350 8.900 1.444 376 2HG1 ILE 44 HG11 ILE 44 -0.230 8.072 2.887 377 1HG2 ILE 44 HG21 ILE 44 3.191 9.210 1.876 378 2HG2 ILE 44 HG22 ILE 44 2.558 8.311 0.496 379 3HG2 ILE 44 HG23 ILE 44 3.777 7.581 1.541 380 1HD1 ILE 44 HD11 ILE 44 -0.052 10.454 3.267 381 2HD1 ILE 44 HD12 ILE 44 1.657 10.415 2.829 382 3HD1 ILE 44 HD13 ILE 44 1.096 9.575 4.277 383 H LEU 45 HN LEU 45 2.278 4.768 0.036 384 HA LEU 45 HA LEU 45 4.065 3.277 1.811 385 1HB LEU 45 HB2 LEU 45 2.826 2.763 -0.842 386 2HB LEU 45 HB1 LEU 45 4.371 2.003 -0.508 387 HG LEU 45 HG LEU 45 3.379 0.969 1.527 388 1HD1 LEU 45 HD11 LEU 45 0.767 1.991 0.432 389 2HD1 LEU 45 HD12 LEU 45 1.573 2.601 1.876 390 3HD1 LEU 45 HD13 LEU 45 0.989 0.937 1.832 391 1HD2 LEU 45 HD21 LEU 45 3.532 -0.252 -0.583 392 2HD2 LEU 45 HD22 LEU 45 1.943 0.355 -1.050 393 3HD2 LEU 45 HD23 LEU 45 2.103 -0.721 0.339 394 H LYS 46 HN LYS 46 6.205 3.477 1.806 395 HA LYS 46 HA LYS 46 7.604 4.513 -0.520 396 1HB LYS 46 HB2 LYS 46 8.851 6.043 1.270 397 2HB LYS 46 HB1 LYS 46 7.447 6.602 0.372 398 1HG LYS 46 HG2 LYS 46 6.015 5.936 2.273 399 2HG LYS 46 HG1 LYS 46 7.469 5.504 3.177 400 1HD LYS 46 HD2 LYS 46 6.989 8.241 2.017 401 2HD LYS 46 HD1 LYS 46 6.526 7.788 3.659 402 1HE LYS 46 HE2 LYS 46 8.773 7.376 4.277 403 2HE LYS 46 HE1 LYS 46 9.322 7.477 2.601 404 1HZ LYS 46 HZ1 LYS 46 9.851 9.501 3.796 405 2HZ LYS 46 HZ2 LYS 46 8.230 9.714 4.235 406 3HZ LYS 46 HZ3 LYS 46 8.692 9.840 2.607 407 H LYS 47 HN LYS 47 9.813 4.050 -0.546 408 HA LYS 47 HA LYS 47 10.493 1.614 0.791 409 1HB LYS 47 HB2 LYS 47 11.199 2.602 -1.581 410 2HB LYS 47 HB1 LYS 47 12.553 3.231 -0.656 411 1HG LYS 47 HG2 LYS 47 11.787 0.319 -0.723 412 2HG LYS 47 HG1 LYS 47 12.959 1.052 -1.817 413 1HD LYS 47 HD2 LYS 47 14.369 1.662 0.062 414 2HD LYS 47 HD1 LYS 47 13.172 1.034 1.194 415 1HE LYS 47 HE2 LYS 47 14.920 -0.587 0.962 416 2HE LYS 47 HE1 LYS 47 13.474 -1.212 0.173 417 1HZ LYS 47 HZ1 LYS 47 15.461 -1.601 -1.149 418 2HZ LYS 47 HZ2 LYS 47 15.776 0.062 -1.216 419 3HZ LYS 47 HZ3 LYS 47 14.399 -0.568 -1.962 420 H TYR 48 HN TYR 48 11.923 1.256 2.411 421 HA TYR 48 HA TYR 48 12.054 3.246 4.417 422 1HB TYR 48 HB2 TYR 48 11.819 0.771 4.770 423 2HB TYR 48 HB1 TYR 48 13.502 0.596 4.278 424 HD1 TYR 48 HD1 TYR 48 11.336 2.241 6.822 425 HD2 TYR 48 HD2 TYR 48 15.209 0.768 5.854 426 HE1 TYR 48 HE1 TYR 48 12.038 2.576 9.156 427 HE2 TYR 48 HE2 TYR 48 15.922 1.099 8.181 428 HH TYR 48 HH TYR 48 15.317 2.415 10.123 429 H LYS 49 HN LYS 49 14.566 1.619 2.525 430 HA LYS 49 HA LYS 49 16.844 2.682 3.543 431 1HB LYS 49 HB2 LYS 49 16.661 0.959 1.758 432 2HB LYS 49 HB1 LYS 49 16.353 2.242 0.602 433 1HG LYS 49 HG2 LYS 49 18.559 3.207 1.086 434 2HG LYS 49 HG1 LYS 49 18.872 1.885 2.215 435 1HD LYS 49 HD2 LYS 49 19.930 1.373 0.119 436 2HD LYS 49 HD1 LYS 49 18.559 0.285 0.338 437 1HE LYS 49 HE2 LYS 49 18.442 0.976 -1.903 438 2HE LYS 49 HE1 LYS 49 17.226 1.933 -1.061 439 1HZ LYS 49 HZ1 LYS 49 18.377 3.403 -2.468 440 2HZ LYS 49 HZ2 LYS 49 19.892 2.799 -2.011 441 3HZ LYS 49 HZ3 LYS 49 18.981 3.716 -0.913 442 HA PRO 50 HA PRO 50 17.013 6.521 0.772 443 1HB PRO 50 HB2 PRO 50 14.991 7.177 -0.907 444 2HB PRO 50 HB1 PRO 50 16.306 6.091 -1.370 445 1HG PRO 50 HG2 PRO 50 13.520 5.442 -0.514 446 2HG PRO 50 HG1 PRO 50 14.509 4.686 -1.775 447 1HD PRO 50 HD2 PRO 50 14.136 3.622 0.718 448 2HD PRO 50 HD1 PRO 50 15.562 3.307 -0.289 449 H HIS 51 HN HIS 51 13.579 5.964 1.548 450 HA HIS 51 HA HIS 51 13.559 8.606 2.836 451 1HB HIS 51 HB2 HIS 51 11.285 7.209 1.410 452 2HB HIS 51 HB1 HIS 51 11.129 8.712 2.314 453 HD1 HIS 51 HD1 HIS 51 10.769 8.133 -0.903 454 HD2 HIS 51 HD2 HIS 51 13.816 10.204 1.037 455 HE1 HIS 51 HE1 HIS 51 11.779 9.636 -2.638 456 HE2 HIS 51 HE2 HIS 51 13.742 10.725 -1.499 457 H GLY 52 HN GLY 52 14.330 7.480 4.706 458 1HA GLY 52 HA2 GLY 52 12.792 5.452 6.006 459 2HA GLY 52 HA1 GLY 52 14.118 6.382 6.698 460 H VAL 53 HN VAL 53 13.429 8.809 6.743 461 HA VAL 53 HA VAL 53 11.687 9.183 8.852 462 HB VAL 53 HB VAL 53 13.351 10.851 8.077 463 1HG1 VAL 53 HG11 VAL 53 12.776 12.411 6.289 464 2HG1 VAL 53 HG12 VAL 53 11.332 11.463 5.929 465 3HG1 VAL 53 HG13 VAL 53 12.932 10.759 5.693 466 1HG2 VAL 53 HG21 VAL 53 10.542 11.911 8.364 467 2HG2 VAL 53 HG22 VAL 53 12.019 12.851 8.577 468 3HG2 VAL 53 HG23 VAL 53 11.654 11.520 9.676 469 H CYS 54 HN CYS 54 9.588 9.921 9.051 470 HA CYS 54 HA CYS 54 7.639 8.720 7.526 471 1HB CYS 54 HB2 CYS 54 6.267 10.769 8.628 472 2HB CYS 54 HB1 CYS 54 6.763 9.328 9.516 473 HG CYS 54 HG CYS 54 7.553 12.453 10.075 474 1H MET 1 HT1 MET 1 8.034 9.950 13.628 475 2H MET 1 HT2 MET 1 8.632 10.306 12.092 476 3H MET 1 HT3 MET 1 9.682 9.732 13.292 477 HA MET 1 HA MET 1 9.209 7.982 11.761 478 1HB MET 1 HB2 MET 1 8.345 6.300 13.299 479 2HB MET 1 HB1 MET 1 9.445 7.379 14.139 480 1HG MET 1 HG2 MET 1 6.445 7.586 14.240 481 2HG MET 1 HG1 MET 1 7.434 6.761 15.440 482 1HE MET 1 HE1 MET 1 5.329 9.005 16.144 483 2HE MET 1 HE2 MET 1 6.218 10.004 17.291 484 3HE MET 1 HE3 MET 1 6.332 8.247 17.382 485 H LYS 2 HN LYS 2 7.558 6.441 10.961 486 HA LYS 2 HA LYS 2 5.561 7.836 9.572 487 1HB LYS 2 HB2 LYS 2 5.740 4.867 10.072 488 2HB LYS 2 HB1 LYS 2 4.780 5.650 8.827 489 1HG LYS 2 HG2 LYS 2 7.761 5.934 8.947 490 2HG LYS 2 HG1 LYS 2 6.978 4.581 8.132 491 1HD LYS 2 HD2 LYS 2 5.629 6.523 6.960 492 2HD LYS 2 HD1 LYS 2 7.057 7.465 7.400 493 1HE LYS 2 HE2 LYS 2 7.024 4.916 5.798 494 2HE LYS 2 HE1 LYS 2 7.296 6.539 5.167 495 1HZ LYS 2 HZ1 LYS 2 9.391 5.423 5.441 496 2HZ LYS 2 HZ2 LYS 2 9.052 5.048 7.056 497 3HZ LYS 2 HZ3 LYS 2 9.300 6.661 6.590 498 H SER 3 HN SER 3 3.250 7.167 9.541 499 HA SER 3 HA SER 3 2.000 7.580 12.047 500 1HB SER 3 HB2 SER 3 0.900 6.628 9.391 501 2HB SER 3 HB1 SER 3 -0.095 7.112 10.772 502 HG SER 3 HG SER 3 0.113 8.869 9.412 503 H ILE 4 HN ILE 4 2.485 4.763 9.989 504 HA ILE 4 HA ILE 4 1.180 3.053 11.968 505 HB ILE 4 HB ILE 4 2.281 1.946 9.425 506 1HG1 ILE 4 HG12 ILE 4 -0.184 3.706 9.599 507 2HG1 ILE 4 HG11 ILE 4 1.262 4.005 8.637 508 1HG2 ILE 4 HG21 ILE 4 1.188 0.479 11.024 509 2HG2 ILE 4 HG22 ILE 4 0.223 0.596 9.553 510 3HG2 ILE 4 HG23 ILE 4 -0.257 1.488 10.997 511 1HD1 ILE 4 HD11 ILE 4 -0.644 1.716 8.214 512 2HD1 ILE 4 HD12 ILE 4 0.747 2.132 7.210 513 3HD1 ILE 4 HD13 ILE 4 -0.637 3.222 7.299 514 H GLY 5 HN GLY 5 4.258 3.684 10.433 515 1HA GLY 5 HA2 GLY 5 6.395 3.236 11.113 516 2HA GLY 5 HA1 GLY 5 5.718 2.766 12.667 517 H VAL 6 HN VAL 6 4.747 1.218 9.708 518 HA VAL 6 HA VAL 6 6.384 -1.103 10.436 519 HB VAL 6 HB VAL 6 4.545 -2.562 9.558 520 1HG1 VAL 6 HG11 VAL 6 3.107 -2.358 11.561 521 2HG1 VAL 6 HG12 VAL 6 3.913 -0.834 11.945 522 3HG1 VAL 6 HG13 VAL 6 4.831 -2.341 11.939 523 1HG2 VAL 6 HG21 VAL 6 3.376 -0.856 8.241 524 2HG2 VAL 6 HG22 VAL 6 2.901 -0.043 9.733 525 3HG2 VAL 6 HG23 VAL 6 2.302 -1.664 9.381 526 H VAL 7 HN VAL 7 7.537 -1.985 8.877 527 HA VAL 7 HA VAL 7 7.154 -0.980 6.137 528 HB VAL 7 HB VAL 7 9.324 -0.372 7.213 529 1HG1 VAL 7 HG11 VAL 7 9.654 -2.324 8.606 530 2HG1 VAL 7 HG12 VAL 7 11.033 -2.100 7.531 531 3HG1 VAL 7 HG13 VAL 7 9.831 -3.343 7.178 532 1HG2 VAL 7 HG21 VAL 7 10.761 -1.150 5.323 533 2HG2 VAL 7 HG22 VAL 7 9.227 -0.430 4.833 534 3HG2 VAL 7 HG23 VAL 7 9.420 -2.183 4.807 535 H ARG 8 HN ARG 8 7.194 -2.454 4.439 536 HA ARG 8 HA ARG 8 6.794 -5.239 5.306 537 1HB ARG 8 HB2 ARG 8 5.225 -3.500 3.532 538 2HB ARG 8 HB1 ARG 8 5.525 -5.111 2.893 539 1HG ARG 8 HG2 ARG 8 3.395 -4.830 4.201 540 2HG ARG 8 HG1 ARG 8 4.454 -6.144 4.731 541 1HD ARG 8 HD2 ARG 8 5.338 -4.746 6.514 542 2HD ARG 8 HD1 ARG 8 4.344 -3.398 5.972 543 HE ARG 8 HE ARG 8 2.442 -5.125 6.499 544 1HH1 ARG 8 HH11 ARG 8 5.409 -4.573 8.267 545 2HH1 ARG 8 HH12 ARG 8 4.718 -4.918 9.823 546 1HH2 ARG 8 HH21 ARG 8 1.490 -5.566 8.555 547 2HH2 ARG 8 HH22 ARG 8 2.474 -5.465 9.987 548 H LYS 9 HN LYS 9 7.373 -6.872 3.835 549 HA LYS 9 HA LYS 9 9.543 -6.079 2.013 550 1HB LYS 9 HB2 LYS 9 9.425 -8.167 4.126 551 2HB LYS 9 HB1 LYS 9 10.174 -8.643 2.610 552 1HG LYS 9 HG2 LYS 9 11.788 -7.854 4.291 553 2HG LYS 9 HG1 LYS 9 11.822 -6.922 2.799 554 1HD LYS 9 HD2 LYS 9 12.011 -5.427 4.676 555 2HD LYS 9 HD1 LYS 9 10.446 -5.176 3.901 556 1HE LYS 9 HE2 LYS 9 10.190 -5.168 6.308 557 2HE LYS 9 HE1 LYS 9 9.401 -6.593 5.633 558 1HZ LYS 9 HZ1 LYS 9 12.167 -6.718 6.666 559 2HZ LYS 9 HZ2 LYS 9 11.068 -7.991 6.432 560 3HZ LYS 9 HZ3 LYS 9 10.837 -6.887 7.699 561 H VAL 10 HN VAL 10 9.025 -6.461 0.002 562 HA VAL 10 HA VAL 10 6.655 -7.590 -0.838 563 HB VAL 10 HB VAL 10 9.230 -6.963 -2.266 564 1HG1 VAL 10 HG11 VAL 10 6.788 -8.185 -3.547 565 2HG1 VAL 10 HG12 VAL 10 8.366 -8.956 -3.388 566 3HG1 VAL 10 HG13 VAL 10 8.183 -7.524 -4.399 567 1HG2 VAL 10 HG21 VAL 10 6.413 -5.920 -2.492 568 2HG2 VAL 10 HG22 VAL 10 7.813 -5.327 -3.386 569 3HG2 VAL 10 HG23 VAL 10 7.745 -5.144 -1.633 570 H ASP 11 HN ASP 11 5.982 -9.532 -1.411 571 HA ASP 11 HA ASP 11 7.151 -11.881 -0.494 572 1HB ASP 11 HB2 ASP 11 4.834 -11.937 -0.864 573 2HB ASP 11 HB1 ASP 11 4.981 -11.270 -2.483 574 H GLU 12 HN GLU 12 6.498 -11.538 -3.926 575 HA GLU 12 HA GLU 12 9.302 -11.621 -4.655 576 1HB GLU 12 HB2 GLU 12 7.382 -13.750 -5.652 577 2HB GLU 12 HB1 GLU 12 9.058 -13.555 -6.143 578 1HG GLU 12 HG2 GLU 12 9.740 -14.045 -3.813 579 2HG GLU 12 HG1 GLU 12 8.047 -14.353 -3.428 580 H LEU 13 HN LEU 13 5.927 -11.622 -5.536 581 HA LEU 13 HA LEU 13 6.332 -10.439 -8.139 582 1HB LEU 13 HB2 LEU 13 3.753 -10.647 -6.616 583 2HB LEU 13 HB1 LEU 13 3.974 -10.589 -8.352 584 HG LEU 13 HG LEU 13 4.864 -12.903 -6.640 585 1HD1 LEU 13 HD11 LEU 13 2.331 -12.613 -8.247 586 2HD1 LEU 13 HD12 LEU 13 2.435 -12.534 -6.484 587 3HD1 LEU 13 HD13 LEU 13 2.844 -14.032 -7.332 588 1HD2 LEU 13 HD21 LEU 13 6.000 -12.713 -8.789 589 2HD2 LEU 13 HD22 LEU 13 4.444 -12.613 -9.613 590 3HD2 LEU 13 HD23 LEU 13 4.905 -14.096 -8.779 591 H GLY 14 HN GLY 14 5.681 -9.396 -4.918 592 1HA GLY 14 HA2 GLY 14 6.077 -6.909 -4.612 593 2HA GLY 14 HA1 GLY 14 4.823 -6.734 -5.848 594 H ARG 15 HN ARG 15 3.950 -9.399 -4.289 595 HA ARG 15 HA ARG 15 1.788 -8.270 -2.903 596 1HB ARG 15 HB2 ARG 15 3.049 -11.011 -2.562 597 2HB ARG 15 HB1 ARG 15 1.451 -10.549 -1.995 598 1HG ARG 15 HG2 ARG 15 0.890 -10.064 -4.422 599 2HG ARG 15 HG1 ARG 15 2.394 -10.895 -4.829 600 1HD ARG 15 HD2 ARG 15 0.222 -12.127 -3.150 601 2HD ARG 15 HD1 ARG 15 0.309 -12.303 -4.899 602 HE ARG 15 HE ARG 15 2.606 -13.144 -3.273 603 1HH1 ARG 15 HH11 ARG 15 -0.042 -13.910 -5.422 604 2HH1 ARG 15 HH12 ARG 15 0.440 -15.570 -5.647 605 1HH2 ARG 15 HH21 ARG 15 3.265 -15.335 -3.576 606 2HH2 ARG 15 HH22 ARG 15 2.313 -16.367 -4.597 607 H ILE 16 HN ILE 16 1.616 -7.456 -0.879 608 HA ILE 16 HA ILE 16 3.579 -8.243 1.154 609 HB ILE 16 HB ILE 16 4.271 -6.140 1.764 610 1HG1 ILE 16 HG12 ILE 16 1.734 -5.068 0.526 611 2HG1 ILE 16 HG11 ILE 16 2.219 -5.069 2.227 612 1HG2 ILE 16 HG21 ILE 16 5.124 -6.566 -0.474 613 2HG2 ILE 16 HG22 ILE 16 4.901 -4.841 -0.194 614 3HG2 ILE 16 HG23 ILE 16 3.737 -5.733 -1.174 615 1HD1 ILE 16 HD11 ILE 16 2.386 -2.843 1.302 616 2HD1 ILE 16 HD12 ILE 16 3.456 -3.426 0.025 617 3HD1 ILE 16 HD13 ILE 16 3.990 -3.458 1.707 618 H VAL 17 HN VAL 17 2.718 -7.025 3.342 619 HA VAL 17 HA VAL 17 -0.145 -7.683 3.409 620 HB VAL 17 HB VAL 17 0.953 -9.226 4.820 621 1HG1 VAL 17 HG11 VAL 17 3.108 -8.124 5.022 622 2HG1 VAL 17 HG12 VAL 17 2.501 -8.587 6.612 623 3HG1 VAL 17 HG13 VAL 17 2.407 -6.905 6.087 624 1HG2 VAL 17 HG21 VAL 17 -1.079 -8.243 5.775 625 2HG2 VAL 17 HG22 VAL 17 -0.104 -7.022 6.598 626 3HG2 VAL 17 HG23 VAL 17 0.060 -8.727 7.028 627 H MET 18 HN MET 18 -1.436 -6.009 3.513 628 HA MET 18 HA MET 18 -0.562 -3.475 4.613 629 1HB MET 18 HB2 MET 18 -3.150 -4.437 3.408 630 2HB MET 18 HB1 MET 18 -3.047 -2.885 4.222 631 1HG MET 18 HG2 MET 18 -1.302 -3.659 1.902 632 2HG MET 18 HG1 MET 18 -2.842 -2.827 1.730 633 1HE MET 18 HE1 MET 18 0.577 -2.438 3.866 634 2HE MET 18 HE2 MET 18 1.160 -1.060 2.928 635 3HE MET 18 HE3 MET 18 0.819 -2.594 2.126 636 HA PRO 19 HA PRO 19 -2.013 -4.322 8.623 637 1HB PRO 19 HB2 PRO 19 -2.248 -1.825 9.623 638 2HB PRO 19 HB1 PRO 19 -0.689 -2.557 9.232 639 1HG PRO 19 HG2 PRO 19 -2.184 -0.444 7.824 640 2HG PRO 19 HG1 PRO 19 -0.449 -0.796 7.822 641 1HD PRO 19 HD2 PRO 19 -2.363 -1.477 5.827 642 2HD PRO 19 HD1 PRO 19 -0.647 -1.923 5.881 643 H ILE 20 HN ILE 20 -3.739 -4.392 10.036 644 HA ILE 20 HA ILE 20 -6.352 -4.069 9.137 645 HB ILE 20 HB ILE 20 -5.967 -5.421 11.055 646 1HG1 ILE 20 HG12 ILE 20 -7.523 -4.390 12.752 647 2HG1 ILE 20 HG11 ILE 20 -7.495 -2.919 11.778 648 1HG2 ILE 20 HG21 ILE 20 -4.848 -2.955 12.363 649 2HG2 ILE 20 HG22 ILE 20 -3.984 -4.437 11.939 650 3HG2 ILE 20 HG23 ILE 20 -5.201 -4.459 13.219 651 1HD1 ILE 20 HD11 ILE 20 -8.432 -4.111 9.907 652 2HD1 ILE 20 HD12 ILE 20 -9.467 -4.271 11.328 653 3HD1 ILE 20 HD13 ILE 20 -8.434 -5.613 10.831 654 H GLU 21 HN GLU 21 -4.119 -1.845 10.573 655 HA GLU 21 HA GLU 21 -5.775 0.304 11.207 656 1HB GLU 21 HB2 GLU 21 -3.020 0.596 10.015 657 2HB GLU 21 HB1 GLU 21 -3.793 1.606 11.234 658 1HG GLU 21 HG2 GLU 21 -3.019 -1.269 11.658 659 2HG GLU 21 HG1 GLU 21 -2.010 0.107 12.109 660 H LEU 22 HN LEU 22 -4.630 -0.851 8.106 661 HA LEU 22 HA LEU 22 -5.420 1.520 6.668 662 1HB LEU 22 HB2 LEU 22 -3.801 0.515 5.423 663 2HB LEU 22 HB1 LEU 22 -4.195 -1.087 6.010 664 HG LEU 22 HG LEU 22 -6.192 0.099 4.186 665 1HD1 LEU 22 HD11 LEU 22 -4.890 -0.379 2.188 666 2HD1 LEU 22 HD12 LEU 22 -3.486 -0.768 3.182 667 3HD1 LEU 22 HD13 LEU 22 -4.116 0.879 3.151 668 1HD2 LEU 22 HD21 LEU 22 -6.290 -2.211 5.105 669 2HD2 LEU 22 HD22 LEU 22 -4.804 -2.580 4.223 670 3HD2 LEU 22 HD23 LEU 22 -6.270 -2.155 3.338 671 H ARG 23 HN ARG 23 -6.616 -1.717 7.278 672 HA ARG 23 HA ARG 23 -9.011 -1.484 5.791 673 1HB ARG 23 HB2 ARG 23 -8.489 -3.156 8.261 674 2HB ARG 23 HB1 ARG 23 -9.837 -3.364 7.148 675 1HG ARG 23 HG2 ARG 23 -8.163 -3.793 5.337 676 2HG ARG 23 HG1 ARG 23 -6.917 -3.811 6.584 677 1HD ARG 23 HD2 ARG 23 -9.347 -5.558 6.798 678 2HD ARG 23 HD1 ARG 23 -7.981 -6.045 5.800 679 HE ARG 23 HE ARG 23 -6.799 -5.509 8.149 680 1HH1 ARG 23 HH11 ARG 23 -9.661 -7.381 7.379 681 2HH1 ARG 23 HH12 ARG 23 -9.378 -8.554 8.624 682 1HH2 ARG 23 HH21 ARG 23 -6.439 -7.071 9.809 683 2HH2 ARG 23 HH22 ARG 23 -7.579 -8.380 9.996 684 H ARG 24 HN ARG 24 -8.061 -0.318 8.872 685 HA ARG 24 HA ARG 24 -10.723 0.386 9.761 686 1HB ARG 24 HB2 ARG 24 -7.951 0.923 10.854 687 2HB ARG 24 HB1 ARG 24 -9.422 1.513 11.625 688 1HG ARG 24 HG2 ARG 24 -10.168 -0.716 12.053 689 2HG ARG 24 HG1 ARG 24 -8.861 -1.393 11.079 690 1HD ARG 24 HD2 ARG 24 -8.296 -1.628 13.399 691 2HD ARG 24 HD1 ARG 24 -7.236 -0.423 12.675 692 HE ARG 24 HE ARG 24 -9.561 0.720 13.913 693 1HH1 ARG 24 HH11 ARG 24 -6.258 -0.360 14.416 694 2HH1 ARG 24 HH12 ARG 24 -6.069 0.523 15.905 695 1HH2 ARG 24 HH21 ARG 24 -9.310 1.893 15.838 696 2HH2 ARG 24 HH22 ARG 24 -7.811 1.803 16.718 697 H ALA 25 HN ALA 25 -7.929 1.853 8.319 698 HA ALA 25 HA ALA 25 -8.557 4.575 8.588 699 1HB ALA 25 HB1 ALA 25 -7.006 3.097 6.456 700 2HB ALA 25 HB2 ALA 25 -6.349 3.807 7.942 701 3HB ALA 25 HB3 ALA 25 -6.999 4.852 6.677 702 H LEU 26 HN LEU 26 -9.095 2.285 5.970 703 HA LEU 26 HA LEU 26 -10.526 4.283 4.443 704 1HB LEU 26 HB2 LEU 26 -9.680 1.472 3.791 705 2HB LEU 26 HB1 LEU 26 -10.511 2.540 2.672 706 HG LEU 26 HG LEU 26 -7.840 3.206 3.900 707 1HD1 LEU 26 HD11 LEU 26 -8.410 1.948 1.216 708 2HD1 LEU 26 HD12 LEU 26 -7.667 1.135 2.594 709 3HD1 LEU 26 HD13 LEU 26 -6.834 2.477 1.807 710 1HD2 LEU 26 HD21 LEU 26 -9.347 4.280 1.511 711 2HD2 LEU 26 HD22 LEU 26 -7.733 4.780 2.014 712 3HD2 LEU 26 HD23 LEU 26 -9.119 5.103 3.055 713 H ASP 27 HN ASP 27 -11.220 0.837 4.627 714 HA ASP 27 HA ASP 27 -13.716 0.731 5.735 715 1HB ASP 27 HB2 ASP 27 -14.337 2.547 4.154 716 2HB ASP 27 HB1 ASP 27 -13.881 1.517 2.805 717 H ILE 28 HN ILE 28 -11.844 -1.076 5.683 718 HA ILE 28 HA ILE 28 -12.566 -2.978 3.540 719 HB ILE 28 HB ILE 28 -9.904 -2.760 4.979 720 1HG1 ILE 28 HG12 ILE 28 -8.960 -2.384 2.746 721 2HG1 ILE 28 HG11 ILE 28 -10.573 -2.498 2.020 722 1HG2 ILE 28 HG21 ILE 28 -9.241 -4.634 3.436 723 2HG2 ILE 28 HG22 ILE 28 -10.954 -4.852 3.087 724 3HG2 ILE 28 HG23 ILE 28 -10.352 -5.074 4.730 725 1HD1 ILE 28 HD11 ILE 28 -11.210 -0.516 3.317 726 2HD1 ILE 28 HD12 ILE 28 -9.899 -0.216 2.163 727 3HD1 ILE 28 HD13 ILE 28 -9.540 -0.386 3.888 728 H ALA 29 HN ALA 29 -13.133 -5.007 4.084 729 HA ALA 29 HA ALA 29 -13.431 -5.513 6.954 730 1HB ALA 29 HB1 ALA 29 -15.038 -6.600 4.662 731 2HB ALA 29 HB2 ALA 29 -15.503 -5.248 5.691 732 3HB ALA 29 HB3 ALA 29 -15.357 -6.871 6.379 733 H ILE 30 HN ILE 30 -13.044 -7.325 3.931 734 HA ILE 30 HA ILE 30 -11.116 -9.062 5.275 735 HB ILE 30 HB ILE 30 -13.336 -10.138 5.523 736 1HG1 ILE 30 HG12 ILE 30 -11.053 -11.375 5.120 737 2HG1 ILE 30 HG11 ILE 30 -12.559 -12.279 5.191 738 1HG2 ILE 30 HG21 ILE 30 -14.436 -9.351 3.536 739 2HG2 ILE 30 HG22 ILE 30 -14.439 -11.115 3.549 740 3HG2 ILE 30 HG23 ILE 30 -13.305 -10.242 2.516 741 1HD1 ILE 30 HD11 ILE 30 -11.074 -13.019 3.385 742 2HD1 ILE 30 HD12 ILE 30 -11.179 -11.416 2.657 743 3HD1 ILE 30 HD13 ILE 30 -12.621 -12.424 2.783 744 H LYS 31 HN LYS 31 -12.633 -7.954 2.334 745 HA LYS 31 HA LYS 31 -10.079 -8.282 0.953 746 1HB LYS 31 HB2 LYS 31 -12.781 -8.715 -0.350 747 2HB LYS 31 HB1 LYS 31 -11.212 -8.855 -1.126 748 1HG LYS 31 HG2 LYS 31 -10.735 -10.721 0.540 749 2HG LYS 31 HG1 LYS 31 -12.463 -10.679 0.896 750 1HD LYS 31 HD2 LYS 31 -12.087 -12.372 -0.758 751 2HD LYS 31 HD1 LYS 31 -12.900 -11.014 -1.539 752 1HE LYS 31 HE2 LYS 31 -10.767 -10.220 -2.404 753 2HE LYS 31 HE1 LYS 31 -9.931 -11.546 -1.603 754 1HZ LYS 31 HZ1 LYS 31 -11.936 -11.802 -3.784 755 2HZ LYS 31 HZ2 LYS 31 -11.191 -13.099 -2.988 756 3HZ LYS 31 HZ3 LYS 31 -10.262 -12.037 -3.923 757 H ASP 32 HN ASP 32 -13.270 -6.809 0.890 758 HA ASP 32 HA ASP 32 -14.052 -4.960 -0.167 759 1HB ASP 32 HB2 ASP 32 -12.280 -4.297 2.051 760 2HB ASP 32 HB1 ASP 32 -12.626 -2.931 0.977 761 H SER 33 HN SER 33 -11.449 -2.809 -0.056 762 HA SER 33 HA SER 33 -10.491 -3.304 -2.741 763 1HB SER 33 HB2 SER 33 -12.257 -0.879 -2.286 764 2HB SER 33 HB1 SER 33 -11.484 -1.364 -3.799 765 HG SER 33 HG SER 33 -12.893 -3.433 -3.084 766 H ILE 34 HN ILE 34 -8.500 -2.358 -2.957 767 HA ILE 34 HA ILE 34 -8.073 0.244 -1.670 768 HB ILE 34 HB ILE 34 -5.934 -1.895 -1.571 769 1HG1 ILE 34 HG12 ILE 34 -6.384 -1.615 1.003 770 2HG1 ILE 34 HG11 ILE 34 -7.995 -1.134 0.476 771 1HG2 ILE 34 HG21 ILE 34 -5.119 0.378 -1.650 772 2HG2 ILE 34 HG22 ILE 34 -4.836 -0.314 -0.052 773 3HG2 ILE 34 HG23 ILE 34 -6.161 0.825 -0.299 774 1HD1 ILE 34 HD11 ILE 34 -7.946 -3.480 1.042 775 2HD1 ILE 34 HD12 ILE 34 -6.635 -3.753 -0.105 776 3HD1 ILE 34 HD13 ILE 34 -8.230 -3.278 -0.687 777 H GLU 35 HN GLU 35 -7.891 1.449 -3.487 778 HA GLU 35 HA GLU 35 -6.316 0.404 -5.737 779 1HB GLU 35 HB2 GLU 35 -8.643 1.240 -6.145 780 2HB GLU 35 HB1 GLU 35 -8.110 2.833 -5.631 781 1HG GLU 35 HG2 GLU 35 -6.637 3.028 -7.491 782 2HG GLU 35 HG1 GLU 35 -6.891 1.344 -7.940 783 H PHE 36 HN PHE 36 -4.446 1.428 -6.436 784 HA PHE 36 HA PHE 36 -3.527 3.500 -4.548 785 1HB PHE 36 HB2 PHE 36 -1.336 2.285 -5.984 786 2HB PHE 36 HB1 PHE 36 -1.586 2.465 -4.257 787 HD1 PHE 36 HD1 PHE 36 -3.222 0.779 -3.155 788 HD2 PHE 36 HD2 PHE 36 -1.317 0.174 -6.910 789 HE1 PHE 36 HE1 PHE 36 -3.528 -1.647 -2.914 790 HE2 PHE 36 HE2 PHE 36 -1.625 -2.255 -6.677 791 HZ PHE 36 HZ PHE 36 -2.728 -3.165 -4.676 792 H PHE 37 HN PHE 37 -2.017 5.018 -5.198 793 HA PHE 37 HA PHE 37 -2.025 5.833 -8.039 794 1HB PHE 37 HB2 PHE 37 -3.806 7.040 -6.765 795 2HB PHE 37 HB1 PHE 37 -2.597 7.574 -5.609 796 HD1 PHE 37 HD1 PHE 37 -0.803 9.170 -6.389 797 HD2 PHE 37 HD2 PHE 37 -4.238 8.233 -8.720 798 HE1 PHE 37 HE1 PHE 37 -0.474 11.230 -7.689 799 HE2 PHE 37 HE2 PHE 37 -3.907 10.290 -10.035 800 HZ PHE 37 HZ PHE 37 -2.024 11.789 -9.520 801 H VAL 38 HN VAL 38 0.076 6.252 -8.648 802 HA VAL 38 HA VAL 38 2.040 6.374 -6.492 803 HB VAL 38 HB VAL 38 2.470 4.761 -8.295 804 1HG1 VAL 38 HG11 VAL 38 2.760 7.168 -10.088 805 2HG1 VAL 38 HG12 VAL 38 1.474 5.965 -10.168 806 3HG1 VAL 38 HG13 VAL 38 3.138 5.501 -10.523 807 1HG2 VAL 38 HG21 VAL 38 4.381 7.017 -7.835 808 2HG2 VAL 38 HG22 VAL 38 4.820 5.665 -8.882 809 3HG2 VAL 38 HG23 VAL 38 4.413 5.373 -7.190 810 H ASP 39 HN ASP 39 3.332 8.089 -6.108 811 HA ASP 39 HA ASP 39 2.869 10.528 -7.679 812 1HB ASP 39 HB2 ASP 39 1.319 10.587 -5.774 813 2HB ASP 39 HB1 ASP 39 2.660 10.325 -4.664 814 H GLY 40 HN GLY 40 4.872 10.739 -8.486 815 1HA GLY 40 HA2 GLY 40 7.112 11.265 -8.526 816 2HA GLY 40 HA1 GLY 40 7.021 11.530 -6.791 817 H ASP 41 HN ASP 41 7.176 9.686 -5.396 818 HA ASP 41 HA ASP 41 8.422 7.313 -6.622 819 1HB ASP 41 HB2 ASP 41 10.041 7.189 -4.875 820 2HB ASP 41 HB1 ASP 41 10.069 8.851 -5.450 821 H LYS 42 HN LYS 42 6.064 8.636 -4.605 822 HA LYS 42 HA LYS 42 6.017 6.408 -2.737 823 1HB LYS 42 HB2 LYS 42 5.086 7.841 -1.256 824 2HB LYS 42 HB1 LYS 42 5.700 9.079 -2.347 825 1HG LYS 42 HG2 LYS 42 3.486 8.970 -3.536 826 2HG LYS 42 HG1 LYS 42 2.925 7.948 -2.205 827 1HD LYS 42 HD2 LYS 42 2.285 10.283 -1.871 828 2HD LYS 42 HD1 LYS 42 3.421 9.752 -0.627 829 1HE LYS 42 HE2 LYS 42 5.203 10.933 -1.597 830 2HE LYS 42 HE1 LYS 42 4.344 11.157 -3.119 831 1HZ LYS 42 HZ1 LYS 42 4.359 13.203 -1.890 832 2HZ LYS 42 HZ2 LYS 42 3.714 12.448 -0.516 833 3HZ LYS 42 HZ3 LYS 42 2.772 12.608 -1.917 834 H ILE 43 HN ILE 43 3.799 5.675 -2.084 835 HA ILE 43 HA ILE 43 2.081 5.350 -4.454 836 HB ILE 43 HB ILE 43 2.592 3.291 -2.294 837 1HG1 ILE 43 HG12 ILE 43 4.465 3.736 -4.011 838 2HG1 ILE 43 HG11 ILE 43 3.936 2.073 -3.790 839 1HG2 ILE 43 HG21 ILE 43 1.052 3.006 -4.867 840 2HG2 ILE 43 HG22 ILE 43 0.319 3.286 -3.289 841 3HG2 ILE 43 HG23 ILE 43 1.225 1.800 -3.590 842 1HD1 ILE 43 HD11 ILE 43 3.359 1.885 -5.931 843 2HD1 ILE 43 HD12 ILE 43 4.175 3.438 -6.186 844 3HD1 ILE 43 HD13 ILE 43 2.438 3.398 -5.881 845 H ILE 44 HN ILE 44 -0.115 5.511 -4.070 846 HA ILE 44 HA ILE 44 -0.892 6.467 -1.383 847 HB ILE 44 HB ILE 44 -2.022 7.327 -4.053 848 1HG1 ILE 44 HG12 ILE 44 -0.100 8.728 -2.183 849 2HG1 ILE 44 HG11 ILE 44 0.244 8.137 -3.811 850 1HG2 ILE 44 HG21 ILE 44 -3.180 9.047 -2.776 851 2HG2 ILE 44 HG22 ILE 44 -2.510 8.399 -1.280 852 3HG2 ILE 44 HG23 ILE 44 -3.639 7.434 -2.233 853 1HD1 ILE 44 HD11 ILE 44 -0.057 10.558 -3.753 854 2HD1 ILE 44 HD12 ILE 44 -1.689 10.341 -3.123 855 3HD1 ILE 44 HD13 ILE 44 -1.286 9.772 -4.743 856 H LEU 45 HN LEU 45 -2.151 4.966 -0.439 857 HA LEU 45 HA LEU 45 -3.841 3.282 -2.147 858 1HB LEU 45 HB2 LEU 45 -2.667 2.967 0.571 859 2HB LEU 45 HB1 LEU 45 -4.135 2.092 0.183 860 HG LEU 45 HG LEU 45 -2.961 1.089 -1.773 861 1HD1 LEU 45 HD11 LEU 45 -0.539 2.378 -0.518 862 2HD1 LEU 45 HD12 LEU 45 -1.230 2.763 -2.095 863 3HD1 LEU 45 HD13 LEU 45 -0.508 1.179 -1.809 864 1HD2 LEU 45 HD21 LEU 45 -3.205 -0.109 0.325 865 2HD2 LEU 45 HD22 LEU 45 -1.729 0.636 0.939 866 3HD2 LEU 45 HD23 LEU 45 -1.652 -0.479 -0.425 867 H LYS 46 HN LYS 46 -5.988 3.399 -2.153 868 HA LYS 46 HA LYS 46 -7.432 4.488 0.112 869 1HB LYS 46 HB2 LYS 46 -8.661 5.977 -1.752 870 2HB LYS 46 HB1 LYS 46 -7.320 6.571 -0.780 871 1HG LYS 46 HG2 LYS 46 -5.777 5.902 -2.612 872 2HG LYS 46 HG1 LYS 46 -7.189 5.485 -3.585 873 1HD LYS 46 HD2 LYS 46 -6.775 8.206 -2.375 874 2HD LYS 46 HD1 LYS 46 -6.202 7.772 -3.986 875 1HE LYS 46 HE2 LYS 46 -8.407 7.338 -4.747 876 2HE LYS 46 HE1 LYS 46 -9.067 7.475 -3.109 877 1HZ LYS 46 HZ1 LYS 46 -7.879 9.657 -4.750 878 2HZ LYS 46 HZ2 LYS 46 -8.331 9.829 -3.125 879 3HZ LYS 46 HZ3 LYS 46 -9.505 9.493 -4.299 880 H LYS 47 HN LYS 47 -9.597 3.907 0.169 881 HA LYS 47 HA LYS 47 -10.233 1.523 -1.272 882 1HB LYS 47 HB2 LYS 47 -10.917 2.267 1.154 883 2HB LYS 47 HB1 LYS 47 -12.261 3.048 0.335 884 1HG LYS 47 HG2 LYS 47 -11.690 0.146 -0.159 885 2HG LYS 47 HG1 LYS 47 -12.546 0.652 1.301 886 1HD LYS 47 HD2 LYS 47 -14.211 1.790 -0.126 887 2HD LYS 47 HD1 LYS 47 -13.358 1.191 -1.548 888 1HE LYS 47 HE2 LYS 47 -15.217 -0.252 -1.140 889 2HE LYS 47 HE1 LYS 47 -13.746 -1.126 -0.725 890 1HZ LYS 47 HZ1 LYS 47 -15.403 -1.507 0.944 891 2HZ LYS 47 HZ2 LYS 47 -15.637 0.156 1.184 892 3HZ LYS 47 HZ3 LYS 47 -14.172 -0.567 1.622 893 H TYR 48 HN TYR 48 -11.627 1.211 -2.907 894 HA TYR 48 HA TYR 48 -11.780 3.243 -4.825 895 1HB TYR 48 HB2 TYR 48 -11.658 0.737 -5.205 896 2HB TYR 48 HB1 TYR 48 -13.375 0.686 -4.814 897 HD1 TYR 48 HD1 TYR 48 -15.033 1.464 -6.382 898 HD2 TYR 48 HD2 TYR 48 -10.886 1.836 -7.268 899 HE1 TYR 48 HE1 TYR 48 -15.585 1.975 -8.722 900 HE2 TYR 48 HE2 TYR 48 -11.431 2.350 -9.609 901 HH TYR 48 HH TYR 48 -14.511 3.191 -10.642 902 H LYS 49 HN LYS 49 -14.387 1.647 -3.014 903 HA LYS 49 HA LYS 49 -16.545 2.825 -4.186 904 1HB LYS 49 HB2 LYS 49 -16.564 0.979 -2.497 905 2HB LYS 49 HB1 LYS 49 -16.398 2.201 -1.243 906 1HG LYS 49 HG2 LYS 49 -18.512 3.216 -1.928 907 2HG LYS 49 HG1 LYS 49 -18.680 2.010 -3.204 908 1HD LYS 49 HD2 LYS 49 -20.043 1.357 -1.333 909 2HD LYS 49 HD1 LYS 49 -18.685 0.242 -1.461 910 1HE LYS 49 HE2 LYS 49 -18.996 0.779 0.849 911 2HE LYS 49 HE1 LYS 49 -17.517 1.565 0.295 912 1HZ LYS 49 HZ1 LYS 49 -18.784 3.077 1.637 913 2HZ LYS 49 HZ2 LYS 49 -20.168 2.856 0.681 914 3HZ LYS 49 HZ3 LYS 49 -18.808 3.635 0.036 915 HA PRO 50 HA PRO 50 -16.740 6.534 -1.149 916 1HB PRO 50 HB2 PRO 50 -14.183 6.644 0.278 917 2HB PRO 50 HB1 PRO 50 -15.826 6.672 0.924 918 1HG PRO 50 HG2 PRO 50 -14.197 4.550 1.253 919 2HG PRO 50 HG1 PRO 50 -15.952 4.377 1.068 920 1HD PRO 50 HD2 PRO 50 -13.786 3.992 -0.968 921 2HD PRO 50 HD1 PRO 50 -15.224 2.997 -0.651 922 H HIS 51 HN HIS 51 -13.375 5.869 -2.103 923 HA HIS 51 HA HIS 51 -13.311 8.539 -3.327 924 1HB HIS 51 HB2 HIS 51 -11.062 7.130 -1.872 925 2HB HIS 51 HB1 HIS 51 -10.868 8.615 -2.800 926 HD1 HIS 51 HD1 HIS 51 -10.531 8.120 0.427 927 HD2 HIS 51 HD2 HIS 51 -13.569 10.140 -1.575 928 HE1 HIS 51 HE1 HIS 51 -11.574 9.638 2.130 929 HE2 HIS 51 HE2 HIS 51 -13.516 10.717 0.946 930 H GLY 52 HN GLY 52 -14.089 7.344 -5.186 931 1HA GLY 52 HA2 GLY 52 -12.491 5.385 -6.499 932 2HA GLY 52 HA1 GLY 52 -13.810 6.313 -7.205 933 H VAL 53 HN VAL 53 -13.140 8.746 -7.160 934 HA VAL 53 HA VAL 53 -11.426 9.290 -9.220 935 HB VAL 53 HB VAL 53 -13.005 10.923 -8.291 936 1HG1 VAL 53 HG11 VAL 53 -11.037 11.197 -6.025 937 2HG1 VAL 53 HG12 VAL 53 -12.659 10.514 -5.922 938 3HG1 VAL 53 HG13 VAL 53 -12.446 12.224 -6.296 939 1HG2 VAL 53 HG21 VAL 53 -11.536 12.940 -8.404 940 2HG2 VAL 53 HG22 VAL 53 -11.329 11.811 -9.741 941 3HG2 VAL 53 HG23 VAL 53 -10.144 11.855 -8.436 942 H CYS 54 HN CYS 54 -9.317 10.031 -9.412 943 HA CYS 54 HA CYS 54 -7.378 8.655 -7.950 944 1HB CYS 54 HB2 CYS 54 -5.818 10.393 -9.101 945 2HB CYS 54 HB1 CYS 54 -6.705 9.239 -10.089 946 HG CYS 54 HG CYS 54 -6.760 12.524 -10.163 Start of MODEL 4 1 1H MET 1 HT1 MET 1 -9.894 5.199 -12.113 2 2H MET 1 HT2 MET 1 -9.116 4.764 -10.676 3 3H MET 1 HT3 MET 1 -10.002 3.606 -11.542 4 HA MET 1 HA MET 1 -7.739 3.194 -11.925 5 1HB MET 1 HB2 MET 1 -7.565 3.645 -14.400 6 2HB MET 1 HB1 MET 1 -9.017 2.804 -13.882 7 1HG MET 1 HG2 MET 1 -10.208 5.004 -13.947 8 2HG MET 1 HG1 MET 1 -8.757 5.688 -14.679 9 1HE MET 1 HE1 MET 1 -10.282 2.087 -15.245 10 2HE MET 1 HE2 MET 1 -11.343 2.397 -16.621 11 3HE MET 1 HE3 MET 1 -11.684 3.137 -15.057 12 H LYS 2 HN LYS 2 -6.558 4.413 -10.545 13 HA LYS 2 HA LYS 2 -5.796 7.117 -11.048 14 1HB LYS 2 HB2 LYS 2 -4.759 4.999 -9.160 15 2HB LYS 2 HB1 LYS 2 -4.193 6.671 -9.155 16 1HG LYS 2 HG2 LYS 2 -6.613 7.348 -8.836 17 2HG LYS 2 HG1 LYS 2 -6.947 5.641 -8.546 18 1HD LYS 2 HD2 LYS 2 -4.875 7.150 -6.984 19 2HD LYS 2 HD1 LYS 2 -6.576 7.111 -6.511 20 1HE LYS 2 HE2 LYS 2 -6.488 4.669 -6.409 21 2HE LYS 2 HE1 LYS 2 -4.788 4.718 -6.876 22 1HZ LYS 2 HZ1 LYS 2 -5.278 4.502 -4.425 23 2HZ LYS 2 HZ2 LYS 2 -5.788 6.121 -4.470 24 3HZ LYS 2 HZ3 LYS 2 -4.192 5.724 -4.863 25 H SER 3 HN SER 3 -3.121 7.137 -10.429 26 HA SER 3 HA SER 3 -1.724 7.087 -12.733 27 1HB SER 3 HB2 SER 3 -0.654 6.316 -10.010 28 2HB SER 3 HB1 SER 3 0.299 6.950 -11.363 29 HG SER 3 HG SER 3 -0.678 8.903 -11.148 30 H ILE 4 HN ILE 4 -1.697 4.440 -10.361 31 HA ILE 4 HA ILE 4 -0.591 2.604 -12.308 32 HB ILE 4 HB ILE 4 -1.699 1.638 -9.710 33 1HG1 ILE 4 HG12 ILE 4 0.804 3.329 -9.962 34 2HG1 ILE 4 HG11 ILE 4 -0.626 3.704 -9.013 35 1HG2 ILE 4 HG21 ILE 4 0.289 0.216 -9.788 36 2HG2 ILE 4 HG22 ILE 4 0.845 1.067 -11.229 37 3HG2 ILE 4 HG23 ILE 4 -0.633 0.105 -11.288 38 1HD1 ILE 4 HD11 ILE 4 1.276 1.434 -8.507 39 2HD1 ILE 4 HD12 ILE 4 -0.167 1.800 -7.561 40 3HD1 ILE 4 HD13 ILE 4 1.178 2.941 -7.596 41 H GLY 5 HN GLY 5 -3.600 3.363 -10.711 42 1HA GLY 5 HA2 GLY 5 -5.756 3.087 -11.449 43 2HA GLY 5 HA1 GLY 5 -5.107 2.381 -12.922 44 H VAL 6 HN VAL 6 -4.065 0.988 -9.979 45 HA VAL 6 HA VAL 6 -5.805 -1.290 -10.594 46 HB VAL 6 HB VAL 6 -4.021 -2.773 -9.681 47 1HG1 VAL 6 HG11 VAL 6 -2.580 -2.666 -11.661 48 2HG1 VAL 6 HG12 VAL 6 -3.233 -1.070 -12.044 49 3HG1 VAL 6 HG13 VAL 6 -4.285 -2.485 -12.083 50 1HG2 VAL 6 HG21 VAL 6 -1.743 -1.898 -9.503 51 2HG2 VAL 6 HG22 VAL 6 -2.822 -1.139 -8.334 52 3HG2 VAL 6 HG23 VAL 6 -2.348 -0.267 -9.792 53 H VAL 7 HN VAL 7 -7.008 -2.088 -9.126 54 HA VAL 7 HA VAL 7 -6.707 -1.208 -6.342 55 HB VAL 7 HB VAL 7 -8.805 -0.470 -7.388 56 1HG1 VAL 7 HG11 VAL 7 -9.334 -3.401 -7.841 57 2HG1 VAL 7 HG12 VAL 7 -9.044 -2.179 -9.079 58 3HG1 VAL 7 HG13 VAL 7 -10.501 -2.102 -8.086 59 1HG2 VAL 7 HG21 VAL 7 -10.355 -1.256 -5.720 60 2HG2 VAL 7 HG22 VAL 7 -8.760 -1.074 -4.981 61 3HG2 VAL 7 HG23 VAL 7 -9.355 -2.678 -5.409 62 H ARG 8 HN ARG 8 -6.894 -2.761 -4.723 63 HA ARG 8 HA ARG 8 -6.594 -5.552 -5.629 64 1HB ARG 8 HB2 ARG 8 -4.907 -3.897 -3.878 65 2HB ARG 8 HB1 ARG 8 -5.300 -5.477 -3.214 66 1HG ARG 8 HG2 ARG 8 -3.152 -5.319 -4.509 67 2HG ARG 8 HG1 ARG 8 -4.265 -6.600 -5.005 68 1HD ARG 8 HD2 ARG 8 -4.992 -5.346 -6.895 69 2HD ARG 8 HD1 ARG 8 -4.137 -3.905 -6.349 70 HE ARG 8 HE ARG 8 -2.074 -5.422 -6.667 71 1HH1 ARG 8 HH11 ARG 8 -4.968 -5.518 -8.641 72 2HH1 ARG 8 HH12 ARG 8 -4.128 -6.002 -10.078 73 1HH2 ARG 8 HH21 ARG 8 -0.961 -6.051 -8.558 74 2HH2 ARG 8 HH22 ARG 8 -1.836 -6.298 -10.040 75 H LYS 9 HN LYS 9 -7.147 -7.153 -3.982 76 HA LYS 9 HA LYS 9 -9.185 -6.172 -2.096 77 1HB LYS 9 HB2 LYS 9 -8.968 -8.962 -3.259 78 2HB LYS 9 HB1 LYS 9 -10.264 -8.348 -2.247 79 1HG LYS 9 HG2 LYS 9 -9.632 -7.581 -5.087 80 2HG LYS 9 HG1 LYS 9 -11.054 -8.434 -4.488 81 1HD LYS 9 HD2 LYS 9 -11.582 -6.367 -3.147 82 2HD LYS 9 HD1 LYS 9 -10.308 -5.537 -4.046 83 1HE LYS 9 HE2 LYS 9 -12.908 -6.667 -5.052 84 2HE LYS 9 HE1 LYS 9 -12.294 -5.018 -5.179 85 1HZ LYS 9 HZ1 LYS 9 -12.100 -6.042 -7.296 86 2HZ LYS 9 HZ2 LYS 9 -11.344 -7.415 -6.656 87 3HZ LYS 9 HZ3 LYS 9 -10.530 -5.929 -6.669 88 H VAL 10 HN VAL 10 -8.720 -6.436 -0.003 89 HA VAL 10 HA VAL 10 -6.268 -7.440 0.903 90 HB VAL 10 HB VAL 10 -8.865 -6.836 2.314 91 1HG1 VAL 10 HG11 VAL 10 -6.327 -7.798 3.631 92 2HG1 VAL 10 HG12 VAL 10 -7.835 -8.707 3.514 93 3HG1 VAL 10 HG13 VAL 10 -7.775 -7.217 4.453 94 1HG2 VAL 10 HG21 VAL 10 -7.579 -4.936 1.601 95 2HG2 VAL 10 HG22 VAL 10 -6.123 -5.594 2.347 96 3HG2 VAL 10 HG23 VAL 10 -7.476 -5.079 3.355 97 H ASP 11 HN ASP 11 -5.620 -9.393 1.542 98 HA ASP 11 HA ASP 11 -6.879 -11.727 0.691 99 1HB ASP 11 HB2 ASP 11 -4.502 -11.691 1.112 100 2HB ASP 11 HB1 ASP 11 -4.759 -11.278 2.803 101 H GLU 12 HN GLU 12 -6.171 -11.211 4.082 102 HA GLU 12 HA GLU 12 -8.955 -11.196 4.871 103 1HB GLU 12 HB2 GLU 12 -7.081 -13.351 5.905 104 2HB GLU 12 HB1 GLU 12 -8.729 -13.073 6.441 105 1HG GLU 12 HG2 GLU 12 -9.514 -13.663 4.156 106 2HG GLU 12 HG1 GLU 12 -7.843 -14.042 3.739 107 H LEU 13 HN LEU 13 -5.594 -11.535 5.825 108 HA LEU 13 HA LEU 13 -5.791 -10.178 8.321 109 1HB LEU 13 HB2 LEU 13 -3.327 -10.516 6.630 110 2HB LEU 13 HB1 LEU 13 -3.416 -10.362 8.375 111 HG LEU 13 HG LEU 13 -4.578 -12.721 6.915 112 1HD1 LEU 13 HD11 LEU 13 -2.522 -13.913 7.364 113 2HD1 LEU 13 HD12 LEU 13 -1.817 -12.471 8.098 114 3HD1 LEU 13 HD13 LEU 13 -2.188 -12.488 6.369 115 1HD2 LEU 13 HD21 LEU 13 -4.339 -13.794 9.100 116 2HD2 LEU 13 HD22 LEU 13 -5.356 -12.356 9.198 117 3HD2 LEU 13 HD23 LEU 13 -3.688 -12.297 9.766 118 H GLY 14 HN GLY 14 -5.121 -9.247 5.034 119 1HA GLY 14 HA2 GLY 14 -5.520 -6.698 4.782 120 2HA GLY 14 HA1 GLY 14 -4.139 -6.616 5.871 121 H ARG 15 HN ARG 15 -3.442 -9.271 4.316 122 HA ARG 15 HA ARG 15 -1.369 -8.184 2.774 123 1HB ARG 15 HB2 ARG 15 -2.561 -10.916 2.306 124 2HB ARG 15 HB1 ARG 15 -0.893 -10.411 2.092 125 1HG ARG 15 HG2 ARG 15 -0.715 -10.141 4.556 126 2HG ARG 15 HG1 ARG 15 -2.349 -10.799 4.704 127 1HD ARG 15 HD2 ARG 15 0.019 -12.212 3.480 128 2HD ARG 15 HD1 ARG 15 -0.657 -12.523 5.077 129 HE ARG 15 HE ARG 15 -2.779 -13.095 3.744 130 1HH1 ARG 15 HH11 ARG 15 0.496 -13.685 2.648 131 2HH1 ARG 15 HH12 ARG 15 0.037 -14.984 1.581 132 1HH2 ARG 15 HH21 ARG 15 -3.381 -14.815 2.382 133 2HH2 ARG 15 HH22 ARG 15 -2.168 -15.644 1.447 134 H ILE 16 HN ILE 16 -1.287 -7.455 0.706 135 HA ILE 16 HA ILE 16 -3.247 -8.447 -1.225 136 HB ILE 16 HB ILE 16 -4.026 -6.427 -2.014 137 1HG1 ILE 16 HG12 ILE 16 -1.610 -5.135 -0.750 138 2HG1 ILE 16 HG11 ILE 16 -2.022 -5.268 -2.466 139 1HG2 ILE 16 HG21 ILE 16 -3.626 -5.874 0.919 140 2HG2 ILE 16 HG22 ILE 16 -4.958 -6.773 0.190 141 3HG2 ILE 16 HG23 ILE 16 -4.775 -5.049 -0.135 142 1HD1 ILE 16 HD11 ILE 16 -2.358 -3.006 -1.659 143 2HD1 ILE 16 HD12 ILE 16 -3.471 -3.593 -0.422 144 3HD1 ILE 16 HD13 ILE 16 -3.894 -3.738 -2.129 145 H VAL 17 HN VAL 17 -2.493 -7.281 -3.493 146 HA VAL 17 HA VAL 17 0.365 -7.932 -3.612 147 HB VAL 17 HB VAL 17 -0.763 -9.548 -4.899 148 1HG1 VAL 17 HG11 VAL 17 -2.316 -7.315 -6.203 149 2HG1 VAL 17 HG12 VAL 17 -2.941 -8.510 -5.065 150 3HG1 VAL 17 HG13 VAL 17 -2.392 -9.017 -6.662 151 1HG2 VAL 17 HG21 VAL 17 1.199 -8.658 -6.019 152 2HG2 VAL 17 HG22 VAL 17 0.215 -7.424 -6.805 153 3HG2 VAL 17 HG23 VAL 17 -0.024 -9.127 -7.201 154 H MET 18 HN MET 18 1.523 -6.130 -3.614 155 HA MET 18 HA MET 18 0.535 -3.705 -4.842 156 1HB MET 18 HB2 MET 18 3.294 -4.257 -3.728 157 2HB MET 18 HB1 MET 18 2.599 -2.681 -4.084 158 1HG MET 18 HG2 MET 18 1.838 -4.590 -1.897 159 2HG MET 18 HG1 MET 18 2.505 -2.965 -1.747 160 1HE MET 18 HE1 MET 18 1.117 -0.740 -2.215 161 2HE MET 18 HE2 MET 18 -0.515 -0.748 -2.889 162 3HE MET 18 HE3 MET 18 0.842 -1.326 -3.858 163 HA PRO 19 HA PRO 19 2.165 -4.543 -8.751 164 1HB PRO 19 HB2 PRO 19 2.296 -2.127 -9.881 165 2HB PRO 19 HB1 PRO 19 0.759 -2.834 -9.372 166 1HG PRO 19 HG2 PRO 19 2.391 -0.709 -8.081 167 2HG PRO 19 HG1 PRO 19 0.631 -0.896 -8.145 168 1HD PRO 19 HD2 PRO 19 2.295 -1.605 -5.995 169 2HD PRO 19 HD1 PRO 19 0.606 -2.095 -6.218 170 H ILE 20 HN ILE 20 3.879 -4.601 -10.144 171 HA ILE 20 HA ILE 20 6.495 -4.274 -9.383 172 HB ILE 20 HB ILE 20 6.045 -5.476 -11.369 173 1HG1 ILE 20 HG12 ILE 20 7.423 -4.276 -13.115 174 2HG1 ILE 20 HG11 ILE 20 7.442 -2.883 -12.038 175 1HG2 ILE 20 HG21 ILE 20 3.972 -4.476 -12.041 176 2HG2 ILE 20 HG22 ILE 20 5.091 -4.416 -13.401 177 3HG2 ILE 20 HG23 ILE 20 4.783 -2.964 -12.449 178 1HD1 ILE 20 HD11 ILE 20 8.595 -4.176 -10.352 179 2HD1 ILE 20 HD12 ILE 20 9.482 -4.194 -11.878 180 3HD1 ILE 20 HD13 ILE 20 8.538 -5.601 -11.391 181 H GLU 21 HN GLU 21 4.302 -1.926 -10.794 182 HA GLU 21 HA GLU 21 6.078 0.167 -11.305 183 1HB GLU 21 HB2 GLU 21 3.238 0.499 -10.339 184 2HB GLU 21 HB1 GLU 21 4.143 1.557 -11.415 185 1HG GLU 21 HG2 GLU 21 3.323 -1.261 -12.076 186 2HG GLU 21 HG1 GLU 21 2.439 0.183 -12.564 187 H LEU 22 HN LEU 22 4.746 -1.011 -8.320 188 HA LEU 22 HA LEU 22 5.387 1.345 -6.799 189 1HB LEU 22 HB2 LEU 22 3.802 0.312 -5.575 190 2HB LEU 22 HB1 LEU 22 4.114 -1.242 -6.318 191 HG LEU 22 HG LEU 22 6.126 -0.330 -4.345 192 1HD1 LEU 22 HD11 LEU 22 4.721 -1.096 -2.467 193 2HD1 LEU 22 HD12 LEU 22 3.341 -1.182 -3.563 194 3HD1 LEU 22 HD13 LEU 22 4.103 0.372 -3.224 195 1HD2 LEU 22 HD21 LEU 22 6.209 -2.519 -5.528 196 2HD2 LEU 22 HD22 LEU 22 4.692 -2.958 -4.737 197 3HD2 LEU 22 HD23 LEU 22 6.139 -2.671 -3.769 198 H ARG 23 HN ARG 23 6.751 -1.825 -7.447 199 HA ARG 23 HA ARG 23 9.051 -1.533 -5.810 200 1HB ARG 23 HB2 ARG 23 8.858 -3.076 -8.399 201 2HB ARG 23 HB1 ARG 23 10.107 -3.248 -7.176 202 1HG ARG 23 HG2 ARG 23 8.253 -3.902 -5.587 203 2HG ARG 23 HG1 ARG 23 7.230 -4.064 -7.020 204 1HD ARG 23 HD2 ARG 23 9.651 -5.639 -6.204 205 2HD ARG 23 HD1 ARG 23 8.076 -6.225 -6.745 206 HE ARG 23 HE ARG 23 9.662 -4.810 -8.727 207 1HH1 ARG 23 HH11 ARG 23 8.723 -7.925 -7.405 208 2HH1 ARG 23 HH12 ARG 23 9.303 -8.816 -8.775 209 1HH2 ARG 23 HH21 ARG 23 10.465 -5.992 -10.485 210 2HH2 ARG 23 HH22 ARG 23 10.289 -7.719 -10.527 211 H ARG 24 HN ARG 24 8.241 -0.420 -8.985 212 HA ARG 24 HA ARG 24 10.921 0.311 -9.748 213 1HB ARG 24 HB2 ARG 24 8.223 0.919 -10.979 214 2HB ARG 24 HB1 ARG 24 9.775 1.293 -11.730 215 1HG ARG 24 HG2 ARG 24 10.306 -1.046 -11.903 216 2HG ARG 24 HG1 ARG 24 8.856 -1.481 -10.992 217 1HD ARG 24 HD2 ARG 24 8.343 -1.849 -13.272 218 2HD ARG 24 HD1 ARG 24 7.520 -0.362 -12.812 219 HE ARG 24 HE ARG 24 10.115 0.061 -13.983 220 1HH1 ARG 24 HH11 ARG 24 6.678 -0.309 -14.583 221 2HH1 ARG 24 HH12 ARG 24 6.751 0.381 -16.179 222 1HH2 ARG 24 HH21 ARG 24 10.221 0.943 -16.105 223 2HH2 ARG 24 HH22 ARG 24 8.764 1.075 -17.052 224 H ALA 25 HN ALA 25 8.049 1.831 -8.493 225 HA ALA 25 HA ALA 25 8.907 4.525 -8.812 226 1HB ALA 25 HB1 ALA 25 6.855 3.318 -6.961 227 2HB ALA 25 HB2 ALA 25 6.557 3.979 -8.570 228 3HB ALA 25 HB3 ALA 25 7.065 5.045 -7.258 229 H LEU 26 HN LEU 26 8.813 2.291 -6.088 230 HA LEU 26 HA LEU 26 9.981 4.210 -4.311 231 1HB LEU 26 HB2 LEU 26 9.274 1.301 -4.027 232 2HB LEU 26 HB1 LEU 26 9.986 2.237 -2.726 233 HG LEU 26 HG LEU 26 7.362 2.934 -4.046 234 1HD1 LEU 26 HD11 LEU 26 7.864 1.468 -1.459 235 2HD1 LEU 26 HD12 LEU 26 7.218 0.755 -2.936 236 3HD1 LEU 26 HD13 LEU 26 6.294 1.985 -2.073 237 1HD2 LEU 26 HD21 LEU 26 7.065 4.338 -2.065 238 2HD2 LEU 26 HD22 LEU 26 8.511 4.799 -2.966 239 3HD2 LEU 26 HD23 LEU 26 8.658 3.854 -1.483 240 H ASP 27 HN ASP 27 11.091 0.883 -4.524 241 HA ASP 27 HA ASP 27 13.712 1.233 -5.365 242 1HB ASP 27 HB2 ASP 27 13.608 2.905 -3.404 243 2HB ASP 27 HB1 ASP 27 13.512 1.506 -2.353 244 H ILE 28 HN ILE 28 11.819 -0.774 -5.556 245 HA ILE 28 HA ILE 28 12.755 -2.844 -3.664 246 HB ILE 28 HB ILE 28 10.031 -2.641 -4.978 247 1HG1 ILE 28 HG12 ILE 28 9.355 -2.878 -2.481 248 2HG1 ILE 28 HG11 ILE 28 11.019 -2.407 -2.138 249 1HG2 ILE 28 HG21 ILE 28 10.715 -4.938 -5.035 250 2HG2 ILE 28 HG22 ILE 28 9.500 -4.730 -3.775 251 3HG2 ILE 28 HG23 ILE 28 11.203 -4.884 -3.341 252 1HD1 ILE 28 HD11 ILE 28 10.675 -0.314 -3.308 253 2HD1 ILE 28 HD12 ILE 28 9.483 -0.527 -2.025 254 3HD1 ILE 28 HD13 ILE 28 9.027 -0.795 -3.709 255 H ALA 29 HN ALA 29 13.487 -4.744 -4.429 256 HA ALA 29 HA ALA 29 13.613 -4.994 -7.347 257 1HB ALA 29 HB1 ALA 29 15.366 -6.293 -5.274 258 2HB ALA 29 HB2 ALA 29 15.785 -4.880 -6.244 259 3HB ALA 29 HB3 ALA 29 15.546 -6.446 -7.021 260 H ILE 30 HN ILE 30 13.170 -6.995 -4.449 261 HA ILE 30 HA ILE 30 11.243 -8.613 -5.921 262 HB ILE 30 HB ILE 30 13.431 -9.704 -6.299 263 1HG1 ILE 30 HG12 ILE 30 11.140 -10.942 -5.908 264 2HG1 ILE 30 HG11 ILE 30 12.630 -11.846 -6.126 265 1HG2 ILE 30 HG21 ILE 30 14.646 -9.113 -4.352 266 2HG2 ILE 30 HG22 ILE 30 14.522 -10.875 -4.377 267 3HG2 ILE 30 HG23 ILE 30 13.487 -9.928 -3.301 268 1HD1 ILE 30 HD11 ILE 30 11.300 -12.786 -4.343 269 2HD1 ILE 30 HD12 ILE 30 11.288 -11.236 -3.504 270 3HD1 ILE 30 HD13 ILE 30 12.801 -12.121 -3.698 271 H LYS 31 HN LYS 31 12.771 -7.647 -2.955 272 HA LYS 31 HA LYS 31 10.271 -8.128 -1.527 273 1HB LYS 31 HB2 LYS 31 12.991 -8.669 -0.317 274 2HB LYS 31 HB1 LYS 31 11.422 -8.980 0.415 275 1HG LYS 31 HG2 LYS 31 11.058 -10.581 -1.560 276 2HG LYS 31 HG1 LYS 31 12.802 -10.458 -1.790 277 1HD LYS 31 HD2 LYS 31 12.447 -12.366 -0.446 278 2HD LYS 31 HD1 LYS 31 13.035 -11.108 0.642 279 1HE LYS 31 HE2 LYS 31 11.113 -12.425 1.530 280 2HE LYS 31 HE1 LYS 31 10.819 -10.681 1.461 281 1HZ LYS 31 HZ1 LYS 31 8.958 -12.100 0.666 282 2HZ LYS 31 HZ2 LYS 31 9.945 -12.622 -0.610 283 3HZ LYS 31 HZ3 LYS 31 9.511 -10.988 -0.492 284 H ASP 32 HN ASP 32 13.489 -6.719 -1.418 285 HA ASP 32 HA ASP 32 14.334 -4.986 -0.195 286 1HB ASP 32 HB2 ASP 32 12.541 -4.107 -2.338 287 2HB ASP 32 HB1 ASP 32 13.032 -2.833 -1.201 288 H SER 33 HN SER 33 11.605 -2.895 -0.198 289 HA SER 33 HA SER 33 10.606 -3.589 2.404 290 1HB SER 33 HB2 SER 33 12.396 -1.137 2.216 291 2HB SER 33 HB1 SER 33 11.432 -1.604 3.613 292 HG SER 33 HG SER 33 13.024 -3.639 2.794 293 H ILE 34 HN ILE 34 8.668 -2.549 2.817 294 HA ILE 34 HA ILE 34 8.097 -0.026 1.416 295 HB ILE 34 HB ILE 34 5.997 -2.192 1.584 296 1HG1 ILE 34 HG12 ILE 34 6.315 -2.086 -1.028 297 2HG1 ILE 34 HG11 ILE 34 7.947 -1.580 -0.604 298 1HG2 ILE 34 HG21 ILE 34 4.784 -0.741 0.037 299 2HG2 ILE 34 HG22 ILE 34 6.114 0.415 0.082 300 3HG2 ILE 34 HG23 ILE 34 5.176 0.092 1.540 301 1HD1 ILE 34 HD11 ILE 34 7.894 -3.948 -0.981 302 2HD1 ILE 34 HD12 ILE 34 6.596 -4.139 0.204 303 3HD1 ILE 34 HD13 ILE 34 8.202 -3.628 0.727 304 H GLU 35 HN GLU 35 7.838 1.334 3.064 305 HA GLU 35 HA GLU 35 6.426 0.451 5.494 306 1HB GLU 35 HB2 GLU 35 8.691 1.262 5.849 307 2HB GLU 35 HB1 GLU 35 8.332 2.737 4.966 308 1HG GLU 35 HG2 GLU 35 6.697 3.335 6.724 309 2HG GLU 35 HG1 GLU 35 7.220 1.914 7.632 310 H PHE 36 HN PHE 36 4.494 1.420 6.064 311 HA PHE 36 HA PHE 36 3.574 3.465 4.161 312 1HB PHE 36 HB2 PHE 36 1.335 2.210 5.457 313 2HB PHE 36 HB1 PHE 36 1.733 2.312 3.750 314 HD1 PHE 36 HD1 PHE 36 3.381 0.611 2.808 315 HD2 PHE 36 HD2 PHE 36 1.414 0.168 6.553 316 HE1 PHE 36 HE1 PHE 36 3.788 -1.809 2.731 317 HE2 PHE 36 HE2 PHE 36 1.822 -2.254 6.482 318 HZ PHE 36 HZ PHE 36 3.012 -3.243 4.571 319 H PHE 37 HN PHE 37 2.059 4.958 4.781 320 HA PHE 37 HA PHE 37 2.067 5.811 7.621 321 1HB PHE 37 HB2 PHE 37 3.621 7.117 6.094 322 2HB PHE 37 HB1 PHE 37 2.233 7.530 5.108 323 HD1 PHE 37 HD1 PHE 37 0.467 9.036 6.070 324 HD2 PHE 37 HD2 PHE 37 4.190 8.331 8.010 325 HE1 PHE 37 HE1 PHE 37 0.169 11.094 7.382 326 HE2 PHE 37 HE2 PHE 37 3.893 10.383 9.335 327 HZ PHE 37 HZ PHE 37 1.880 11.769 9.017 328 H VAL 38 HN VAL 38 0.074 6.886 8.191 329 HA VAL 38 HA VAL 38 -2.015 6.528 6.155 330 HB VAL 38 HB VAL 38 -2.448 4.835 7.779 331 1HG1 VAL 38 HG11 VAL 38 -1.152 5.743 9.651 332 2HG1 VAL 38 HG12 VAL 38 -2.782 5.294 10.154 333 3HG1 VAL 38 HG13 VAL 38 -2.373 6.991 9.897 334 1HG2 VAL 38 HG21 VAL 38 -4.351 6.189 6.888 335 2HG2 VAL 38 HG22 VAL 38 -4.324 7.117 8.387 336 3HG2 VAL 38 HG23 VAL 38 -4.684 5.390 8.427 337 H ASP 39 HN ASP 39 -3.360 8.163 5.802 338 HA ASP 39 HA ASP 39 -2.985 10.596 7.415 339 1HB ASP 39 HB2 ASP 39 -1.558 10.783 5.429 340 2HB ASP 39 HB1 ASP 39 -2.944 10.462 4.392 341 H GLY 40 HN GLY 40 -4.932 10.590 8.362 342 1HA GLY 40 HA2 GLY 40 -7.195 10.926 8.572 343 2HA GLY 40 HA1 GLY 40 -7.242 11.315 6.857 344 H ASP 41 HN ASP 41 -7.389 9.591 5.343 345 HA ASP 41 HA ASP 41 -8.405 7.068 6.476 346 1HB ASP 41 HB2 ASP 41 -9.422 8.561 4.049 347 2HB ASP 41 HB1 ASP 41 -9.925 6.935 4.500 348 H LYS 42 HN LYS 42 -6.137 8.561 4.424 349 HA LYS 42 HA LYS 42 -6.079 6.325 2.536 350 1HB LYS 42 HB2 LYS 42 -5.448 7.824 0.988 351 2HB LYS 42 HB1 LYS 42 -5.797 9.069 2.178 352 1HG LYS 42 HG2 LYS 42 -3.441 8.891 2.957 353 2HG LYS 42 HG1 LYS 42 -3.139 7.777 1.626 354 1HD LYS 42 HD2 LYS 42 -2.425 10.058 1.080 355 2HD LYS 42 HD1 LYS 42 -3.724 9.508 0.021 356 1HE LYS 42 HE2 LYS 42 -5.331 10.831 1.153 357 2HE LYS 42 HE1 LYS 42 -4.221 11.167 2.482 358 1HZ LYS 42 HZ1 LYS 42 -2.942 12.577 1.140 359 2HZ LYS 42 HZ2 LYS 42 -4.552 12.996 0.799 360 3HZ LYS 42 HZ3 LYS 42 -3.672 12.043 -0.295 361 H ILE 43 HN ILE 43 -3.864 5.614 1.823 362 HA ILE 43 HA ILE 43 -2.038 5.479 4.139 363 HB ILE 43 HB ILE 43 -2.574 3.280 2.120 364 1HG1 ILE 43 HG12 ILE 43 -4.330 3.693 3.916 365 2HG1 ILE 43 HG11 ILE 43 -3.665 2.067 3.837 366 1HG2 ILE 43 HG21 ILE 43 -0.735 3.283 4.518 367 2HG2 ILE 43 HG22 ILE 43 -0.236 3.325 2.827 368 3HG2 ILE 43 HG23 ILE 43 -1.067 1.907 3.465 369 1HD1 ILE 43 HD11 ILE 43 -2.898 4.203 5.821 370 2HD1 ILE 43 HD12 ILE 43 -2.207 2.580 5.736 371 3HD1 ILE 43 HD13 ILE 43 -3.910 2.791 6.135 372 H ILE 44 HN ILE 44 0.165 5.599 3.680 373 HA ILE 44 HA ILE 44 0.837 6.493 0.950 374 HB ILE 44 HB ILE 44 1.937 7.658 3.517 375 1HG1 ILE 44 HG12 ILE 44 -0.046 8.947 1.630 376 2HG1 ILE 44 HG11 ILE 44 -0.529 8.102 3.098 377 1HG2 ILE 44 HG21 ILE 44 2.799 9.420 2.027 378 2HG2 ILE 44 HG22 ILE 44 2.182 8.527 0.636 379 3HG2 ILE 44 HG23 ILE 44 3.459 7.833 1.634 380 1HD1 ILE 44 HD11 ILE 44 -0.448 10.502 3.437 381 2HD1 ILE 44 HD12 ILE 44 1.250 10.523 2.962 382 3HD1 ILE 44 HD13 ILE 44 0.756 9.682 4.432 383 H LEU 45 HN LEU 45 2.238 5.083 0.103 384 HA LEU 45 HA LEU 45 3.891 3.471 1.894 385 1HB LEU 45 HB2 LEU 45 2.892 3.137 -0.893 386 2HB LEU 45 HB1 LEU 45 4.358 2.301 -0.425 387 HG LEU 45 HG LEU 45 3.139 1.167 1.386 388 1HD1 LEU 45 HD11 LEU 45 1.436 2.831 1.849 389 2HD1 LEU 45 HD12 LEU 45 0.696 1.272 1.474 390 3HD1 LEU 45 HD13 LEU 45 0.713 2.557 0.264 391 1HD2 LEU 45 HD21 LEU 45 1.808 -0.307 -0.019 392 2HD2 LEU 45 HD22 LEU 45 3.330 0.113 -0.804 393 3HD2 LEU 45 HD23 LEU 45 1.831 0.890 -1.313 394 H LYS 46 HN LYS 46 6.010 3.474 1.959 395 HA LYS 46 HA LYS 46 7.640 4.804 -0.053 396 1HB LYS 46 HB2 LYS 46 7.202 6.661 1.427 397 2HB LYS 46 HB1 LYS 46 7.499 5.668 2.848 398 1HG LYS 46 HG2 LYS 46 9.880 5.407 1.931 399 2HG LYS 46 HG1 LYS 46 9.476 6.763 0.878 400 1HD LYS 46 HD2 LYS 46 10.595 7.579 2.858 401 2HD LYS 46 HD1 LYS 46 8.911 8.104 2.877 402 1HE LYS 46 HE2 LYS 46 9.439 7.376 5.078 403 2HE LYS 46 HE1 LYS 46 8.412 6.142 4.356 404 1HZ LYS 46 HZ1 LYS 46 10.490 4.892 3.837 405 2HZ LYS 46 HZ2 LYS 46 10.158 5.050 5.496 406 3HZ LYS 46 HZ3 LYS 46 11.346 6.019 4.768 407 H LYS 47 HN LYS 47 9.547 3.691 -0.290 408 HA LYS 47 HA LYS 47 10.092 1.357 1.219 409 1HB LYS 47 HB2 LYS 47 10.905 2.052 -1.160 410 2HB LYS 47 HB1 LYS 47 12.201 2.876 -0.310 411 1HG LYS 47 HG2 LYS 47 11.682 -0.003 0.266 412 2HG LYS 47 HG1 LYS 47 12.523 0.444 -1.216 413 1HD LYS 47 HD2 LYS 47 14.175 1.681 0.140 414 2HD LYS 47 HD1 LYS 47 13.346 1.142 1.601 415 1HE LYS 47 HE2 LYS 47 15.236 -0.279 1.232 416 2HE LYS 47 HE1 LYS 47 13.772 -1.205 0.906 417 1HZ LYS 47 HZ1 LYS 47 15.436 -1.617 -0.779 418 2HZ LYS 47 HZ2 LYS 47 15.542 0.039 -1.137 419 3HZ LYS 47 HZ3 LYS 47 14.117 -0.808 -1.467 420 H TYR 48 HN TYR 48 11.988 1.031 2.653 421 HA TYR 48 HA TYR 48 11.853 2.950 4.751 422 1HB TYR 48 HB2 TYR 48 12.120 0.393 4.900 423 2HB TYR 48 HB1 TYR 48 13.828 0.685 4.566 424 HD1 TYR 48 HD1 TYR 48 15.280 1.609 6.267 425 HD2 TYR 48 HD2 TYR 48 11.112 1.149 6.992 426 HE1 TYR 48 HE1 TYR 48 15.659 1.982 8.669 427 HE2 TYR 48 HE2 TYR 48 11.480 1.525 9.390 428 HH TYR 48 HH TYR 48 13.304 1.311 11.021 429 H LYS 49 HN LYS 49 14.458 1.828 2.671 430 HA LYS 49 HA LYS 49 16.582 3.296 3.545 431 1HB LYS 49 HB2 LYS 49 16.692 1.510 1.881 432 2HB LYS 49 HB1 LYS 49 15.946 2.562 0.691 433 1HG LYS 49 HG2 LYS 49 17.867 4.071 0.817 434 2HG LYS 49 HG1 LYS 49 18.624 2.996 1.995 435 1HD LYS 49 HD2 LYS 49 17.808 2.121 -0.771 436 2HD LYS 49 HD1 LYS 49 19.417 2.732 -0.382 437 1HE LYS 49 HE2 LYS 49 19.731 0.933 1.225 438 2HE LYS 49 HE1 LYS 49 18.100 0.343 0.906 439 1HZ LYS 49 HZ1 LYS 49 20.137 0.562 -1.234 440 2HZ LYS 49 HZ2 LYS 49 18.694 -0.334 -1.241 441 3HZ LYS 49 HZ3 LYS 49 19.990 -0.823 -0.267 442 HA PRO 50 HA PRO 50 15.428 6.803 0.046 443 1HB PRO 50 HB2 PRO 50 12.567 6.614 0.938 444 2HB PRO 50 HB1 PRO 50 13.226 7.224 -0.587 445 1HG PRO 50 HG2 PRO 50 12.231 4.766 -0.442 446 2HG PRO 50 HG1 PRO 50 13.689 5.103 -1.394 447 1HD PRO 50 HD2 PRO 50 13.411 3.672 1.181 448 2HD PRO 50 HD1 PRO 50 14.670 3.533 -0.060 449 H HIS 51 HN HIS 51 15.792 8.802 0.748 450 HA HIS 51 HA HIS 51 15.886 9.211 3.574 451 1HB HIS 51 HB2 HIS 51 16.630 10.987 1.250 452 2HB HIS 51 HB1 HIS 51 16.822 11.467 2.936 453 HD1 HIS 51 HD1 HIS 51 18.596 9.879 0.244 454 HD2 HIS 51 HD2 HIS 51 18.561 9.523 4.388 455 HE1 HIS 51 HE1 HIS 51 20.736 8.698 0.843 456 HE2 HIS 51 HE2 HIS 51 20.604 8.333 3.336 457 H GLY 52 HN GLY 52 15.006 11.043 4.685 458 1HA GLY 52 HA2 GLY 52 13.175 12.647 4.840 459 2HA GLY 52 HA1 GLY 52 12.284 11.633 3.701 460 H VAL 53 HN VAL 53 13.759 11.705 6.871 461 HA VAL 53 HA VAL 53 13.120 9.181 7.751 462 HB VAL 53 HB VAL 53 14.662 10.649 8.942 463 1HG1 VAL 53 HG11 VAL 53 13.464 12.748 8.799 464 2HG1 VAL 53 HG12 VAL 53 13.821 12.368 10.483 465 3HG1 VAL 53 HG13 VAL 53 12.194 12.122 9.850 466 1HG2 VAL 53 HG21 VAL 53 13.891 10.104 11.269 467 2HG2 VAL 53 HG22 VAL 53 13.899 8.746 10.145 468 3HG2 VAL 53 HG23 VAL 53 12.378 9.534 10.559 469 H CYS 54 HN CYS 54 11.521 8.195 8.709 470 HA CYS 54 HA CYS 54 9.116 9.430 9.663 471 1HB CYS 54 HB2 CYS 54 9.030 7.707 7.185 472 2HB CYS 54 HB1 CYS 54 7.622 8.198 8.124 473 HG CYS 54 HG CYS 54 9.430 10.808 7.155 474 1H MET 1 HT1 MET 1 9.980 5.528 11.222 475 2H MET 1 HT2 MET 1 9.387 4.387 10.117 476 3H MET 1 HT3 MET 1 10.462 3.907 11.341 477 HA MET 1 HA MET 1 8.069 3.342 11.691 478 1HB MET 1 HB2 MET 1 8.123 4.018 14.101 479 2HB MET 1 HB1 MET 1 9.577 3.208 13.540 480 1HG MET 1 HG2 MET 1 10.704 5.373 13.353 481 2HG MET 1 HG1 MET 1 9.245 6.172 13.937 482 1HE MET 1 HE1 MET 1 10.727 2.720 15.163 483 2HE MET 1 HE2 MET 1 11.784 3.263 16.466 484 3HE MET 1 HE3 MET 1 12.146 3.700 14.797 485 H LYS 2 HN LYS 2 6.795 4.523 10.219 486 HA LYS 2 HA LYS 2 6.108 7.261 10.614 487 1HB LYS 2 HB2 LYS 2 4.768 5.125 8.955 488 2HB LYS 2 HB1 LYS 2 4.499 6.864 8.815 489 1HG LYS 2 HG2 LYS 2 7.100 6.906 8.462 490 2HG LYS 2 HG1 LYS 2 6.818 5.222 7.977 491 1HD LYS 2 HD2 LYS 2 4.800 6.767 6.748 492 2HD LYS 2 HD1 LYS 2 6.327 7.610 6.488 493 1HE LYS 2 HE2 LYS 2 7.302 5.682 5.481 494 2HE LYS 2 HE1 LYS 2 5.929 4.677 5.942 495 1HZ LYS 2 HZ1 LYS 2 5.838 6.945 4.018 496 2HZ LYS 2 HZ2 LYS 2 4.532 5.954 4.446 497 3HZ LYS 2 HZ3 LYS 2 5.843 5.298 3.608 498 H SER 3 HN SER 3 3.402 7.245 10.043 499 HA SER 3 HA SER 3 2.017 7.273 12.371 500 1HB SER 3 HB2 SER 3 0.996 6.490 9.629 501 2HB SER 3 HB1 SER 3 -0.029 6.980 10.988 502 HG SER 3 HG SER 3 1.005 9.003 10.962 503 H ILE 4 HN ILE 4 1.891 4.601 10.040 504 HA ILE 4 HA ILE 4 0.925 2.766 12.051 505 HB ILE 4 HB ILE 4 1.985 1.901 9.372 506 1HG1 ILE 4 HG12 ILE 4 -0.751 3.115 9.860 507 2HG1 ILE 4 HG11 ILE 4 0.540 3.852 8.915 508 1HG2 ILE 4 HG21 ILE 4 1.310 0.181 10.927 509 2HG2 ILE 4 HG22 ILE 4 0.162 0.246 9.590 510 3HG2 ILE 4 HG23 ILE 4 -0.260 0.953 11.149 511 1HD1 ILE 4 HD11 ILE 4 -0.862 1.275 8.256 512 2HD1 ILE 4 HD12 ILE 4 0.416 2.037 7.308 513 3HD1 ILE 4 HD13 ILE 4 -1.143 2.839 7.492 514 H GLY 5 HN GLY 5 3.828 3.585 10.312 515 1HA GLY 5 HA2 GLY 5 6.037 3.346 10.835 516 2HA GLY 5 HA1 GLY 5 5.524 2.834 12.445 517 H VAL 6 HN VAL 6 4.500 1.229 9.538 518 HA VAL 6 HA VAL 6 6.156 -1.060 10.352 519 HB VAL 6 HB VAL 6 4.395 -2.565 9.495 520 1HG1 VAL 6 HG11 VAL 6 2.832 -2.288 11.347 521 2HG1 VAL 6 HG12 VAL 6 3.435 -0.654 11.621 522 3HG1 VAL 6 HG13 VAL 6 4.497 -2.041 11.875 523 1HG2 VAL 6 HG21 VAL 6 3.337 -1.032 7.915 524 2HG2 VAL 6 HG22 VAL 6 2.734 -0.059 9.257 525 3HG2 VAL 6 HG23 VAL 6 2.159 -1.712 9.037 526 H VAL 7 HN VAL 7 7.425 -1.906 8.892 527 HA VAL 7 HA VAL 7 7.084 -1.109 6.084 528 HB VAL 7 HB VAL 7 9.222 -0.436 7.170 529 1HG1 VAL 7 HG11 VAL 7 9.718 -3.401 7.346 530 2HG1 VAL 7 HG12 VAL 7 9.528 -2.283 8.697 531 3HG1 VAL 7 HG13 VAL 7 10.924 -2.146 7.629 532 1HG2 VAL 7 HG21 VAL 7 10.714 -1.316 5.384 533 2HG2 VAL 7 HG22 VAL 7 9.188 -0.654 4.795 534 3HG2 VAL 7 HG23 VAL 7 9.403 -2.401 4.898 535 H ARG 8 HN ARG 8 7.204 -2.680 4.494 536 HA ARG 8 HA ARG 8 6.867 -5.457 5.431 537 1HB ARG 8 HB2 ARG 8 5.259 -3.806 3.583 538 2HB ARG 8 HB1 ARG 8 5.590 -5.439 3.027 539 1HG ARG 8 HG2 ARG 8 3.436 -5.151 4.253 540 2HG ARG 8 HG1 ARG 8 4.510 -6.388 4.921 541 1HD ARG 8 HD2 ARG 8 5.256 -4.870 6.644 542 2HD ARG 8 HD1 ARG 8 4.305 -3.562 5.947 543 HE ARG 8 HE ARG 8 2.362 -5.222 6.465 544 1HH1 ARG 8 HH11 ARG 8 5.217 -4.647 8.402 545 2HH1 ARG 8 HH12 ARG 8 4.418 -4.934 9.921 546 1HH2 ARG 8 HH21 ARG 8 1.291 -5.604 8.457 547 2HH2 ARG 8 HH22 ARG 8 2.164 -5.457 9.953 548 H LYS 9 HN LYS 9 7.328 -7.065 3.729 549 HA LYS 9 HA LYS 9 9.484 -6.177 1.924 550 1HB LYS 9 HB2 LYS 9 9.162 -8.901 3.216 551 2HB LYS 9 HB1 LYS 9 10.489 -8.398 2.176 552 1HG LYS 9 HG2 LYS 9 9.858 -7.446 4.963 553 2HG LYS 9 HG1 LYS 9 11.279 -8.335 4.412 554 1HD LYS 9 HD2 LYS 9 11.909 -6.393 3.021 555 2HD LYS 9 HD1 LYS 9 10.534 -5.498 3.672 556 1HE LYS 9 HE2 LYS 9 12.953 -6.512 5.158 557 2HE LYS 9 HE1 LYS 9 12.494 -4.834 4.864 558 1HZ LYS 9 HZ1 LYS 9 11.862 -5.243 7.048 559 2HZ LYS 9 HZ2 LYS 9 11.264 -6.790 6.706 560 3HZ LYS 9 HZ3 LYS 9 10.409 -5.424 6.192 561 H VAL 10 HN VAL 10 8.966 -6.361 -0.162 562 HA VAL 10 HA VAL 10 6.554 -7.421 -1.086 563 HB VAL 10 HB VAL 10 9.120 -6.671 -2.477 564 1HG1 VAL 10 HG11 VAL 10 6.732 -7.898 -3.849 565 2HG1 VAL 10 HG12 VAL 10 8.305 -8.670 -3.654 566 3HG1 VAL 10 HG13 VAL 10 8.155 -7.212 -4.635 567 1HG2 VAL 10 HG21 VAL 10 6.274 -5.719 -2.705 568 2HG2 VAL 10 HG22 VAL 10 7.654 -5.063 -3.586 569 3HG2 VAL 10 HG23 VAL 10 7.576 -4.914 -1.831 570 H ASP 11 HN ASP 11 5.924 -9.375 -1.641 571 HA ASP 11 HA ASP 11 7.195 -11.678 -0.746 572 1HB ASP 11 HB2 ASP 11 4.785 -11.531 -1.179 573 2HB ASP 11 HB1 ASP 11 5.088 -11.377 -2.903 574 H GLU 12 HN GLU 12 6.430 -11.362 -4.153 575 HA GLU 12 HA GLU 12 9.214 -11.376 -4.963 576 1HB GLU 12 HB2 GLU 12 7.303 -13.550 -5.884 577 2HB GLU 12 HB1 GLU 12 8.941 -13.309 -6.467 578 1HG GLU 12 HG2 GLU 12 9.806 -13.829 -4.246 579 2HG GLU 12 HG1 GLU 12 8.154 -14.069 -3.668 580 H LEU 13 HN LEU 13 5.834 -11.518 -5.739 581 HA LEU 13 HA LEU 13 6.163 -10.276 -8.332 582 1HB LEU 13 HB2 LEU 13 3.525 -10.802 -7.025 583 2HB LEU 13 HB1 LEU 13 3.952 -10.884 -8.724 584 HG LEU 13 HG LEU 13 5.436 -12.917 -7.887 585 1HD1 LEU 13 HD11 LEU 13 4.149 -14.174 -6.142 586 2HD1 LEU 13 HD12 LEU 13 3.267 -12.679 -5.810 587 3HD1 LEU 13 HD13 LEU 13 5.013 -12.752 -5.556 588 1HD2 LEU 13 HD21 LEU 13 3.663 -14.419 -8.494 589 2HD2 LEU 13 HD22 LEU 13 3.625 -13.009 -9.556 590 3HD2 LEU 13 HD23 LEU 13 2.457 -13.157 -8.241 591 H GLY 14 HN GLY 14 5.704 -9.326 -5.127 592 1HA GLY 14 HA2 GLY 14 5.887 -6.869 -4.783 593 2HA GLY 14 HA1 GLY 14 4.567 -6.727 -5.949 594 H ARG 15 HN ARG 15 3.811 -9.416 -4.357 595 HA ARG 15 HA ARG 15 1.689 -8.304 -2.888 596 1HB ARG 15 HB2 ARG 15 2.985 -11.021 -2.523 597 2HB ARG 15 HB1 ARG 15 1.383 -10.561 -1.964 598 1HG ARG 15 HG2 ARG 15 0.737 -10.216 -4.354 599 2HG ARG 15 HG1 ARG 15 2.304 -10.892 -4.810 600 1HD ARG 15 HD2 ARG 15 0.199 -12.298 -3.166 601 2HD ARG 15 HD1 ARG 15 0.525 -12.582 -4.876 602 HE ARG 15 HE ARG 15 2.895 -13.126 -3.936 603 1HH1 ARG 15 HH11 ARG 15 -0.188 -13.937 -2.464 604 2HH1 ARG 15 HH12 ARG 15 0.435 -15.353 -1.674 605 1HH2 ARG 15 HH21 ARG 15 3.703 -14.975 -2.913 606 2HH2 ARG 15 HH22 ARG 15 2.637 -15.977 -1.967 607 H ILE 16 HN ILE 16 1.569 -7.517 -0.840 608 HA ILE 16 HA ILE 16 3.533 -8.409 1.137 609 HB ILE 16 HB ILE 16 4.272 -6.344 1.856 610 1HG1 ILE 16 HG12 ILE 16 1.847 -5.158 0.517 611 2HG1 ILE 16 HG11 ILE 16 2.262 -5.190 2.238 612 1HG2 ILE 16 HG21 ILE 16 3.910 -5.925 -1.104 613 2HG2 ILE 16 HG22 ILE 16 5.245 -6.768 -0.315 614 3HG2 ILE 16 HG23 ILE 16 5.027 -5.036 -0.070 615 1HD1 ILE 16 HD11 ILE 16 2.552 -2.967 1.286 616 2HD1 ILE 16 HD12 ILE 16 3.699 -3.608 0.108 617 3HD1 ILE 16 HD13 ILE 16 4.091 -3.636 1.829 618 H VAL 17 HN VAL 17 2.752 -7.176 3.349 619 HA VAL 17 HA VAL 17 -0.111 -7.805 3.467 620 HB VAL 17 HB VAL 17 0.971 -9.375 4.850 621 1HG1 VAL 17 HG11 VAL 17 2.571 -7.091 5.997 622 2HG1 VAL 17 HG12 VAL 17 3.168 -8.428 5.015 623 3HG1 VAL 17 HG13 VAL 17 2.568 -8.731 6.646 624 1HG2 VAL 17 HG21 VAL 17 -0.990 -8.398 5.893 625 2HG2 VAL 17 HG22 VAL 17 0.000 -7.130 6.621 626 3HG2 VAL 17 HG23 VAL 17 0.210 -8.810 7.119 627 H MET 18 HN MET 18 -1.269 -6.007 3.411 628 HA MET 18 HA MET 18 -0.283 -3.558 4.600 629 1HB MET 18 HB2 MET 18 -3.045 -4.107 3.488 630 2HB MET 18 HB1 MET 18 -2.345 -2.531 3.838 631 1HG MET 18 HG2 MET 18 -1.617 -4.449 1.645 632 2HG MET 18 HG1 MET 18 -2.239 -2.807 1.504 633 1HE MET 18 HE1 MET 18 -0.700 -1.102 3.423 634 2HE MET 18 HE2 MET 18 -0.633 -0.573 1.739 635 3HE MET 18 HE3 MET 18 0.849 -0.691 2.688 636 HA PRO 19 HA PRO 19 -1.927 -4.363 8.491 637 1HB PRO 19 HB2 PRO 19 -2.152 -1.872 9.539 638 2HB PRO 19 HB1 PRO 19 -0.609 -2.676 9.244 639 1HG PRO 19 HG2 PRO 19 -1.864 -0.449 7.806 640 2HG PRO 19 HG1 PRO 19 -0.165 -0.937 7.870 641 1HD PRO 19 HD2 PRO 19 -2.043 -1.416 5.778 642 2HD PRO 19 HD1 PRO 19 -0.360 -1.972 5.880 643 H ILE 20 HN ILE 20 -3.659 -4.360 9.907 644 HA ILE 20 HA ILE 20 -6.251 -4.032 8.901 645 HB ILE 20 HB ILE 20 -5.957 -5.428 10.806 646 1HG1 ILE 20 HG12 ILE 20 -7.573 -4.443 12.452 647 2HG1 ILE 20 HG11 ILE 20 -7.462 -2.918 11.572 648 1HG2 ILE 20 HG21 ILE 20 -4.849 -2.994 12.186 649 2HG2 ILE 20 HG22 ILE 20 -4.001 -4.490 11.792 650 3HG2 ILE 20 HG23 ILE 20 -5.270 -4.491 13.018 651 1HD1 ILE 20 HD11 ILE 20 -8.355 -3.970 9.592 652 2HD1 ILE 20 HD12 ILE 20 -9.452 -4.167 10.961 653 3HD1 ILE 20 HD13 ILE 20 -8.449 -5.519 10.431 654 H GLU 21 HN GLU 21 -4.050 -1.831 10.444 655 HA GLU 21 HA GLU 21 -5.771 0.294 11.028 656 1HB GLU 21 HB2 GLU 21 -2.924 0.524 10.045 657 2HB GLU 21 HB1 GLU 21 -3.784 1.643 11.098 658 1HG GLU 21 HG2 GLU 21 -3.074 -1.197 11.796 659 2HG GLU 21 HG1 GLU 21 -2.169 0.228 12.308 660 H LEU 22 HN LEU 22 -4.463 -0.836 7.996 661 HA LEU 22 HA LEU 22 -5.169 1.522 6.506 662 1HB LEU 22 HB2 LEU 22 -3.456 0.400 5.440 663 2HB LEU 22 HB1 LEU 22 -4.066 -1.177 5.891 664 HG LEU 22 HG LEU 22 -5.637 0.381 3.893 665 1HD1 LEU 22 HD11 LEU 22 -3.349 0.689 3.121 666 2HD1 LEU 22 HD12 LEU 22 -4.206 -0.449 2.080 667 3HD1 LEU 22 HD13 LEU 22 -3.050 -1.041 3.273 668 1HD2 LEU 22 HD21 LEU 22 -6.297 -1.869 4.795 669 2HD2 LEU 22 HD22 LEU 22 -4.859 -2.532 4.009 670 3HD2 LEU 22 HD23 LEU 22 -6.134 -1.796 3.037 671 H ARG 23 HN ARG 23 -6.420 -1.685 7.078 672 HA ARG 23 HA ARG 23 -8.780 -1.480 5.556 673 1HB ARG 23 HB2 ARG 23 -8.276 -3.071 8.083 674 2HB ARG 23 HB1 ARG 23 -9.607 -3.334 6.962 675 1HG ARG 23 HG2 ARG 23 -8.181 -4.088 5.266 676 2HG ARG 23 HG1 ARG 23 -6.747 -3.470 6.087 677 1HD ARG 23 HD2 ARG 23 -7.012 -5.947 6.195 678 2HD ARG 23 HD1 ARG 23 -6.891 -5.162 7.764 679 HE ARG 23 HE ARG 23 -9.604 -5.520 6.953 680 1HH1 ARG 23 HH11 ARG 23 -6.847 -7.184 8.330 681 2HH1 ARG 23 HH12 ARG 23 -7.814 -8.361 9.170 682 1HH2 ARG 23 HH21 ARG 23 -10.878 -7.086 8.058 683 2HH2 ARG 23 HH22 ARG 23 -10.090 -8.283 9.043 684 H ARG 24 HN ARG 24 -7.951 -0.337 8.709 685 HA ARG 24 HA ARG 24 -10.639 0.389 9.466 686 1HB ARG 24 HB2 ARG 24 -7.913 0.973 10.646 687 2HB ARG 24 HB1 ARG 24 -9.420 1.534 11.369 688 1HG ARG 24 HG2 ARG 24 -10.123 -0.716 11.786 689 2HG ARG 24 HG1 ARG 24 -8.765 -1.358 10.859 690 1HD ARG 24 HD2 ARG 24 -8.240 -1.583 13.179 691 2HD ARG 24 HD1 ARG 24 -7.227 -0.306 12.514 692 HE ARG 24 HE ARG 24 -9.680 0.612 13.742 693 1HH1 ARG 24 HH11 ARG 24 -6.271 -0.107 14.225 694 2HH1 ARG 24 HH12 ARG 24 -6.155 0.848 15.672 695 1HH2 ARG 24 HH21 ARG 24 -9.519 1.861 15.627 696 2HH2 ARG 24 HH22 ARG 24 -8.004 1.979 16.463 697 H ALA 25 HN ALA 25 -7.826 1.823 8.055 698 HA ALA 25 HA ALA 25 -8.488 4.561 8.340 699 1HB ALA 25 HB1 ALA 25 -6.720 3.099 6.376 700 2HB ALA 25 HB2 ALA 25 -6.218 3.818 7.921 701 3HB ALA 25 HB3 ALA 25 -6.749 4.856 6.595 702 H LEU 26 HN LEU 26 -8.681 2.313 5.622 703 HA LEU 26 HA LEU 26 -9.819 4.340 3.938 704 1HB LEU 26 HB2 LEU 26 -9.227 1.434 3.447 705 2HB LEU 26 HB1 LEU 26 -9.823 2.542 2.226 706 HG LEU 26 HG LEU 26 -7.214 2.949 3.681 707 1HD1 LEU 26 HD11 LEU 26 -7.701 1.652 1.001 708 2HD1 LEU 26 HD12 LEU 26 -7.141 0.834 2.459 709 3HD1 LEU 26 HD13 LEU 26 -6.126 2.052 1.686 710 1HD2 LEU 26 HD21 LEU 26 -6.740 4.446 1.813 711 2HD2 LEU 26 HD22 LEU 26 -8.203 4.942 2.660 712 3HD2 LEU 26 HD23 LEU 26 -8.321 4.095 1.118 713 H ASP 27 HN ASP 27 -10.885 1.001 4.230 714 HA ASP 27 HA ASP 27 -13.449 1.265 5.180 715 1HB ASP 27 HB2 ASP 27 -13.700 2.923 3.300 716 2HB ASP 27 HB1 ASP 27 -13.398 1.619 2.163 717 H ILE 28 HN ILE 28 -11.646 -0.702 5.399 718 HA ILE 28 HA ILE 28 -12.430 -2.768 3.438 719 HB ILE 28 HB ILE 28 -9.776 -2.538 4.890 720 1HG1 ILE 28 HG12 ILE 28 -8.806 -2.418 2.628 721 2HG1 ILE 28 HG11 ILE 28 -10.437 -2.467 1.925 722 1HG2 ILE 28 HG21 ILE 28 -10.533 -4.856 4.774 723 2HG2 ILE 28 HG22 ILE 28 -9.132 -4.583 3.740 724 3HG2 ILE 28 HG23 ILE 28 -10.743 -4.706 3.029 725 1HD1 ILE 28 HD11 ILE 28 -10.918 -0.367 3.077 726 2HD1 ILE 28 HD12 ILE 28 -9.589 -0.235 1.912 727 3HD1 ILE 28 HD13 ILE 28 -9.244 -0.319 3.647 728 H ALA 29 HN ALA 29 -13.221 -4.609 4.159 729 HA ALA 29 HA ALA 29 -13.560 -4.845 7.047 730 1HB ALA 29 HB1 ALA 29 -15.106 -6.135 4.824 731 2HB ALA 29 HB2 ALA 29 -15.560 -4.653 5.662 732 3HB ALA 29 HB3 ALA 29 -15.508 -6.186 6.544 733 H ILE 30 HN ILE 30 -12.861 -6.833 4.201 734 HA ILE 30 HA ILE 30 -11.008 -8.431 5.764 735 HB ILE 30 HB ILE 30 -13.215 -9.519 6.121 736 1HG1 ILE 30 HG12 ILE 30 -10.876 -10.739 5.818 737 2HG1 ILE 30 HG11 ILE 30 -12.358 -11.640 6.094 738 1HG2 ILE 30 HG21 ILE 30 -14.356 -9.015 4.099 739 2HG2 ILE 30 HG22 ILE 30 -14.223 -10.772 4.206 740 3HG2 ILE 30 HG23 ILE 30 -13.148 -9.866 3.136 741 1HD1 ILE 30 HD11 ILE 30 -11.035 -12.678 4.365 742 2HD1 ILE 30 HD12 ILE 30 -11.024 -11.179 3.436 743 3HD1 ILE 30 HD13 ILE 30 -12.538 -12.050 3.686 744 H LYS 31 HN LYS 31 -12.505 -7.583 2.742 745 HA LYS 31 HA LYS 31 -9.953 -8.044 1.388 746 1HB LYS 31 HB2 LYS 31 -12.606 -8.644 0.067 747 2HB LYS 31 HB1 LYS 31 -10.997 -8.977 -0.555 748 1HG LYS 31 HG2 LYS 31 -10.726 -10.542 1.431 749 2HG LYS 31 HG1 LYS 31 -12.468 -10.376 1.651 750 1HD LYS 31 HD2 LYS 31 -12.114 -12.337 0.359 751 2HD LYS 31 HD1 LYS 31 -12.732 -11.104 -0.743 752 1HE LYS 31 HE2 LYS 31 -10.857 -12.386 -1.696 753 2HE LYS 31 HE1 LYS 31 -10.501 -10.661 -1.566 754 1HZ LYS 31 HZ1 LYS 31 -8.629 -11.995 -0.854 755 2HZ LYS 31 HZ2 LYS 31 -9.588 -12.795 0.292 756 3HZ LYS 31 HZ3 LYS 31 -9.263 -11.140 0.465 757 H ASP 32 HN ASP 32 -13.186 -6.692 1.188 758 HA ASP 32 HA ASP 32 -14.043 -4.989 -0.044 759 1HB ASP 32 HB2 ASP 32 -12.359 -4.099 2.127 760 2HB ASP 32 HB1 ASP 32 -12.612 -2.828 0.924 761 H SER 33 HN SER 33 -11.272 -2.945 -0.071 762 HA SER 33 HA SER 33 -10.345 -3.586 -2.710 763 1HB SER 33 HB2 SER 33 -12.081 -1.106 -2.449 764 2HB SER 33 HB1 SER 33 -11.234 -1.653 -3.898 765 HG SER 33 HG SER 33 -12.799 -3.633 -3.028 766 H ILE 34 HN ILE 34 -8.390 -2.555 -3.065 767 HA ILE 34 HA ILE 34 -7.947 0.066 -1.830 768 HB ILE 34 HB ILE 34 -5.786 -2.046 -1.707 769 1HG1 ILE 34 HG12 ILE 34 -6.199 -1.603 0.874 770 2HG1 ILE 34 HG11 ILE 34 -7.837 -1.267 0.317 771 1HG2 ILE 34 HG21 ILE 34 -5.983 0.720 -0.536 772 2HG2 ILE 34 HG22 ILE 34 -4.978 0.223 -1.898 773 3HG2 ILE 34 HG23 ILE 34 -4.650 -0.406 -0.283 774 1HD1 ILE 34 HD11 ILE 34 -7.657 -3.560 1.004 775 2HD1 ILE 34 HD12 ILE 34 -6.287 -3.809 -0.085 776 3HD1 ILE 34 HD13 ILE 34 -7.891 -3.482 -0.745 777 H GLU 35 HN GLU 35 -7.735 1.272 -3.660 778 HA GLU 35 HA GLU 35 -6.059 0.206 -5.823 779 1HB GLU 35 HB2 GLU 35 -8.298 1.125 -6.424 780 2HB GLU 35 HB1 GLU 35 -7.778 2.700 -5.831 781 1HG GLU 35 HG2 GLU 35 -6.075 2.839 -7.511 782 2HG GLU 35 HG1 GLU 35 -6.398 1.188 -8.034 783 H PHE 36 HN PHE 36 -4.197 1.270 -6.533 784 HA PHE 36 HA PHE 36 -3.229 3.263 -4.580 785 1HB PHE 36 HB2 PHE 36 -1.049 1.997 -5.967 786 2HB PHE 36 HB1 PHE 36 -1.362 2.114 -4.244 787 HD1 PHE 36 HD1 PHE 36 -3.043 0.448 -3.244 788 HD2 PHE 36 HD2 PHE 36 -1.151 -0.064 -7.020 789 HE1 PHE 36 HE1 PHE 36 -3.478 -1.967 -3.131 790 HE2 PHE 36 HE2 PHE 36 -1.592 -2.482 -6.911 791 HZ PHE 36 HZ PHE 36 -2.754 -3.434 -4.965 792 H PHE 37 HN PHE 37 -1.707 4.770 -5.205 793 HA PHE 37 HA PHE 37 -1.784 5.671 -8.031 794 1HB PHE 37 HB2 PHE 37 -3.377 6.915 -6.521 795 2HB PHE 37 HB1 PHE 37 -2.024 7.331 -5.488 796 HD1 PHE 37 HD1 PHE 37 -0.238 8.871 -6.404 797 HD2 PHE 37 HD2 PHE 37 -3.956 8.206 -8.369 798 HE1 PHE 37 HE1 PHE 37 0.046 10.973 -7.649 799 HE2 PHE 37 HE2 PHE 37 -3.669 10.301 -9.624 800 HZ PHE 37 HZ PHE 37 -1.667 11.689 -9.265 801 H VAL 38 HN VAL 38 0.183 6.773 -8.631 802 HA VAL 38 HA VAL 38 2.300 6.424 -6.620 803 HB VAL 38 HB VAL 38 2.741 4.813 -8.330 804 1HG1 VAL 38 HG11 VAL 38 1.427 5.765 -10.150 805 2HG1 VAL 38 HG12 VAL 38 3.072 5.406 -10.679 806 3HG1 VAL 38 HG13 VAL 38 2.600 7.069 -10.327 807 1HG2 VAL 38 HG21 VAL 38 4.597 6.315 -7.389 808 2HG2 VAL 38 HG22 VAL 38 4.614 7.059 -8.991 809 3HG2 VAL 38 HG23 VAL 38 4.960 5.338 -8.814 810 H ASP 39 HN ASP 39 3.633 8.049 -6.234 811 HA ASP 39 HA ASP 39 3.253 10.541 -7.752 812 1HB ASP 39 HB2 ASP 39 1.895 10.800 -5.780 813 2HB ASP 39 HB1 ASP 39 3.185 10.191 -4.748 814 H GLY 40 HN GLY 40 5.197 10.463 -8.766 815 1HA GLY 40 HA2 GLY 40 7.455 10.850 -8.988 816 2HA GLY 40 HA1 GLY 40 7.508 11.214 -7.267 817 H ASP 41 HN ASP 41 7.687 9.475 -5.775 818 HA ASP 41 HA ASP 41 8.685 6.963 -6.943 819 1HB ASP 41 HB2 ASP 41 9.831 8.297 -4.478 820 2HB ASP 41 HB1 ASP 41 10.404 6.821 -5.244 821 H LYS 42 HN LYS 42 6.473 8.451 -4.891 822 HA LYS 42 HA LYS 42 6.430 6.212 -3.008 823 1HB LYS 42 HB2 LYS 42 5.658 7.618 -1.394 824 2HB LYS 42 HB1 LYS 42 6.444 8.823 -2.404 825 1HG LYS 42 HG2 LYS 42 4.363 9.424 -3.414 826 2HG LYS 42 HG1 LYS 42 3.538 8.089 -2.588 827 1HD LYS 42 HD2 LYS 42 3.072 10.180 -1.455 828 2HD LYS 42 HD1 LYS 42 4.077 9.156 -0.428 829 1HE LYS 42 HE2 LYS 42 5.252 11.078 -0.197 830 2HE LYS 42 HE1 LYS 42 5.997 10.500 -1.686 831 1HZ LYS 42 HZ1 LYS 42 5.369 12.841 -1.806 832 2HZ LYS 42 HZ2 LYS 42 3.741 12.432 -1.559 833 3HZ LYS 42 HZ3 LYS 42 4.541 11.917 -2.965 834 H ILE 43 HN ILE 43 4.129 5.760 -2.172 835 HA ILE 43 HA ILE 43 2.372 5.471 -4.524 836 HB ILE 43 HB ILE 43 2.920 3.315 -2.459 837 1HG1 ILE 43 HG12 ILE 43 4.766 3.722 -4.120 838 2HG1 ILE 43 HG11 ILE 43 4.081 2.103 -4.171 839 1HG2 ILE 43 HG21 ILE 43 1.605 1.919 -4.148 840 2HG2 ILE 43 HG22 ILE 43 1.037 3.466 -4.785 841 3HG2 ILE 43 HG23 ILE 43 0.702 3.022 -3.112 842 1HD1 ILE 43 HD11 ILE 43 2.897 2.585 -6.176 843 2HD1 ILE 43 HD12 ILE 43 4.561 3.138 -6.393 844 3HD1 ILE 43 HD13 ILE 43 3.281 4.306 -6.056 845 H ILE 44 HN ILE 44 0.153 5.458 -4.088 846 HA ILE 44 HA ILE 44 -0.602 6.443 -1.407 847 HB ILE 44 HB ILE 44 -1.678 7.458 -4.043 848 1HG1 ILE 44 HG12 ILE 44 0.301 8.722 -2.130 849 2HG1 ILE 44 HG11 ILE 44 0.648 8.118 -3.750 850 1HG2 ILE 44 HG21 ILE 44 -3.275 7.572 -2.201 851 2HG2 ILE 44 HG22 ILE 44 -2.749 9.183 -2.690 852 3HG2 ILE 44 HG23 ILE 44 -2.097 8.450 -1.223 853 1HD1 ILE 44 HD11 ILE 44 0.473 10.548 -3.697 854 2HD1 ILE 44 HD12 ILE 44 -1.179 10.418 -3.093 855 3HD1 ILE 44 HD13 ILE 44 -0.783 9.832 -4.708 856 H LEU 45 HN LEU 45 -2.050 5.094 -0.515 857 HA LEU 45 HA LEU 45 -3.665 3.421 -2.306 858 1HB LEU 45 HB2 LEU 45 -2.623 3.070 0.464 859 2HB LEU 45 HB1 LEU 45 -4.077 2.212 -0.010 860 HG LEU 45 HG LEU 45 -2.848 1.149 -1.859 861 1HD1 LEU 45 HD11 LEU 45 -0.441 2.545 -0.707 862 2HD1 LEU 45 HD12 LEU 45 -1.177 2.857 -2.278 863 3HD1 LEU 45 HD13 LEU 45 -0.413 1.300 -1.956 864 1HD2 LEU 45 HD21 LEU 45 -1.451 -0.322 -0.490 865 2HD2 LEU 45 HD22 LEU 45 -3.011 0.001 0.268 866 3HD2 LEU 45 HD23 LEU 45 -1.562 0.826 0.844 867 H LYS 46 HN LYS 46 -5.791 3.467 -2.366 868 HA LYS 46 HA LYS 46 -7.350 4.687 -0.234 869 1HB LYS 46 HB2 LYS 46 -6.866 6.562 -1.807 870 2HB LYS 46 HB1 LYS 46 -7.600 5.630 -3.106 871 1HG LYS 46 HG2 LYS 46 -9.726 5.621 -1.798 872 2HG LYS 46 HG1 LYS 46 -8.959 6.718 -0.650 873 1HD LYS 46 HD2 LYS 46 -10.163 8.122 -2.090 874 2HD LYS 46 HD1 LYS 46 -8.499 8.225 -2.661 875 1HE LYS 46 HE2 LYS 46 -9.907 8.023 -4.574 876 2HE LYS 46 HE1 LYS 46 -9.060 6.489 -4.376 877 1HZ LYS 46 HZ1 LYS 46 -11.056 5.586 -3.312 878 2HZ LYS 46 HZ2 LYS 46 -11.386 6.129 -4.880 879 3HZ LYS 46 HZ3 LYS 46 -11.867 7.057 -3.550 880 H LYS 47 HN LYS 47 -9.280 3.648 0.000 881 HA LYS 47 HA LYS 47 -9.868 1.319 -1.498 882 1HB LYS 47 HB2 LYS 47 -10.625 2.021 0.903 883 2HB LYS 47 HB1 LYS 47 -11.926 2.860 0.079 884 1HG LYS 47 HG2 LYS 47 -11.437 -0.060 -0.397 885 2HG LYS 47 HG1 LYS 47 -12.359 0.500 1.001 886 1HD LYS 47 HD2 LYS 47 -13.874 1.692 -0.559 887 2HD LYS 47 HD1 LYS 47 -12.975 0.989 -1.905 888 1HE LYS 47 HE2 LYS 47 -14.971 -0.305 -1.487 889 2HE LYS 47 HE1 LYS 47 -13.543 -1.257 -1.085 890 1HZ LYS 47 HZ1 LYS 47 -15.231 -1.514 0.600 891 2HZ LYS 47 HZ2 LYS 47 -15.298 0.164 0.853 892 3HZ LYS 47 HZ3 LYS 47 -13.901 -0.698 1.254 893 H TYR 48 HN TYR 48 -11.664 1.000 -2.979 894 HA TYR 48 HA TYR 48 -11.579 2.937 -5.038 895 1HB TYR 48 HB2 TYR 48 -11.926 0.348 -5.121 896 2HB TYR 48 HB1 TYR 48 -13.630 0.752 -4.915 897 HD1 TYR 48 HD1 TYR 48 -13.972 -0.396 -7.113 898 HD2 TYR 48 HD2 TYR 48 -11.643 3.144 -6.753 899 HE1 TYR 48 HE1 TYR 48 -14.139 -0.047 -9.541 900 HE2 TYR 48 HE2 TYR 48 -11.809 3.508 -9.179 901 HH TYR 48 HH TYR 48 -12.180 2.142 -11.210 902 H LYS 49 HN LYS 49 -14.225 1.805 -2.989 903 HA LYS 49 HA LYS 49 -16.313 3.327 -3.826 904 1HB LYS 49 HB2 LYS 49 -16.410 1.539 -2.126 905 2HB LYS 49 HB1 LYS 49 -15.702 2.639 -0.953 906 1HG LYS 49 HG2 LYS 49 -17.718 4.157 -1.468 907 2HG LYS 49 HG1 LYS 49 -18.434 2.711 -2.181 908 1HD LYS 49 HD2 LYS 49 -17.423 2.971 0.654 909 2HD LYS 49 HD1 LYS 49 -19.115 2.995 0.156 910 1HE LYS 49 HE2 LYS 49 -19.013 0.729 -0.567 911 2HE LYS 49 HE1 LYS 49 -17.259 0.686 -0.380 912 1HZ LYS 49 HZ1 LYS 49 -19.237 0.990 1.819 913 2HZ LYS 49 HZ2 LYS 49 -17.547 0.978 2.006 914 3HZ LYS 49 HZ3 LYS 49 -18.349 -0.414 1.463 915 HA PRO 50 HA PRO 50 -15.178 6.783 -0.301 916 1HB PRO 50 HB2 PRO 50 -12.278 6.529 -1.034 917 2HB PRO 50 HB1 PRO 50 -13.004 7.147 0.457 918 1HG PRO 50 HG2 PRO 50 -12.064 4.668 0.351 919 2HG PRO 50 HG1 PRO 50 -13.569 5.029 1.215 920 1HD PRO 50 HD2 PRO 50 -13.165 3.624 -1.359 921 2HD PRO 50 HD1 PRO 50 -14.494 3.485 -0.192 922 H HIS 51 HN HIS 51 -15.731 8.621 -1.140 923 HA HIS 51 HA HIS 51 -15.713 9.051 -3.906 924 1HB HIS 51 HB2 HIS 51 -16.324 10.935 -1.627 925 2HB HIS 51 HB1 HIS 51 -16.611 11.318 -3.322 926 HD1 HIS 51 HD1 HIS 51 -18.396 10.169 -0.505 927 HD2 HIS 51 HD2 HIS 51 -18.287 9.036 -4.507 928 HE1 HIS 51 HE1 HIS 51 -20.523 8.892 -0.909 929 HE2 HIS 51 HE2 HIS 51 -20.360 8.080 -3.293 930 H GLY 52 HN GLY 52 -14.868 10.859 -5.075 931 1HA GLY 52 HA2 GLY 52 -13.034 12.421 -5.397 932 2HA GLY 52 HA1 GLY 52 -12.104 11.476 -4.230 933 H VAL 53 HN VAL 53 -13.599 11.412 -7.400 934 HA VAL 53 HA VAL 53 -12.826 8.792 -8.054 935 HB VAL 53 HB VAL 53 -14.672 9.806 -9.218 936 1HG1 VAL 53 HG11 VAL 53 -13.930 12.120 -9.253 937 2HG1 VAL 53 HG12 VAL 53 -14.342 11.581 -10.881 938 3HG1 VAL 53 HG13 VAL 53 -12.651 11.711 -10.395 939 1HG2 VAL 53 HG21 VAL 53 -13.042 8.116 -10.310 940 2HG2 VAL 53 HG22 VAL 53 -12.585 9.481 -11.335 941 3HG2 VAL 53 HG23 VAL 53 -14.257 8.916 -11.314 942 H CYS 54 HN CYS 54 -11.151 7.931 -8.957 943 HA CYS 54 HA CYS 54 -9.134 9.448 -10.348 944 1HB CYS 54 HB2 CYS 54 -8.465 7.915 -7.827 945 2HB CYS 54 HB1 CYS 54 -7.282 8.579 -8.952 946 HG CYS 54 HG CYS 54 -9.362 10.939 -7.955 Start of MODEL 5 1 1H MET 1 HT1 MET 1 -9.127 6.428 -12.988 2 2H MET 1 HT2 MET 1 -8.900 4.749 -13.029 3 3H MET 1 HT3 MET 1 -9.773 5.513 -14.263 4 HA MET 1 HA MET 1 -7.631 4.994 -15.103 5 1HB MET 1 HB2 MET 1 -8.580 7.162 -15.778 6 2HB MET 1 HB1 MET 1 -7.819 7.933 -14.393 7 1HG MET 1 HG2 MET 1 -5.611 7.295 -15.309 8 2HG MET 1 HG1 MET 1 -6.426 6.654 -16.734 9 1HE MET 1 HE1 MET 1 -4.092 8.807 -16.875 10 2HE MET 1 HE2 MET 1 -4.739 9.898 -18.100 11 3HE MET 1 HE3 MET 1 -4.921 8.153 -18.287 12 H LYS 2 HN LYS 2 -6.988 7.507 -12.663 13 HA LYS 2 HA LYS 2 -5.346 7.797 -11.156 14 1HB LYS 2 HB2 LYS 2 -5.617 4.802 -11.061 15 2HB LYS 2 HB1 LYS 2 -4.492 5.664 -10.022 16 1HG LYS 2 HG2 LYS 2 -7.323 6.567 -10.080 17 2HG LYS 2 HG1 LYS 2 -6.933 5.069 -9.236 18 1HD LYS 2 HD2 LYS 2 -6.912 6.961 -7.704 19 2HD LYS 2 HD1 LYS 2 -5.305 6.258 -7.861 20 1HE LYS 2 HE2 LYS 2 -5.036 8.613 -7.872 21 2HE LYS 2 HE1 LYS 2 -4.775 8.056 -9.523 22 1HZ LYS 2 HZ1 LYS 2 -6.929 8.828 -10.154 23 2HZ LYS 2 HZ2 LYS 2 -6.158 10.093 -9.316 24 3HZ LYS 2 HZ3 LYS 2 -7.346 9.166 -8.545 25 H SER 3 HN SER 3 -3.053 6.789 -10.473 26 HA SER 3 HA SER 3 -1.357 7.279 -12.711 27 1HB SER 3 HB2 SER 3 -0.545 6.270 -9.979 28 2HB SER 3 HB1 SER 3 0.421 7.221 -11.118 29 HG SER 3 HG SER 3 -0.371 8.934 -10.215 30 H ILE 4 HN ILE 4 -1.977 4.483 -10.597 31 HA ILE 4 HA ILE 4 -0.543 2.767 -12.486 32 HB ILE 4 HB ILE 4 -1.772 1.750 -9.944 33 1HG1 ILE 4 HG12 ILE 4 0.913 3.143 -10.151 34 2HG1 ILE 4 HG11 ILE 4 -0.500 3.775 -9.311 35 1HG2 ILE 4 HG21 ILE 4 0.123 0.199 -10.048 36 2HG2 ILE 4 HG22 ILE 4 0.710 1.019 -11.495 37 3HG2 ILE 4 HG23 ILE 4 -0.829 0.160 -11.532 38 1HD1 ILE 4 HD11 ILE 4 0.954 1.242 -8.583 39 2HD1 ILE 4 HD12 ILE 4 -0.400 1.967 -7.710 40 3HD1 ILE 4 HD13 ILE 4 1.152 2.802 -7.788 41 H GLY 5 HN GLY 5 -3.705 3.281 -11.021 42 1HA GLY 5 HA2 GLY 5 -5.800 2.840 -11.887 43 2HA GLY 5 HA1 GLY 5 -5.019 2.206 -13.330 44 H VAL 6 HN VAL 6 -4.645 1.186 -9.978 45 HA VAL 6 HA VAL 6 -5.909 -1.366 -10.649 46 HB VAL 6 HB VAL 6 -4.024 -2.554 -9.428 47 1HG1 VAL 6 HG11 VAL 6 -2.540 -2.594 -11.411 48 2HG1 VAL 6 HG12 VAL 6 -3.445 -1.229 -12.074 49 3HG1 VAL 6 HG13 VAL 6 -4.248 -2.780 -11.818 50 1HG2 VAL 6 HG21 VAL 6 -2.615 0.049 -9.979 51 2HG2 VAL 6 HG22 VAL 6 -1.843 -1.440 -9.430 52 3HG2 VAL 6 HG23 VAL 6 -3.005 -0.613 -8.391 53 H VAL 7 HN VAL 7 -7.098 -2.186 -9.114 54 HA VAL 7 HA VAL 7 -6.832 -1.123 -6.384 55 HB VAL 7 HB VAL 7 -8.921 -0.345 -7.445 56 1HG1 VAL 7 HG11 VAL 7 -10.708 -1.936 -7.984 57 2HG1 VAL 7 HG12 VAL 7 -9.607 -3.275 -7.664 58 3HG1 VAL 7 HG13 VAL 7 -9.290 -2.176 -9.006 59 1HG2 VAL 7 HG21 VAL 7 -10.461 -1.058 -5.685 60 2HG2 VAL 7 HG22 VAL 7 -8.856 -0.714 -5.034 61 3HG2 VAL 7 HG23 VAL 7 -9.371 -2.383 -5.267 62 H ARG 8 HN ARG 8 -6.947 -2.600 -4.717 63 HA ARG 8 HA ARG 8 -6.662 -5.404 -5.573 64 1HB ARG 8 HB2 ARG 8 -4.955 -3.706 -3.895 65 2HB ARG 8 HB1 ARG 8 -5.347 -5.254 -3.161 66 1HG ARG 8 HG2 ARG 8 -3.214 -5.131 -4.532 67 2HG ARG 8 HG1 ARG 8 -4.324 -6.461 -4.892 68 1HD ARG 8 HD2 ARG 8 -5.187 -5.306 -6.810 69 2HD ARG 8 HD1 ARG 8 -4.265 -3.859 -6.414 70 HE ARG 8 HE ARG 8 -2.246 -5.348 -6.822 71 1HH1 ARG 8 HH11 ARG 8 -5.328 -5.807 -8.427 72 2HH1 ARG 8 HH12 ARG 8 -4.625 -6.504 -9.853 73 1HH2 ARG 8 HH21 ARG 8 -1.318 -6.216 -8.749 74 2HH2 ARG 8 HH22 ARG 8 -2.371 -6.741 -10.031 75 H LYS 9 HN LYS 9 -7.208 -6.980 -3.935 76 HA LYS 9 HA LYS 9 -9.248 -5.962 -2.078 77 1HB LYS 9 HB2 LYS 9 -9.370 -8.640 -3.483 78 2HB LYS 9 HB1 LYS 9 -10.626 -7.889 -2.510 79 1HG LYS 9 HG2 LYS 9 -9.676 -7.043 -5.245 80 2HG LYS 9 HG1 LYS 9 -11.255 -7.696 -4.806 81 1HD LYS 9 HD2 LYS 9 -11.784 -5.715 -3.549 82 2HD LYS 9 HD1 LYS 9 -10.160 -5.076 -3.776 83 1HE LYS 9 HE2 LYS 9 -11.472 -3.907 -5.310 84 2HE LYS 9 HE1 LYS 9 -10.661 -5.144 -6.269 85 1HZ LYS 9 HZ1 LYS 9 -12.703 -6.507 -6.058 86 2HZ LYS 9 HZ2 LYS 9 -12.933 -5.062 -6.911 87 3HZ LYS 9 HZ3 LYS 9 -13.470 -5.192 -5.311 88 H VAL 10 HN VAL 10 -8.767 -6.358 -0.052 89 HA VAL 10 HA VAL 10 -6.387 -7.502 0.768 90 HB VAL 10 HB VAL 10 -8.943 -6.905 2.241 91 1HG1 VAL 10 HG11 VAL 10 -7.962 -8.835 3.371 92 2HG1 VAL 10 HG12 VAL 10 -7.829 -7.377 4.352 93 3HG1 VAL 10 HG13 VAL 10 -6.419 -7.988 3.483 94 1HG2 VAL 10 HG21 VAL 10 -7.557 -5.033 1.537 95 2HG2 VAL 10 HG22 VAL 10 -6.172 -5.736 2.373 96 3HG2 VAL 10 HG23 VAL 10 -7.572 -5.187 3.295 97 H ASP 11 HN ASP 11 -5.748 -9.469 1.390 98 HA ASP 11 HA ASP 11 -7.065 -11.774 0.502 99 1HB ASP 11 HB2 ASP 11 -4.687 -11.837 0.793 100 2HB ASP 11 HB1 ASP 11 -4.817 -11.375 2.485 101 H GLU 12 HN GLU 12 -6.285 -11.117 3.886 102 HA GLU 12 HA GLU 12 -9.043 -11.378 4.733 103 1HB GLU 12 HB2 GLU 12 -6.929 -13.275 5.800 104 2HB GLU 12 HB1 GLU 12 -8.590 -13.158 6.357 105 1HG GLU 12 HG2 GLU 12 -9.328 -13.867 4.096 106 2HG GLU 12 HG1 GLU 12 -7.632 -14.109 3.681 107 H LEU 13 HN LEU 13 -5.679 -11.403 5.780 108 HA LEU 13 HA LEU 13 -6.228 -9.954 8.206 109 1HB LEU 13 HB2 LEU 13 -3.498 -10.435 7.061 110 2HB LEU 13 HB1 LEU 13 -3.960 -10.282 8.744 111 HG LEU 13 HG LEU 13 -5.284 -12.517 8.226 112 1HD1 LEU 13 HD11 LEU 13 -3.970 -13.931 6.676 113 2HD1 LEU 13 HD12 LEU 13 -3.080 -12.491 6.169 114 3HD1 LEU 13 HD13 LEU 13 -4.814 -12.610 5.870 115 1HD2 LEU 13 HD21 LEU 13 -3.359 -13.772 9.022 116 2HD2 LEU 13 HD22 LEU 13 -3.519 -12.249 9.898 117 3HD2 LEU 13 HD23 LEU 13 -2.300 -12.417 8.634 118 H GLY 14 HN GLY 14 -5.328 -9.199 4.983 119 1HA GLY 14 HA2 GLY 14 -5.611 -6.660 4.651 120 2HA GLY 14 HA1 GLY 14 -4.258 -6.578 5.768 121 H ARG 15 HN ARG 15 -3.574 -9.282 4.232 122 HA ARG 15 HA ARG 15 -1.449 -8.188 2.752 123 1HB ARG 15 HB2 ARG 15 -2.610 -10.918 2.223 124 2HB ARG 15 HB1 ARG 15 -0.932 -10.406 2.118 125 1HG ARG 15 HG2 ARG 15 -0.943 -10.115 4.596 126 2HG ARG 15 HG1 ARG 15 -2.561 -10.825 4.614 127 1HD ARG 15 HD2 ARG 15 -0.084 -12.164 3.539 128 2HD ARG 15 HD1 ARG 15 -0.789 -12.463 5.124 129 HE ARG 15 HE ARG 15 -2.859 -13.029 3.541 130 1HH1 ARG 15 HH11 ARG 15 0.516 -13.935 3.276 131 2HH1 ARG 15 HH12 ARG 15 0.184 -15.460 2.509 132 1HH2 ARG 15 HH21 ARG 15 -3.318 -15.021 2.553 133 2HH2 ARG 15 HH22 ARG 15 -2.016 -16.078 2.091 134 H ILE 16 HN ILE 16 -1.331 -7.417 0.702 135 HA ILE 16 HA ILE 16 -3.290 -8.342 -1.270 136 HB ILE 16 HB ILE 16 -4.053 -6.299 -1.975 137 1HG1 ILE 16 HG12 ILE 16 -1.536 -5.065 -0.846 138 2HG1 ILE 16 HG11 ILE 16 -1.998 -5.249 -2.544 139 1HG2 ILE 16 HG21 ILE 16 -3.461 -5.691 0.915 140 2HG2 ILE 16 HG22 ILE 16 -4.850 -6.588 0.302 141 3HG2 ILE 16 HG23 ILE 16 -4.661 -4.878 -0.090 142 1HD1 ILE 16 HD11 ILE 16 -2.234 -2.948 -1.819 143 2HD1 ILE 16 HD12 ILE 16 -3.333 -3.447 -0.534 144 3HD1 ILE 16 HD13 ILE 16 -3.805 -3.643 -2.221 145 H VAL 17 HN VAL 17 -2.526 -7.258 -3.516 146 HA VAL 17 HA VAL 17 0.329 -7.914 -3.656 147 HB VAL 17 HB VAL 17 -0.831 -9.506 -4.945 148 1HG1 VAL 17 HG11 VAL 17 -2.363 -7.244 -6.220 149 2HG1 VAL 17 HG12 VAL 17 -2.995 -8.444 -5.092 150 3HG1 VAL 17 HG13 VAL 17 -2.460 -8.939 -6.697 151 1HG2 VAL 17 HG21 VAL 17 1.138 -8.629 -6.067 152 2HG2 VAL 17 HG22 VAL 17 0.162 -7.382 -6.843 153 3HG2 VAL 17 HG23 VAL 17 -0.094 -9.079 -7.245 154 H MET 18 HN MET 18 1.563 -6.197 -3.742 155 HA MET 18 HA MET 18 0.676 -3.716 -4.948 156 1HB MET 18 HB2 MET 18 3.372 -4.487 -3.801 157 2HB MET 18 HB1 MET 18 2.895 -2.864 -4.283 158 1HG MET 18 HG2 MET 18 1.208 -4.251 -2.284 159 2HG MET 18 HG1 MET 18 2.802 -3.710 -1.768 160 1HE MET 18 HE1 MET 18 0.064 -2.146 -4.223 161 2HE MET 18 HE2 MET 18 -0.662 -0.976 -3.116 162 3HE MET 18 HE3 MET 18 -0.806 -2.707 -2.794 163 HA PRO 19 HA PRO 19 2.334 -4.638 -8.856 164 1HB PRO 19 HB2 PRO 19 2.588 -2.214 -9.959 165 2HB PRO 19 HB1 PRO 19 1.010 -2.858 -9.484 166 1HG PRO 19 HG2 PRO 19 2.704 -0.806 -8.156 167 2HG PRO 19 HG1 PRO 19 0.939 -0.940 -8.222 168 1HD PRO 19 HD2 PRO 19 2.606 -1.732 -6.093 169 2HD PRO 19 HD1 PRO 19 0.887 -2.115 -6.288 170 H ILE 20 HN ILE 20 4.123 -4.870 -10.127 171 HA ILE 20 HA ILE 20 6.721 -4.464 -9.281 172 HB ILE 20 HB ILE 20 6.354 -5.851 -11.168 173 1HG1 ILE 20 HG12 ILE 20 7.825 -4.835 -12.942 174 2HG1 ILE 20 HG11 ILE 20 7.779 -3.326 -12.035 175 1HG2 ILE 20 HG21 ILE 20 5.514 -4.935 -13.341 176 2HG2 ILE 20 HG22 ILE 20 5.099 -3.450 -12.479 177 3HG2 ILE 20 HG23 ILE 20 4.328 -4.974 -12.038 178 1HD1 ILE 20 HD11 ILE 20 8.866 -4.394 -10.159 179 2HD1 ILE 20 HD12 ILE 20 9.820 -4.604 -11.628 180 3HD1 ILE 20 HD13 ILE 20 8.850 -5.940 -11.005 181 H GLU 21 HN GLU 21 4.502 -2.273 -10.831 182 HA GLU 21 HA GLU 21 6.245 -0.191 -11.513 183 1HB GLU 21 HB2 GLU 21 3.419 0.248 -10.585 184 2HB GLU 21 HB1 GLU 21 4.310 1.095 -11.847 185 1HG GLU 21 HG2 GLU 21 3.492 -1.795 -12.018 186 2HG GLU 21 HG1 GLU 21 2.538 -0.459 -12.664 187 H LEU 22 HN LEU 22 4.897 -1.163 -8.458 188 HA LEU 22 HA LEU 22 5.573 1.291 -7.100 189 1HB LEU 22 HB2 LEU 22 3.898 0.352 -5.891 190 2HB LEU 22 HB1 LEU 22 4.291 -1.272 -6.413 191 HG LEU 22 HG LEU 22 6.165 -0.035 -4.475 192 1HD1 LEU 22 HD11 LEU 22 3.389 -0.940 -3.724 193 2HD1 LEU 22 HD12 LEU 22 4.038 0.692 -3.563 194 3HD1 LEU 22 HD13 LEU 22 4.699 -0.622 -2.589 195 1HD2 LEU 22 HD21 LEU 22 6.442 -2.326 -5.340 196 2HD2 LEU 22 HD22 LEU 22 4.865 -2.752 -4.674 197 3HD2 LEU 22 HD23 LEU 22 6.184 -2.301 -3.594 198 H ARG 23 HN ARG 23 6.848 -1.941 -7.523 199 HA ARG 23 HA ARG 23 9.149 -1.624 -5.897 200 1HB ARG 23 HB2 ARG 23 8.781 -3.388 -8.331 201 2HB ARG 23 HB1 ARG 23 10.078 -3.530 -7.155 202 1HG ARG 23 HG2 ARG 23 8.335 -3.940 -5.411 203 2HG ARG 23 HG1 ARG 23 7.145 -4.012 -6.713 204 1HD ARG 23 HD2 ARG 23 9.593 -5.713 -6.890 205 2HD ARG 23 HD1 ARG 23 8.301 -6.194 -5.790 206 HE ARG 23 HE ARG 23 6.872 -5.921 -7.941 207 1HH1 ARG 23 HH11 ARG 23 10.147 -7.161 -7.805 208 2HH1 ARG 23 HH12 ARG 23 9.914 -8.266 -9.118 209 1HH2 ARG 23 HH21 ARG 23 6.564 -7.390 -9.656 210 2HH2 ARG 23 HH22 ARG 23 7.879 -8.395 -10.184 211 H ARG 24 HN ARG 24 8.335 -0.579 -9.059 212 HA ARG 24 HA ARG 24 11.038 0.071 -9.862 213 1HB ARG 24 HB2 ARG 24 8.329 0.559 -11.095 214 2HB ARG 24 HB1 ARG 24 9.842 1.069 -11.840 215 1HG ARG 24 HG2 ARG 24 10.568 -1.214 -12.047 216 2HG ARG 24 HG1 ARG 24 9.154 -1.785 -11.151 217 1HD ARG 24 HD2 ARG 24 8.863 -2.098 -13.553 218 2HD ARG 24 HD1 ARG 24 7.694 -0.943 -12.916 219 HE ARG 24 HE ARG 24 10.081 0.278 -13.973 220 1HH1 ARG 24 HH11 ARG 24 6.838 -0.851 -14.685 221 2HH1 ARG 24 HH12 ARG 24 6.708 0.075 -16.153 222 1HH2 ARG 24 HH21 ARG 24 9.899 1.505 -15.883 223 2HH2 ARG 24 HH22 ARG 24 8.440 1.426 -16.830 224 H ALA 25 HN ALA 25 8.157 1.666 -8.680 225 HA ALA 25 HA ALA 25 9.001 4.336 -9.134 226 1HB ALA 25 HB1 ALA 25 6.991 3.267 -7.159 227 2HB ALA 25 HB2 ALA 25 6.652 3.766 -8.818 228 3HB ALA 25 HB3 ALA 25 7.178 4.958 -7.627 229 H LEU 26 HN LEU 26 8.965 2.256 -6.309 230 HA LEU 26 HA LEU 26 10.219 4.241 -4.649 231 1HB LEU 26 HB2 LEU 26 9.447 1.370 -4.195 232 2HB LEU 26 HB1 LEU 26 10.195 2.369 -2.961 233 HG LEU 26 HG LEU 26 7.565 3.044 -4.281 234 1HD1 LEU 26 HD11 LEU 26 6.529 2.236 -2.194 235 2HD1 LEU 26 HD12 LEU 26 8.099 1.626 -1.671 236 3HD1 LEU 26 HD13 LEU 26 7.318 0.944 -3.099 237 1HD2 LEU 26 HD21 LEU 26 8.735 4.943 -3.302 238 2HD2 LEU 26 HD22 LEU 26 8.922 4.064 -1.786 239 3HD2 LEU 26 HD23 LEU 26 7.315 4.529 -2.341 240 H ASP 27 HN ASP 27 11.143 0.873 -4.796 241 HA ASP 27 HA ASP 27 13.639 0.829 -5.835 242 1HB ASP 27 HB2 ASP 27 14.307 2.689 -4.367 243 2HB ASP 27 HB1 ASP 27 13.768 1.794 -2.954 244 H ILE 28 HN ILE 28 11.954 -1.023 -5.836 245 HA ILE 28 HA ILE 28 12.770 -2.927 -3.739 246 HB ILE 28 HB ILE 28 10.063 -2.714 -5.064 247 1HG1 ILE 28 HG12 ILE 28 9.382 -2.821 -2.556 248 2HG1 ILE 28 HG11 ILE 28 11.052 -2.363 -2.246 249 1HG2 ILE 28 HG21 ILE 28 10.622 -5.024 -5.043 250 2HG2 ILE 28 HG22 ILE 28 9.468 -4.730 -3.741 251 3HG2 ILE 28 HG23 ILE 28 11.181 -4.935 -3.371 252 1HD1 ILE 28 HD11 ILE 28 10.739 -0.339 -3.551 253 2HD1 ILE 28 HD12 ILE 28 9.578 -0.440 -2.226 254 3HD1 ILE 28 HD13 ILE 28 9.071 -0.803 -3.877 255 H ALA 29 HN ALA 29 13.574 -4.822 -4.398 256 HA ALA 29 HA ALA 29 13.691 -5.253 -7.298 257 1HB ALA 29 HB1 ALA 29 15.402 -6.436 -5.122 258 2HB ALA 29 HB2 ALA 29 15.851 -5.100 -6.183 259 3HB ALA 29 HB3 ALA 29 15.601 -6.711 -6.853 260 H ILE 30 HN ILE 30 13.355 -7.138 -4.323 261 HA ILE 30 HA ILE 30 11.409 -8.840 -5.689 262 HB ILE 30 HB ILE 30 13.607 -9.937 -5.984 263 1HG1 ILE 30 HG12 ILE 30 11.328 -11.166 -5.529 264 2HG1 ILE 30 HG11 ILE 30 12.827 -12.077 -5.646 265 1HG2 ILE 30 HG21 ILE 30 14.786 -9.185 -4.054 266 2HG2 ILE 30 HG22 ILE 30 14.724 -10.947 -4.011 267 3HG2 ILE 30 HG23 ILE 30 13.652 -10.000 -2.978 268 1HD1 ILE 30 HD11 ILE 30 11.457 -12.865 -3.812 269 2HD1 ILE 30 HD12 ILE 30 11.447 -11.252 -3.101 270 3HD1 ILE 30 HD13 ILE 30 12.955 -12.160 -3.207 271 H LYS 31 HN LYS 31 12.933 -7.709 -2.776 272 HA LYS 31 HA LYS 31 10.399 -8.073 -1.364 273 1HB LYS 31 HB2 LYS 31 13.125 -8.506 -0.120 274 2HB LYS 31 HB1 LYS 31 11.578 -8.626 0.702 275 1HG LYS 31 HG2 LYS 31 11.232 -10.442 -1.271 276 2HG LYS 31 HG1 LYS 31 12.973 -10.564 -1.004 277 1HD LYS 31 HD2 LYS 31 11.957 -12.134 0.458 278 2HD LYS 31 HD1 LYS 31 12.463 -10.770 1.461 279 1HE LYS 31 HE2 LYS 31 10.348 -10.839 2.246 280 2HE LYS 31 HE1 LYS 31 9.963 -10.013 0.738 281 1HZ LYS 31 HZ1 LYS 31 8.504 -11.875 1.071 282 2HZ LYS 31 HZ2 LYS 31 9.817 -12.944 1.154 283 3HZ LYS 31 HZ3 LYS 31 9.479 -12.127 -0.294 284 H ASP 32 HN ASP 32 13.600 -6.622 -1.277 285 HA ASP 32 HA ASP 32 14.401 -4.798 -0.203 286 1HB ASP 32 HB2 ASP 32 12.556 -4.067 -2.350 287 2HB ASP 32 HB1 ASP 32 12.994 -2.732 -1.260 288 H SER 33 HN SER 33 11.748 -2.675 -0.192 289 HA SER 33 HA SER 33 10.778 -3.336 2.438 290 1HB SER 33 HB2 SER 33 12.468 -0.827 2.210 291 2HB SER 33 HB1 SER 33 11.692 -1.467 3.655 292 HG SER 33 HG SER 33 13.204 -3.404 2.752 293 H ILE 34 HN ILE 34 8.809 -2.399 2.776 294 HA ILE 34 HA ILE 34 8.182 0.105 1.363 295 HB ILE 34 HB ILE 34 6.186 -2.161 1.533 296 1HG1 ILE 34 HG12 ILE 34 6.488 -2.065 -1.072 297 2HG1 ILE 34 HG11 ILE 34 8.081 -1.427 -0.678 298 1HG2 ILE 34 HG21 ILE 34 5.218 0.054 1.489 299 2HG2 ILE 34 HG22 ILE 34 4.906 -0.776 -0.037 300 3HG2 ILE 34 HG23 ILE 34 6.158 0.461 0.055 301 1HD1 ILE 34 HD11 ILE 34 8.125 -3.830 -1.066 302 2HD1 ILE 34 HD12 ILE 34 6.975 -4.065 0.251 303 3HD1 ILE 34 HD13 ILE 34 8.586 -3.432 0.590 304 H GLU 35 HN GLU 35 8.029 1.419 3.115 305 HA GLU 35 HA GLU 35 6.521 0.516 5.471 306 1HB GLU 35 HB2 GLU 35 8.720 1.460 5.933 307 2HB GLU 35 HB1 GLU 35 8.319 2.913 5.025 308 1HG GLU 35 HG2 GLU 35 6.614 3.477 6.677 309 2HG GLU 35 HG1 GLU 35 7.005 2.013 7.580 310 H PHE 36 HN PHE 36 4.616 1.532 6.096 311 HA PHE 36 HA PHE 36 3.627 3.481 4.156 312 1HB PHE 36 HB2 PHE 36 1.310 2.279 4.999 313 2HB PHE 36 HB1 PHE 36 2.128 1.996 3.467 314 HD1 PHE 36 HD1 PHE 36 3.855 0.091 3.414 315 HD2 PHE 36 HD2 PHE 36 0.907 0.545 6.444 316 HE1 PHE 36 HE1 PHE 36 4.051 -2.298 3.957 317 HE2 PHE 36 HE2 PHE 36 1.107 -1.839 6.998 318 HZ PHE 36 HZ PHE 36 2.676 -3.262 5.756 319 H PHE 37 HN PHE 37 2.099 4.897 4.738 320 HA PHE 37 HA PHE 37 2.069 5.671 7.590 321 1HB PHE 37 HB2 PHE 37 1.521 7.519 5.270 322 2HB PHE 37 HB1 PHE 37 2.013 7.932 6.904 323 HD1 PHE 37 HD1 PHE 37 4.224 5.404 5.874 324 HD2 PHE 37 HD2 PHE 37 3.300 9.505 5.204 325 HE1 PHE 37 HE1 PHE 37 6.495 5.774 5.026 326 HE2 PHE 37 HE2 PHE 37 5.578 9.881 4.359 327 HZ PHE 37 HZ PHE 37 7.178 8.012 4.265 328 H VAL 38 HN VAL 38 0.055 6.775 8.192 329 HA VAL 38 HA VAL 38 -2.093 6.443 6.244 330 HB VAL 38 HB VAL 38 -2.594 4.669 7.731 331 1HG1 VAL 38 HG11 VAL 38 -2.847 4.951 10.154 332 2HG1 VAL 38 HG12 VAL 38 -2.316 6.627 10.016 333 3HG1 VAL 38 HG13 VAL 38 -1.202 5.316 9.633 334 1HG2 VAL 38 HG21 VAL 38 -4.781 5.214 8.322 335 2HG2 VAL 38 HG22 VAL 38 -4.386 6.379 7.047 336 3HG2 VAL 38 HG23 VAL 38 -4.354 6.873 8.740 337 H ASP 39 HN ASP 39 -3.215 8.172 5.898 338 HA ASP 39 HA ASP 39 -2.850 10.479 7.686 339 1HB ASP 39 HB2 ASP 39 -1.267 10.771 5.879 340 2HB ASP 39 HB1 ASP 39 -2.510 10.423 4.682 341 H GLY 40 HN GLY 40 -4.835 10.777 8.440 342 1HA GLY 40 HA2 GLY 40 -7.079 11.299 8.443 343 2HA GLY 40 HA1 GLY 40 -6.990 11.495 6.697 344 H ASP 41 HN ASP 41 -7.449 9.777 5.356 345 HA ASP 41 HA ASP 41 -8.396 7.295 6.648 346 1HB ASP 41 HB2 ASP 41 -9.602 8.597 4.191 347 2HB ASP 41 HB1 ASP 41 -10.168 7.125 4.974 348 H LYS 42 HN LYS 42 -5.975 8.445 4.971 349 HA LYS 42 HA LYS 42 -6.071 6.553 2.718 350 1HB LYS 42 HB2 LYS 42 -5.974 8.628 1.729 351 2HB LYS 42 HB1 LYS 42 -5.091 9.344 3.068 352 1HG LYS 42 HG2 LYS 42 -3.067 8.136 2.315 353 2HG LYS 42 HG1 LYS 42 -3.976 7.568 0.911 354 1HD LYS 42 HD2 LYS 42 -2.665 9.532 0.321 355 2HD LYS 42 HD1 LYS 42 -4.387 9.920 0.262 356 1HE LYS 42 HE2 LYS 42 -4.211 10.907 2.517 357 2HE LYS 42 HE1 LYS 42 -2.481 10.572 2.510 358 1HZ LYS 42 HZ1 LYS 42 -2.260 12.029 0.577 359 2HZ LYS 42 HZ2 LYS 42 -2.914 12.856 1.903 360 3HZ LYS 42 HZ3 LYS 42 -3.922 12.372 0.632 361 H ILE 43 HN ILE 43 -4.045 5.581 2.043 362 HA ILE 43 HA ILE 43 -2.133 5.301 4.284 363 HB ILE 43 HB ILE 43 -2.869 3.280 2.147 364 1HG1 ILE 43 HG12 ILE 43 -4.454 3.615 4.097 365 2HG1 ILE 43 HG11 ILE 43 -3.843 1.979 3.884 366 1HG2 ILE 43 HG21 ILE 43 -1.338 1.747 3.331 367 2HG2 ILE 43 HG22 ILE 43 -0.801 3.096 4.334 368 3HG2 ILE 43 HG23 ILE 43 -0.504 3.116 2.596 369 1HD1 ILE 43 HD11 ILE 43 -2.262 2.309 5.694 370 2HD1 ILE 43 HD12 ILE 43 -3.904 2.657 6.235 371 3HD1 ILE 43 HD13 ILE 43 -2.795 3.981 5.877 372 H ILE 44 HN ILE 44 0.074 5.367 3.808 373 HA ILE 44 HA ILE 44 0.736 6.497 1.146 374 HB ILE 44 HB ILE 44 2.089 7.325 3.713 375 1HG1 ILE 44 HG12 ILE 44 -0.278 8.663 2.394 376 2HG1 ILE 44 HG11 ILE 44 -0.295 7.857 3.949 377 1HG2 ILE 44 HG21 ILE 44 1.876 8.609 0.985 378 2HG2 ILE 44 HG22 ILE 44 3.289 7.791 1.652 379 3HG2 ILE 44 HG23 ILE 44 2.719 9.294 2.376 380 1HD1 ILE 44 HD11 ILE 44 -0.226 10.255 4.226 381 2HD1 ILE 44 HD12 ILE 44 1.243 10.346 3.253 382 3HD1 ILE 44 HD13 ILE 44 1.268 9.527 4.815 383 H LEU 45 HN LEU 45 2.179 5.168 0.126 384 HA LEU 45 HA LEU 45 3.871 3.477 1.819 385 1HB LEU 45 HB2 LEU 45 2.712 3.169 -0.886 386 2HB LEU 45 HB1 LEU 45 4.263 2.411 -0.583 387 HG LEU 45 HG LEU 45 3.272 1.192 1.329 388 1HD1 LEU 45 HD11 LEU 45 0.662 2.333 0.351 389 2HD1 LEU 45 HD12 LEU 45 1.462 2.737 1.870 390 3HD1 LEU 45 HD13 LEU 45 0.863 1.099 1.598 391 1HD2 LEU 45 HD21 LEU 45 1.934 -0.355 -0.021 392 2HD2 LEU 45 HD22 LEU 45 3.431 0.126 -0.821 393 3HD2 LEU 45 HD23 LEU 45 1.896 0.838 -1.320 394 H LYS 46 HN LYS 46 5.937 3.646 1.934 395 HA LYS 46 HA LYS 46 7.505 5.067 -0.099 396 1HB LYS 46 HB2 LYS 46 7.027 6.796 1.513 397 2HB LYS 46 HB1 LYS 46 7.380 5.719 2.855 398 1HG LYS 46 HG2 LYS 46 9.754 5.654 1.631 399 2HG LYS 46 HG1 LYS 46 9.211 7.253 1.120 400 1HD LYS 46 HD2 LYS 46 10.516 7.336 3.214 401 2HD LYS 46 HD1 LYS 46 8.861 7.906 3.437 402 1HE LYS 46 HE2 LYS 46 8.208 5.842 4.451 403 2HE LYS 46 HE1 LYS 46 9.749 5.088 4.037 404 1HZ LYS 46 HZ1 LYS 46 10.860 6.523 5.586 405 2HZ LYS 46 HZ2 LYS 46 9.578 5.749 6.384 406 3HZ LYS 46 HZ3 LYS 46 9.431 7.372 5.909 407 H LYS 47 HN LYS 47 9.557 4.185 -0.341 408 HA LYS 47 HA LYS 47 10.150 1.728 1.024 409 1HB LYS 47 HB2 LYS 47 10.835 2.468 -1.387 410 2HB LYS 47 HB1 LYS 47 12.169 3.282 -0.585 411 1HG LYS 47 HG2 LYS 47 11.647 0.384 -0.070 412 2HG LYS 47 HG1 LYS 47 12.500 0.890 -1.533 413 1HD LYS 47 HD2 LYS 47 14.174 2.022 -0.153 414 2HD LYS 47 HD1 LYS 47 13.307 1.537 1.304 415 1HE LYS 47 HE2 LYS 47 15.109 0.020 1.045 416 2HE LYS 47 HE1 LYS 47 13.646 -0.846 0.587 417 1HZ LYS 47 HZ1 LYS 47 15.453 -1.275 -0.958 418 2HZ LYS 47 HZ2 LYS 47 15.591 0.378 -1.301 419 3HZ LYS 47 HZ3 LYS 47 14.189 -0.463 -1.737 420 H TYR 48 HN TYR 48 11.952 1.376 2.455 421 HA TYR 48 HA TYR 48 11.965 3.316 4.520 422 1HB TYR 48 HB2 TYR 48 12.182 0.779 4.726 423 2HB TYR 48 HB1 TYR 48 13.867 0.996 4.239 424 HD1 TYR 48 HD1 TYR 48 11.385 1.748 6.866 425 HD2 TYR 48 HD2 TYR 48 15.502 1.789 5.794 426 HE1 TYR 48 HE1 TYR 48 11.984 2.176 9.210 427 HE2 TYR 48 HE2 TYR 48 16.113 2.215 8.138 428 HH TYR 48 HH TYR 48 15.052 3.185 10.171 429 H LYS 49 HN LYS 49 14.449 2.181 2.300 430 HA LYS 49 HA LYS 49 16.670 3.522 3.131 431 1HB LYS 49 HB2 LYS 49 16.516 1.817 1.311 432 2HB LYS 49 HB1 LYS 49 15.927 3.074 0.239 433 1HG LYS 49 HG2 LYS 49 18.554 3.392 1.629 434 2HG LYS 49 HG1 LYS 49 18.421 2.410 0.172 435 1HD LYS 49 HD2 LYS 49 17.453 4.357 -1.005 436 2HD LYS 49 HD1 LYS 49 17.694 5.326 0.448 437 1HE LYS 49 HE2 LYS 49 19.497 5.722 -1.118 438 2HE LYS 49 HE1 LYS 49 20.113 4.890 0.310 439 1HZ LYS 49 HZ1 LYS 49 19.424 3.575 -2.266 440 2HZ LYS 49 HZ2 LYS 49 20.104 2.821 -0.906 441 3HZ LYS 49 HZ3 LYS 49 20.995 3.977 -1.767 442 HA PRO 50 HA PRO 50 15.624 7.424 0.266 443 1HB PRO 50 HB2 PRO 50 12.657 7.185 0.417 444 2HB PRO 50 HB1 PRO 50 13.671 7.806 -0.891 445 1HG PRO 50 HG2 PRO 50 12.549 5.403 -1.070 446 2HG PRO 50 HG1 PRO 50 14.195 5.682 -1.668 447 1HD PRO 50 HD2 PRO 50 13.285 4.322 0.825 448 2HD PRO 50 HD1 PRO 50 14.659 3.940 -0.230 449 H HIS 51 HN HIS 51 16.262 8.728 1.872 450 HA HIS 51 HA HIS 51 14.939 8.676 4.417 451 1HB HIS 51 HB2 HIS 51 17.418 8.856 4.180 452 2HB HIS 51 HB1 HIS 51 17.198 10.473 3.523 453 HD1 HIS 51 HD1 HIS 51 17.443 12.271 5.199 454 HD2 HIS 51 HD2 HIS 51 16.173 8.705 6.922 455 HE1 HIS 51 HE1 HIS 51 17.323 12.715 7.674 456 HE2 HIS 51 HE2 HIS 51 16.345 10.609 8.663 457 H GLY 52 HN GLY 52 12.870 9.433 3.567 458 1HA GLY 52 HA2 GLY 52 12.702 12.330 3.236 459 2HA GLY 52 HA1 GLY 52 11.356 11.190 3.201 460 H VAL 53 HN VAL 53 10.495 10.423 5.136 461 HA VAL 53 HA VAL 53 11.585 11.257 7.659 462 HB VAL 53 HB VAL 53 10.292 13.261 6.928 463 1HG1 VAL 53 HG11 VAL 53 7.827 13.160 6.983 464 2HG1 VAL 53 HG12 VAL 53 7.929 11.403 7.096 465 3HG1 VAL 53 HG13 VAL 53 8.530 12.231 5.659 466 1HG2 VAL 53 HG21 VAL 53 9.052 13.539 9.041 467 2HG2 VAL 53 HG22 VAL 53 10.670 12.875 9.277 468 3HG2 VAL 53 HG23 VAL 53 9.261 11.817 9.365 469 H CYS 54 HN CYS 54 10.812 10.043 9.370 470 HA CYS 54 HA CYS 54 8.735 8.060 8.741 471 1HB CYS 54 HB2 CYS 54 10.074 6.386 10.061 472 2HB CYS 54 HB1 CYS 54 10.785 6.844 8.517 473 HG CYS 54 HG CYS 54 11.795 7.846 11.629 474 1H MET 1 HT1 MET 1 9.344 6.533 12.483 475 2H MET 1 HT2 MET 1 9.176 4.845 12.524 476 3H MET 1 HT3 MET 1 10.118 5.631 13.698 477 HA MET 1 HA MET 1 8.033 5.002 14.651 478 1HB MET 1 HB2 MET 1 9.050 7.146 15.353 479 2HB MET 1 HB1 MET 1 8.150 7.978 14.092 480 1HG MET 1 HG2 MET 1 6.054 7.367 15.166 481 2HG MET 1 HG1 MET 1 6.940 6.504 16.421 482 1HE MET 1 HE1 MET 1 4.757 8.720 17.060 483 2HE MET 1 HE2 MET 1 5.567 9.627 18.336 484 3HE MET 1 HE3 MET 1 5.671 7.868 18.303 485 H LYS 2 HN LYS 2 7.296 7.596 12.333 486 HA LYS 2 HA LYS 2 5.616 7.936 10.875 487 1HB LYS 2 HB2 LYS 2 5.951 4.965 10.685 488 2HB LYS 2 HB1 LYS 2 4.721 5.794 9.742 489 1HG LYS 2 HG2 LYS 2 7.609 6.608 9.661 490 2HG LYS 2 HG1 LYS 2 6.947 5.356 8.610 491 1HD LYS 2 HD2 LYS 2 6.954 7.454 7.420 492 2HD LYS 2 HD1 LYS 2 5.287 6.998 7.773 493 1HE LYS 2 HE2 LYS 2 5.246 8.530 9.659 494 2HE LYS 2 HE1 LYS 2 6.927 8.970 9.357 495 1HZ LYS 2 HZ1 LYS 2 5.645 10.663 8.421 496 2HZ LYS 2 HZ2 LYS 2 4.543 9.585 7.716 497 3HZ LYS 2 HZ3 LYS 2 6.116 9.717 7.097 498 H SER 3 HN SER 3 3.348 7.170 10.178 499 HA SER 3 HA SER 3 1.582 7.469 12.349 500 1HB SER 3 HB2 SER 3 1.010 6.524 9.523 501 2HB SER 3 HB1 SER 3 -0.163 7.213 10.657 502 HG SER 3 HG SER 3 0.845 9.181 10.508 503 H ILE 4 HN ILE 4 2.335 4.728 10.235 504 HA ILE 4 HA ILE 4 0.919 2.927 12.053 505 HB ILE 4 HB ILE 4 2.257 2.089 9.489 506 1HG1 ILE 4 HG12 ILE 4 -0.529 3.249 9.772 507 2HG1 ILE 4 HG11 ILE 4 0.828 4.025 8.955 508 1HG2 ILE 4 HG21 ILE 4 0.637 0.313 9.530 509 2HG2 ILE 4 HG22 ILE 4 -0.210 1.056 10.886 510 3HG2 ILE 4 HG23 ILE 4 1.410 0.400 11.112 511 1HD1 ILE 4 HD11 ILE 4 -0.796 2.979 7.417 512 2HD1 ILE 4 HD12 ILE 4 -0.401 1.406 8.113 513 3HD1 ILE 4 HD13 ILE 4 0.836 2.328 7.253 514 H GLY 5 HN GLY 5 4.055 3.351 10.464 515 1HA GLY 5 HA2 GLY 5 6.179 3.018 11.296 516 2HA GLY 5 HA1 GLY 5 5.463 2.527 12.831 517 H VAL 6 HN VAL 6 4.727 1.122 9.717 518 HA VAL 6 HA VAL 6 6.293 -1.242 10.456 519 HB VAL 6 HB VAL 6 4.538 -2.688 9.439 520 1HG1 VAL 6 HG11 VAL 6 2.956 -2.580 11.321 521 2HG1 VAL 6 HG12 VAL 6 3.653 -1.029 11.795 522 3HG1 VAL 6 HG13 VAL 6 4.638 -2.492 11.844 523 1HG2 VAL 6 HG21 VAL 6 3.456 -0.943 8.072 524 2HG2 VAL 6 HG22 VAL 6 2.803 -0.226 9.548 525 3HG2 VAL 6 HG23 VAL 6 2.314 -1.849 9.062 526 H VAL 7 HN VAL 7 7.584 -1.970 8.918 527 HA VAL 7 HA VAL 7 7.161 -1.008 6.172 528 HB VAL 7 HB VAL 7 9.301 -0.275 7.243 529 1HG1 VAL 7 HG11 VAL 7 11.106 -1.907 7.533 530 2HG1 VAL 7 HG12 VAL 7 9.966 -3.212 7.199 531 3HG1 VAL 7 HG13 VAL 7 9.758 -2.203 8.632 532 1HG2 VAL 7 HG21 VAL 7 10.766 -0.939 5.352 533 2HG2 VAL 7 HG22 VAL 7 9.175 -0.352 4.859 534 3HG2 VAL 7 HG23 VAL 7 9.510 -2.084 4.846 535 H ARG 8 HN ARG 8 7.270 -2.489 4.497 536 HA ARG 8 HA ARG 8 6.935 -5.279 5.374 537 1HB ARG 8 HB2 ARG 8 5.309 -3.556 3.655 538 2HB ARG 8 HB1 ARG 8 5.672 -5.117 2.934 539 1HG ARG 8 HG2 ARG 8 3.532 -4.976 4.243 540 2HG ARG 8 HG1 ARG 8 4.631 -6.286 4.696 541 1HD ARG 8 HD2 ARG 8 5.383 -5.109 6.619 542 2HD ARG 8 HD1 ARG 8 4.583 -3.626 6.105 543 HE ARG 8 HE ARG 8 2.488 -5.207 6.367 544 1HH1 ARG 8 HH11 ARG 8 5.292 -4.896 8.429 545 2HH1 ARG 8 HH12 ARG 8 4.426 -5.234 9.892 546 1HH2 ARG 8 HH21 ARG 8 1.326 -5.642 8.284 547 2HH2 ARG 8 HH22 ARG 8 2.145 -5.646 9.815 548 H LYS 9 HN LYS 9 7.412 -6.877 3.741 549 HA LYS 9 HA LYS 9 9.570 -6.031 1.928 550 1HB LYS 9 HB2 LYS 9 9.319 -8.717 3.314 551 2HB LYS 9 HB1 LYS 9 10.681 -8.147 2.356 552 1HG LYS 9 HG2 LYS 9 9.795 -7.111 5.046 553 2HG LYS 9 HG1 LYS 9 11.254 -8.035 4.687 554 1HD LYS 9 HD2 LYS 9 12.136 -6.205 3.370 555 2HD LYS 9 HD1 LYS 9 10.641 -5.289 3.576 556 1HE LYS 9 HE2 LYS 9 12.320 -4.431 5.065 557 2HE LYS 9 HE1 LYS 9 11.050 -5.217 6.000 558 1HZ LYS 9 HZ1 LYS 9 13.564 -6.603 5.265 559 2HZ LYS 9 HZ2 LYS 9 12.423 -7.050 6.441 560 3HZ LYS 9 HZ3 LYS 9 13.406 -5.688 6.687 561 H VAL 10 HN VAL 10 9.073 -6.338 -0.141 562 HA VAL 10 HA VAL 10 6.644 -7.415 -0.984 563 HB VAL 10 HB VAL 10 9.165 -6.648 -2.423 564 1HG1 VAL 10 HG11 VAL 10 6.837 -8.047 -3.737 565 2HG1 VAL 10 HG12 VAL 10 8.464 -8.702 -3.555 566 3HG1 VAL 10 HG13 VAL 10 8.193 -7.283 -4.568 567 1HG2 VAL 10 HG21 VAL 10 7.565 -4.931 -1.832 568 2HG2 VAL 10 HG22 VAL 10 6.275 -5.820 -2.643 569 3HG2 VAL 10 HG23 VAL 10 7.606 -5.143 -3.582 570 H ASP 11 HN ASP 11 5.977 -9.365 -1.482 571 HA ASP 11 HA ASP 11 7.159 -11.684 -0.569 572 1HB ASP 11 HB2 ASP 11 4.755 -11.367 -1.228 573 2HB ASP 11 HB1 ASP 11 5.251 -11.474 -2.910 574 H GLU 12 HN GLU 12 6.590 -11.292 -4.009 575 HA GLU 12 HA GLU 12 9.396 -11.328 -4.700 576 1HB GLU 12 HB2 GLU 12 7.560 -13.495 -5.773 577 2HB GLU 12 HB1 GLU 12 9.241 -13.239 -6.218 578 1HG GLU 12 HG2 GLU 12 9.902 -13.768 -3.912 579 2HG GLU 12 HG1 GLU 12 8.208 -14.082 -3.529 580 H LEU 13 HN LEU 13 6.040 -11.422 -5.619 581 HA LEU 13 HA LEU 13 6.521 -10.191 -8.203 582 1HB LEU 13 HB2 LEU 13 3.801 -10.714 -7.088 583 2HB LEU 13 HB1 LEU 13 4.355 -10.817 -8.747 584 HG LEU 13 HG LEU 13 5.742 -12.860 -7.829 585 1HD1 LEU 13 HD11 LEU 13 4.383 -14.075 -6.105 586 2HD1 LEU 13 HD12 LEU 13 3.521 -12.559 -5.814 587 3HD1 LEU 13 HD13 LEU 13 5.258 -12.664 -5.511 588 1HD2 LEU 13 HD21 LEU 13 3.918 -14.346 -8.428 589 2HD2 LEU 13 HD22 LEU 13 4.026 -12.992 -9.556 590 3HD2 LEU 13 HD23 LEU 13 2.774 -13.008 -8.311 591 H GLY 14 HN GLY 14 5.751 -9.295 -5.024 592 1HA GLY 14 HA2 GLY 14 5.941 -6.801 -4.712 593 2HA GLY 14 HA1 GLY 14 4.646 -6.705 -5.907 594 H ARG 15 HN ARG 15 3.850 -9.378 -4.349 595 HA ARG 15 HA ARG 15 1.713 -8.281 -2.907 596 1HB ARG 15 HB2 ARG 15 3.030 -10.977 -2.501 597 2HB ARG 15 HB1 ARG 15 1.407 -10.529 -1.987 598 1HG ARG 15 HG2 ARG 15 0.814 -10.199 -4.385 599 2HG ARG 15 HG1 ARG 15 2.407 -10.836 -4.812 600 1HD ARG 15 HD2 ARG 15 0.315 -12.299 -3.207 601 2HD ARG 15 HD1 ARG 15 0.651 -12.553 -4.919 602 HE ARG 15 HE ARG 15 2.889 -12.899 -3.097 603 1HH1 ARG 15 HH11 ARG 15 0.314 -14.389 -4.920 604 2HH1 ARG 15 HH12 ARG 15 1.073 -15.953 -4.971 605 1HH2 ARG 15 HH21 ARG 15 3.915 -14.938 -3.149 606 2HH2 ARG 15 HH22 ARG 15 3.111 -16.277 -3.929 607 H ILE 16 HN ILE 16 1.580 -7.436 -0.881 608 HA ILE 16 HA ILE 16 3.528 -8.295 1.126 609 HB ILE 16 HB ILE 16 4.334 -6.247 1.756 610 1HG1 ILE 16 HG12 ILE 16 1.835 -5.011 0.601 611 2HG1 ILE 16 HG11 ILE 16 2.314 -5.134 2.298 612 1HG2 ILE 16 HG21 ILE 16 5.107 -6.623 -0.520 613 2HG2 ILE 16 HG22 ILE 16 4.960 -4.900 -0.172 614 3HG2 ILE 16 HG23 ILE 16 3.733 -5.713 -1.144 615 1HD1 ILE 16 HD11 ILE 16 2.574 -2.867 1.434 616 2HD1 ILE 16 HD12 ILE 16 3.695 -3.460 0.208 617 3HD1 ILE 16 HD13 ILE 16 4.122 -3.562 1.917 618 H VAL 17 HN VAL 17 2.771 -7.157 3.330 619 HA VAL 17 HA VAL 17 -0.083 -7.799 3.479 620 HB VAL 17 HB VAL 17 1.018 -9.355 4.824 621 1HG1 VAL 17 HG11 VAL 17 2.723 -7.106 5.881 622 2HG1 VAL 17 HG12 VAL 17 3.233 -8.467 4.885 623 3HG1 VAL 17 HG13 VAL 17 2.709 -8.738 6.547 624 1HG2 VAL 17 HG21 VAL 17 -0.871 -8.386 5.981 625 2HG2 VAL 17 HG22 VAL 17 0.154 -7.115 6.654 626 3HG2 VAL 17 HG23 VAL 17 0.394 -8.796 7.141 627 H MET 18 HN MET 18 -1.264 -6.027 3.412 628 HA MET 18 HA MET 18 -0.481 -3.538 4.619 629 1HB MET 18 HB2 MET 18 -3.093 -4.538 3.478 630 2HB MET 18 HB1 MET 18 -2.922 -2.945 4.193 631 1HG MET 18 HG2 MET 18 -1.195 -3.858 1.922 632 2HG MET 18 HG1 MET 18 -2.782 -3.137 1.665 633 1HE MET 18 HE1 MET 18 0.734 -2.425 3.507 634 2HE MET 18 HE2 MET 18 1.100 -0.998 2.530 635 3HE MET 18 HE3 MET 18 0.819 -2.557 1.749 636 HA PRO 19 HA PRO 19 -2.019 -4.482 8.605 637 1HB PRO 19 HB2 PRO 19 -2.305 -2.014 9.654 638 2HB PRO 19 HB1 PRO 19 -0.730 -2.722 9.284 639 1HG PRO 19 HG2 PRO 19 -2.196 -0.579 7.903 640 2HG PRO 19 HG1 PRO 19 -0.464 -0.941 7.906 641 1HD PRO 19 HD2 PRO 19 -2.390 -1.579 5.890 642 2HD PRO 19 HD1 PRO 19 -0.661 -1.982 5.916 643 H ILE 20 HN ILE 20 -3.799 -4.624 9.958 644 HA ILE 20 HA ILE 20 -6.387 -4.280 8.998 645 HB ILE 20 HB ILE 20 -6.085 -5.688 10.890 646 1HG1 ILE 20 HG12 ILE 20 -7.645 -4.675 12.590 647 2HG1 ILE 20 HG11 ILE 20 -7.559 -3.169 11.673 648 1HG2 ILE 20 HG21 ILE 20 -4.950 -3.285 12.305 649 2HG2 ILE 20 HG22 ILE 20 -4.094 -4.753 11.833 650 3HG2 ILE 20 HG23 ILE 20 -5.329 -4.818 13.090 651 1HD1 ILE 20 HD11 ILE 20 -8.490 -4.285 9.737 652 2HD1 ILE 20 HD12 ILE 20 -9.559 -4.418 11.133 653 3HD1 ILE 20 HD13 ILE 20 -8.580 -5.800 10.638 654 H GLU 21 HN GLU 21 -4.201 -2.089 10.575 655 HA GLU 21 HA GLU 21 -5.901 0.028 11.205 656 1HB GLU 21 HB2 GLU 21 -3.078 0.300 10.162 657 2HB GLU 21 HB1 GLU 21 -3.921 1.371 11.277 658 1HG GLU 21 HG2 GLU 21 -3.259 -1.494 11.901 659 2HG GLU 21 HG1 GLU 21 -2.216 -0.134 12.320 660 H LEU 22 HN LEU 22 -4.586 -1.018 8.126 661 HA LEU 22 HA LEU 22 -5.316 1.374 6.709 662 1HB LEU 22 HB2 LEU 22 -3.726 0.366 5.441 663 2HB LEU 22 HB1 LEU 22 -4.112 -1.232 6.047 664 HG LEU 22 HG LEU 22 -6.119 -0.074 4.216 665 1HD1 LEU 22 HD11 LEU 22 -3.401 -0.915 3.221 666 2HD1 LEU 22 HD12 LEU 22 -4.064 0.717 3.164 667 3HD1 LEU 22 HD13 LEU 22 -4.810 -0.571 2.218 668 1HD2 LEU 22 HD21 LEU 22 -6.208 -2.380 5.138 669 2HD2 LEU 22 HD22 LEU 22 -4.712 -2.744 4.268 670 3HD2 LEU 22 HD23 LEU 22 -6.175 -2.332 3.372 671 H ARG 23 HN ARG 23 -6.597 -1.834 7.257 672 HA ARG 23 HA ARG 23 -8.948 -1.532 5.707 673 1HB ARG 23 HB2 ARG 23 -8.520 -3.241 8.173 674 2HB ARG 23 HB1 ARG 23 -9.856 -3.405 7.039 675 1HG ARG 23 HG2 ARG 23 -8.114 -3.825 5.258 676 2HG ARG 23 HG1 ARG 23 -6.946 -3.974 6.571 677 1HD ARG 23 HD2 ARG 23 -9.475 -5.557 6.689 678 2HD ARG 23 HD1 ARG 23 -8.204 -6.083 5.592 679 HE ARG 23 HE ARG 23 -6.793 -5.951 7.778 680 1HH1 ARG 23 HH11 ARG 23 -10.137 -6.984 7.552 681 2HH1 ARG 23 HH12 ARG 23 -9.987 -8.178 8.803 682 1HH2 ARG 23 HH21 ARG 23 -6.593 -7.550 9.406 683 2HH2 ARG 23 HH22 ARG 23 -7.962 -8.530 9.826 684 H ARG 24 HN ARG 24 -8.074 -0.492 8.875 685 HA ARG 24 HA ARG 24 -10.751 0.291 9.643 686 1HB ARG 24 HB2 ARG 24 -8.044 0.719 10.928 687 2HB ARG 24 HB1 ARG 24 -9.572 1.219 11.648 688 1HG ARG 24 HG2 ARG 24 -10.287 -1.041 11.870 689 2HG ARG 24 HG1 ARG 24 -8.932 -1.623 10.904 690 1HD ARG 24 HD2 ARG 24 -8.296 -2.074 13.101 691 2HD ARG 24 HD1 ARG 24 -7.442 -0.583 12.701 692 HE ARG 24 HE ARG 24 -9.946 -0.042 13.930 693 1HH1 ARG 24 HH11 ARG 24 -6.614 -0.904 14.573 694 2HH1 ARG 24 HH12 ARG 24 -6.702 -0.494 16.264 695 1HH2 ARG 24 HH21 ARG 24 -10.062 0.535 16.137 696 2HH2 ARG 24 HH22 ARG 24 -8.662 0.326 17.153 697 H ALA 25 HN ALA 25 -7.994 1.617 8.104 698 HA ALA 25 HA ALA 25 -8.519 4.388 8.609 699 1HB ALA 25 HB1 ALA 25 -6.792 2.967 6.580 700 2HB ALA 25 HB2 ALA 25 -6.272 3.636 8.139 701 3HB ALA 25 HB3 ALA 25 -6.796 4.716 6.846 702 H LEU 26 HN LEU 26 -8.768 2.273 5.791 703 HA LEU 26 HA LEU 26 -10.051 4.332 4.243 704 1HB LEU 26 HB2 LEU 26 -9.544 1.447 3.553 705 2HB LEU 26 HB1 LEU 26 -10.042 2.706 2.441 706 HG LEU 26 HG LEU 26 -7.443 2.927 3.925 707 1HD1 LEU 26 HD11 LEU 26 -6.343 1.870 2.009 708 2HD1 LEU 26 HD12 LEU 26 -7.920 1.485 1.318 709 3HD1 LEU 26 HD13 LEU 26 -7.418 0.746 2.839 710 1HD2 LEU 26 HD21 LEU 26 -8.402 3.953 1.252 711 2HD2 LEU 26 HD22 LEU 26 -6.828 4.270 1.984 712 3HD2 LEU 26 HD23 LEU 26 -8.295 4.896 2.739 713 H ASP 27 HN ASP 27 -10.956 0.953 4.451 714 HA ASP 27 HA ASP 27 -13.326 0.899 5.727 715 1HB ASP 27 HB2 ASP 27 -14.045 2.752 4.138 716 2HB ASP 27 HB1 ASP 27 -13.916 1.580 2.829 717 H ILE 28 HN ILE 28 -11.642 -0.949 5.598 718 HA ILE 28 HA ILE 28 -12.472 -2.830 3.476 719 HB ILE 28 HB ILE 28 -9.805 -2.738 4.915 720 1HG1 ILE 28 HG12 ILE 28 -8.822 -2.409 2.704 721 2HG1 ILE 28 HG11 ILE 28 -10.423 -2.476 1.954 722 1HG2 ILE 28 HG21 ILE 28 -10.871 -4.752 2.946 723 2HG2 ILE 28 HG22 ILE 28 -10.506 -5.031 4.648 724 3HG2 ILE 28 HG23 ILE 28 -9.204 -4.675 3.513 725 1HD1 ILE 28 HD11 ILE 28 -11.017 -0.454 3.197 726 2HD1 ILE 28 HD12 ILE 28 -9.668 -0.220 2.069 727 3HD1 ILE 28 HD13 ILE 28 -9.358 -0.373 3.805 728 H ALA 29 HN ALA 29 -13.284 -4.741 4.076 729 HA ALA 29 HA ALA 29 -13.612 -5.144 6.947 730 1HB ALA 29 HB1 ALA 29 -15.117 -6.360 4.652 731 2HB ALA 29 HB2 ALA 29 -15.603 -4.913 5.533 732 3HB ALA 29 HB3 ALA 29 -15.538 -6.473 6.364 733 H ILE 30 HN ILE 30 -13.108 -7.081 4.025 734 HA ILE 30 HA ILE 30 -11.167 -8.721 5.473 735 HB ILE 30 HB ILE 30 -13.374 -9.854 5.717 736 1HG1 ILE 30 HG12 ILE 30 -11.033 -11.032 5.402 737 2HG1 ILE 30 HG11 ILE 30 -12.513 -11.971 5.517 738 1HG2 ILE 30 HG21 ILE 30 -14.455 -9.200 3.684 739 2HG2 ILE 30 HG22 ILE 30 -14.364 -10.962 3.740 740 3HG2 ILE 30 HG23 ILE 30 -13.248 -10.052 2.719 741 1HD1 ILE 30 HD11 ILE 30 -11.086 -12.829 3.770 742 2HD1 ILE 30 HD12 ILE 30 -11.056 -11.249 2.985 743 3HD1 ILE 30 HD13 ILE 30 -12.563 -12.160 3.075 744 H LYS 31 HN LYS 31 -12.667 -7.730 2.482 745 HA LYS 31 HA LYS 31 -10.060 -8.003 1.174 746 1HB LYS 31 HB2 LYS 31 -12.713 -8.500 -0.198 747 2HB LYS 31 HB1 LYS 31 -11.117 -8.633 -0.920 748 1HG LYS 31 HG2 LYS 31 -10.723 -10.436 0.904 749 2HG LYS 31 HG1 LYS 31 -12.484 -10.465 1.002 750 1HD LYS 31 HD2 LYS 31 -11.837 -12.157 -0.543 751 2HD LYS 31 HD1 LYS 31 -12.513 -10.826 -1.485 752 1HE LYS 31 HE2 LYS 31 -10.244 -10.021 -1.953 753 2HE LYS 31 HE1 LYS 31 -9.581 -11.371 -1.031 754 1HZ LYS 31 HZ1 LYS 31 -10.757 -12.862 -2.623 755 2HZ LYS 31 HZ2 LYS 31 -9.497 -11.956 -3.305 756 3HZ LYS 31 HZ3 LYS 31 -11.110 -11.496 -3.567 757 H ASP 32 HN ASP 32 -13.286 -6.611 1.016 758 HA ASP 32 HA ASP 32 -14.116 -4.779 -0.029 759 1HB ASP 32 HB2 ASP 32 -12.377 -4.069 2.152 760 2HB ASP 32 HB1 ASP 32 -12.543 -2.736 1.005 761 H SER 33 HN SER 33 -11.407 -2.717 -0.015 762 HA SER 33 HA SER 33 -10.551 -3.253 -2.714 763 1HB SER 33 HB2 SER 33 -12.159 -0.730 -2.227 764 2HB SER 33 HB1 SER 33 -11.410 -1.235 -3.745 765 HG SER 33 HG SER 33 -13.184 -2.248 -4.162 766 H ILE 34 HN ILE 34 -8.530 -2.405 -3.010 767 HA ILE 34 HA ILE 34 -7.871 0.105 -1.634 768 HB ILE 34 HB ILE 34 -5.921 -2.209 -1.768 769 1HG1 ILE 34 HG12 ILE 34 -6.135 -1.976 0.829 770 2HG1 ILE 34 HG11 ILE 34 -7.708 -1.275 0.459 771 1HG2 ILE 34 HG21 ILE 34 -4.884 -0.026 -1.872 772 2HG2 ILE 34 HG22 ILE 34 -4.540 -0.798 -0.323 773 3HG2 ILE 34 HG23 ILE 34 -5.753 0.480 -0.422 774 1HD1 ILE 34 HD11 ILE 34 -7.930 -3.624 0.948 775 2HD1 ILE 34 HD12 ILE 34 -6.749 -4.025 -0.301 776 3HD1 ILE 34 HD13 ILE 34 -8.306 -3.328 -0.750 777 H GLU 35 HN GLU 35 -7.756 1.377 -3.411 778 HA GLU 35 HA GLU 35 -6.341 0.402 -5.786 779 1HB GLU 35 HB2 GLU 35 -8.551 1.410 -6.143 780 2HB GLU 35 HB1 GLU 35 -8.028 2.882 -5.338 781 1HG GLU 35 HG2 GLU 35 -6.400 3.270 -7.123 782 2HG GLU 35 HG1 GLU 35 -6.943 1.799 -7.930 783 H PHE 36 HN PHE 36 -4.405 1.286 -6.457 784 HA PHE 36 HA PHE 36 -3.325 3.346 -4.648 785 1HB PHE 36 HB2 PHE 36 -1.051 2.089 -5.473 786 2HB PHE 36 HB1 PHE 36 -1.855 1.822 -3.930 787 HD1 PHE 36 HD1 PHE 36 -3.671 -0.068 -3.933 788 HD2 PHE 36 HD2 PHE 36 -0.583 0.324 -6.830 789 HE1 PHE 36 HE1 PHE 36 -3.873 -2.458 -4.465 790 HE2 PHE 36 HE2 PHE 36 -0.787 -2.065 -7.371 791 HZ PHE 36 HZ PHE 36 -2.428 -3.457 -6.189 792 H PHE 37 HN PHE 37 -1.794 4.778 -5.400 793 HA PHE 37 HA PHE 37 -1.368 4.900 -8.275 794 1HB PHE 37 HB2 PHE 37 -1.982 7.379 -8.205 795 2HB PHE 37 HB1 PHE 37 -3.288 6.211 -8.268 796 HD1 PHE 37 HD1 PHE 37 -4.379 5.595 -5.986 797 HD2 PHE 37 HD2 PHE 37 -2.012 9.069 -6.647 798 HE1 PHE 37 HE1 PHE 37 -5.457 6.687 -4.067 799 HE2 PHE 37 HE2 PHE 37 -3.084 10.164 -4.724 800 HZ PHE 37 HZ PHE 37 -4.809 8.974 -3.430 801 H VAL 38 HN VAL 38 0.481 5.914 -8.867 802 HA VAL 38 HA VAL 38 2.349 6.288 -6.673 803 HB VAL 38 HB VAL 38 3.032 4.735 -8.408 804 1HG1 VAL 38 HG11 VAL 38 3.530 5.492 -10.693 805 2HG1 VAL 38 HG12 VAL 38 2.845 7.071 -10.308 806 3HG1 VAL 38 HG13 VAL 38 1.815 5.640 -10.305 807 1HG2 VAL 38 HG21 VAL 38 4.588 7.289 -8.187 808 2HG2 VAL 38 HG22 VAL 38 5.197 5.908 -9.103 809 3HG2 VAL 38 HG23 VAL 38 4.867 5.744 -7.378 810 H ASP 39 HN ASP 39 3.511 8.085 -6.339 811 HA ASP 39 HA ASP 39 2.967 10.448 -7.987 812 1HB ASP 39 HB2 ASP 39 1.457 10.685 -6.136 813 2HB ASP 39 HB1 ASP 39 2.707 10.235 -4.983 814 H GLY 40 HN GLY 40 4.919 10.705 -8.844 815 1HA GLY 40 HA2 GLY 40 7.145 11.288 -8.940 816 2HA GLY 40 HA1 GLY 40 7.128 11.475 -7.189 817 H ASP 41 HN ASP 41 7.538 9.699 -5.872 818 HA ASP 41 HA ASP 41 8.564 7.309 -7.256 819 1HB ASP 41 HB2 ASP 41 9.779 8.464 -4.740 820 2HB ASP 41 HB1 ASP 41 10.393 7.138 -5.721 821 H LYS 42 HN LYS 42 6.305 8.509 -5.136 822 HA LYS 42 HA LYS 42 6.479 6.186 -3.341 823 1HB LYS 42 HB2 LYS 42 5.789 7.460 -1.601 824 2HB LYS 42 HB1 LYS 42 6.445 8.760 -2.585 825 1HG LYS 42 HG2 LYS 42 4.246 9.277 -3.427 826 2HG LYS 42 HG1 LYS 42 3.563 7.907 -2.529 827 1HD LYS 42 HD2 LYS 42 3.126 9.906 -1.279 828 2HD LYS 42 HD1 LYS 42 4.395 9.013 -0.436 829 1HE LYS 42 HE2 LYS 42 5.220 11.178 -0.421 830 2HE LYS 42 HE1 LYS 42 6.006 10.462 -1.828 831 1HZ LYS 42 HZ1 LYS 42 4.424 11.527 -3.263 832 2HZ LYS 42 HZ2 LYS 42 5.124 12.694 -2.253 833 3HZ LYS 42 HZ3 LYS 42 3.554 12.134 -1.940 834 H ILE 43 HN ILE 43 4.261 5.586 -2.414 835 HA ILE 43 HA ILE 43 2.390 5.334 -4.681 836 HB ILE 43 HB ILE 43 3.098 3.211 -2.641 837 1HG1 ILE 43 HG12 ILE 43 4.748 3.546 -4.497 838 2HG1 ILE 43 HG11 ILE 43 4.013 1.946 -4.473 839 1HG2 ILE 43 HG21 ILE 43 1.586 1.797 -4.157 840 2HG2 ILE 43 HG22 ILE 43 0.950 3.348 -4.722 841 3HG2 ILE 43 HG23 ILE 43 0.824 2.908 -3.020 842 1HD1 ILE 43 HD11 ILE 43 4.038 2.536 -6.720 843 2HD1 ILE 43 HD12 ILE 43 3.558 4.201 -6.389 844 3HD1 ILE 43 HD13 ILE 43 2.384 2.895 -6.216 845 H ILE 44 HN ILE 44 0.180 5.433 -4.176 846 HA ILE 44 HA ILE 44 -0.385 6.227 -1.388 847 HB ILE 44 HB ILE 44 -1.732 7.496 -3.768 848 1HG1 ILE 44 HG12 ILE 44 0.671 8.517 -2.227 849 2HG1 ILE 44 HG11 ILE 44 0.680 7.970 -3.902 850 1HG2 ILE 44 HG21 ILE 44 -2.917 7.636 -1.650 851 2HG2 ILE 44 HG22 ILE 44 -2.306 9.224 -2.115 852 3HG2 ILE 44 HG23 ILE 44 -1.478 8.291 -0.867 853 1HD1 ILE 44 HD11 ILE 44 -0.793 9.813 -4.510 854 2HD1 ILE 44 HD12 ILE 44 0.693 10.392 -3.757 855 3HD1 ILE 44 HD13 ILE 44 -0.808 10.357 -2.832 856 H LEU 45 HN LEU 45 -2.015 5.144 -0.478 857 HA LEU 45 HA LEU 45 -3.611 3.425 -2.247 858 1HB LEU 45 HB2 LEU 45 -2.459 3.039 0.464 859 2HB LEU 45 HB1 LEU 45 -3.985 2.253 0.110 860 HG LEU 45 HG LEU 45 -2.944 1.095 -1.800 861 1HD1 LEU 45 HD11 LEU 45 -0.356 2.282 -0.828 862 2HD1 LEU 45 HD12 LEU 45 -1.205 2.765 -2.296 863 3HD1 LEU 45 HD13 LEU 45 -0.564 1.125 -2.146 864 1HD2 LEU 45 HD21 LEU 45 -1.498 0.753 0.817 865 2HD2 LEU 45 HD22 LEU 45 -1.536 -0.423 -0.496 866 3HD2 LEU 45 HD23 LEU 45 -3.022 -0.004 0.354 867 H LYS 46 HN LYS 46 -5.687 3.601 -2.361 868 HA LYS 46 HA LYS 46 -7.240 4.963 -0.280 869 1HB LYS 46 HB2 LYS 46 -6.735 6.749 -1.804 870 2HB LYS 46 HB1 LYS 46 -7.075 5.735 -3.197 871 1HG LYS 46 HG2 LYS 46 -9.465 5.655 -1.956 872 2HG LYS 46 HG1 LYS 46 -8.901 7.256 -1.470 873 1HD LYS 46 HD2 LYS 46 -10.211 7.313 -3.564 874 2HD LYS 46 HD1 LYS 46 -8.551 7.872 -3.791 875 1HE LYS 46 HE2 LYS 46 -7.909 5.788 -4.774 876 2HE LYS 46 HE1 LYS 46 -9.449 5.049 -4.347 877 1HZ LYS 46 HZ1 LYS 46 -10.564 6.493 -5.899 878 2HZ LYS 46 HZ2 LYS 46 -9.312 5.658 -6.697 879 3HZ LYS 46 HZ3 LYS 46 -9.112 7.285 -6.268 880 H LYS 47 HN LYS 47 -9.277 4.085 -0.039 881 HA LYS 47 HA LYS 47 -9.932 1.655 -1.405 882 1HB LYS 47 HB2 LYS 47 -10.610 2.496 0.993 883 2HB LYS 47 HB1 LYS 47 -11.933 3.282 0.151 884 1HG LYS 47 HG2 LYS 47 -11.432 0.341 -0.182 885 2HG LYS 47 HG1 LYS 47 -12.335 0.967 1.200 886 1HD LYS 47 HD2 LYS 47 -13.902 2.051 -0.368 887 2HD LYS 47 HD1 LYS 47 -13.005 1.342 -1.712 888 1HE LYS 47 HE2 LYS 47 -14.874 -0.061 -1.336 889 2HE LYS 47 HE1 LYS 47 -13.469 -0.910 -0.696 890 1HZ LYS 47 HZ1 LYS 47 -15.204 -1.129 0.870 891 2HZ LYS 47 HZ2 LYS 47 -15.566 0.525 0.835 892 3HZ LYS 47 HZ3 LYS 47 -14.119 -0.014 1.531 893 H TYR 48 HN TYR 48 -11.653 1.318 -2.900 894 HA TYR 48 HA TYR 48 -11.663 3.238 -4.966 895 1HB TYR 48 HB2 TYR 48 -11.880 0.722 -5.196 896 2HB TYR 48 HB1 TYR 48 -13.555 0.904 -4.671 897 HD1 TYR 48 HD1 TYR 48 -11.164 1.518 -7.386 898 HD2 TYR 48 HD2 TYR 48 -15.225 1.871 -6.153 899 HE1 TYR 48 HE1 TYR 48 -11.829 1.957 -9.712 900 HE2 TYR 48 HE2 TYR 48 -15.895 2.308 -8.479 901 HH TYR 48 HH TYR 48 -14.747 3.245 -10.580 902 H LYS 49 HN LYS 49 -14.240 2.104 -2.835 903 HA LYS 49 HA LYS 49 -16.384 3.514 -3.712 904 1HB LYS 49 HB2 LYS 49 -16.359 1.781 -1.929 905 2HB LYS 49 HB1 LYS 49 -15.751 2.985 -0.808 906 1HG LYS 49 HG2 LYS 49 -18.317 3.472 -2.263 907 2HG LYS 49 HG1 LYS 49 -18.282 2.410 -0.855 908 1HD LYS 49 HD2 LYS 49 -17.247 4.257 0.446 909 2HD LYS 49 HD1 LYS 49 -17.437 5.306 -0.960 910 1HE LYS 49 HE2 LYS 49 -19.250 5.686 0.586 911 2HE LYS 49 HE1 LYS 49 -19.872 4.927 -0.878 912 1HZ LYS 49 HZ1 LYS 49 -19.288 3.524 1.680 913 2HZ LYS 49 HZ2 LYS 49 -19.899 2.801 0.277 914 3HZ LYS 49 HZ3 LYS 49 -20.828 3.947 1.115 915 HA PRO 50 HA PRO 50 -15.361 7.325 -0.682 916 1HB PRO 50 HB2 PRO 50 -12.395 6.994 -0.891 917 2HB PRO 50 HB1 PRO 50 -13.359 7.689 0.419 918 1HG PRO 50 HG2 PRO 50 -12.372 5.242 0.654 919 2HG PRO 50 HG1 PRO 50 -14.013 5.607 1.219 920 1HD PRO 50 HD2 PRO 50 -13.131 4.146 -1.226 921 2HD PRO 50 HD1 PRO 50 -14.553 3.875 -0.198 922 H HIS 51 HN HIS 51 -15.954 8.743 -2.173 923 HA HIS 51 HA HIS 51 -14.779 8.688 -4.793 924 1HB HIS 51 HB2 HIS 51 -17.226 8.963 -4.415 925 2HB HIS 51 HB1 HIS 51 -16.906 10.544 -3.712 926 HD1 HIS 51 HD1 HIS 51 -16.848 12.476 -5.294 927 HD2 HIS 51 HD2 HIS 51 -16.465 8.817 -7.241 928 HE1 HIS 51 HE1 HIS 51 -16.930 12.999 -7.753 929 HE2 HIS 51 HE2 HIS 51 -16.890 10.752 -8.901 930 H GLY 52 HN GLY 52 -12.659 9.373 -4.338 931 1HA GLY 52 HA2 GLY 52 -12.422 12.281 -3.933 932 2HA GLY 52 HA1 GLY 52 -11.093 11.124 -3.830 933 H VAL 53 HN VAL 53 -10.187 10.302 -5.708 934 HA VAL 53 HA VAL 53 -11.279 11.040 -8.279 935 HB VAL 53 HB VAL 53 -9.905 13.008 -7.745 936 1HG1 VAL 53 HG11 VAL 53 -7.470 12.826 -7.540 937 2HG1 VAL 53 HG12 VAL 53 -7.603 11.068 -7.556 938 3HG1 VAL 53 HG13 VAL 53 -8.299 11.992 -6.224 939 1HG2 VAL 53 HG21 VAL 53 -8.820 11.216 -9.911 940 2HG2 VAL 53 HG22 VAL 53 -8.407 12.923 -9.746 941 3HG2 VAL 53 HG23 VAL 53 -10.076 12.447 -10.058 942 H CYS 54 HN CYS 54 -10.634 9.665 -9.908 943 HA CYS 54 HA CYS 54 -8.652 7.614 -9.210 944 1HB CYS 54 HB2 CYS 54 -10.175 5.913 -10.306 945 2HB CYS 54 HB1 CYS 54 -10.705 6.512 -8.738 946 HG CYS 54 HG CYS 54 -11.940 7.538 -11.759 Start of MODEL 6 1 1H MET 1 HT1 MET 1 -7.814 4.020 -12.430 2 2H MET 1 HT2 MET 1 -9.422 3.618 -12.076 3 3H MET 1 HT3 MET 1 -8.344 3.985 -10.814 4 HA MET 1 HA MET 1 -9.319 5.851 -12.904 5 1HB MET 1 HB2 MET 1 -9.826 5.693 -9.926 6 2HB MET 1 HB1 MET 1 -10.296 7.051 -10.937 7 1HG MET 1 HG2 MET 1 -11.749 5.589 -12.238 8 2HG MET 1 HG1 MET 1 -11.274 4.221 -11.235 9 1HE MET 1 HE1 MET 1 -14.314 5.156 -11.788 10 2HE MET 1 HE2 MET 1 -15.001 4.937 -10.177 11 3HE MET 1 HE3 MET 1 -13.883 3.739 -10.827 12 H LYS 2 HN LYS 2 -7.051 5.193 -10.314 13 HA LYS 2 HA LYS 2 -6.005 7.900 -10.401 14 1HB LYS 2 HB2 LYS 2 -5.218 5.495 -8.751 15 2HB LYS 2 HB1 LYS 2 -4.502 7.098 -8.585 16 1HG LYS 2 HG2 LYS 2 -6.866 7.939 -8.177 17 2HG LYS 2 HG1 LYS 2 -7.319 6.241 -8.010 18 1HD LYS 2 HD2 LYS 2 -5.155 7.569 -6.388 19 2HD LYS 2 HD1 LYS 2 -6.832 7.430 -5.858 20 1HE LYS 2 HE2 LYS 2 -6.667 4.988 -6.028 21 2HE LYS 2 HE1 LYS 2 -4.984 5.148 -6.533 22 1HZ LYS 2 HZ1 LYS 2 -6.019 6.159 -3.945 23 2HZ LYS 2 HZ2 LYS 2 -4.401 6.045 -4.428 24 3HZ LYS 2 HZ3 LYS 2 -5.301 4.639 -4.141 25 H SER 3 HN SER 3 -3.384 7.708 -10.022 26 HA SER 3 HA SER 3 -2.162 7.634 -12.432 27 1HB SER 3 HB2 SER 3 -0.899 6.794 -9.817 28 2HB SER 3 HB1 SER 3 -0.044 7.419 -11.235 29 HG SER 3 HG SER 3 -0.750 9.397 -10.817 30 H ILE 4 HN ILE 4 -1.979 4.941 -10.110 31 HA ILE 4 HA ILE 4 -0.992 3.170 -12.170 32 HB ILE 4 HB ILE 4 -1.925 2.060 -9.571 33 1HG1 ILE 4 HG12 ILE 4 0.481 3.885 -9.815 34 2HG1 ILE 4 HG11 ILE 4 -0.938 4.150 -8.814 35 1HG2 ILE 4 HG21 ILE 4 0.618 1.704 -11.162 36 2HG2 ILE 4 HG22 ILE 4 -0.820 0.689 -11.291 37 3HG2 ILE 4 HG23 ILE 4 0.099 0.731 -9.785 38 1HD1 ILE 4 HD11 ILE 4 1.074 1.944 -8.458 39 2HD1 ILE 4 HD12 ILE 4 -0.355 2.214 -7.459 40 3HD1 ILE 4 HD13 ILE 4 0.941 3.409 -7.484 41 H GLY 5 HN GLY 5 -3.893 3.818 -10.338 42 1HA GLY 5 HA2 GLY 5 -6.097 3.530 -10.912 43 2HA GLY 5 HA1 GLY 5 -5.546 2.958 -12.482 44 H VAL 6 HN VAL 6 -4.199 1.328 -9.840 45 HA VAL 6 HA VAL 6 -5.898 -0.959 -10.510 46 HB VAL 6 HB VAL 6 -4.057 -2.383 -9.652 47 1HG1 VAL 6 HG11 VAL 6 -2.483 -1.926 -11.537 48 2HG1 VAL 6 HG12 VAL 6 -3.390 -0.443 -11.862 49 3HG1 VAL 6 HG13 VAL 6 -4.180 -2.013 -12.013 50 1HG2 VAL 6 HG21 VAL 6 -3.014 -0.813 -8.116 51 2HG2 VAL 6 HG22 VAL 6 -2.549 0.223 -9.465 52 3HG2 VAL 6 HG23 VAL 6 -1.840 -1.385 -9.301 53 H VAL 7 HN VAL 7 -7.080 -1.921 -9.087 54 HA VAL 7 HA VAL 7 -6.876 -1.068 -6.280 55 HB VAL 7 HB VAL 7 -8.968 -0.335 -7.319 56 1HG1 VAL 7 HG11 VAL 7 -10.649 -1.947 -8.066 57 2HG1 VAL 7 HG12 VAL 7 -9.500 -3.261 -7.815 58 3HG1 VAL 7 HG13 VAL 7 -9.184 -2.036 -9.046 59 1HG2 VAL 7 HG21 VAL 7 -10.548 -1.434 -5.717 60 2HG2 VAL 7 HG22 VAL 7 -9.070 -0.802 -4.988 61 3HG2 VAL 7 HG23 VAL 7 -9.235 -2.533 -5.281 62 H ARG 8 HN ARG 8 -6.897 -2.594 -4.704 63 HA ARG 8 HA ARG 8 -6.500 -5.365 -5.617 64 1HB ARG 8 HB2 ARG 8 -4.999 -3.637 -3.756 65 2HB ARG 8 HB1 ARG 8 -5.275 -5.278 -3.189 66 1HG ARG 8 HG2 ARG 8 -3.113 -4.881 -4.400 67 2HG ARG 8 HG1 ARG 8 -4.106 -6.208 -5.011 68 1HD ARG 8 HD2 ARG 8 -4.807 -4.973 -6.879 69 2HD ARG 8 HD1 ARG 8 -4.247 -3.449 -6.190 70 HE ARG 8 HE ARG 8 -1.949 -4.698 -6.392 71 1HH1 ARG 8 HH11 ARG 8 -4.588 -4.712 -8.700 72 2HH1 ARG 8 HH12 ARG 8 -3.540 -4.882 -10.080 73 1HH2 ARG 8 HH21 ARG 8 -0.591 -4.901 -8.209 74 2HH2 ARG 8 HH22 ARG 8 -1.277 -4.962 -9.800 75 H LYS 9 HN LYS 9 -7.149 -7.022 -4.189 76 HA LYS 9 HA LYS 9 -9.161 -6.191 -2.216 77 1HB LYS 9 HB2 LYS 9 -9.196 -8.356 -4.262 78 2HB LYS 9 HB1 LYS 9 -9.916 -8.707 -2.699 79 1HG LYS 9 HG2 LYS 9 -11.550 -7.929 -4.369 80 2HG LYS 9 HG1 LYS 9 -11.483 -6.917 -2.932 81 1HD LYS 9 HD2 LYS 9 -11.673 -5.536 -4.908 82 2HD LYS 9 HD1 LYS 9 -10.092 -5.287 -4.166 83 1HE LYS 9 HE2 LYS 9 -9.897 -5.438 -6.595 84 2HE LYS 9 HE1 LYS 9 -9.097 -6.807 -5.819 85 1HZ LYS 9 HZ1 LYS 9 -10.848 -8.242 -6.403 86 2HZ LYS 9 HZ2 LYS 9 -10.521 -7.348 -7.806 87 3HZ LYS 9 HZ3 LYS 9 -11.871 -6.963 -6.852 88 H VAL 10 HN VAL 10 -8.695 -6.687 -0.219 89 HA VAL 10 HA VAL 10 -6.227 -7.721 0.551 90 HB VAL 10 HB VAL 10 -8.779 -7.204 2.069 91 1HG1 VAL 10 HG11 VAL 10 -7.571 -7.567 4.155 92 2HG1 VAL 10 HG12 VAL 10 -6.161 -8.120 3.249 93 3HG1 VAL 10 HG13 VAL 10 -7.658 -9.051 3.207 94 1HG2 VAL 10 HG21 VAL 10 -7.541 -5.270 1.293 95 2HG2 VAL 10 HG22 VAL 10 -6.074 -5.879 2.058 96 3HG2 VAL 10 HG23 VAL 10 -7.450 -5.394 3.050 97 H ASP 11 HN ASP 11 -5.562 -9.612 1.394 98 HA ASP 11 HA ASP 11 -6.751 -12.040 0.606 99 1HB ASP 11 HB2 ASP 11 -4.449 -12.172 0.874 100 2HB ASP 11 HB1 ASP 11 -4.463 -11.218 2.348 101 H GLU 12 HN GLU 12 -5.980 -11.288 3.969 102 HA GLU 12 HA GLU 12 -8.734 -11.512 4.850 103 1HB GLU 12 HB2 GLU 12 -6.650 -13.451 5.911 104 2HB GLU 12 HB1 GLU 12 -8.318 -13.323 6.440 105 1HG GLU 12 HG2 GLU 12 -9.018 -14.018 4.151 106 2HG GLU 12 HG1 GLU 12 -7.317 -14.304 3.782 107 H LEU 13 HN LEU 13 -5.327 -11.384 5.648 108 HA LEU 13 HA LEU 13 -5.706 -10.081 8.196 109 1HB LEU 13 HB2 LEU 13 -3.136 -10.351 6.656 110 2HB LEU 13 HB1 LEU 13 -3.344 -10.219 8.391 111 HG LEU 13 HG LEU 13 -4.367 -12.598 6.871 112 1HD1 LEU 13 HD11 LEU 13 -2.278 -13.731 7.351 113 2HD1 LEU 13 HD12 LEU 13 -1.629 -12.263 8.083 114 3HD1 LEU 13 HD13 LEU 13 -1.986 -12.301 6.352 115 1HD2 LEU 13 HD21 LEU 13 -4.135 -13.684 9.048 116 2HD2 LEU 13 HD22 LEU 13 -5.193 -12.277 9.145 117 3HD2 LEU 13 HD23 LEU 13 -3.536 -12.177 9.741 118 H GLY 14 HN GLY 14 -5.220 -9.163 4.926 119 1HA GLY 14 HA2 GLY 14 -5.575 -6.671 4.579 120 2HA GLY 14 HA1 GLY 14 -4.229 -6.502 5.702 121 H ARG 15 HN ARG 15 -3.474 -9.212 4.191 122 HA ARG 15 HA ARG 15 -1.378 -8.105 2.687 123 1HB ARG 15 HB2 ARG 15 -2.551 -10.861 2.265 124 2HB ARG 15 HB1 ARG 15 -0.901 -10.342 1.957 125 1HG ARG 15 HG2 ARG 15 -0.618 -10.010 4.412 126 2HG ARG 15 HG1 ARG 15 -2.226 -10.715 4.637 127 1HD ARG 15 HD2 ARG 15 0.089 -12.096 3.278 128 2HD ARG 15 HD1 ARG 15 -0.397 -12.353 4.951 129 HE ARG 15 HE ARG 15 -2.670 -12.933 3.720 130 1HH1 ARG 15 HH11 ARG 15 0.608 -13.845 2.831 131 2HH1 ARG 15 HH12 ARG 15 0.119 -15.363 2.139 132 1HH2 ARG 15 HH21 ARG 15 -3.300 -14.914 2.779 133 2HH2 ARG 15 HH22 ARG 15 -2.089 -15.967 2.094 134 H ILE 16 HN ILE 16 -1.307 -7.317 0.671 135 HA ILE 16 HA ILE 16 -3.236 -8.259 -1.322 136 HB ILE 16 HB ILE 16 -4.002 -6.196 -2.025 137 1HG1 ILE 16 HG12 ILE 16 -1.597 -4.966 -0.675 138 2HG1 ILE 16 HG11 ILE 16 -1.942 -5.066 -2.407 139 1HG2 ILE 16 HG21 ILE 16 -4.891 -6.638 0.204 140 2HG2 ILE 16 HG22 ILE 16 -4.762 -4.908 -0.112 141 3HG2 ILE 16 HG23 ILE 16 -3.571 -5.708 0.916 142 1HD1 ILE 16 HD11 ILE 16 -2.310 -2.820 -1.596 143 2HD1 ILE 16 HD12 ILE 16 -3.442 -3.416 -0.382 144 3HD1 ILE 16 HD13 ILE 16 -3.838 -3.545 -2.098 145 H VAL 17 HN VAL 17 -2.445 -7.034 -3.530 146 HA VAL 17 HA VAL 17 0.410 -7.700 -3.630 147 HB VAL 17 HB VAL 17 -0.802 -9.216 -5.011 148 1HG1 VAL 17 HG11 VAL 17 -2.885 -8.068 -5.294 149 2HG1 VAL 17 HG12 VAL 17 -2.235 -8.447 -6.889 150 3HG1 VAL 17 HG13 VAL 17 -2.115 -6.805 -6.256 151 1HG2 VAL 17 HG21 VAL 17 0.478 -7.098 -6.734 152 2HG2 VAL 17 HG22 VAL 17 0.112 -8.744 -7.249 153 3HG2 VAL 17 HG23 VAL 17 1.290 -8.463 -5.966 154 H MET 18 HN MET 18 1.710 -6.002 -3.719 155 HA MET 18 HA MET 18 0.779 -3.486 -4.824 156 1HB MET 18 HB2 MET 18 3.358 -4.351 -3.533 157 2HB MET 18 HB1 MET 18 3.221 -2.802 -4.366 158 1HG MET 18 HG2 MET 18 1.479 -3.711 -2.089 159 2HG MET 18 HG1 MET 18 2.849 -2.605 -1.955 160 1HE MET 18 HE1 MET 18 -0.578 -2.491 -1.488 161 2HE MET 18 HE2 MET 18 -0.781 -0.747 -1.654 162 3HE MET 18 HE3 MET 18 0.545 -1.392 -0.684 163 HA PRO 19 HA PRO 19 2.200 -4.344 -8.827 164 1HB PRO 19 HB2 PRO 19 2.446 -1.899 -9.896 165 2HB PRO 19 HB1 PRO 19 0.876 -2.551 -9.407 166 1HG PRO 19 HG2 PRO 19 2.614 -0.553 -8.047 167 2HG PRO 19 HG1 PRO 19 0.848 -0.635 -8.130 168 1HD PRO 19 HD2 PRO 19 2.409 -1.482 -5.973 169 2HD PRO 19 HD1 PRO 19 0.719 -1.933 -6.268 170 H ILE 20 HN ILE 20 3.935 -4.513 -10.198 171 HA ILE 20 HA ILE 20 6.551 -4.250 -9.334 172 HB ILE 20 HB ILE 20 6.047 -5.568 -11.276 173 1HG1 ILE 20 HG12 ILE 20 7.707 -4.699 -12.929 174 2HG1 ILE 20 HG11 ILE 20 7.770 -3.195 -12.020 175 1HG2 ILE 20 HG21 ILE 20 5.105 -2.989 -12.509 176 2HG2 ILE 20 HG22 ILE 20 4.179 -4.461 -12.206 177 3HG2 ILE 20 HG23 ILE 20 5.433 -4.449 -13.447 178 1HD1 ILE 20 HD11 ILE 20 8.653 -4.363 -10.096 179 2HD1 ILE 20 HD12 ILE 20 9.649 -4.674 -11.518 180 3HD1 ILE 20 HD13 ILE 20 8.519 -5.901 -10.946 181 H GLU 21 HN GLU 21 4.417 -1.921 -10.782 182 HA GLU 21 HA GLU 21 6.209 0.130 -11.424 183 1HB GLU 21 HB2 GLU 21 3.399 0.502 -10.383 184 2HB GLU 21 HB1 GLU 21 4.268 1.517 -11.530 185 1HG GLU 21 HG2 GLU 21 3.457 -1.334 -12.030 186 2HG GLU 21 HG1 GLU 21 2.550 0.084 -12.574 187 H LEU 22 HN LEU 22 4.888 -0.904 -8.369 188 HA LEU 22 HA LEU 22 5.689 1.465 -6.942 189 1HB LEU 22 HB2 LEU 22 4.017 0.513 -5.732 190 2HB LEU 22 HB1 LEU 22 4.368 -1.097 -6.322 191 HG LEU 22 HG LEU 22 6.334 0.008 -4.410 192 1HD1 LEU 22 HD11 LEU 22 4.934 -0.513 -2.481 193 2HD1 LEU 22 HD12 LEU 22 3.564 -0.812 -3.550 194 3HD1 LEU 22 HD13 LEU 22 4.248 0.809 -3.426 195 1HD2 LEU 22 HD21 LEU 22 4.899 -2.638 -4.633 196 2HD2 LEU 22 HD22 LEU 22 6.280 -2.283 -3.595 197 3HD2 LEU 22 HD23 LEU 22 6.467 -2.268 -5.351 198 H ARG 23 HN ARG 23 6.832 -1.802 -7.480 199 HA ARG 23 HA ARG 23 9.175 -1.621 -5.903 200 1HB ARG 23 HB2 ARG 23 8.739 -3.292 -8.393 201 2HB ARG 23 HB1 ARG 23 10.007 -3.529 -7.196 202 1HG ARG 23 HG2 ARG 23 8.167 -3.865 -5.498 203 2HG ARG 23 HG1 ARG 23 7.050 -3.950 -6.861 204 1HD ARG 23 HD2 ARG 23 9.494 -5.674 -6.825 205 2HD ARG 23 HD1 ARG 23 8.096 -6.130 -5.860 206 HE ARG 23 HE ARG 23 6.966 -5.791 -8.242 207 1HH1 ARG 23 HH11 ARG 23 9.972 -7.384 -7.425 208 2HH1 ARG 23 HH12 ARG 23 9.797 -8.631 -8.618 209 1HH2 ARG 23 HH21 ARG 23 6.717 -7.448 -9.823 210 2HH2 ARG 23 HH22 ARG 23 7.936 -8.674 -9.970 211 H ARG 24 HN ARG 24 8.376 -0.493 -9.055 212 HA ARG 24 HA ARG 24 11.102 0.050 -9.864 213 1HB ARG 24 HB2 ARG 24 8.428 0.653 -11.149 214 2HB ARG 24 HB1 ARG 24 9.988 1.024 -11.884 215 1HG ARG 24 HG2 ARG 24 10.540 -1.279 -12.062 216 2HG ARG 24 HG1 ARG 24 9.159 -1.751 -11.066 217 1HD ARG 24 HD2 ARG 24 8.546 -2.194 -13.311 218 2HD ARG 24 HD1 ARG 24 7.685 -0.728 -12.844 219 HE ARG 24 HE ARG 24 10.205 -0.206 -14.129 220 1HH1 ARG 24 HH11 ARG 24 6.772 -0.791 -14.619 221 2HH1 ARG 24 HH12 ARG 24 6.778 -0.177 -16.245 222 1HH2 ARG 24 HH21 ARG 24 10.199 0.595 -16.286 223 2HH2 ARG 24 HH22 ARG 24 8.710 0.593 -17.192 224 H ALA 25 HN ALA 25 8.356 1.722 -8.545 225 HA ALA 25 HA ALA 25 9.245 4.373 -9.077 226 1HB ALA 25 HB1 ALA 25 7.290 3.337 -7.020 227 2HB ALA 25 HB2 ALA 25 6.901 3.916 -8.641 228 3HB ALA 25 HB3 ALA 25 7.531 5.034 -7.432 229 H LEU 26 HN LEU 26 9.566 2.108 -6.445 230 HA LEU 26 HA LEU 26 11.016 4.064 -4.851 231 1HB LEU 26 HB2 LEU 26 9.906 1.336 -4.261 232 2HB LEU 26 HB1 LEU 26 10.864 2.251 -3.106 233 HG LEU 26 HG LEU 26 8.282 3.259 -4.299 234 1HD1 LEU 26 HD11 LEU 26 7.858 1.224 -3.014 235 2HD1 LEU 26 HD12 LEU 26 7.238 2.648 -2.179 236 3HD1 LEU 26 HD13 LEU 26 8.741 1.899 -1.644 237 1HD2 LEU 26 HD21 LEU 26 8.370 4.831 -2.422 238 2HD2 LEU 26 HD22 LEU 26 9.786 4.987 -3.461 239 3HD2 LEU 26 HD23 LEU 26 9.915 4.143 -1.918 240 H ASP 27 HN ASP 27 11.563 0.615 -4.811 241 HA ASP 27 HA ASP 27 14.047 0.336 -5.948 242 1HB ASP 27 HB2 ASP 27 14.764 2.201 -4.461 243 2HB ASP 27 HB1 ASP 27 14.265 1.266 -3.058 244 H ILE 28 HN ILE 28 12.055 -1.326 -5.798 245 HA ILE 28 HA ILE 28 12.739 -3.240 -3.662 246 HB ILE 28 HB ILE 28 10.075 -2.820 -5.029 247 1HG1 ILE 28 HG12 ILE 28 9.334 -2.783 -2.563 248 2HG1 ILE 28 HG11 ILE 28 11.041 -2.592 -2.172 249 1HG2 ILE 28 HG21 ILE 28 9.272 -4.759 -3.742 250 2HG2 ILE 28 HG22 ILE 28 10.934 -5.098 -3.255 251 3HG2 ILE 28 HG23 ILE 28 10.475 -5.183 -4.959 252 1HD1 ILE 28 HD11 ILE 28 11.085 -0.538 -3.510 253 2HD1 ILE 28 HD12 ILE 28 9.923 -0.458 -2.187 254 3HD1 ILE 28 HD13 ILE 28 9.363 -0.729 -3.837 255 H ALA 29 HN ALA 29 13.456 -5.190 -4.254 256 HA ALA 29 HA ALA 29 13.689 -5.650 -7.139 257 1HB ALA 29 HB1 ALA 29 15.194 -6.969 -4.892 258 2HB ALA 29 HB2 ALA 29 15.770 -5.589 -5.826 259 3HB ALA 29 HB3 ALA 29 15.518 -7.146 -6.616 260 H ILE 30 HN ILE 30 13.137 -7.520 -4.193 261 HA ILE 30 HA ILE 30 11.156 -9.123 -5.619 262 HB ILE 30 HB ILE 30 13.338 -10.282 -5.912 263 1HG1 ILE 30 HG12 ILE 30 10.989 -11.428 -5.569 264 2HG1 ILE 30 HG11 ILE 30 12.451 -12.393 -5.709 265 1HG2 ILE 30 HG21 ILE 30 14.491 -9.676 -3.923 266 2HG2 ILE 30 HG22 ILE 30 14.334 -11.434 -3.941 267 3HG2 ILE 30 HG23 ILE 30 13.279 -10.462 -2.910 268 1HD1 ILE 30 HD11 ILE 30 11.034 -13.235 -3.945 269 2HD1 ILE 30 HD12 ILE 30 11.037 -11.659 -3.153 270 3HD1 ILE 30 HD13 ILE 30 12.529 -12.593 -3.265 271 H LYS 31 HN LYS 31 12.705 -8.112 -2.676 272 HA LYS 31 HA LYS 31 10.141 -8.411 -1.300 273 1HB LYS 31 HB2 LYS 31 12.835 -8.968 -0.032 274 2HB LYS 31 HB1 LYS 31 11.266 -9.080 0.758 275 1HG LYS 31 HG2 LYS 31 10.744 -10.841 -1.060 276 2HG LYS 31 HG1 LYS 31 12.493 -10.889 -1.281 277 1HD LYS 31 HD2 LYS 31 11.842 -12.623 0.257 278 2HD LYS 31 HD1 LYS 31 12.743 -11.382 1.132 279 1HE LYS 31 HE2 LYS 31 10.706 -10.449 2.013 280 2HE LYS 31 HE1 LYS 31 9.733 -11.533 1.017 281 1HZ LYS 31 HZ1 LYS 31 11.627 -12.509 3.077 282 2HZ LYS 31 HZ2 LYS 31 10.407 -13.384 2.285 283 3HZ LYS 31 HZ3 LYS 31 9.996 -12.180 3.410 284 H ASP 32 HN ASP 32 13.389 -7.032 -1.136 285 HA ASP 32 HA ASP 32 14.188 -5.229 0.006 286 1HB ASP 32 HB2 ASP 32 12.433 -4.446 -2.213 287 2HB ASP 32 HB1 ASP 32 12.923 -3.131 -1.123 288 H SER 33 HN SER 33 11.785 -2.913 -0.048 289 HA SER 33 HA SER 33 10.627 -3.544 2.528 290 1HB SER 33 HB2 SER 33 12.623 -1.257 2.406 291 2HB SER 33 HB1 SER 33 11.703 -1.793 3.811 292 HG SER 33 HG SER 33 12.977 -3.914 2.985 293 H ILE 34 HN ILE 34 8.742 -2.442 2.784 294 HA ILE 34 HA ILE 34 8.449 0.188 1.507 295 HB ILE 34 HB ILE 34 6.193 -1.813 1.383 296 1HG1 ILE 34 HG12 ILE 34 6.788 -1.711 -1.179 297 2HG1 ILE 34 HG11 ILE 34 8.405 -1.345 -0.588 298 1HG2 ILE 34 HG21 ILE 34 5.300 -0.231 -0.268 299 2HG2 ILE 34 HG22 ILE 34 6.704 0.806 -0.012 300 3HG2 ILE 34 HG23 ILE 34 5.569 0.520 1.304 301 1HD1 ILE 34 HD11 ILE 34 8.161 -3.708 -1.049 302 2HD1 ILE 34 HD12 ILE 34 6.796 -3.802 0.064 303 3HD1 ILE 34 HD13 ILE 34 8.410 -3.435 0.676 304 H GLU 35 HN GLU 35 8.171 1.466 3.227 305 HA GLU 35 HA GLU 35 6.488 0.572 5.465 306 1HB GLU 35 HB2 GLU 35 8.709 1.419 6.065 307 2HB GLU 35 HB1 GLU 35 8.379 2.925 5.222 308 1HG GLU 35 HG2 GLU 35 6.523 3.348 6.817 309 2HG GLU 35 HG1 GLU 35 7.010 1.904 7.701 310 H PHE 36 HN PHE 36 4.630 1.697 6.059 311 HA PHE 36 HA PHE 36 3.814 3.741 4.117 312 1HB PHE 36 HB2 PHE 36 1.421 2.669 5.009 313 2HB PHE 36 HB1 PHE 36 2.180 2.402 3.447 314 HD1 PHE 36 HD1 PHE 36 3.831 0.435 3.283 315 HD2 PHE 36 HD2 PHE 36 0.982 0.902 6.406 316 HE1 PHE 36 HE1 PHE 36 3.939 -1.978 3.740 317 HE2 PHE 36 HE2 PHE 36 1.093 -1.505 6.871 318 HZ PHE 36 HZ PHE 36 2.568 -2.947 5.538 319 H PHE 37 HN PHE 37 2.261 5.216 4.683 320 HA PHE 37 HA PHE 37 2.232 6.087 7.524 321 1HB PHE 37 HB2 PHE 37 3.754 7.424 6.071 322 2HB PHE 37 HB1 PHE 37 2.450 7.680 4.930 323 HD1 PHE 37 HD1 PHE 37 4.274 9.063 7.558 324 HD2 PHE 37 HD2 PHE 37 0.334 8.918 5.952 325 HE1 PHE 37 HE1 PHE 37 3.752 11.207 8.646 326 HE2 PHE 37 HE2 PHE 37 -0.195 11.055 7.048 327 HZ PHE 37 HZ PHE 37 1.514 12.205 8.389 328 H VAL 38 HN VAL 38 0.166 6.860 8.186 329 HA VAL 38 HA VAL 38 -1.895 6.596 6.103 330 HB VAL 38 HB VAL 38 -2.182 4.841 7.743 331 1HG1 VAL 38 HG11 VAL 38 -2.781 5.307 10.064 332 2HG1 VAL 38 HG12 VAL 38 -2.521 7.031 9.788 333 3HG1 VAL 38 HG13 VAL 38 -1.165 5.908 9.688 334 1HG2 VAL 38 HG21 VAL 38 -4.195 5.465 6.775 335 2HG2 VAL 38 HG22 VAL 38 -4.230 7.019 7.603 336 3HG2 VAL 38 HG23 VAL 38 -4.561 5.531 8.500 337 H ASP 39 HN ASP 39 -3.200 8.220 5.748 338 HA ASP 39 HA ASP 39 -2.915 10.632 7.402 339 1HB ASP 39 HB2 ASP 39 -1.322 10.710 5.485 340 2HB ASP 39 HB1 ASP 39 -2.687 10.559 4.388 341 H GLY 40 HN GLY 40 -4.954 10.811 8.130 342 1HA GLY 40 HA2 GLY 40 -7.227 11.177 8.084 343 2HA GLY 40 HA1 GLY 40 -7.100 11.398 6.343 344 H ASP 41 HN ASP 41 -7.454 9.685 4.979 345 HA ASP 41 HA ASP 41 -8.355 7.162 6.224 346 1HB ASP 41 HB2 ASP 41 -9.312 8.203 3.553 347 2HB ASP 41 HB1 ASP 41 -10.002 6.900 4.513 348 H LYS 42 HN LYS 42 -5.995 8.600 4.425 349 HA LYS 42 HA LYS 42 -5.852 6.551 2.351 350 1HB LYS 42 HB2 LYS 42 -5.521 8.368 1.084 351 2HB LYS 42 HB1 LYS 42 -5.331 9.391 2.499 352 1HG LYS 42 HG2 LYS 42 -2.963 8.700 2.631 353 2HG LYS 42 HG1 LYS 42 -3.184 7.785 1.134 354 1HD LYS 42 HD2 LYS 42 -2.185 9.983 0.704 355 2HD LYS 42 HD1 LYS 42 -3.781 9.853 -0.036 356 1HE LYS 42 HE2 LYS 42 -4.751 11.079 1.848 357 2HE LYS 42 HE1 LYS 42 -3.159 11.201 2.590 358 1HZ LYS 42 HZ1 LYS 42 -2.413 12.525 0.716 359 2HZ LYS 42 HZ2 LYS 42 -3.776 13.228 1.438 360 3HZ LYS 42 HZ3 LYS 42 -3.936 12.388 -0.023 361 H ILE 43 HN ILE 43 -3.790 5.657 1.772 362 HA ILE 43 HA ILE 43 -1.922 5.505 4.059 363 HB ILE 43 HB ILE 43 -2.499 3.388 1.961 364 1HG1 ILE 43 HG12 ILE 43 -4.252 3.811 3.799 365 2HG1 ILE 43 HG11 ILE 43 -3.688 2.159 3.576 366 1HG2 ILE 43 HG21 ILE 43 -1.037 1.934 3.233 367 2HG2 ILE 43 HG22 ILE 43 -0.732 3.224 4.397 368 3HG2 ILE 43 HG23 ILE 43 -0.168 3.387 2.733 369 1HD1 ILE 43 HD11 ILE 43 -3.889 2.753 5.934 370 2HD1 ILE 43 HD12 ILE 43 -2.725 4.059 5.707 371 3HD1 ILE 43 HD13 ILE 43 -2.220 2.379 5.496 372 H ILE 44 HN ILE 44 0.300 5.569 3.562 373 HA ILE 44 HA ILE 44 0.973 6.495 0.841 374 HB ILE 44 HB ILE 44 2.004 7.713 3.410 375 1HG1 ILE 44 HG12 ILE 44 0.035 8.925 1.458 376 2HG1 ILE 44 HG11 ILE 44 -0.450 8.116 2.946 377 1HG2 ILE 44 HG21 ILE 44 3.573 7.884 1.577 378 2HG2 ILE 44 HG22 ILE 44 2.877 9.468 1.919 379 3HG2 ILE 44 HG23 ILE 44 2.317 8.539 0.528 380 1HD1 ILE 44 HD11 ILE 44 0.710 9.758 4.264 381 2HD1 ILE 44 HD12 ILE 44 -0.399 10.559 3.150 382 3HD1 ILE 44 HD13 ILE 44 1.331 10.535 2.807 383 H LEU 45 HN LEU 45 2.392 5.043 0.046 384 HA LEU 45 HA LEU 45 4.118 3.580 1.915 385 1HB LEU 45 HB2 LEU 45 3.085 3.016 -0.831 386 2HB LEU 45 HB1 LEU 45 4.544 2.217 -0.283 387 HG LEU 45 HG LEU 45 3.253 1.306 1.651 388 1HD1 LEU 45 HD11 LEU 45 0.891 2.434 0.167 389 2HD1 LEU 45 HD12 LEU 45 1.476 2.950 1.750 390 3HD1 LEU 45 HD13 LEU 45 0.818 1.326 1.539 391 1HD2 LEU 45 HD21 LEU 45 2.054 -0.376 0.341 392 2HD2 LEU 45 HD22 LEU 45 3.651 -0.039 -0.327 393 3HD2 LEU 45 HD23 LEU 45 2.213 0.634 -1.095 394 H LYS 46 HN LYS 46 6.299 3.535 1.812 395 HA LYS 46 HA LYS 46 7.714 4.553 -0.519 396 1HB LYS 46 HB2 LYS 46 8.993 6.187 0.572 397 2HB LYS 46 HB1 LYS 46 7.375 6.473 1.201 398 1HG LYS 46 HG2 LYS 46 7.908 5.333 3.247 399 2HG LYS 46 HG1 LYS 46 9.478 4.843 2.612 400 1HD LYS 46 HD2 LYS 46 10.043 7.277 2.402 401 2HD LYS 46 HD1 LYS 46 8.550 7.627 3.277 402 1HE LYS 46 HE2 LYS 46 10.278 7.625 4.898 403 2HE LYS 46 HE1 LYS 46 9.405 6.107 5.098 404 1HZ LYS 46 HZ1 LYS 46 11.766 5.726 5.192 405 2HZ LYS 46 HZ2 LYS 46 11.999 6.463 3.689 406 3HZ LYS 46 HZ3 LYS 46 11.145 5.006 3.793 407 H LYS 47 HN LYS 47 9.942 3.878 -0.512 408 HA LYS 47 HA LYS 47 10.432 1.370 0.769 409 1HB LYS 47 HB2 LYS 47 11.393 2.435 -1.465 410 2HB LYS 47 HB1 LYS 47 12.643 3.035 -0.391 411 1HG LYS 47 HG2 LYS 47 11.934 0.121 -0.510 412 2HG LYS 47 HG1 LYS 47 13.068 0.849 -1.645 413 1HD LYS 47 HD2 LYS 47 14.503 1.531 0.188 414 2HD LYS 47 HD1 LYS 47 13.344 0.902 1.360 415 1HE LYS 47 HE2 LYS 47 15.137 -0.682 1.097 416 2HE LYS 47 HE1 LYS 47 13.665 -1.356 0.407 417 1HZ LYS 47 HZ1 LYS 47 14.467 -0.740 -1.795 418 2HZ LYS 47 HZ2 LYS 47 15.555 -1.770 -1.017 419 3HZ LYS 47 HZ3 LYS 47 15.890 -0.115 -1.128 420 H TYR 48 HN TYR 48 12.049 0.946 2.431 421 HA TYR 48 HA TYR 48 11.792 2.782 4.583 422 1HB TYR 48 HB2 TYR 48 11.919 0.373 4.954 423 2HB TYR 48 HB1 TYR 48 13.539 0.332 4.264 424 HD1 TYR 48 HD1 TYR 48 15.429 0.730 5.600 425 HD2 TYR 48 HD2 TYR 48 11.562 1.617 7.134 426 HE1 TYR 48 HE1 TYR 48 16.403 1.076 7.828 427 HE2 TYR 48 HE2 TYR 48 12.525 1.968 9.372 428 HH TYR 48 HH TYR 48 15.869 2.280 9.902 429 H LYS 49 HN LYS 49 14.619 1.648 2.797 430 HA LYS 49 HA LYS 49 16.639 3.094 3.856 431 1HB LYS 49 HB2 LYS 49 16.859 1.384 2.115 432 2HB LYS 49 HB1 LYS 49 16.210 2.504 0.931 433 1HG LYS 49 HG2 LYS 49 18.576 2.410 0.675 434 2HG LYS 49 HG1 LYS 49 18.144 3.990 1.329 435 1HD LYS 49 HD2 LYS 49 18.870 3.370 3.511 436 2HD LYS 49 HD1 LYS 49 19.053 1.680 3.033 437 1HE LYS 49 HE2 LYS 49 20.668 4.019 2.038 438 2HE LYS 49 HE1 LYS 49 21.219 2.749 3.133 439 1HZ LYS 49 HZ1 LYS 49 20.412 2.403 0.297 440 2HZ LYS 49 HZ2 LYS 49 20.814 1.135 1.340 441 3HZ LYS 49 HZ3 LYS 49 21.983 2.291 0.919 442 HA PRO 50 HA PRO 50 16.042 6.867 0.781 443 1HB PRO 50 HB2 PRO 50 13.126 6.602 0.241 444 2HB PRO 50 HB1 PRO 50 14.427 7.143 -0.827 445 1HG PRO 50 HG2 PRO 50 13.365 4.728 -1.127 446 2HG PRO 50 HG1 PRO 50 15.112 4.981 -1.309 447 1HD PRO 50 HD2 PRO 50 13.596 3.811 0.989 448 2HD PRO 50 HD1 PRO 50 15.153 3.316 0.296 449 H HIS 51 HN HIS 51 16.118 8.512 2.121 450 HA HIS 51 HA HIS 51 14.314 8.701 4.374 451 1HB HIS 51 HB2 HIS 51 16.769 9.196 4.535 452 2HB HIS 51 HB1 HIS 51 16.498 10.620 3.538 453 HD1 HIS 51 HD1 HIS 51 16.305 9.378 6.982 454 HD2 HIS 51 HD2 HIS 51 14.918 12.663 4.835 455 HE1 HIS 51 HE1 HIS 51 15.607 11.077 8.709 456 HE2 HIS 51 HE2 HIS 51 14.924 13.111 7.384 457 H GLY 52 HN GLY 52 12.319 9.300 3.748 458 1HA GLY 52 HA2 GLY 52 12.087 11.706 2.059 459 2HA GLY 52 HA1 GLY 52 10.840 10.476 2.225 460 H VAL 53 HN VAL 53 9.165 11.141 3.380 461 HA VAL 53 HA VAL 53 9.712 12.884 5.684 462 HB VAL 53 HB VAL 53 8.469 14.090 3.948 463 1HG1 VAL 53 HG11 VAL 53 6.145 13.468 3.420 464 2HG1 VAL 53 HG12 VAL 53 6.360 11.968 4.323 465 3HG1 VAL 53 HG13 VAL 53 7.310 12.263 2.865 466 1HG2 VAL 53 HG21 VAL 53 8.090 14.792 6.180 467 2HG2 VAL 53 HG22 VAL 53 6.978 13.457 6.481 468 3HG2 VAL 53 HG23 VAL 53 6.516 14.760 5.382 469 H CYS 54 HN CYS 54 8.832 12.370 7.604 470 HA CYS 54 HA CYS 54 6.901 10.272 7.918 471 1HB CYS 54 HB2 CYS 54 8.522 8.945 9.413 472 2HB CYS 54 HB1 CYS 54 8.681 8.760 7.670 473 HG CYS 54 HG CYS 54 10.658 10.885 9.483 474 1H MET 1 HT1 MET 1 8.206 4.062 12.222 475 2H MET 1 HT2 MET 1 9.799 3.708 11.772 476 3H MET 1 HT3 MET 1 8.629 3.985 10.577 477 HA MET 1 HA MET 1 9.640 5.974 12.532 478 1HB MET 1 HB2 MET 1 10.036 5.692 9.545 479 2HB MET 1 HB1 MET 1 10.504 7.110 10.474 480 1HG MET 1 HG2 MET 1 12.064 5.775 11.766 481 2HG MET 1 HG1 MET 1 11.570 4.326 10.893 482 1HE MET 1 HE1 MET 1 14.603 5.448 11.249 483 2HE MET 1 HE2 MET 1 15.237 5.078 9.646 484 3HE MET 1 HE3 MET 1 14.194 3.918 10.470 485 H LYS 2 HN LYS 2 7.308 5.101 10.083 486 HA LYS 2 HA LYS 2 6.238 7.782 9.898 487 1HB LYS 2 HB2 LYS 2 5.329 5.184 8.637 488 2HB LYS 2 HB1 LYS 2 4.698 6.789 8.248 489 1HG LYS 2 HG2 LYS 2 7.384 7.141 7.963 490 2HG LYS 2 HG1 LYS 2 7.163 5.484 7.403 491 1HD LYS 2 HD2 LYS 2 5.138 7.316 6.380 492 2HD LYS 2 HD1 LYS 2 6.778 7.758 5.899 493 1HE LYS 2 HE2 LYS 2 7.134 5.518 5.023 494 2HE LYS 2 HE1 LYS 2 5.517 5.045 5.541 495 1HZ LYS 2 HZ1 LYS 2 6.127 7.161 3.536 496 2HZ LYS 2 HZ2 LYS 2 4.583 6.647 4.013 497 3HZ LYS 2 HZ3 LYS 2 5.602 5.588 3.183 498 H SER 3 HN SER 3 3.662 7.666 9.671 499 HA SER 3 HA SER 3 2.483 7.702 12.129 500 1HB SER 3 HB2 SER 3 1.228 7.016 9.463 501 2HB SER 3 HB1 SER 3 0.325 7.502 10.907 502 HG SER 3 HG SER 3 1.910 9.406 10.779 503 H ILE 4 HN ILE 4 2.235 5.044 9.795 504 HA ILE 4 HA ILE 4 1.281 3.247 11.853 505 HB ILE 4 HB ILE 4 2.218 2.274 9.171 506 1HG1 ILE 4 HG12 ILE 4 -0.442 3.651 9.646 507 2HG1 ILE 4 HG11 ILE 4 0.878 4.310 8.687 508 1HG2 ILE 4 HG21 ILE 4 1.437 0.669 10.824 509 2HG2 ILE 4 HG22 ILE 4 0.317 0.739 9.463 510 3HG2 ILE 4 HG23 ILE 4 -0.085 1.543 10.980 511 1HD1 ILE 4 HD11 ILE 4 -0.660 1.801 8.076 512 2HD1 ILE 4 HD12 ILE 4 0.669 2.459 7.120 513 3HD1 ILE 4 HD13 ILE 4 -0.839 3.362 7.273 514 H GLY 5 HN GLY 5 4.140 3.991 10.008 515 1HA GLY 5 HA2 GLY 5 6.361 3.688 10.425 516 2HA GLY 5 HA1 GLY 5 5.902 3.306 12.086 517 H VAL 6 HN VAL 6 4.701 1.535 9.357 518 HA VAL 6 HA VAL 6 6.276 -0.769 10.289 519 HB VAL 6 HB VAL 6 4.417 -2.231 9.511 520 1HG1 VAL 6 HG11 VAL 6 2.893 -1.753 11.397 521 2HG1 VAL 6 HG12 VAL 6 3.732 -0.219 11.646 522 3HG1 VAL 6 HG13 VAL 6 4.596 -1.744 11.860 523 1HG2 VAL 6 HG21 VAL 6 3.386 -0.678 7.937 524 2HG2 VAL 6 HG22 VAL 6 2.887 0.349 9.281 525 3HG2 VAL 6 HG23 VAL 6 2.218 -1.275 9.115 526 H VAL 7 HN VAL 7 7.385 -1.889 8.841 527 HA VAL 7 HA VAL 7 7.185 -1.003 6.044 528 HB VAL 7 HB VAL 7 9.291 -0.323 7.117 529 1HG1 VAL 7 HG11 VAL 7 10.963 -2.004 7.750 530 2HG1 VAL 7 HG12 VAL 7 9.766 -3.275 7.495 531 3HG1 VAL 7 HG13 VAL 7 9.522 -2.076 8.765 532 1HG2 VAL 7 HG21 VAL 7 10.844 -1.499 5.463 533 2HG2 VAL 7 HG22 VAL 7 9.479 -0.596 4.812 534 3HG2 VAL 7 HG23 VAL 7 9.398 -2.356 4.912 535 H ARG 8 HN ARG 8 7.184 -2.523 4.447 536 HA ARG 8 HA ARG 8 6.754 -5.285 5.375 537 1HB ARG 8 HB2 ARG 8 5.250 -3.557 3.524 538 2HB ARG 8 HB1 ARG 8 5.516 -5.198 2.950 539 1HG ARG 8 HG2 ARG 8 3.372 -4.811 4.187 540 2HG ARG 8 HG1 ARG 8 4.376 -6.130 4.796 541 1HD ARG 8 HD2 ARG 8 5.174 -4.782 6.608 542 2HD ARG 8 HD1 ARG 8 4.395 -3.347 5.945 543 HE ARG 8 HE ARG 8 2.299 -4.958 6.314 544 1HH1 ARG 8 HH11 ARG 8 4.984 -4.193 8.429 545 2HH1 ARG 8 HH12 ARG 8 4.057 -4.363 9.888 546 1HH2 ARG 8 HH21 ARG 8 1.068 -5.160 8.227 547 2HH2 ARG 8 HH22 ARG 8 1.809 -4.878 9.774 548 H LYS 9 HN LYS 9 7.313 -6.958 3.913 549 HA LYS 9 HA LYS 9 9.457 -6.224 2.042 550 1HB LYS 9 HB2 LYS 9 9.298 -8.335 4.138 551 2HB LYS 9 HB1 LYS 9 10.055 -8.789 2.618 552 1HG LYS 9 HG2 LYS 9 11.638 -8.024 4.370 553 2HG LYS 9 HG1 LYS 9 11.735 -7.129 2.858 554 1HD LYS 9 HD2 LYS 9 11.891 -5.540 4.609 555 2HD LYS 9 HD1 LYS 9 10.274 -5.367 3.924 556 1HE LYS 9 HE2 LYS 9 9.990 -5.291 6.265 557 2HE LYS 9 HE1 LYS 9 9.498 -6.919 5.792 558 1HZ LYS 9 HZ1 LYS 9 12.166 -6.191 6.879 559 2HZ LYS 9 HZ2 LYS 9 11.630 -7.758 6.497 560 3HZ LYS 9 HZ3 LYS 9 10.915 -6.905 7.772 561 H VAL 10 HN VAL 10 8.943 -6.629 0.031 562 HA VAL 10 HA VAL 10 6.501 -7.672 -0.776 563 HB VAL 10 HB VAL 10 9.046 -7.016 -2.237 564 1HG1 VAL 10 HG11 VAL 10 7.982 -7.534 -4.365 565 2HG1 VAL 10 HG12 VAL 10 6.598 -8.225 -3.518 566 3HG1 VAL 10 HG13 VAL 10 8.183 -8.989 -3.390 567 1HG2 VAL 10 HG21 VAL 10 7.586 -5.379 -3.324 568 2HG2 VAL 10 HG22 VAL 10 7.577 -5.208 -1.569 569 3HG2 VAL 10 HG23 VAL 10 6.220 -5.982 -2.387 570 H ASP 11 HN ASP 11 5.805 -9.562 -1.496 571 HA ASP 11 HA ASP 11 6.947 -11.998 -0.747 572 1HB ASP 11 HB2 ASP 11 4.660 -12.121 -1.039 573 2HB ASP 11 HB1 ASP 11 4.681 -11.102 -2.469 574 H GLU 12 HN GLU 12 6.210 -11.351 -4.123 575 HA GLU 12 HA GLU 12 8.969 -11.518 -4.994 576 1HB GLU 12 HB2 GLU 12 6.954 -13.552 -6.003 577 2HB GLU 12 HB1 GLU 12 8.617 -13.382 -6.536 578 1HG GLU 12 HG2 GLU 12 9.331 -13.988 -4.223 579 2HG GLU 12 HG1 GLU 12 7.640 -14.338 -3.867 580 H LEU 13 HN LEU 13 5.553 -11.477 -5.726 581 HA LEU 13 HA LEU 13 5.848 -10.217 -8.308 582 1HB LEU 13 HB2 LEU 13 3.320 -10.363 -6.700 583 2HB LEU 13 HB1 LEU 13 3.511 -10.394 -8.443 584 HG LEU 13 HG LEU 13 4.368 -12.644 -6.627 585 1HD1 LEU 13 HD11 LEU 13 1.844 -12.388 -8.255 586 2HD1 LEU 13 HD12 LEU 13 1.945 -12.249 -6.497 587 3HD1 LEU 13 HD13 LEU 13 2.337 -13.781 -7.287 588 1HD2 LEU 13 HD21 LEU 13 4.425 -13.940 -8.686 589 2HD2 LEU 13 HD22 LEU 13 5.507 -12.551 -8.794 590 3HD2 LEU 13 HD23 LEU 13 3.943 -12.517 -9.610 591 H GLY 14 HN GLY 14 5.544 -9.255 -5.046 592 1HA GLY 14 HA2 GLY 14 5.944 -6.816 -4.639 593 2HA GLY 14 HA1 GLY 14 4.653 -6.550 -5.817 594 H ARG 15 HN ARG 15 3.762 -9.256 -4.330 595 HA ARG 15 HA ARG 15 1.660 -8.122 -2.867 596 1HB ARG 15 HB2 ARG 15 2.870 -10.883 -2.575 597 2HB ARG 15 HB1 ARG 15 1.285 -10.393 -1.997 598 1HG ARG 15 HG2 ARG 15 0.647 -9.937 -4.368 599 2HG ARG 15 HG1 ARG 15 2.188 -10.644 -4.862 600 1HD ARG 15 HD2 ARG 15 0.081 -12.057 -3.233 601 2HD ARG 15 HD1 ARG 15 0.306 -12.243 -4.972 602 HE ARG 15 HE ARG 15 2.750 -12.859 -4.003 603 1HH1 ARG 15 HH11 ARG 15 -0.472 -13.960 -3.119 604 2HH1 ARG 15 HH12 ARG 15 0.069 -15.553 -2.659 605 1HH2 ARG 15 HH21 ARG 15 3.452 -14.938 -3.378 606 2HH2 ARG 15 HH22 ARG 15 2.296 -16.104 -2.805 607 H ILE 16 HN ILE 16 1.594 -7.263 -0.879 608 HA ILE 16 HA ILE 16 3.508 -8.193 1.140 609 HB ILE 16 HB ILE 16 4.228 -6.115 1.851 610 1HG1 ILE 16 HG12 ILE 16 1.814 -4.955 0.464 611 2HG1 ILE 16 HG11 ILE 16 2.193 -4.978 2.193 612 1HG2 ILE 16 HG21 ILE 16 4.999 -4.827 -0.080 613 2HG2 ILE 16 HG22 ILE 16 3.892 -5.729 -1.116 614 3HG2 ILE 16 HG23 ILE 16 5.219 -6.563 -0.306 615 1HD1 ILE 16 HD11 ILE 16 2.496 -2.758 1.306 616 2HD1 ILE 16 HD12 ILE 16 3.598 -3.365 0.069 617 3HD1 ILE 16 HD13 ILE 16 4.058 -3.431 1.772 618 H VAL 17 HN VAL 17 2.693 -6.945 3.334 619 HA VAL 17 HA VAL 17 -0.158 -7.623 3.416 620 HB VAL 17 HB VAL 17 0.970 -9.161 4.814 621 1HG1 VAL 17 HG11 VAL 17 3.109 -8.074 5.033 622 2HG1 VAL 17 HG12 VAL 17 2.490 -8.483 6.634 623 3HG1 VAL 17 HG13 VAL 17 2.402 -6.821 6.052 624 1HG2 VAL 17 HG21 VAL 17 -1.060 -8.308 5.802 625 2HG2 VAL 17 HG22 VAL 17 -0.179 -6.962 6.531 626 3HG2 VAL 17 HG23 VAL 17 0.127 -8.615 7.070 627 H MET 18 HN MET 18 -1.393 -5.891 3.395 628 HA MET 18 HA MET 18 -0.559 -3.377 4.536 629 1HB MET 18 HB2 MET 18 -3.146 -4.365 3.360 630 2HB MET 18 HB1 MET 18 -3.069 -2.829 4.212 631 1HG MET 18 HG2 MET 18 -1.326 -3.507 1.861 632 2HG MET 18 HG1 MET 18 -2.883 -2.696 1.723 633 1HE MET 18 HE1 MET 18 0.828 -2.310 3.232 634 2HE MET 18 HE2 MET 18 1.074 -0.783 2.377 635 3HE MET 18 HE3 MET 18 0.588 -2.227 1.486 636 HA PRO 19 HA PRO 19 -1.948 -4.238 8.568 637 1HB PRO 19 HB2 PRO 19 -2.207 -1.738 9.573 638 2HB PRO 19 HB1 PRO 19 -0.645 -2.471 9.199 639 1HG PRO 19 HG2 PRO 19 -2.090 -0.334 7.798 640 2HG PRO 19 HG1 PRO 19 -0.369 -0.750 7.756 641 1HD PRO 19 HD2 PRO 19 -2.391 -1.384 5.823 642 2HD PRO 19 HD1 PRO 19 -0.668 -1.808 5.790 643 H ILE 20 HN ILE 20 -3.684 -4.316 9.991 644 HA ILE 20 HA ILE 20 -6.287 -4.025 9.040 645 HB ILE 20 HB ILE 20 -5.951 -5.406 10.946 646 1HG1 ILE 20 HG12 ILE 20 -7.544 -4.447 12.615 647 2HG1 ILE 20 HG11 ILE 20 -7.445 -2.907 11.762 648 1HG2 ILE 20 HG21 ILE 20 -4.810 -2.968 12.281 649 2HG2 ILE 20 HG22 ILE 20 -3.988 -4.483 11.902 650 3HG2 ILE 20 HG23 ILE 20 -5.239 -4.444 13.146 651 1HD1 ILE 20 HD11 ILE 20 -8.386 -3.903 9.790 652 2HD1 ILE 20 HD12 ILE 20 -9.448 -4.165 11.177 653 3HD1 ILE 20 HD13 ILE 20 -8.437 -5.481 10.576 654 H GLU 21 HN GLU 21 -4.100 -1.770 10.514 655 HA GLU 21 HA GLU 21 -5.824 0.333 11.143 656 1HB GLU 21 HB2 GLU 21 -3.054 0.678 9.991 657 2HB GLU 21 HB1 GLU 21 -3.881 1.715 11.147 658 1HG GLU 21 HG2 GLU 21 -2.975 -1.104 11.676 659 2HG GLU 21 HG1 GLU 21 -2.117 0.354 12.181 660 H LEU 22 HN LEU 22 -4.616 -0.794 8.058 661 HA LEU 22 HA LEU 22 -5.493 1.539 6.607 662 1HB LEU 22 HB2 LEU 22 -3.862 0.590 5.334 663 2HB LEU 22 HB1 LEU 22 -4.167 -1.018 5.960 664 HG LEU 22 HG LEU 22 -6.253 0.035 4.150 665 1HD1 LEU 22 HD11 LEU 22 -4.967 -0.411 2.138 666 2HD1 LEU 22 HD12 LEU 22 -3.528 -0.719 3.110 667 3HD1 LEU 22 HD13 LEU 22 -4.233 0.897 3.068 668 1HD2 LEU 22 HD21 LEU 22 -6.226 -2.267 5.102 669 2HD2 LEU 22 HD22 LEU 22 -4.735 -2.576 4.205 670 3HD2 LEU 22 HD23 LEU 22 -6.231 -2.235 3.336 671 H ARG 23 HN ARG 23 -6.564 -1.732 7.231 672 HA ARG 23 HA ARG 23 -8.945 -1.612 5.726 673 1HB ARG 23 HB2 ARG 23 -8.375 -3.226 8.225 674 2HB ARG 23 HB1 ARG 23 -9.722 -3.492 7.123 675 1HG ARG 23 HG2 ARG 23 -7.999 -3.837 5.309 676 2HG ARG 23 HG1 ARG 23 -6.797 -3.896 6.596 677 1HD ARG 23 HD2 ARG 23 -9.231 -5.632 6.746 678 2HD ARG 23 HD1 ARG 23 -7.898 -6.095 5.690 679 HE ARG 23 HE ARG 23 -6.530 -5.849 7.861 680 1HH1 ARG 23 HH11 ARG 23 -9.850 -6.964 7.720 681 2HH1 ARG 23 HH12 ARG 23 -9.665 -8.067 9.043 682 1HH2 ARG 23 HH21 ARG 23 -6.295 -7.318 9.609 683 2HH2 ARG 23 HH22 ARG 23 -7.655 -8.266 10.118 684 H ARG 24 HN ARG 24 -8.080 -0.402 8.827 685 HA ARG 24 HA ARG 24 -10.774 0.220 9.684 686 1HB ARG 24 HB2 ARG 24 -8.031 0.830 10.814 687 2HB ARG 24 HB1 ARG 24 -9.524 1.386 11.564 688 1HG ARG 24 HG2 ARG 24 -10.211 -0.835 12.032 689 2HG ARG 24 HG1 ARG 24 -8.922 -1.506 11.030 690 1HD ARG 24 HD2 ARG 24 -8.347 -1.710 13.376 691 2HD ARG 24 HD1 ARG 24 -7.254 -0.583 12.575 692 HE ARG 24 HE ARG 24 -9.487 0.731 13.811 693 1HH1 ARG 24 HH11 ARG 24 -6.277 -0.594 14.369 694 2HH1 ARG 24 HH12 ARG 24 -5.996 0.360 15.795 695 1HH2 ARG 24 HH21 ARG 24 -9.093 2.000 15.689 696 2HH2 ARG 24 HH22 ARG 24 -7.580 1.833 16.536 697 H ALA 25 HN ALA 25 -7.993 1.793 8.305 698 HA ALA 25 HA ALA 25 -8.713 4.486 8.510 699 1HB ALA 25 HB1 ALA 25 -7.180 3.049 6.334 700 2HB ALA 25 HB2 ALA 25 -6.499 3.777 7.796 701 3HB ALA 25 HB3 ALA 25 -7.228 4.802 6.560 702 H LEU 26 HN LEU 26 -9.256 2.124 5.953 703 HA LEU 26 HA LEU 26 -11.012 3.975 4.561 704 1HB LEU 26 HB2 LEU 26 -9.962 1.271 3.757 705 2HB LEU 26 HB1 LEU 26 -10.901 2.346 2.733 706 HG LEU 26 HG LEU 26 -8.242 3.144 3.897 707 1HD1 LEU 26 HD11 LEU 26 -8.787 1.890 1.208 708 2HD1 LEU 26 HD12 LEU 26 -7.915 1.138 2.545 709 3HD1 LEU 26 HD13 LEU 26 -7.246 2.561 1.746 710 1HD2 LEU 26 HD21 LEU 26 -8.301 4.790 2.090 711 2HD2 LEU 26 HD22 LEU 26 -9.713 4.948 3.133 712 3HD2 LEU 26 HD23 LEU 26 -9.862 4.164 1.561 713 H ASP 27 HN ASP 27 -11.593 0.621 4.095 714 HA ASP 27 HA ASP 27 -13.883 0.528 5.876 715 1HB ASP 27 HB2 ASP 27 -14.172 0.688 2.881 716 2HB ASP 27 HB1 ASP 27 -15.381 -0.106 3.879 717 H ILE 28 HN ILE 28 -11.362 -1.067 5.220 718 HA ILE 28 HA ILE 28 -12.306 -3.212 3.528 719 HB ILE 28 HB ILE 28 -9.643 -2.938 4.944 720 1HG1 ILE 28 HG12 ILE 28 -8.708 -2.474 2.752 721 2HG1 ILE 28 HG11 ILE 28 -10.272 -2.733 1.974 722 1HG2 ILE 28 HG21 ILE 28 -8.958 -4.806 3.443 723 2HG2 ILE 28 HG22 ILE 28 -10.650 -5.010 2.999 724 3HG2 ILE 28 HG23 ILE 28 -10.138 -5.264 4.667 725 1HD1 ILE 28 HD11 ILE 28 -11.123 -0.764 3.164 726 2HD1 ILE 28 HD12 ILE 28 -9.773 -0.397 2.080 727 3HD1 ILE 28 HD13 ILE 28 -9.505 -0.496 3.826 728 H ALA 29 HN ALA 29 -13.045 -5.118 4.111 729 HA ALA 29 HA ALA 29 -13.337 -5.558 6.989 730 1HB ALA 29 HB1 ALA 29 -14.879 -6.757 4.704 731 2HB ALA 29 HB2 ALA 29 -15.378 -5.354 5.645 732 3HB ALA 29 HB3 ALA 29 -15.245 -6.935 6.423 733 H ILE 30 HN ILE 30 -12.873 -7.436 4.028 734 HA ILE 30 HA ILE 30 -10.900 -9.084 5.421 735 HB ILE 30 HB ILE 30 -13.073 -10.233 5.700 736 1HG1 ILE 30 HG12 ILE 30 -10.759 -11.410 5.232 737 2HG1 ILE 30 HG11 ILE 30 -12.239 -12.347 5.378 738 1HG2 ILE 30 HG21 ILE 30 -14.246 -9.495 3.760 739 2HG2 ILE 30 HG22 ILE 30 -14.160 -11.257 3.718 740 3HG2 ILE 30 HG23 ILE 30 -13.092 -10.294 2.694 741 1HD1 ILE 30 HD11 ILE 30 -10.853 -13.114 3.534 742 2HD1 ILE 30 HD12 ILE 30 -10.937 -11.515 2.793 743 3HD1 ILE 30 HD13 ILE 30 -12.398 -12.491 2.955 744 H LYS 31 HN LYS 31 -12.440 -8.012 2.492 745 HA LYS 31 HA LYS 31 -9.894 -8.351 1.084 746 1HB LYS 31 HB2 LYS 31 -12.598 -8.785 -0.203 747 2HB LYS 31 HB1 LYS 31 -11.022 -8.993 -0.954 748 1HG LYS 31 HG2 LYS 31 -10.616 -10.784 0.825 749 2HG LYS 31 HG1 LYS 31 -12.356 -10.709 1.105 750 1HD LYS 31 HD2 LYS 31 -11.855 -12.490 -0.454 751 2HD LYS 31 HD1 LYS 31 -12.725 -11.201 -1.288 752 1HE LYS 31 HE2 LYS 31 -10.644 -10.350 -2.196 753 2HE LYS 31 HE1 LYS 31 -9.733 -11.567 -1.303 754 1HZ LYS 31 HZ1 LYS 31 -11.771 -12.203 -3.366 755 2HZ LYS 31 HZ2 LYS 31 -10.703 -13.284 -2.611 756 3HZ LYS 31 HZ3 LYS 31 -10.105 -12.105 -3.674 757 H ASP 32 HN ASP 32 -13.096 -6.891 1.006 758 HA ASP 32 HA ASP 32 -13.896 -5.019 0.010 759 1HB ASP 32 HB2 ASP 32 -12.024 -4.384 2.126 760 2HB ASP 32 HB1 ASP 32 -12.219 -3.042 0.988 761 H SER 33 HN SER 33 -11.249 -2.951 -0.083 762 HA SER 33 HA SER 33 -10.392 -3.483 -2.775 763 1HB SER 33 HB2 SER 33 -12.336 -1.187 -2.341 764 2HB SER 33 HB1 SER 33 -11.475 -1.549 -3.839 765 HG SER 33 HG SER 33 -12.769 -3.746 -3.070 766 H ILE 34 HN ILE 34 -8.439 -2.488 -3.038 767 HA ILE 34 HA ILE 34 -8.026 0.135 -1.775 768 HB ILE 34 HB ILE 34 -5.866 -1.979 -1.711 769 1HG1 ILE 34 HG12 ILE 34 -6.287 -1.708 0.867 770 2HG1 ILE 34 HG11 ILE 34 -7.907 -1.243 0.359 771 1HG2 ILE 34 HG21 ILE 34 -6.102 0.738 -0.435 772 2HG2 ILE 34 HG22 ILE 34 -5.061 0.300 -1.790 773 3HG2 ILE 34 HG23 ILE 34 -4.767 -0.388 -0.193 774 1HD1 ILE 34 HD11 ILE 34 -7.829 -3.588 0.909 775 2HD1 ILE 34 HD12 ILE 34 -6.527 -3.844 -0.255 776 3HD1 ILE 34 HD13 ILE 34 -8.133 -3.378 -0.816 777 H GLU 35 HN GLU 35 -7.839 1.371 -3.538 778 HA GLU 35 HA GLU 35 -6.250 0.471 -5.829 779 1HB GLU 35 HB2 GLU 35 -8.457 1.417 -6.323 780 2HB GLU 35 HB1 GLU 35 -8.042 2.888 -5.455 781 1HG GLU 35 HG2 GLU 35 -6.205 3.239 -7.127 782 2HG GLU 35 HG1 GLU 35 -6.882 1.895 -8.045 783 H PHE 36 HN PHE 36 -4.361 1.543 -6.476 784 HA PHE 36 HA PHE 36 -3.385 3.495 -4.485 785 1HB PHE 36 HB2 PHE 36 -1.276 2.275 -6.073 786 2HB PHE 36 HB1 PHE 36 -1.397 2.510 -4.340 787 HD1 PHE 36 HD1 PHE 36 -3.129 0.900 -3.151 788 HD2 PHE 36 HD2 PHE 36 -1.177 0.126 -6.848 789 HE1 PHE 36 HE1 PHE 36 -3.452 -1.508 -2.811 790 HE2 PHE 36 HE2 PHE 36 -1.502 -2.289 -6.515 791 HZ PHE 36 HZ PHE 36 -2.641 -3.106 -4.492 792 H PHE 37 HN PHE 37 -1.817 5.000 -5.140 793 HA PHE 37 HA PHE 37 -1.983 5.998 -7.915 794 1HB PHE 37 HB2 PHE 37 -3.678 7.162 -6.518 795 2HB PHE 37 HB1 PHE 37 -2.442 7.556 -5.338 796 HD1 PHE 37 HD1 PHE 37 -4.232 8.650 -8.178 797 HD2 PHE 37 HD2 PHE 37 -0.507 9.083 -6.163 798 HE1 PHE 37 HE1 PHE 37 -3.886 10.819 -9.287 799 HE2 PHE 37 HE2 PHE 37 -0.153 11.247 -7.275 800 HZ PHE 37 HZ PHE 37 -1.844 12.119 -8.837 801 H VAL 38 HN VAL 38 0.085 6.479 -8.599 802 HA VAL 38 HA VAL 38 2.143 6.459 -6.522 803 HB VAL 38 HB VAL 38 2.475 4.907 -8.366 804 1HG1 VAL 38 HG11 VAL 38 3.038 5.690 -10.619 805 2HG1 VAL 38 HG12 VAL 38 2.661 7.343 -10.129 806 3HG1 VAL 38 HG13 VAL 38 1.388 6.122 -10.167 807 1HG2 VAL 38 HG21 VAL 38 4.417 7.133 -7.934 808 2HG2 VAL 38 HG22 VAL 38 4.798 5.840 -9.078 809 3HG2 VAL 38 HG23 VAL 38 4.485 5.456 -7.384 810 H ASP 39 HN ASP 39 3.431 8.125 -6.100 811 HA ASP 39 HA ASP 39 3.103 10.592 -7.658 812 1HB ASP 39 HB2 ASP 39 1.540 10.775 -5.798 813 2HB ASP 39 HB1 ASP 39 2.817 10.375 -4.654 814 H GLY 40 HN GLY 40 5.118 10.711 -8.442 815 1HA GLY 40 HA2 GLY 40 7.377 11.168 -8.429 816 2HA GLY 40 HA1 GLY 40 7.278 11.354 -6.681 817 H ASP 41 HN ASP 41 7.744 9.647 -5.353 818 HA ASP 41 HA ASP 41 8.617 7.159 -6.688 819 1HB ASP 41 HB2 ASP 41 9.583 8.165 -4.006 820 2HB ASP 41 HB1 ASP 41 10.233 6.826 -4.941 821 H LYS 42 HN LYS 42 6.340 8.549 -4.641 822 HA LYS 42 HA LYS 42 6.215 6.271 -2.818 823 1HB LYS 42 HB2 LYS 42 5.264 7.645 -1.250 824 2HB LYS 42 HB1 LYS 42 6.216 8.825 -2.144 825 1HG LYS 42 HG2 LYS 42 4.265 9.463 -3.419 826 2HG LYS 42 HG1 LYS 42 3.302 8.233 -2.571 827 1HD LYS 42 HD2 LYS 42 2.935 10.480 -1.647 828 2HD LYS 42 HD1 LYS 42 3.716 9.424 -0.461 829 1HE LYS 42 HE2 LYS 42 4.974 11.363 -0.293 830 2HE LYS 42 HE1 LYS 42 5.901 10.376 -1.424 831 1HZ LYS 42 HZ1 LYS 42 4.967 11.611 -3.256 832 2HZ LYS 42 HZ2 LYS 42 5.716 12.668 -2.165 833 3HZ LYS 42 HZ3 LYS 42 4.030 12.541 -2.199 834 H ILE 43 HN ILE 43 3.910 5.825 -2.053 835 HA ILE 43 HA ILE 43 2.177 5.532 -4.417 836 HB ILE 43 HB ILE 43 2.666 3.376 -2.335 837 1HG1 ILE 43 HG12 ILE 43 4.584 3.708 -3.911 838 2HG1 ILE 43 HG11 ILE 43 3.832 2.122 -4.035 839 1HG2 ILE 43 HG21 ILE 43 1.058 3.289 -4.883 840 2HG2 ILE 43 HG22 ILE 43 0.393 3.403 -3.253 841 3HG2 ILE 43 HG23 ILE 43 1.287 1.961 -3.744 842 1HD1 ILE 43 HD11 ILE 43 4.261 2.817 -6.235 843 2HD1 ILE 43 HD12 ILE 43 3.616 4.433 -5.935 844 3HD1 ILE 43 HD13 ILE 43 2.528 3.045 -5.993 845 H ILE 44 HN ILE 44 -0.020 5.644 -3.987 846 HA ILE 44 HA ILE 44 -0.768 6.544 -1.275 847 HB ILE 44 HB ILE 44 -1.859 7.612 -3.880 848 1HG1 ILE 44 HG12 ILE 44 0.228 8.780 -2.029 849 2HG1 ILE 44 HG11 ILE 44 0.478 8.228 -3.686 850 1HG2 ILE 44 HG21 ILE 44 -3.409 7.776 -2.031 851 2HG2 ILE 44 HG22 ILE 44 -2.807 9.378 -2.465 852 3HG2 ILE 44 HG23 ILE 44 -2.176 8.554 -1.038 853 1HD1 ILE 44 HD11 ILE 44 -1.266 10.546 -2.865 854 2HD1 ILE 44 HD12 ILE 44 -0.931 10.017 -4.515 855 3HD1 ILE 44 HD13 ILE 44 0.368 10.667 -3.514 856 H LEU 45 HN LEU 45 -2.245 5.211 -0.406 857 HA LEU 45 HA LEU 45 -3.863 3.548 -2.212 858 1HB LEU 45 HB2 LEU 45 -2.847 3.192 0.575 859 2HB LEU 45 HB1 LEU 45 -4.255 2.296 0.046 860 HG LEU 45 HG LEU 45 -2.937 1.275 -1.754 861 1HD1 LEU 45 HD11 LEU 45 -0.644 2.813 -0.548 862 2HD1 LEU 45 HD12 LEU 45 -1.294 2.981 -2.180 863 3HD1 LEU 45 HD13 LEU 45 -0.471 1.493 -1.704 864 1HD2 LEU 45 HD21 LEU 45 -3.138 0.132 0.359 865 2HD2 LEU 45 HD22 LEU 45 -1.760 1.025 1.005 866 3HD2 LEU 45 HD23 LEU 45 -1.527 -0.124 -0.311 867 H LYS 46 HN LYS 46 -6.036 3.457 -2.132 868 HA LYS 46 HA LYS 46 -7.530 4.579 0.102 869 1HB LYS 46 HB2 LYS 46 -8.858 6.089 -1.160 870 2HB LYS 46 HB1 LYS 46 -7.204 6.446 -1.643 871 1HG LYS 46 HG2 LYS 46 -7.464 5.343 -3.713 872 2HG LYS 46 HG1 LYS 46 -8.969 4.580 -3.201 873 1HD LYS 46 HD2 LYS 46 -10.008 6.838 -3.092 874 2HD LYS 46 HD1 LYS 46 -8.516 7.512 -3.754 875 1HE LYS 46 HE2 LYS 46 -10.036 7.220 -5.569 876 2HE LYS 46 HE1 LYS 46 -8.783 5.989 -5.711 877 1HZ LYS 46 HZ1 LYS 46 -10.427 4.493 -4.500 878 2HZ LYS 46 HZ2 LYS 46 -10.752 4.862 -6.118 879 3HZ LYS 46 HZ3 LYS 46 -11.601 5.652 -4.883 880 H LYS 47 HN LYS 47 -9.753 3.839 0.066 881 HA LYS 47 HA LYS 47 -10.138 1.310 -1.229 882 1HB LYS 47 HB2 LYS 47 -11.183 2.204 1.000 883 2HB LYS 47 HB1 LYS 47 -12.375 2.950 -0.049 884 1HG LYS 47 HG2 LYS 47 -11.836 0.019 -0.309 885 2HG LYS 47 HG1 LYS 47 -12.823 0.610 1.032 886 1HD LYS 47 HD2 LYS 47 -14.212 1.807 -0.728 887 2HD LYS 47 HD1 LYS 47 -13.330 0.852 -1.923 888 1HE LYS 47 HE2 LYS 47 -15.406 -0.254 -1.435 889 2HE LYS 47 HE1 LYS 47 -14.088 -1.206 -0.753 890 1HZ LYS 47 HZ1 LYS 47 -16.083 -0.892 0.708 891 2HZ LYS 47 HZ2 LYS 47 -15.658 0.742 0.845 892 3HZ LYS 47 HZ3 LYS 47 -14.607 -0.466 1.405 893 H TYR 48 HN TYR 48 -11.836 0.897 -2.837 894 HA TYR 48 HA TYR 48 -11.468 2.615 -5.046 895 1HB TYR 48 HB2 TYR 48 -11.774 0.141 -5.175 896 2HB TYR 48 HB1 TYR 48 -13.462 0.366 -4.728 897 HD1 TYR 48 HD1 TYR 48 -15.077 0.776 -6.372 898 HD2 TYR 48 HD2 TYR 48 -10.960 1.238 -7.340 899 HE1 TYR 48 HE1 TYR 48 -15.667 1.030 -8.743 900 HE2 TYR 48 HE2 TYR 48 -11.543 1.499 -9.717 901 HH TYR 48 HH TYR 48 -13.337 0.924 -11.241 902 H LYS 49 HN LYS 49 -14.364 1.760 -3.211 903 HA LYS 49 HA LYS 49 -16.194 3.258 -4.635 904 1HB LYS 49 HB2 LYS 49 -16.612 1.427 -2.942 905 2HB LYS 49 HB1 LYS 49 -16.432 2.657 -1.700 906 1HG LYS 49 HG2 LYS 49 -18.788 2.175 -2.305 907 2HG LYS 49 HG1 LYS 49 -18.324 3.867 -2.510 908 1HD LYS 49 HD2 LYS 49 -18.069 3.543 -4.897 909 2HD LYS 49 HD1 LYS 49 -18.404 1.819 -4.729 910 1HE LYS 49 HE2 LYS 49 -20.350 3.987 -3.957 911 2HE LYS 49 HE1 LYS 49 -20.336 3.205 -5.536 912 1HZ LYS 49 HZ1 LYS 49 -20.711 1.810 -2.938 913 2HZ LYS 49 HZ2 LYS 49 -20.741 1.088 -4.471 914 3HZ LYS 49 HZ3 LYS 49 -21.950 2.196 -4.031 915 HA PRO 50 HA PRO 50 -15.773 6.857 -1.264 916 1HB PRO 50 HB2 PRO 50 -12.868 6.440 -0.721 917 2HB PRO 50 HB1 PRO 50 -14.138 7.051 0.347 918 1HG PRO 50 HG2 PRO 50 -13.238 4.573 0.630 919 2HG PRO 50 HG1 PRO 50 -14.970 4.928 0.789 920 1HD PRO 50 HD2 PRO 50 -13.491 3.678 -1.487 921 2HD PRO 50 HD1 PRO 50 -15.101 3.299 -0.843 922 H HIS 51 HN HIS 51 -15.874 8.424 -2.705 923 HA HIS 51 HA HIS 51 -14.023 8.537 -4.907 924 1HB HIS 51 HB2 HIS 51 -16.441 8.930 -5.233 925 2HB HIS 51 HB1 HIS 51 -16.333 10.367 -4.223 926 HD1 HIS 51 HD1 HIS 51 -14.928 9.041 -7.504 927 HD2 HIS 51 HD2 HIS 51 -15.772 12.647 -5.598 928 HE1 HIS 51 HE1 HIS 51 -14.515 10.837 -9.218 929 HE2 HIS 51 HE2 HIS 51 -14.888 13.013 -7.998 930 H GLY 52 HN GLY 52 -12.092 9.027 -3.856 931 1HA GLY 52 HA2 GLY 52 -11.878 11.714 -2.697 932 2HA GLY 52 HA1 GLY 52 -10.640 10.463 -2.636 933 H VAL 53 HN VAL 53 -8.989 11.686 -3.498 934 HA VAL 53 HA VAL 53 -9.379 12.988 -6.057 935 HB VAL 53 HB VAL 53 -7.983 14.071 -4.329 936 1HG1 VAL 53 HG11 VAL 53 -6.990 12.117 -3.299 937 2HG1 VAL 53 HG12 VAL 53 -5.729 13.216 -3.859 938 3HG1 VAL 53 HG13 VAL 53 -6.102 11.759 -4.780 939 1HG2 VAL 53 HG21 VAL 53 -6.559 13.304 -6.869 940 2HG2 VAL 53 HG22 VAL 53 -6.063 14.619 -5.802 941 3HG2 VAL 53 HG23 VAL 53 -7.625 14.686 -6.622 942 H CYS 54 HN CYS 54 -8.455 12.383 -7.976 943 HA CYS 54 HA CYS 54 -6.770 10.039 -8.140 944 1HB CYS 54 HB2 CYS 54 -8.316 8.943 -9.808 945 2HB CYS 54 HB1 CYS 54 -8.898 8.931 -8.147 946 HG CYS 54 HG CYS 54 -9.938 11.179 -10.505 Start of MODEL 7 1 1H MET 1 HT1 MET 1 -7.694 3.918 -12.583 2 2H MET 1 HT2 MET 1 -9.350 3.758 -12.270 3 3H MET 1 HT3 MET 1 -8.269 4.023 -10.988 4 HA MET 1 HA MET 1 -8.751 5.915 -13.213 5 1HB MET 1 HB2 MET 1 -9.958 7.282 -11.505 6 2HB MET 1 HB1 MET 1 -10.776 5.791 -11.945 7 1HG MET 1 HG2 MET 1 -9.917 4.741 -9.901 8 2HG MET 1 HG1 MET 1 -9.159 6.269 -9.456 9 1HE MET 1 HE1 MET 1 -13.734 5.794 -9.875 10 2HE MET 1 HE2 MET 1 -12.604 4.479 -10.197 11 3HE MET 1 HE3 MET 1 -12.629 5.896 -11.247 12 H LYS 2 HN LYS 2 -7.059 5.080 -10.249 13 HA LYS 2 HA LYS 2 -5.750 7.617 -10.002 14 1HB LYS 2 HB2 LYS 2 -5.100 4.926 -8.793 15 2HB LYS 2 HB1 LYS 2 -4.317 6.442 -8.347 16 1HG LYS 2 HG2 LYS 2 -6.499 7.345 -7.667 17 2HG LYS 2 HG1 LYS 2 -7.248 5.804 -8.078 18 1HD LYS 2 HD2 LYS 2 -6.966 5.571 -5.826 19 2HD LYS 2 HD1 LYS 2 -5.476 4.841 -6.416 20 1HE LYS 2 HE2 LYS 2 -5.007 6.304 -4.548 21 2HE LYS 2 HE1 LYS 2 -4.305 6.962 -6.021 22 1HZ LYS 2 HZ1 LYS 2 -5.350 8.710 -4.760 23 2HZ LYS 2 HZ2 LYS 2 -6.815 7.870 -4.714 24 3HZ LYS 2 HZ3 LYS 2 -6.233 8.463 -6.188 25 H SER 3 HN SER 3 -3.148 7.369 -9.808 26 HA SER 3 HA SER 3 -2.068 7.404 -12.317 27 1HB SER 3 HB2 SER 3 -0.702 6.589 -9.746 28 2HB SER 3 HB1 SER 3 0.127 7.108 -11.221 29 HG SER 3 HG SER 3 -0.737 9.133 -10.989 30 H ILE 4 HN ILE 4 -1.895 4.663 -10.060 31 HA ILE 4 HA ILE 4 -0.862 2.937 -12.130 32 HB ILE 4 HB ILE 4 -1.893 1.870 -9.528 33 1HG1 ILE 4 HG12 ILE 4 0.701 3.407 -9.851 34 2HG1 ILE 4 HG11 ILE 4 -0.678 3.913 -8.888 35 1HG2 ILE 4 HG21 ILE 4 -0.969 0.359 -11.215 36 2HG2 ILE 4 HG22 ILE 4 0.038 0.384 -9.767 37 3HG2 ILE 4 HG23 ILE 4 0.544 1.268 -11.209 38 1HD1 ILE 4 HD11 ILE 4 -0.363 2.007 -7.413 39 2HD1 ILE 4 HD12 ILE 4 1.087 3.007 -7.497 40 3HD1 ILE 4 HD13 ILE 4 1.016 1.481 -8.379 41 H GLY 5 HN GLY 5 -3.832 3.644 -10.474 42 1HA GLY 5 HA2 GLY 5 -6.000 3.416 -11.192 43 2HA GLY 5 HA1 GLY 5 -5.373 2.775 -12.703 44 H VAL 6 HN VAL 6 -4.227 1.180 -9.957 45 HA VAL 6 HA VAL 6 -6.052 -1.032 -10.564 46 HB VAL 6 HB VAL 6 -4.281 -2.530 -9.651 47 1HG1 VAL 6 HG11 VAL 6 -2.725 -2.275 -11.587 48 2HG1 VAL 6 HG12 VAL 6 -3.569 -0.774 -11.993 49 3HG1 VAL 6 HG13 VAL 6 -4.436 -2.312 -12.022 50 1HG2 VAL 6 HG21 VAL 6 -2.001 -1.648 -9.427 51 2HG2 VAL 6 HG22 VAL 6 -3.102 -0.943 -8.244 52 3HG2 VAL 6 HG23 VAL 6 -2.622 -0.015 -9.663 53 H VAL 7 HN VAL 7 -7.306 -1.807 -9.091 54 HA VAL 7 HA VAL 7 -6.952 -0.942 -6.313 55 HB VAL 7 HB VAL 7 -9.060 -0.177 -7.272 56 1HG1 VAL 7 HG11 VAL 7 -9.676 -3.085 -7.769 57 2HG1 VAL 7 HG12 VAL 7 -9.335 -1.874 -9.004 58 3HG1 VAL 7 HG13 VAL 7 -10.786 -1.735 -8.010 59 1HG2 VAL 7 HG21 VAL 7 -10.600 -1.090 -5.616 60 2HG2 VAL 7 HG22 VAL 7 -9.013 -0.778 -4.908 61 3HG2 VAL 7 HG23 VAL 7 -9.487 -2.426 -5.311 62 H ARG 8 HN ARG 8 -6.991 -2.454 -4.690 63 HA ARG 8 HA ARG 8 -6.620 -5.220 -5.621 64 1HB ARG 8 HB2 ARG 8 -4.983 -3.506 -3.939 65 2HB ARG 8 HB1 ARG 8 -5.378 -5.029 -3.150 66 1HG ARG 8 HG2 ARG 8 -3.232 -4.991 -4.460 67 2HG ARG 8 HG1 ARG 8 -4.358 -6.292 -4.860 68 1HD ARG 8 HD2 ARG 8 -5.001 -5.288 -6.870 69 2HD ARG 8 HD1 ARG 8 -4.354 -3.716 -6.399 70 HE ARG 8 HE ARG 8 -2.127 -5.141 -6.471 71 1HH1 ARG 8 HH11 ARG 8 -4.801 -5.123 -8.736 72 2HH1 ARG 8 HH12 ARG 8 -3.805 -5.487 -10.117 73 1HH2 ARG 8 HH21 ARG 8 -0.824 -5.631 -8.270 74 2HH2 ARG 8 HH22 ARG 8 -1.536 -5.802 -9.846 75 H LYS 9 HN LYS 9 -7.120 -6.866 -4.069 76 HA LYS 9 HA LYS 9 -9.230 -6.047 -2.205 77 1HB LYS 9 HB2 LYS 9 -9.182 -8.666 -3.716 78 2HB LYS 9 HB1 LYS 9 -10.493 -8.012 -2.746 79 1HG LYS 9 HG2 LYS 9 -9.512 -6.953 -5.391 80 2HG LYS 9 HG1 LYS 9 -11.028 -7.803 -5.087 81 1HD LYS 9 HD2 LYS 9 -11.796 -5.974 -3.680 82 2HD LYS 9 HD1 LYS 9 -10.262 -5.128 -3.892 83 1HE LYS 9 HE2 LYS 9 -11.816 -4.113 -5.361 84 2HE LYS 9 HE1 LYS 9 -10.738 -5.097 -6.353 85 1HZ LYS 9 HZ1 LYS 9 -13.447 -5.917 -5.447 86 2HZ LYS 9 HZ2 LYS 9 -12.415 -6.818 -6.448 87 3HZ LYS 9 HZ3 LYS 9 -13.063 -5.354 -6.999 88 H VAL 10 HN VAL 10 -8.777 -6.538 -0.203 89 HA VAL 10 HA VAL 10 -6.362 -7.648 0.612 90 HB VAL 10 HB VAL 10 -8.960 -7.162 2.059 91 1HG1 VAL 10 HG11 VAL 10 -7.795 -7.582 4.173 92 2HG1 VAL 10 HG12 VAL 10 -6.396 -8.174 3.277 93 3HG1 VAL 10 HG13 VAL 10 -7.929 -9.042 3.195 94 1HG2 VAL 10 HG21 VAL 10 -6.248 -5.857 2.144 95 2HG2 VAL 10 HG22 VAL 10 -7.616 -5.416 3.166 96 3HG2 VAL 10 HG23 VAL 10 -7.716 -5.203 1.418 97 H ASP 11 HN ASP 11 -5.769 -9.614 1.426 98 HA ASP 11 HA ASP 11 -6.958 -11.919 0.306 99 1HB ASP 11 HB2 ASP 11 -4.531 -11.641 0.929 100 2HB ASP 11 HB1 ASP 11 -5.006 -11.784 2.618 101 H GLU 12 HN GLU 12 -6.331 -11.534 3.745 102 HA GLU 12 HA GLU 12 -9.147 -11.536 4.439 103 1HB GLU 12 HB2 GLU 12 -7.277 -13.662 5.534 104 2HB GLU 12 HB1 GLU 12 -8.913 -13.359 6.093 105 1HG GLU 12 HG2 GLU 12 -9.639 -13.886 3.711 106 2HG GLU 12 HG1 GLU 12 -8.009 -14.522 3.490 107 H LEU 13 HN LEU 13 -5.796 -11.558 5.368 108 HA LEU 13 HA LEU 13 -6.188 -10.419 7.979 109 1HB LEU 13 HB2 LEU 13 -3.633 -10.686 6.414 110 2HB LEU 13 HB1 LEU 13 -3.810 -10.594 8.157 111 HG LEU 13 HG LEU 13 -4.879 -12.898 6.538 112 1HD1 LEU 13 HD11 LEU 13 -2.214 -12.725 7.936 113 2HD1 LEU 13 HD12 LEU 13 -2.444 -12.614 6.188 114 3HD1 LEU 13 HD13 LEU 13 -2.860 -14.106 7.045 115 1HD2 LEU 13 HD21 LEU 13 -5.818 -12.613 8.775 116 2HD2 LEU 13 HD22 LEU 13 -4.193 -12.590 9.461 117 3HD2 LEU 13 HD23 LEU 13 -4.804 -14.054 8.691 118 H GLY 14 HN GLY 14 -5.324 -9.309 4.793 119 1HA GLY 14 HA2 GLY 14 -5.741 -6.759 4.649 120 2HA GLY 14 HA1 GLY 14 -4.436 -6.714 5.831 121 H ARG 15 HN ARG 15 -3.550 -9.263 4.248 122 HA ARG 15 HA ARG 15 -1.478 -8.061 2.789 123 1HB ARG 15 HB2 ARG 15 -2.563 -10.848 2.359 124 2HB ARG 15 HB1 ARG 15 -0.931 -10.278 2.040 125 1HG ARG 15 HG2 ARG 15 -0.761 -9.836 4.538 126 2HG ARG 15 HG1 ARG 15 -2.254 -10.781 4.687 127 1HD ARG 15 HD2 ARG 15 -1.231 -12.725 3.861 128 2HD ARG 15 HD1 ARG 15 0.153 -11.832 3.232 129 HE ARG 15 HE ARG 15 -0.167 -11.691 6.105 130 1HH1 ARG 15 HH11 ARG 15 1.221 -13.475 3.421 131 2HH1 ARG 15 HH12 ARG 15 2.524 -14.135 4.366 132 1HH2 ARG 15 HH21 ARG 15 1.536 -12.571 7.359 133 2HH2 ARG 15 HH22 ARG 15 2.695 -13.632 6.609 134 H ILE 16 HN ILE 16 -1.347 -7.327 0.740 135 HA ILE 16 HA ILE 16 -3.290 -8.258 -1.240 136 HB ILE 16 HB ILE 16 -4.099 -6.229 -1.916 137 1HG1 ILE 16 HG12 ILE 16 -1.602 -4.938 -0.800 138 2HG1 ILE 16 HG11 ILE 16 -2.046 -5.159 -2.497 139 1HG2 ILE 16 HG21 ILE 16 -3.478 -5.679 0.978 140 2HG2 ILE 16 HG22 ILE 16 -4.901 -6.500 0.337 141 3HG2 ILE 16 HG23 ILE 16 -4.646 -4.787 0.003 142 1HD1 ILE 16 HD11 ILE 16 -2.336 -2.852 -1.777 143 2HD1 ILE 16 HD12 ILE 16 -3.478 -3.377 -0.538 144 3HD1 ILE 16 HD13 ILE 16 -3.870 -3.585 -2.247 145 H VAL 17 HN VAL 17 -2.531 -7.193 -3.470 146 HA VAL 17 HA VAL 17 0.335 -7.787 -3.586 147 HB VAL 17 HB VAL 17 -0.886 -9.371 -4.877 148 1HG1 VAL 17 HG11 VAL 17 -2.191 -7.063 -6.313 149 2HG1 VAL 17 HG12 VAL 17 -2.972 -8.150 -5.166 150 3HG1 VAL 17 HG13 VAL 17 -2.387 -8.771 -6.709 151 1HG2 VAL 17 HG21 VAL 17 1.192 -8.640 -5.871 152 2HG2 VAL 17 HG22 VAL 17 0.362 -7.327 -6.708 153 3HG2 VAL 17 HG23 VAL 17 0.015 -9.005 -7.132 154 H MET 18 HN MET 18 1.567 -6.051 -3.680 155 HA MET 18 HA MET 18 0.603 -3.571 -4.832 156 1HB MET 18 HB2 MET 18 3.324 -4.313 -3.724 157 2HB MET 18 HB1 MET 18 2.842 -2.696 -4.221 158 1HG MET 18 HG2 MET 18 1.060 -3.946 -2.267 159 2HG MET 18 HG1 MET 18 2.699 -3.664 -1.687 160 1HE MET 18 HE1 MET 18 0.416 -1.604 -4.212 161 2HE MET 18 HE2 MET 18 -0.238 -0.400 -3.099 162 3HE MET 18 HE3 MET 18 -0.650 -2.103 -2.898 163 HA PRO 19 HA PRO 19 2.079 -4.489 -8.787 164 1HB PRO 19 HB2 PRO 19 2.272 -2.074 -9.936 165 2HB PRO 19 HB1 PRO 19 0.716 -2.731 -9.408 166 1HG PRO 19 HG2 PRO 19 2.426 -0.651 -8.155 167 2HG PRO 19 HG1 PRO 19 0.663 -0.801 -8.168 168 1HD PRO 19 HD2 PRO 19 2.381 -1.544 -6.064 169 2HD PRO 19 HD1 PRO 19 0.669 -1.978 -6.226 170 H ILE 20 HN ILE 20 3.787 -4.595 -10.219 171 HA ILE 20 HA ILE 20 6.406 -4.341 -9.337 172 HB ILE 20 HB ILE 20 5.924 -5.675 -11.261 173 1HG1 ILE 20 HG12 ILE 20 7.557 -4.798 -12.934 174 2HG1 ILE 20 HG11 ILE 20 7.591 -3.276 -12.051 175 1HG2 ILE 20 HG21 ILE 20 4.946 -3.125 -12.531 176 2HG2 ILE 20 HG22 ILE 20 4.026 -4.590 -12.181 177 3HG2 ILE 20 HG23 ILE 20 5.264 -4.607 -13.436 178 1HD1 ILE 20 HD11 ILE 20 8.482 -4.426 -10.101 179 2HD1 ILE 20 HD12 ILE 20 9.506 -4.664 -11.516 180 3HD1 ILE 20 HD13 ILE 20 8.433 -5.955 -10.976 181 H GLU 21 HN GLU 21 4.271 -2.042 -10.835 182 HA GLU 21 HA GLU 21 6.060 0.002 -11.480 183 1HB GLU 21 HB2 GLU 21 3.240 0.384 -10.475 184 2HB GLU 21 HB1 GLU 21 4.130 1.403 -11.602 185 1HG GLU 21 HG2 GLU 21 3.319 -1.442 -12.132 186 2HG GLU 21 HG1 GLU 21 2.430 -0.020 -12.685 187 H LEU 22 HN LEU 22 4.760 -1.016 -8.415 188 HA LEU 22 HA LEU 22 5.528 1.367 -6.999 189 1HB LEU 22 HB2 LEU 22 3.923 0.393 -5.731 190 2HB LEU 22 HB1 LEU 22 4.246 -1.201 -6.374 191 HG LEU 22 HG LEU 22 6.294 -0.177 -4.516 192 1HD1 LEU 22 HD11 LEU 22 3.542 -0.935 -3.553 193 2HD1 LEU 22 HD12 LEU 22 4.268 0.670 -3.450 194 3HD1 LEU 22 HD13 LEU 22 4.960 -0.672 -2.538 195 1HD2 LEU 22 HD21 LEU 22 6.323 -2.434 -5.493 196 2HD2 LEU 22 HD22 LEU 22 4.770 -2.772 -4.724 197 3HD2 LEU 22 HD23 LEU 22 6.199 -2.476 -3.731 198 H ARG 23 HN ARG 23 6.748 -1.877 -7.545 199 HA ARG 23 HA ARG 23 9.113 -1.615 -5.996 200 1HB ARG 23 HB2 ARG 23 8.706 -3.316 -8.470 201 2HB ARG 23 HB1 ARG 23 9.995 -3.502 -7.290 202 1HG ARG 23 HG2 ARG 23 8.167 -3.890 -5.574 203 2HG ARG 23 HG1 ARG 23 7.066 -4.052 -6.943 204 1HD ARG 23 HD2 ARG 23 9.597 -5.655 -6.761 205 2HD ARG 23 HD1 ARG 23 8.120 -6.182 -5.965 206 HE ARG 23 HE ARG 23 7.294 -5.775 -8.484 207 1HH1 ARG 23 HH11 ARG 23 10.072 -7.496 -7.222 208 2HH1 ARG 23 HH12 ARG 23 10.031 -8.726 -8.446 209 1HH2 ARG 23 HH21 ARG 23 7.237 -7.403 -10.104 210 2HH2 ARG 23 HH22 ARG 23 8.443 -8.653 -10.096 211 H ARG 24 HN ARG 24 8.225 -0.519 -9.135 212 HA ARG 24 HA ARG 24 10.925 0.060 -10.011 213 1HB ARG 24 HB2 ARG 24 8.226 0.627 -11.250 214 2HB ARG 24 HB1 ARG 24 9.776 0.924 -12.037 215 1HG ARG 24 HG2 ARG 24 10.265 -1.398 -12.127 216 2HG ARG 24 HG1 ARG 24 8.908 -1.788 -11.066 217 1HD ARG 24 HD2 ARG 24 7.894 -2.257 -13.033 218 2HD ARG 24 HD1 ARG 24 7.587 -0.521 -13.021 219 HE ARG 24 HE ARG 24 10.066 -1.193 -14.280 220 1HH1 ARG 24 HH11 ARG 24 6.599 -0.972 -14.779 221 2HH1 ARG 24 HH12 ARG 24 6.739 -0.817 -16.506 222 1HH2 ARG 24 HH21 ARG 24 10.243 -1.051 -16.546 223 2HH2 ARG 24 HH22 ARG 24 8.805 -0.867 -17.513 224 H ALA 25 HN ALA 25 8.178 1.697 -8.642 225 HA ALA 25 HA ALA 25 9.035 4.361 -9.182 226 1HB ALA 25 HB1 ALA 25 7.151 3.282 -7.085 227 2HB ALA 25 HB2 ALA 25 6.711 3.916 -8.673 228 3HB ALA 25 HB3 ALA 25 7.384 4.992 -7.446 229 H LEU 26 HN LEU 26 9.284 2.172 -6.459 230 HA LEU 26 HA LEU 26 10.823 4.086 -4.926 231 1HB LEU 26 HB2 LEU 26 9.826 1.311 -4.352 232 2HB LEU 26 HB1 LEU 26 10.795 2.237 -3.217 233 HG LEU 26 HG LEU 26 8.126 3.153 -4.286 234 1HD1 LEU 26 HD11 LEU 26 8.758 1.828 -1.649 235 2HD1 LEU 26 HD12 LEU 26 7.880 1.088 -2.988 236 3HD1 LEU 26 HD13 LEU 26 7.193 2.476 -2.144 237 1HD2 LEU 26 HD21 LEU 26 8.238 4.692 -2.358 238 2HD2 LEU 26 HD22 LEU 26 9.535 4.964 -3.520 239 3HD2 LEU 26 HD23 LEU 26 9.867 4.110 -2.012 240 H ASP 27 HN ASP 27 11.466 0.675 -4.872 241 HA ASP 27 HA ASP 27 13.840 0.409 -6.219 242 1HB ASP 27 HB2 ASP 27 14.650 2.305 -4.805 243 2HB ASP 27 HB1 ASP 27 14.313 1.349 -3.368 244 H ILE 28 HN ILE 28 11.960 -1.305 -5.927 245 HA ILE 28 HA ILE 28 12.780 -3.149 -3.776 246 HB ILE 28 HB ILE 28 10.088 -2.868 -5.120 247 1HG1 ILE 28 HG12 ILE 28 9.359 -2.811 -2.669 248 2HG1 ILE 28 HG11 ILE 28 11.063 -2.627 -2.264 249 1HG2 ILE 28 HG21 ILE 28 10.600 -5.223 -5.026 250 2HG2 ILE 28 HG22 ILE 28 9.371 -4.828 -3.826 251 3HG2 ILE 28 HG23 ILE 28 11.041 -5.093 -3.322 252 1HD1 ILE 28 HD11 ILE 28 11.131 -0.556 -3.558 253 2HD1 ILE 28 HD12 ILE 28 9.927 -0.494 -2.270 254 3HD1 ILE 28 HD13 ILE 28 9.420 -0.746 -3.941 255 H ALA 29 HN ALA 29 13.582 -5.074 -4.303 256 HA ALA 29 HA ALA 29 13.747 -5.678 -7.167 257 1HB ALA 29 HB1 ALA 29 15.425 -6.688 -4.887 258 2HB ALA 29 HB2 ALA 29 15.875 -5.430 -6.038 259 3HB ALA 29 HB3 ALA 29 15.657 -7.091 -6.589 260 H ILE 30 HN ILE 30 13.294 -7.356 -4.096 261 HA ILE 30 HA ILE 30 11.458 -9.198 -5.410 262 HB ILE 30 HB ILE 30 13.689 -10.238 -5.605 263 1HG1 ILE 30 HG12 ILE 30 11.434 -11.509 -5.129 264 2HG1 ILE 30 HG11 ILE 30 12.960 -12.376 -5.188 265 1HG2 ILE 30 HG21 ILE 30 14.781 -9.337 -3.666 266 2HG2 ILE 30 HG22 ILE 30 14.822 -11.099 -3.594 267 3HG2 ILE 30 HG23 ILE 30 13.676 -10.202 -2.597 268 1HD1 ILE 30 HD11 ILE 30 11.593 -13.136 -3.343 269 2HD1 ILE 30 HD12 ILE 30 11.521 -11.497 -2.696 270 3HD1 ILE 30 HD13 ILE 30 13.060 -12.358 -2.747 271 H LYS 31 HN LYS 31 12.916 -7.952 -2.496 272 HA LYS 31 HA LYS 31 10.352 -8.259 -1.131 273 1HB LYS 31 HB2 LYS 31 13.027 -8.690 0.218 274 2HB LYS 31 HB1 LYS 31 11.438 -8.862 0.950 275 1HG LYS 31 HG2 LYS 31 10.997 -10.736 -0.633 276 2HG LYS 31 HG1 LYS 31 12.676 -10.614 -1.157 277 1HD LYS 31 HD2 LYS 31 12.564 -12.347 0.470 278 2HD LYS 31 HD1 LYS 31 13.348 -10.962 1.233 279 1HE LYS 31 HE2 LYS 31 11.236 -10.346 2.294 280 2HE LYS 31 HE1 LYS 31 10.441 -11.715 1.517 281 1HZ LYS 31 HZ1 LYS 31 12.579 -11.806 3.571 282 2HZ LYS 31 HZ2 LYS 31 12.066 -13.165 2.700 283 3HZ LYS 31 HZ3 LYS 31 10.977 -12.354 3.720 284 H ASP 32 HN ASP 32 13.573 -6.850 -1.067 285 HA ASP 32 HA ASP 32 14.390 -4.976 -0.087 286 1HB ASP 32 HB2 ASP 32 12.543 -4.342 -2.264 287 2HB ASP 32 HB1 ASP 32 12.994 -2.958 -1.243 288 H SER 33 HN SER 33 11.843 -2.772 -0.147 289 HA SER 33 HA SER 33 10.781 -3.328 2.468 290 1HB SER 33 HB2 SER 33 12.668 -0.961 2.257 291 2HB SER 33 HB1 SER 33 11.769 -1.479 3.680 292 HG SER 33 HG SER 33 13.194 -3.552 2.837 293 H ILE 34 HN ILE 34 8.853 -2.289 2.717 294 HA ILE 34 HA ILE 34 8.479 0.318 1.422 295 HB ILE 34 HB ILE 34 6.260 -1.720 1.293 296 1HG1 ILE 34 HG12 ILE 34 6.895 -1.665 -1.264 297 2HG1 ILE 34 HG11 ILE 34 8.503 -1.295 -0.654 298 1HG2 ILE 34 HG21 ILE 34 6.788 0.843 -0.198 299 2HG2 ILE 34 HG22 ILE 34 5.667 0.635 1.148 300 3HG2 ILE 34 HG23 ILE 34 5.370 -0.188 -0.383 301 1HD1 ILE 34 HD11 ILE 34 8.466 -3.361 0.656 302 2HD1 ILE 34 HD12 ILE 34 8.266 -3.663 -1.070 303 3HD1 ILE 34 HD13 ILE 34 6.870 -3.734 0.006 304 H GLU 35 HN GLU 35 8.184 1.560 3.183 305 HA GLU 35 HA GLU 35 6.561 0.555 5.424 306 1HB GLU 35 HB2 GLU 35 8.891 1.508 5.795 307 2HB GLU 35 HB1 GLU 35 8.239 3.069 5.313 308 1HG GLU 35 HG2 GLU 35 6.591 2.877 7.175 309 2HG GLU 35 HG1 GLU 35 7.438 1.425 7.702 310 H PHE 36 HN PHE 36 4.648 1.592 6.029 311 HA PHE 36 HA PHE 36 3.782 3.642 4.110 312 1HB PHE 36 HB2 PHE 36 1.426 2.499 5.015 313 2HB PHE 36 HB1 PHE 36 2.179 2.272 3.444 314 HD1 PHE 36 HD1 PHE 36 1.085 0.718 6.428 315 HD2 PHE 36 HD2 PHE 36 3.853 0.346 3.223 316 HE1 PHE 36 HE1 PHE 36 1.274 -1.692 6.872 317 HE2 PHE 36 HE2 PHE 36 4.050 -2.061 3.665 318 HZ PHE 36 HZ PHE 36 2.754 -3.082 5.489 319 H PHE 37 HN PHE 37 2.272 5.108 4.636 320 HA PHE 37 HA PHE 37 2.167 6.017 7.461 321 1HB PHE 37 HB2 PHE 37 3.471 7.326 5.643 322 2HB PHE 37 HB1 PHE 37 1.915 7.647 4.912 323 HD1 PHE 37 HD1 PHE 37 0.300 9.131 6.059 324 HD2 PHE 37 HD2 PHE 37 4.248 8.519 7.527 325 HE1 PHE 37 HE1 PHE 37 0.120 11.194 7.387 326 HE2 PHE 37 HE2 PHE 37 4.071 10.576 8.868 327 HZ PHE 37 HZ PHE 37 2.007 11.919 8.795 328 H VAL 38 HN VAL 38 0.123 7.006 8.036 329 HA VAL 38 HA VAL 38 -2.005 6.525 6.075 330 HB VAL 38 HB VAL 38 -2.322 4.808 7.719 331 1HG1 VAL 38 HG11 VAL 38 -2.374 6.968 9.826 332 2HG1 VAL 38 HG12 VAL 38 -1.064 5.817 9.573 333 3HG1 VAL 38 HG13 VAL 38 -2.653 5.244 10.087 334 1HG2 VAL 38 HG21 VAL 38 -4.577 5.205 8.289 335 2HG2 VAL 38 HG22 VAL 38 -4.281 6.147 6.821 336 3HG2 VAL 38 HG23 VAL 38 -4.323 6.946 8.391 337 H ASP 39 HN ASP 39 -3.349 8.142 5.728 338 HA ASP 39 HA ASP 39 -3.058 10.551 7.392 339 1HB ASP 39 HB2 ASP 39 -1.583 10.763 5.418 340 2HB ASP 39 HB1 ASP 39 -2.970 10.495 4.369 341 H GLY 40 HN GLY 40 -5.041 10.478 8.278 342 1HA GLY 40 HA2 GLY 40 -7.311 10.774 8.430 343 2HA GLY 40 HA1 GLY 40 -7.308 11.217 6.728 344 H ASP 41 HN ASP 41 -7.267 9.486 5.164 345 HA ASP 41 HA ASP 41 -8.500 6.990 6.158 346 1HB ASP 41 HB2 ASP 41 -8.975 8.115 3.400 347 2HB ASP 41 HB1 ASP 41 -9.916 6.904 4.262 348 H LYS 42 HN LYS 42 -6.104 8.528 4.213 349 HA LYS 42 HA LYS 42 -5.916 6.299 2.367 350 1HB LYS 42 HB2 LYS 42 -5.280 7.838 0.874 351 2HB LYS 42 HB1 LYS 42 -5.678 9.050 2.082 352 1HG LYS 42 HG2 LYS 42 -3.324 8.845 2.917 353 2HG LYS 42 HG1 LYS 42 -2.993 7.839 1.508 354 1HD LYS 42 HD2 LYS 42 -2.299 9.992 0.894 355 2HD LYS 42 HD1 LYS 42 -3.867 9.784 0.116 356 1HE LYS 42 HE2 LYS 42 -3.517 11.155 2.774 357 2HE LYS 42 HE1 LYS 42 -3.462 12.016 1.238 358 1HZ LYS 42 HZ1 LYS 42 -5.645 12.169 2.161 359 2HZ LYS 42 HZ2 LYS 42 -5.760 10.492 2.340 360 3HZ LYS 42 HZ3 LYS 42 -5.722 11.176 0.789 361 H ILE 43 HN ILE 43 -3.712 5.637 1.699 362 HA ILE 43 HA ILE 43 -1.939 5.433 4.044 363 HB ILE 43 HB ILE 43 -2.457 3.299 1.950 364 1HG1 ILE 43 HG12 ILE 43 -4.273 3.690 3.697 365 2HG1 ILE 43 HG11 ILE 43 -3.629 2.057 3.597 366 1HG2 ILE 43 HG21 ILE 43 -1.024 1.870 3.330 367 2HG2 ILE 43 HG22 ILE 43 -0.713 3.232 4.408 368 3HG2 ILE 43 HG23 ILE 43 -0.154 3.285 2.736 369 1HD1 ILE 43 HD11 ILE 43 -2.234 2.489 5.557 370 2HD1 ILE 43 HD12 ILE 43 -3.944 2.742 5.906 371 3HD1 ILE 43 HD13 ILE 43 -2.881 4.129 5.655 372 H ILE 44 HN ILE 44 0.282 5.529 3.600 373 HA ILE 44 HA ILE 44 0.987 6.497 0.897 374 HB ILE 44 HB ILE 44 1.935 7.703 3.501 375 1HG1 ILE 44 HG12 ILE 44 0.004 8.910 1.513 376 2HG1 ILE 44 HG11 ILE 44 -0.518 8.053 2.961 377 1HG2 ILE 44 HG21 ILE 44 3.544 7.924 1.702 378 2HG2 ILE 44 HG22 ILE 44 2.814 9.490 2.057 379 3HG2 ILE 44 HG23 ILE 44 2.299 8.575 0.640 380 1HD1 ILE 44 HD11 ILE 44 -0.540 10.474 3.257 381 2HD1 ILE 44 HD12 ILE 44 1.192 10.532 2.920 382 3HD1 ILE 44 HD13 ILE 44 0.596 9.691 4.354 383 H LEU 45 HN LEU 45 2.428 5.051 0.115 384 HA LEU 45 HA LEU 45 4.180 3.658 2.015 385 1HB LEU 45 HB2 LEU 45 3.190 2.995 -0.731 386 2HB LEU 45 HB1 LEU 45 4.610 2.198 -0.086 387 HG LEU 45 HG LEU 45 3.192 1.459 1.867 388 1HD1 LEU 45 HD11 LEU 45 0.950 2.404 0.092 389 2HD1 LEU 45 HD12 LEU 45 1.393 3.076 1.662 390 3HD1 LEU 45 HD13 LEU 45 0.775 1.426 1.551 391 1HD2 LEU 45 HD21 LEU 45 2.423 0.534 -0.892 392 2HD2 LEU 45 HD22 LEU 45 2.121 -0.350 0.605 393 3HD2 LEU 45 HD23 LEU 45 3.776 -0.051 0.076 394 H LYS 46 HN LYS 46 6.351 3.630 1.896 395 HA LYS 46 HA LYS 46 7.758 4.684 -0.410 396 1HB LYS 46 HB2 LYS 46 9.112 6.265 0.944 397 2HB LYS 46 HB1 LYS 46 7.430 6.739 0.797 398 1HG LYS 46 HG2 LYS 46 7.905 7.192 3.009 399 2HG LYS 46 HG1 LYS 46 7.139 5.609 3.097 400 1HD LYS 46 HD2 LYS 46 9.230 4.519 3.409 401 2HD LYS 46 HD1 LYS 46 10.130 5.983 3.002 402 1HE LYS 46 HE2 LYS 46 9.300 7.074 5.009 403 2HE LYS 46 HE1 LYS 46 8.330 5.656 5.399 404 1HZ LYS 46 HZ1 LYS 46 10.126 4.504 6.128 405 2HZ LYS 46 HZ2 LYS 46 10.683 6.070 6.462 406 3HZ LYS 46 HZ3 LYS 46 11.204 5.271 5.065 407 H LYS 47 HN LYS 47 10.034 4.226 -0.363 408 HA LYS 47 HA LYS 47 10.629 1.701 0.872 409 1HB LYS 47 HB2 LYS 47 11.528 2.945 -1.370 410 2HB LYS 47 HB1 LYS 47 12.846 3.312 -0.270 411 1HG LYS 47 HG2 LYS 47 11.838 0.516 -0.716 412 2HG LYS 47 HG1 LYS 47 13.106 1.245 -1.703 413 1HD LYS 47 HD2 LYS 47 14.465 1.575 0.311 414 2HD LYS 47 HD1 LYS 47 13.191 0.842 1.286 415 1HE LYS 47 HE2 LYS 47 14.863 -0.819 0.887 416 2HE LYS 47 HE1 LYS 47 13.441 -1.235 -0.065 417 1HZ LYS 47 HZ1 LYS 47 14.567 -0.189 -2.000 418 2HZ LYS 47 HZ2 LYS 47 15.366 -1.553 -1.404 419 3HZ LYS 47 HZ3 LYS 47 15.960 -0.005 -1.052 420 H TYR 48 HN TYR 48 12.304 1.297 2.428 421 HA TYR 48 HA TYR 48 12.150 3.185 4.570 422 1HB TYR 48 HB2 TYR 48 12.067 0.729 4.900 423 2HB TYR 48 HB1 TYR 48 13.734 0.621 4.340 424 HD1 TYR 48 HD1 TYR 48 15.564 1.157 5.790 425 HD2 TYR 48 HD2 TYR 48 11.557 1.781 7.075 426 HE1 TYR 48 HE1 TYR 48 16.361 1.469 8.093 427 HE2 TYR 48 HE2 TYR 48 12.342 2.098 9.387 428 HH TYR 48 HH TYR 48 15.599 2.576 10.176 429 H LYS 49 HN LYS 49 14.855 1.790 2.759 430 HA LYS 49 HA LYS 49 16.849 3.020 4.285 431 1HB LYS 49 HB2 LYS 49 16.946 0.922 2.824 432 2HB LYS 49 HB1 LYS 49 17.266 2.019 1.488 433 1HG LYS 49 HG2 LYS 49 19.333 1.109 2.392 434 2HG LYS 49 HG1 LYS 49 19.250 2.857 2.628 435 1HD LYS 49 HD2 LYS 49 18.616 2.567 4.933 436 2HD LYS 49 HD1 LYS 49 18.509 0.818 4.722 437 1HE LYS 49 HE2 LYS 49 20.914 0.739 4.246 438 2HE LYS 49 HE1 LYS 49 21.012 2.485 4.477 439 1HZ LYS 49 HZ1 LYS 49 20.489 2.260 6.752 440 2HZ LYS 49 HZ2 LYS 49 21.669 1.085 6.435 441 3HZ LYS 49 HZ3 LYS 49 20.039 0.635 6.579 442 HA PRO 50 HA PRO 50 17.809 5.742 0.246 443 1HB PRO 50 HB2 PRO 50 14.941 6.302 -0.391 444 2HB PRO 50 HB1 PRO 50 16.342 6.229 -1.468 445 1HG PRO 50 HG2 PRO 50 14.654 4.193 -1.350 446 2HG PRO 50 HG1 PRO 50 16.402 3.905 -1.449 447 1HD PRO 50 HD2 PRO 50 14.564 3.646 0.884 448 2HD PRO 50 HD1 PRO 50 16.002 2.694 0.464 449 H HIS 51 HN HIS 51 14.625 6.811 1.512 450 HA HIS 51 HA HIS 51 15.721 9.430 1.985 451 1HB HIS 51 HB2 HIS 51 12.989 8.239 2.360 452 2HB HIS 51 HB1 HIS 51 13.377 9.834 2.996 453 HD1 HIS 51 HD1 HIS 51 12.849 11.688 1.454 454 HD2 HIS 51 HD2 HIS 51 13.637 8.146 -0.587 455 HE1 HIS 51 HE1 HIS 51 12.463 12.200 -0.978 456 HE2 HIS 51 HE2 HIS 51 13.149 10.104 -2.205 457 H GLY 52 HN GLY 52 14.614 6.761 4.040 458 1HA GLY 52 HA2 GLY 52 14.759 6.421 6.300 459 2HA GLY 52 HA1 GLY 52 16.267 7.326 6.208 460 H VAL 53 HN VAL 53 12.792 7.864 6.126 461 HA VAL 53 HA VAL 53 12.934 9.896 8.176 462 HB VAL 53 HB VAL 53 13.504 11.149 6.098 463 1HG1 VAL 53 HG11 VAL 53 11.774 11.518 4.403 464 2HG1 VAL 53 HG12 VAL 53 10.744 10.335 5.209 465 3HG1 VAL 53 HG13 VAL 53 12.270 9.827 4.486 466 1HG2 VAL 53 HG21 VAL 53 10.819 11.867 7.269 467 2HG2 VAL 53 HG22 VAL 53 11.903 12.960 6.406 468 3HG2 VAL 53 HG23 VAL 53 12.388 12.277 7.959 469 H CYS 54 HN CYS 54 10.867 10.469 8.975 470 HA CYS 54 HA CYS 54 8.993 8.395 9.065 471 1HB CYS 54 HB2 CYS 54 8.517 11.306 9.736 472 2HB CYS 54 HB1 CYS 54 7.593 9.924 10.322 473 HG CYS 54 HG CYS 54 9.110 9.293 12.306 474 1H MET 1 HT1 MET 1 7.874 4.039 12.203 475 2H MET 1 HT2 MET 1 9.540 3.785 12.098 476 3H MET 1 HT3 MET 1 8.634 4.028 10.684 477 HA MET 1 HA MET 1 9.061 6.001 12.855 478 1HB MET 1 HB2 MET 1 10.366 7.251 11.158 479 2HB MET 1 HB1 MET 1 11.092 5.710 11.588 480 1HG MET 1 HG2 MET 1 10.148 4.729 9.540 481 2HG MET 1 HG1 MET 1 9.512 6.313 9.103 482 1HE MET 1 HE1 MET 1 14.034 5.444 9.500 483 2HE MET 1 HE2 MET 1 12.787 4.239 9.823 484 3HE MET 1 HE3 MET 1 12.959 5.636 10.884 485 H LYS 2 HN LYS 2 7.232 5.025 10.070 486 HA LYS 2 HA LYS 2 6.054 7.603 9.587 487 1HB LYS 2 HB2 LYS 2 5.091 4.885 8.710 488 2HB LYS 2 HB1 LYS 2 4.625 6.444 8.026 489 1HG LYS 2 HG2 LYS 2 7.060 6.773 7.490 490 2HG LYS 2 HG1 LYS 2 7.291 5.086 7.903 491 1HD LYS 2 HD2 LYS 2 7.019 5.123 5.569 492 2HD LYS 2 HD1 LYS 2 5.494 4.559 6.243 493 1HE LYS 2 HE2 LYS 2 5.067 6.117 4.456 494 2HE LYS 2 HE1 LYS 2 4.552 6.800 5.993 495 1HZ LYS 2 HZ1 LYS 2 5.672 8.465 4.719 496 2HZ LYS 2 HZ2 LYS 2 7.023 7.475 4.500 497 3HZ LYS 2 HZ3 LYS 2 6.654 8.063 6.043 498 H SER 3 HN SER 3 3.427 7.372 9.428 499 HA SER 3 HA SER 3 2.339 7.531 11.958 500 1HB SER 3 HB2 SER 3 0.995 6.702 9.375 501 2HB SER 3 HB1 SER 3 0.145 7.222 10.839 502 HG SER 3 HG SER 3 0.477 9.192 10.239 503 H ILE 4 HN ILE 4 2.083 4.790 9.714 504 HA ILE 4 HA ILE 4 1.172 3.021 11.807 505 HB ILE 4 HB ILE 4 2.185 2.045 9.150 506 1HG1 ILE 4 HG12 ILE 4 -0.532 3.313 9.605 507 2HG1 ILE 4 HG11 ILE 4 0.764 3.999 8.631 508 1HG2 ILE 4 HG21 ILE 4 1.477 0.433 10.851 509 2HG2 ILE 4 HG22 ILE 4 0.416 0.391 9.443 510 3HG2 ILE 4 HG23 ILE 4 -0.111 1.201 10.917 511 1HD1 ILE 4 HD11 ILE 4 -0.681 1.425 8.065 512 2HD1 ILE 4 HD12 ILE 4 0.611 2.126 7.087 513 3HD1 ILE 4 HD13 ILE 4 -0.932 2.967 7.246 514 H GLY 5 HN GLY 5 4.039 3.827 10.031 515 1HA GLY 5 HA2 GLY 5 6.254 3.634 10.522 516 2HA GLY 5 HA1 GLY 5 5.761 3.186 12.161 517 H VAL 6 HN VAL 6 4.530 1.290 9.581 518 HA VAL 6 HA VAL 6 6.397 -0.848 10.333 519 HB VAL 6 HB VAL 6 4.686 -2.450 9.532 520 1HG1 VAL 6 HG11 VAL 6 3.101 -2.152 11.409 521 2HG1 VAL 6 HG12 VAL 6 3.794 -0.553 11.694 522 3HG1 VAL 6 HG13 VAL 6 4.792 -1.995 11.888 523 1HG2 VAL 6 HG21 VAL 6 3.482 -1.063 7.969 524 2HG2 VAL 6 HG22 VAL 6 2.959 0.002 9.274 525 3HG2 VAL 6 HG23 VAL 6 2.375 -1.661 9.206 526 H VAL 7 HN VAL 7 7.644 -1.721 8.848 527 HA VAL 7 HA VAL 7 7.282 -0.843 6.067 528 HB VAL 7 HB VAL 7 9.430 -0.187 7.124 529 1HG1 VAL 7 HG11 VAL 7 9.991 -3.146 7.255 530 2HG1 VAL 7 HG12 VAL 7 9.689 -2.092 8.636 531 3HG1 VAL 7 HG13 VAL 7 11.124 -1.849 7.640 532 1HG2 VAL 7 HG21 VAL 7 10.913 -1.153 5.329 533 2HG2 VAL 7 HG22 VAL 7 9.437 -0.362 4.772 534 3HG2 VAL 7 HG23 VAL 7 9.522 -2.124 4.825 535 H ARG 8 HN ARG 8 7.287 -2.352 4.425 536 HA ARG 8 HA ARG 8 6.813 -5.100 5.363 537 1HB ARG 8 HB2 ARG 8 5.271 -3.344 3.631 538 2HB ARG 8 HB1 ARG 8 5.625 -4.888 2.864 539 1HG ARG 8 HG2 ARG 8 3.470 -4.762 4.154 540 2HG ARG 8 HG1 ARG 8 4.550 -6.099 4.574 541 1HD ARG 8 HD2 ARG 8 5.322 -4.970 6.527 542 2HD ARG 8 HD1 ARG 8 4.499 -3.482 6.062 543 HE ARG 8 HE ARG 8 2.455 -5.204 6.267 544 1HH1 ARG 8 HH11 ARG 8 5.153 -4.540 8.379 545 2HH1 ARG 8 HH12 ARG 8 4.273 -4.860 9.844 546 1HH2 ARG 8 HH21 ARG 8 1.274 -5.634 8.185 547 2HH2 ARG 8 HH22 ARG 8 2.049 -5.460 9.732 548 H LYS 9 HN LYS 9 7.316 -6.778 3.921 549 HA LYS 9 HA LYS 9 9.524 -6.111 2.101 550 1HB LYS 9 HB2 LYS 9 9.174 -8.629 3.746 551 2HB LYS 9 HB1 LYS 9 10.556 -8.233 2.728 552 1HG LYS 9 HG2 LYS 9 9.726 -6.904 5.302 553 2HG LYS 9 HG1 LYS 9 11.181 -7.855 5.003 554 1HD LYS 9 HD2 LYS 9 12.037 -6.156 3.516 555 2HD LYS 9 HD1 LYS 9 10.541 -5.234 3.641 556 1HE LYS 9 HE2 LYS 9 12.097 -4.159 5.046 557 2HE LYS 9 HE1 LYS 9 10.998 -5.038 6.109 558 1HZ LYS 9 HZ1 LYS 9 13.707 -5.949 5.290 559 2HZ LYS 9 HZ2 LYS 9 12.655 -6.782 6.325 560 3HZ LYS 9 HZ3 LYS 9 13.295 -5.289 6.799 561 H VAL 10 HN VAL 10 9.049 -6.523 0.075 562 HA VAL 10 HA VAL 10 6.634 -7.637 -0.760 563 HB VAL 10 HB VAL 10 9.201 -6.979 -2.191 564 1HG1 VAL 10 HG11 VAL 10 6.786 -8.269 -3.452 565 2HG1 VAL 10 HG12 VAL 10 8.398 -8.972 -3.323 566 3HG1 VAL 10 HG13 VAL 10 8.137 -7.544 -4.324 567 1HG2 VAL 10 HG21 VAL 10 7.674 -5.185 -1.554 568 2HG2 VAL 10 HG22 VAL 10 6.373 -5.972 -2.449 569 3HG2 VAL 10 HG23 VAL 10 7.784 -5.352 -3.306 570 H ASP 11 HN ASP 11 6.004 -9.607 -1.377 571 HA ASP 11 HA ASP 11 7.234 -11.943 -0.480 572 1HB ASP 11 HB2 ASP 11 4.900 -12.007 -0.927 573 2HB ASP 11 HB1 ASP 11 5.116 -11.423 -2.570 574 H GLU 12 HN GLU 12 6.605 -11.528 -3.906 575 HA GLU 12 HA GLU 12 9.410 -11.540 -4.627 576 1HB GLU 12 HB2 GLU 12 7.539 -13.664 -5.720 577 2HB GLU 12 HB1 GLU 12 9.239 -13.457 -6.117 578 1HG GLU 12 HG2 GLU 12 9.850 -14.048 -3.837 579 2HG GLU 12 HG1 GLU 12 8.146 -14.235 -3.429 580 H LEU 13 HN LEU 13 6.051 -11.701 -5.607 581 HA LEU 13 HA LEU 13 6.446 -10.448 -8.171 582 1HB LEU 13 HB2 LEU 13 3.852 -10.737 -6.684 583 2HB LEU 13 HB1 LEU 13 4.093 -10.639 -8.415 584 HG LEU 13 HG LEU 13 5.054 -12.964 -6.764 585 1HD1 LEU 13 HD11 LEU 13 2.477 -12.719 -8.302 586 2HD1 LEU 13 HD12 LEU 13 2.616 -12.637 -6.541 587 3HD1 LEU 13 HD13 LEU 13 3.045 -14.126 -7.397 588 1HD2 LEU 13 HD21 LEU 13 6.131 -12.726 -8.929 589 2HD2 LEU 13 HD22 LEU 13 4.559 -12.591 -9.717 590 3HD2 LEU 13 HD23 LEU 13 5.032 -14.107 -8.948 591 H GLY 14 HN GLY 14 5.764 -9.407 -4.957 592 1HA GLY 14 HA2 GLY 14 6.114 -6.927 -4.650 593 2HA GLY 14 HA1 GLY 14 4.911 -6.752 -5.933 594 H ARG 15 HN ARG 15 4.014 -9.403 -4.273 595 HA ARG 15 HA ARG 15 1.812 -8.185 -2.984 596 1HB ARG 15 HB2 ARG 15 2.997 -10.939 -2.537 597 2HB ARG 15 HB1 ARG 15 1.395 -10.416 -2.033 598 1HG ARG 15 HG2 ARG 15 1.166 -9.917 -4.628 599 2HG ARG 15 HG1 ARG 15 2.392 -11.190 -4.720 600 1HD ARG 15 HD2 ARG 15 0.927 -12.630 -3.331 601 2HD ARG 15 HD1 ARG 15 -0.302 -11.365 -3.371 602 HE ARG 15 HE ARG 15 0.662 -12.802 -5.762 603 1HH1 ARG 15 HH11 ARG 15 -1.909 -11.358 -3.867 604 2HH1 ARG 15 HH12 ARG 15 -3.119 -11.585 -5.099 605 1HH2 ARG 15 HH21 ARG 15 -0.928 -13.140 -7.367 606 2HH2 ARG 15 HH22 ARG 15 -2.562 -12.602 -7.086 607 H ILE 16 HN ILE 16 1.632 -7.353 -0.955 608 HA ILE 16 HA ILE 16 3.573 -8.178 1.074 609 HB ILE 16 HB ILE 16 4.356 -6.118 1.673 610 1HG1 ILE 16 HG12 ILE 16 1.859 -4.912 0.483 611 2HG1 ILE 16 HG11 ILE 16 2.317 -5.017 2.188 612 1HG2 ILE 16 HG21 ILE 16 4.963 -4.790 -0.284 613 2HG2 ILE 16 HG22 ILE 16 3.766 -5.660 -1.244 614 3HG2 ILE 16 HG23 ILE 16 5.155 -6.518 -0.578 615 1HD1 ILE 16 HD11 ILE 16 2.575 -2.760 1.300 616 2HD1 ILE 16 HD12 ILE 16 3.729 -3.359 0.107 617 3HD1 ILE 16 HD13 ILE 16 4.113 -3.441 1.828 618 H VAL 17 HN VAL 17 2.811 -7.007 3.248 619 HA VAL 17 HA VAL 17 -0.032 -7.690 3.410 620 HB VAL 17 HB VAL 17 1.022 -9.216 4.788 621 1HG1 VAL 17 HG11 VAL 17 2.907 -7.013 5.592 622 2HG1 VAL 17 HG12 VAL 17 3.271 -8.532 4.778 623 3HG1 VAL 17 HG13 VAL 17 2.794 -8.535 6.474 624 1HG2 VAL 17 HG21 VAL 17 -0.760 -8.175 6.020 625 2HG2 VAL 17 HG22 VAL 17 0.317 -6.891 6.575 626 3HG2 VAL 17 HG23 VAL 17 0.561 -8.549 7.129 627 H MET 18 HN MET 18 -1.234 -5.908 3.327 628 HA MET 18 HA MET 18 -0.429 -3.409 4.492 629 1HB MET 18 HB2 MET 18 -3.025 -4.414 3.333 630 2HB MET 18 HB1 MET 18 -2.908 -2.843 4.109 631 1HG MET 18 HG2 MET 18 -1.117 -3.612 1.833 632 2HG MET 18 HG1 MET 18 -2.726 -2.945 1.573 633 1HE MET 18 HE1 MET 18 0.814 -2.187 3.286 634 2HE MET 18 HE2 MET 18 1.055 -0.679 2.398 635 3HE MET 18 HE3 MET 18 0.773 -2.186 1.524 636 HA PRO 19 HA PRO 19 -1.834 -4.290 8.518 637 1HB PRO 19 HB2 PRO 19 -2.074 -1.818 9.551 638 2HB PRO 19 HB1 PRO 19 -0.513 -2.510 9.098 639 1HG PRO 19 HG2 PRO 19 -2.111 -0.422 7.754 640 2HG PRO 19 HG1 PRO 19 -0.366 -0.708 7.718 641 1HD PRO 19 HD2 PRO 19 -2.280 -1.439 5.743 642 2HD PRO 19 HD1 PRO 19 -0.552 -1.837 5.774 643 H ILE 20 HN ILE 20 -3.561 -4.410 9.932 644 HA ILE 20 HA ILE 20 -6.178 -4.105 9.047 645 HB ILE 20 HB ILE 20 -5.798 -5.474 10.956 646 1HG1 ILE 20 HG12 ILE 20 -7.351 -4.486 12.661 647 2HG1 ILE 20 HG11 ILE 20 -7.299 -2.974 11.756 648 1HG2 ILE 20 HG21 ILE 20 -4.662 -3.022 12.281 649 2HG2 ILE 20 HG22 ILE 20 -3.812 -4.509 11.855 650 3HG2 ILE 20 HG23 ILE 20 -5.031 -4.523 13.130 651 1HD1 ILE 20 HD11 ILE 20 -8.238 -4.111 9.814 652 2HD1 ILE 20 HD12 ILE 20 -9.293 -4.223 11.226 653 3HD1 ILE 20 HD13 ILE 20 -8.320 -5.612 10.740 654 H GLU 21 HN GLU 21 -3.980 -1.855 10.519 655 HA GLU 21 HA GLU 21 -5.675 0.256 11.157 656 1HB GLU 21 HB2 GLU 21 -2.912 0.542 9.977 657 2HB GLU 21 HB1 GLU 21 -3.712 1.619 11.118 658 1HG GLU 21 HG2 GLU 21 -2.927 -1.224 11.714 659 2HG GLU 21 HG1 GLU 21 -1.958 0.192 12.131 660 H LEU 22 HN LEU 22 -4.461 -0.822 8.044 661 HA LEU 22 HA LEU 22 -5.345 1.510 6.618 662 1HB LEU 22 HB2 LEU 22 -3.776 0.536 5.297 663 2HB LEU 22 HB1 LEU 22 -4.067 -1.061 5.957 664 HG LEU 22 HG LEU 22 -6.212 -0.052 4.199 665 1HD1 LEU 22 HD11 LEU 22 -4.235 0.836 3.047 666 2HD1 LEU 22 HD12 LEU 22 -4.990 -0.480 2.146 667 3HD1 LEU 22 HD13 LEU 22 -3.513 -0.773 3.065 668 1HD2 LEU 22 HD21 LEU 22 -6.121 -2.337 5.164 669 2HD2 LEU 22 HD22 LEU 22 -4.643 -2.630 4.240 670 3HD2 LEU 22 HD23 LEU 22 -6.163 -2.331 3.397 671 H ARG 23 HN ARG 23 -6.478 -1.731 7.284 672 HA ARG 23 HA ARG 23 -8.896 -1.527 5.811 673 1HB ARG 23 HB2 ARG 23 -8.337 -3.236 8.244 674 2HB ARG 23 HB1 ARG 23 -9.660 -3.462 7.105 675 1HG ARG 23 HG2 ARG 23 -7.835 -3.710 5.329 676 2HG ARG 23 HG1 ARG 23 -6.729 -3.913 6.686 677 1HD ARG 23 HD2 ARG 23 -9.240 -5.540 6.411 678 2HD ARG 23 HD1 ARG 23 -7.739 -6.022 5.626 679 HE ARG 23 HE ARG 23 -6.802 -5.990 7.989 680 1HH1 ARG 23 HH11 ARG 23 -10.167 -6.625 7.297 681 2HH1 ARG 23 HH12 ARG 23 -10.382 -7.704 8.641 682 1HH2 ARG 23 HH21 ARG 23 -7.071 -7.432 9.770 683 2HH2 ARG 23 HH22 ARG 23 -8.630 -8.153 10.038 684 H ARG 24 HN ARG 24 -7.932 -0.375 8.894 685 HA ARG 24 HA ARG 24 -10.607 0.230 9.830 686 1HB ARG 24 HB2 ARG 24 -7.849 0.878 10.905 687 2HB ARG 24 HB1 ARG 24 -9.345 1.363 11.701 688 1HG ARG 24 HG2 ARG 24 -9.938 -0.894 12.133 689 2HG ARG 24 HG1 ARG 24 -8.659 -1.498 11.078 690 1HD ARG 24 HD2 ARG 24 -7.767 -1.797 13.196 691 2HD ARG 24 HD1 ARG 24 -7.060 -0.268 12.682 692 HE ARG 24 HE ARG 24 -9.466 0.167 14.132 693 1HH1 ARG 24 HH11 ARG 24 -6.043 -0.532 14.493 694 2HH1 ARG 24 HH12 ARG 24 -6.007 -0.076 16.173 695 1HH2 ARG 24 HH21 ARG 24 -9.411 0.760 16.349 696 2HH2 ARG 24 HH22 ARG 24 -7.908 0.651 17.227 697 H ALA 25 HN ALA 25 -7.874 1.792 8.368 698 HA ALA 25 HA ALA 25 -8.563 4.491 8.673 699 1HB ALA 25 HB1 ALA 25 -7.012 3.076 6.500 700 2HB ALA 25 HB2 ALA 25 -6.349 3.775 7.989 701 3HB ALA 25 HB3 ALA 25 -7.036 4.828 6.750 702 H LEU 26 HN LEU 26 -9.073 2.234 6.020 703 HA LEU 26 HA LEU 26 -10.620 4.203 4.567 704 1HB LEU 26 HB2 LEU 26 -9.750 1.412 3.859 705 2HB LEU 26 HB1 LEU 26 -10.629 2.483 2.781 706 HG LEU 26 HG LEU 26 -7.922 3.152 3.928 707 1HD1 LEU 26 HD11 LEU 26 -8.602 1.903 1.264 708 2HD1 LEU 26 HD12 LEU 26 -7.736 1.127 2.590 709 3HD1 LEU 26 HD13 LEU 26 -7.013 2.497 1.747 710 1HD2 LEU 26 HD21 LEU 26 -9.261 5.051 3.161 711 2HD2 LEU 26 HD22 LEU 26 -9.492 4.266 1.599 712 3HD2 LEU 26 HD23 LEU 26 -7.879 4.778 2.099 713 H ASP 27 HN ASP 27 -11.194 0.759 4.710 714 HA ASP 27 HA ASP 27 -13.512 0.444 6.055 715 1HB ASP 27 HB2 ASP 27 -14.564 2.247 4.765 716 2HB ASP 27 HB1 ASP 27 -14.105 1.469 3.256 717 H ILE 28 HN ILE 28 -11.686 -1.238 5.786 718 HA ILE 28 HA ILE 28 -12.464 -3.087 3.625 719 HB ILE 28 HB ILE 28 -9.757 -2.877 4.969 720 1HG1 ILE 28 HG12 ILE 28 -8.897 -2.398 2.719 721 2HG1 ILE 28 HG11 ILE 28 -10.533 -2.496 2.051 722 1HG2 ILE 28 HG21 ILE 28 -9.131 -4.687 3.361 723 2HG2 ILE 28 HG22 ILE 28 -10.844 -4.883 3.003 724 3HG2 ILE 28 HG23 ILE 28 -10.242 -5.186 4.633 725 1HD1 ILE 28 HD11 ILE 28 -11.131 -0.571 3.471 726 2HD1 ILE 28 HD12 ILE 28 -9.897 -0.218 2.252 727 3HD1 ILE 28 HD13 ILE 28 -9.431 -0.443 3.941 728 H ALA 29 HN ALA 29 -13.156 -5.038 4.159 729 HA ALA 29 HA ALA 29 -13.331 -5.595 7.031 730 1HB ALA 29 HB1 ALA 29 -15.113 -6.527 4.802 731 2HB ALA 29 HB2 ALA 29 -15.437 -5.169 5.876 732 3HB ALA 29 HB3 ALA 29 -15.369 -6.813 6.524 733 H ILE 30 HN ILE 30 -13.036 -7.302 3.929 734 HA ILE 30 HA ILE 30 -11.185 -9.154 5.225 735 HB ILE 30 HB ILE 30 -13.449 -10.162 5.413 736 1HG1 ILE 30 HG12 ILE 30 -11.201 -11.454 5.014 737 2HG1 ILE 30 HG11 ILE 30 -12.732 -12.315 5.030 738 1HG2 ILE 30 HG21 ILE 30 -14.475 -9.271 3.422 739 2HG2 ILE 30 HG22 ILE 30 -14.566 -11.033 3.409 740 3HG2 ILE 30 HG23 ILE 30 -13.375 -10.203 2.405 741 1HD1 ILE 30 HD11 ILE 30 -11.293 -13.086 3.237 742 2HD1 ILE 30 HD12 ILE 30 -11.219 -11.452 2.575 743 3HD1 ILE 30 HD13 ILE 30 -12.749 -12.329 2.593 744 H LYS 31 HN LYS 31 -12.646 -7.884 2.314 745 HA LYS 31 HA LYS 31 -10.075 -8.197 0.941 746 1HB LYS 31 HB2 LYS 31 -12.761 -8.583 -0.403 747 2HB LYS 31 HB1 LYS 31 -11.182 -8.723 -1.157 748 1HG LYS 31 HG2 LYS 31 -10.758 -10.624 0.489 749 2HG LYS 31 HG1 LYS 31 -12.496 -10.576 0.789 750 1HD LYS 31 HD2 LYS 31 -12.062 -12.233 -0.894 751 2HD LYS 31 HD1 LYS 31 -12.865 -10.857 -1.656 752 1HE LYS 31 HE2 LYS 31 -10.684 -10.020 -2.414 753 2HE LYS 31 HE1 LYS 31 -9.899 -11.416 -1.677 754 1HZ LYS 31 HZ1 LYS 31 -10.214 -11.750 -4.039 755 2HZ LYS 31 HZ2 LYS 31 -11.882 -11.497 -3.887 756 3HZ LYS 31 HZ3 LYS 31 -11.160 -12.853 -3.166 757 H ASP 32 HN ASP 32 -13.254 -6.726 0.997 758 HA ASP 32 HA ASP 32 -14.091 -4.874 -0.016 759 1HB ASP 32 HB2 ASP 32 -12.246 -4.233 2.143 760 2HB ASP 32 HB1 ASP 32 -12.607 -2.854 1.088 761 H SER 33 HN SER 33 -11.415 -2.779 0.011 762 HA SER 33 HA SER 33 -10.584 -3.244 -2.708 763 1HB SER 33 HB2 SER 33 -12.291 -0.789 -2.201 764 2HB SER 33 HB1 SER 33 -11.599 -1.320 -3.738 765 HG SER 33 HG SER 33 -13.039 -3.332 -2.882 766 H ILE 34 HN ILE 34 -8.607 -2.291 -3.008 767 HA ILE 34 HA ILE 34 -8.104 0.293 -1.720 768 HB ILE 34 HB ILE 34 -5.986 -1.862 -1.651 769 1HG1 ILE 34 HG12 ILE 34 -6.433 -1.603 0.938 770 2HG1 ILE 34 HG11 ILE 34 -8.052 -1.161 0.404 771 1HG2 ILE 34 HG21 ILE 34 -5.175 0.413 -1.694 772 2HG2 ILE 34 HG22 ILE 34 -4.875 -0.317 -0.116 773 3HG2 ILE 34 HG23 ILE 34 -6.202 0.828 -0.321 774 1HD1 ILE 34 HD11 ILE 34 -7.948 -3.511 0.951 775 2HD1 ILE 34 HD12 ILE 34 -6.620 -3.742 -0.188 776 3HD1 ILE 34 HD13 ILE 34 -8.223 -3.302 -0.779 777 H GLU 35 HN GLU 35 -7.954 1.477 -3.579 778 HA GLU 35 HA GLU 35 -6.302 0.461 -5.787 779 1HB GLU 35 HB2 GLU 35 -8.520 1.403 -6.358 780 2HB GLU 35 HB1 GLU 35 -8.042 2.940 -5.646 781 1HG GLU 35 HG2 GLU 35 -6.176 3.031 -7.314 782 2HG GLU 35 HG1 GLU 35 -6.890 1.621 -8.091 783 H PHE 36 HN PHE 36 -4.390 1.466 -6.424 784 HA PHE 36 HA PHE 36 -3.497 3.505 -4.496 785 1HB PHE 36 HB2 PHE 36 -1.167 2.339 -5.530 786 2HB PHE 36 HB1 PHE 36 -1.813 2.210 -3.903 787 HD1 PHE 36 HD1 PHE 36 -0.945 0.461 -6.851 788 HD2 PHE 36 HD2 PHE 36 -3.515 0.346 -3.462 789 HE1 PHE 36 HE1 PHE 36 -1.207 -1.965 -7.132 790 HE2 PHE 36 HE2 PHE 36 -3.783 -2.080 -3.746 791 HZ PHE 36 HZ PHE 36 -2.626 -3.237 -5.580 792 H PHE 37 HN PHE 37 -1.931 4.951 -5.042 793 HA PHE 37 HA PHE 37 -1.891 5.876 -7.862 794 1HB PHE 37 HB2 PHE 37 -3.281 7.176 -6.134 795 2HB PHE 37 HB1 PHE 37 -1.778 7.516 -5.306 796 HD1 PHE 37 HD1 PHE 37 -0.120 9.039 -6.345 797 HD2 PHE 37 HD2 PHE 37 -3.972 8.383 -8.034 798 HE1 PHE 37 HE1 PHE 37 0.091 11.126 -7.637 799 HE2 PHE 37 HE2 PHE 37 -3.763 10.458 -9.336 800 HZ PHE 37 HZ PHE 37 -1.728 11.837 -9.135 801 H VAL 38 HN VAL 38 0.119 6.941 -8.417 802 HA VAL 38 HA VAL 38 2.263 6.470 -6.462 803 HB VAL 38 HB VAL 38 2.495 4.779 -8.194 804 1HG1 VAL 38 HG11 VAL 38 2.696 7.085 -10.127 805 2HG1 VAL 38 HG12 VAL 38 1.409 5.881 -10.058 806 3HG1 VAL 38 HG13 VAL 38 3.043 5.400 -10.514 807 1HG2 VAL 38 HG21 VAL 38 4.536 6.949 -7.993 808 2HG2 VAL 38 HG22 VAL 38 4.829 5.555 -9.036 809 3HG2 VAL 38 HG23 VAL 38 4.554 5.321 -7.309 810 H ASP 39 HN ASP 39 3.678 8.075 -6.191 811 HA ASP 39 HA ASP 39 3.420 10.451 -7.896 812 1HB ASP 39 HB2 ASP 39 2.033 10.933 -5.972 813 2HB ASP 39 HB1 ASP 39 3.311 10.420 -4.873 814 H GLY 40 HN GLY 40 5.358 10.201 -8.847 815 1HA GLY 40 HA2 GLY 40 7.634 10.433 -9.081 816 2HA GLY 40 HA1 GLY 40 7.692 10.979 -7.411 817 H ASP 41 HN ASP 41 7.544 9.309 -5.755 818 HA ASP 41 HA ASP 41 8.736 6.748 -6.610 819 1HB ASP 41 HB2 ASP 41 9.348 8.247 -4.054 820 2HB ASP 41 HB1 ASP 41 10.117 6.768 -4.623 821 H LYS 42 HN LYS 42 6.464 8.469 -4.701 822 HA LYS 42 HA LYS 42 6.148 6.397 -2.710 823 1HB LYS 42 HB2 LYS 42 5.932 8.321 -1.564 824 2HB LYS 42 HB1 LYS 42 5.534 9.240 -3.008 825 1HG LYS 42 HG2 LYS 42 3.229 8.268 -2.867 826 2HG LYS 42 HG1 LYS 42 3.681 7.630 -1.284 827 1HD LYS 42 HD2 LYS 42 2.517 9.716 -1.005 828 2HD LYS 42 HD1 LYS 42 4.208 9.934 -0.557 829 1HE LYS 42 HE2 LYS 42 3.423 10.509 -3.362 830 2HE LYS 42 HE1 LYS 42 2.926 11.661 -2.124 831 1HZ LYS 42 HZ1 LYS 42 5.050 12.234 -3.163 832 2HZ LYS 42 HZ2 LYS 42 5.727 10.781 -2.616 833 3HZ LYS 42 HZ3 LYS 42 5.225 11.954 -1.498 834 H ILE 43 HN ILE 43 4.064 5.558 -2.135 835 HA ILE 43 HA ILE 43 2.224 5.378 -4.432 836 HB ILE 43 HB ILE 43 2.715 3.266 -2.318 837 1HG1 ILE 43 HG12 ILE 43 4.639 3.688 -3.883 838 2HG1 ILE 43 HG11 ILE 43 3.988 2.051 -3.943 839 1HG2 ILE 43 HG21 ILE 43 0.450 3.309 -3.347 840 2HG2 ILE 43 HG22 ILE 43 1.348 1.823 -3.659 841 3HG2 ILE 43 HG23 ILE 43 1.207 3.050 -4.919 842 1HD1 ILE 43 HD11 ILE 43 2.970 2.418 -6.024 843 2HD1 ILE 43 HD12 ILE 43 4.566 3.167 -6.151 844 3HD1 ILE 43 HD13 ILE 43 3.139 4.171 -5.888 845 H ILE 44 HN ILE 44 0.000 5.429 -3.970 846 HA ILE 44 HA ILE 44 -0.716 6.386 -1.265 847 HB ILE 44 HB ILE 44 -1.730 7.549 -3.860 848 1HG1 ILE 44 HG12 ILE 44 0.269 8.690 -1.896 849 2HG1 ILE 44 HG11 ILE 44 0.640 8.075 -3.507 850 1HG2 ILE 44 HG21 ILE 44 -2.708 9.283 -2.439 851 2HG2 ILE 44 HG22 ILE 44 -2.107 8.450 -1.005 852 3HG2 ILE 44 HG23 ILE 44 -3.329 7.686 -2.021 853 1HD1 ILE 44 HD11 ILE 44 -1.095 10.456 -2.883 854 2HD1 ILE 44 HD12 ILE 44 -0.717 9.842 -4.493 855 3HD1 ILE 44 HD13 ILE 44 0.565 10.501 -3.477 856 H LEU 45 HN LEU 45 -2.232 5.058 -0.434 857 HA LEU 45 HA LEU 45 -3.896 3.532 -2.322 858 1HB LEU 45 HB2 LEU 45 -2.909 2.960 0.452 859 2HB LEU 45 HB1 LEU 45 -4.284 2.094 -0.201 860 HG LEU 45 HG LEU 45 -2.848 1.319 -2.084 861 1HD1 LEU 45 HD11 LEU 45 -0.609 2.512 -0.462 862 2HD1 LEU 45 HD12 LEU 45 -1.179 3.098 -2.025 863 3HD1 LEU 45 HD13 LEU 45 -0.437 1.502 -1.899 864 1HD2 LEU 45 HD21 LEU 45 -1.883 0.632 0.684 865 2HD2 LEU 45 HD22 LEU 45 -1.611 -0.328 -0.770 866 3HD2 LEU 45 HD23 LEU 45 -3.249 -0.099 -0.159 867 H LYS 46 HN LYS 46 -6.091 3.458 -2.196 868 HA LYS 46 HA LYS 46 -7.524 4.687 0.020 869 1HB LYS 46 HB2 LYS 46 -8.690 6.317 -1.286 870 2HB LYS 46 HB1 LYS 46 -6.979 6.548 -1.606 871 1HG LYS 46 HG2 LYS 46 -7.603 6.583 -3.753 872 2HG LYS 46 HG1 LYS 46 -7.669 4.825 -3.598 873 1HD LYS 46 HD2 LYS 46 -10.099 5.227 -2.798 874 2HD LYS 46 HD1 LYS 46 -9.910 6.820 -3.533 875 1HE LYS 46 HE2 LYS 46 -9.502 4.191 -4.955 876 2HE LYS 46 HE1 LYS 46 -10.966 5.168 -5.040 877 1HZ LYS 46 HZ1 LYS 46 -8.306 6.182 -5.842 878 2HZ LYS 46 HZ2 LYS 46 -9.812 6.878 -6.166 879 3HZ LYS 46 HZ3 LYS 46 -9.361 5.424 -6.924 880 H LYS 47 HN LYS 47 -9.732 4.059 0.100 881 HA LYS 47 HA LYS 47 -10.348 1.606 -1.297 882 1HB LYS 47 HB2 LYS 47 -11.061 2.440 1.130 883 2HB LYS 47 HB1 LYS 47 -12.433 3.096 0.247 884 1HG LYS 47 HG2 LYS 47 -11.659 0.212 -0.051 885 2HG LYS 47 HG1 LYS 47 -12.635 0.755 1.317 886 1HD LYS 47 HD2 LYS 47 -14.236 1.728 -0.349 887 2HD LYS 47 HD1 LYS 47 -13.294 0.945 -1.619 888 1HE LYS 47 HE2 LYS 47 -15.146 -0.471 -1.100 889 2HE LYS 47 HE1 LYS 47 -13.689 -1.232 -0.466 890 1HZ LYS 47 HZ1 LYS 47 -14.307 -0.182 1.731 891 2HZ LYS 47 HZ2 LYS 47 -15.311 -1.433 1.200 892 3HZ LYS 47 HZ3 LYS 47 -15.818 0.180 1.047 893 H TYR 48 HN TYR 48 -11.847 1.297 -2.896 894 HA TYR 48 HA TYR 48 -11.867 3.357 -4.824 895 1HB TYR 48 HB2 TYR 48 -11.809 0.782 -5.075 896 2HB TYR 48 HB1 TYR 48 -13.557 0.870 -4.932 897 HD1 TYR 48 HD1 TYR 48 -14.898 1.454 -6.801 898 HD2 TYR 48 HD2 TYR 48 -10.676 1.949 -6.980 899 HE1 TYR 48 HE1 TYR 48 -15.051 1.826 -9.229 900 HE2 TYR 48 HE2 TYR 48 -10.817 2.325 -9.404 901 HH TYR 48 HH TYR 48 -13.821 2.806 -11.036 902 H LYS 49 HN LYS 49 -14.539 1.740 -3.154 903 HA LYS 49 HA LYS 49 -16.580 3.024 -4.520 904 1HB LYS 49 HB2 LYS 49 -16.712 0.880 -3.254 905 2HB LYS 49 HB1 LYS 49 -16.784 1.821 -1.772 906 1HG LYS 49 HG2 LYS 49 -19.003 1.109 -2.500 907 2HG LYS 49 HG1 LYS 49 -18.847 2.868 -2.495 908 1HD LYS 49 HD2 LYS 49 -20.013 2.109 -4.500 909 2HD LYS 49 HD1 LYS 49 -18.461 2.838 -4.915 910 1HE LYS 49 HE2 LYS 49 -17.478 0.564 -5.035 911 2HE LYS 49 HE1 LYS 49 -19.081 -0.110 -4.742 912 1HZ LYS 49 HZ1 LYS 49 -18.598 -0.103 -7.083 913 2HZ LYS 49 HZ2 LYS 49 -18.274 1.562 -7.060 914 3HZ LYS 49 HZ3 LYS 49 -19.849 1.001 -6.769 915 HA PRO 50 HA PRO 50 -17.630 5.733 -0.714 916 1HB PRO 50 HB2 PRO 50 -15.254 5.976 0.969 917 2HB PRO 50 HB1 PRO 50 -16.885 5.458 1.401 918 1HG PRO 50 HG2 PRO 50 -14.810 3.745 1.335 919 2HG PRO 50 HG1 PRO 50 -16.460 3.253 0.906 920 1HD PRO 50 HD2 PRO 50 -14.167 3.966 -0.897 921 2HD PRO 50 HD1 PRO 50 -15.317 2.616 -1.020 922 H HIS 51 HN HIS 51 -15.380 6.231 -2.902 923 HA HIS 51 HA HIS 51 -15.369 9.105 -2.398 924 1HB HIS 51 HB2 HIS 51 -12.877 7.499 -2.993 925 2HB HIS 51 HB1 HIS 51 -12.972 9.244 -3.196 926 HD1 HIS 51 HD1 HIS 51 -13.107 10.690 -1.026 927 HD2 HIS 51 HD2 HIS 51 -12.617 6.608 -0.371 928 HE1 HIS 51 HE1 HIS 51 -12.448 10.461 1.389 929 HE2 HIS 51 HE2 HIS 51 -12.383 7.976 1.816 930 H GLY 52 HN GLY 52 -14.344 6.569 -4.683 931 1HA GLY 52 HA2 GLY 52 -14.466 6.442 -6.963 932 2HA GLY 52 HA1 GLY 52 -15.972 7.341 -6.804 933 H VAL 53 HN VAL 53 -12.485 7.769 -6.788 934 HA VAL 53 HA VAL 53 -12.558 9.925 -8.650 935 HB VAL 53 HB VAL 53 -13.286 11.113 -6.590 936 1HG1 VAL 53 HG11 VAL 53 -10.577 10.325 -5.524 937 2HG1 VAL 53 HG12 VAL 53 -12.145 9.795 -4.912 938 3HG1 VAL 53 HG13 VAL 53 -11.671 11.489 -4.776 939 1HG2 VAL 53 HG21 VAL 53 -11.613 12.933 -6.711 940 2HG2 VAL 53 HG22 VAL 53 -12.145 12.367 -8.294 941 3HG2 VAL 53 HG23 VAL 53 -10.573 11.873 -7.665 942 H CYS 54 HN CYS 54 -10.498 10.462 -9.395 943 HA CYS 54 HA CYS 54 -8.597 8.377 -9.244 944 1HB CYS 54 HB2 CYS 54 -8.183 11.167 -10.330 945 2HB CYS 54 HB1 CYS 54 -7.275 9.716 -10.754 946 HG CYS 54 HG CYS 54 -9.999 10.922 -12.122 Start of MODEL 8 1 1H MET 1 HT1 MET 1 -7.997 7.820 -15.999 2 2H MET 1 HT2 MET 1 -6.323 8.068 -15.851 3 3H MET 1 HT3 MET 1 -7.409 9.043 -14.987 4 HA MET 1 HA MET 1 -8.109 7.231 -13.644 5 1HB MET 1 HB2 MET 1 -6.264 5.619 -15.408 6 2HB MET 1 HB1 MET 1 -6.872 5.035 -13.866 7 1HG MET 1 HG2 MET 1 -9.154 5.196 -14.688 8 2HG MET 1 HG1 MET 1 -8.566 5.825 -16.225 9 1HE MET 1 HE1 MET 1 -7.001 2.963 -14.008 10 2HE MET 1 HE2 MET 1 -7.767 1.538 -14.711 11 3HE MET 1 HE3 MET 1 -8.740 2.720 -13.837 12 H LYS 2 HN LYS 2 -6.494 5.887 -12.106 13 HA LYS 2 HA LYS 2 -4.770 7.796 -10.939 14 1HB LYS 2 HB2 LYS 2 -4.797 4.795 -10.520 15 2HB LYS 2 HB1 LYS 2 -4.049 5.984 -9.461 16 1HG LYS 2 HG2 LYS 2 -6.940 6.292 -10.018 17 2HG LYS 2 HG1 LYS 2 -6.450 4.935 -9.007 18 1HD LYS 2 HD2 LYS 2 -7.035 6.929 -7.689 19 2HD LYS 2 HD1 LYS 2 -5.359 6.442 -7.456 20 1HE LYS 2 HE2 LYS 2 -4.564 8.208 -8.811 21 2HE LYS 2 HE1 LYS 2 -6.184 8.572 -9.411 22 1HZ LYS 2 HZ1 LYS 2 -5.060 9.968 -7.484 23 2HZ LYS 2 HZ2 LYS 2 -5.750 8.749 -6.524 24 3HZ LYS 2 HZ3 LYS 2 -6.731 9.690 -7.536 25 H SER 3 HN SER 3 -2.410 7.184 -10.448 26 HA SER 3 HA SER 3 -0.941 7.193 -12.805 27 1HB SER 3 HB2 SER 3 -0.116 6.462 -9.987 28 2HB SER 3 HB1 SER 3 1.026 6.707 -11.314 29 HG SER 3 HG SER 3 0.844 8.624 -10.185 30 H ILE 4 HN ILE 4 -1.759 4.563 -10.625 31 HA ILE 4 HA ILE 4 -0.535 2.638 -12.457 32 HB ILE 4 HB ILE 4 -1.815 1.852 -9.864 33 1HG1 ILE 4 HG12 ILE 4 0.952 3.061 -10.145 34 2HG1 ILE 4 HG11 ILE 4 -0.414 3.812 -9.322 35 1HG2 ILE 4 HG21 ILE 4 -0.048 0.154 -9.905 36 2HG2 ILE 4 HG22 ILE 4 0.611 0.877 -11.372 37 3HG2 ILE 4 HG23 ILE 4 -0.988 0.133 -11.398 38 1HD1 ILE 4 HD11 ILE 4 0.959 1.259 -8.506 39 2HD1 ILE 4 HD12 ILE 4 -0.407 2.009 -7.678 40 3HD1 ILE 4 HD13 ILE 4 1.149 2.837 -7.744 41 H GLY 5 HN GLY 5 -3.565 3.344 -10.755 42 1HA GLY 5 HA2 GLY 5 -5.726 3.245 -11.600 43 2HA GLY 5 HA1 GLY 5 -5.076 2.580 -13.092 44 H VAL 6 HN VAL 6 -4.224 1.151 -10.064 45 HA VAL 6 HA VAL 6 -6.029 -1.086 -10.675 46 HB VAL 6 HB VAL 6 -4.333 -2.632 -9.758 47 1HG1 VAL 6 HG11 VAL 6 -2.777 -2.536 -11.676 48 2HG1 VAL 6 HG12 VAL 6 -3.428 -0.948 -12.088 49 3HG1 VAL 6 HG13 VAL 6 -4.470 -2.371 -12.150 50 1HG2 VAL 6 HG21 VAL 6 -3.112 -1.067 -8.346 51 2HG2 VAL 6 HG22 VAL 6 -2.527 -0.219 -9.777 52 3HG2 VAL 6 HG23 VAL 6 -2.025 -1.883 -9.469 53 H VAL 7 HN VAL 7 -7.258 -1.797 -9.159 54 HA VAL 7 HA VAL 7 -6.835 -0.884 -6.397 55 HB VAL 7 HB VAL 7 -8.974 -0.147 -7.320 56 1HG1 VAL 7 HG11 VAL 7 -10.711 -1.761 -7.959 57 2HG1 VAL 7 HG12 VAL 7 -9.544 -3.071 -7.778 58 3HG1 VAL 7 HG13 VAL 7 -9.305 -1.841 -9.019 59 1HG2 VAL 7 HG21 VAL 7 -10.487 -1.150 -5.626 60 2HG2 VAL 7 HG22 VAL 7 -8.937 -0.630 -4.964 61 3HG2 VAL 7 HG23 VAL 7 -9.234 -2.341 -5.268 62 H ARG 8 HN ARG 8 -6.817 -2.383 -4.759 63 HA ARG 8 HA ARG 8 -6.454 -5.162 -5.662 64 1HB ARG 8 HB2 ARG 8 -4.814 -3.427 -3.979 65 2HB ARG 8 HB1 ARG 8 -5.159 -4.984 -3.232 66 1HG ARG 8 HG2 ARG 8 -3.048 -4.837 -4.605 67 2HG ARG 8 HG1 ARG 8 -4.146 -6.168 -4.994 68 1HD ARG 8 HD2 ARG 8 -5.035 -4.964 -6.874 69 2HD ARG 8 HD1 ARG 8 -4.093 -3.536 -6.464 70 HE ARG 8 HE ARG 8 -2.137 -5.229 -6.867 71 1HH1 ARG 8 HH11 ARG 8 -5.130 -4.923 -8.656 72 2HH1 ARG 8 HH12 ARG 8 -4.441 -5.435 -10.161 73 1HH2 ARG 8 HH21 ARG 8 -1.214 -5.891 -8.861 74 2HH2 ARG 8 HH22 ARG 8 -2.207 -5.980 -10.283 75 H LYS 9 HN LYS 9 -6.982 -6.818 -4.177 76 HA LYS 9 HA LYS 9 -9.035 -6.013 -2.230 77 1HB LYS 9 HB2 LYS 9 -9.033 -8.645 -3.698 78 2HB LYS 9 HB1 LYS 9 -10.362 -7.874 -2.841 79 1HG LYS 9 HG2 LYS 9 -9.145 -6.894 -5.423 80 2HG LYS 9 HG1 LYS 9 -10.649 -7.799 -5.279 81 1HD LYS 9 HD2 LYS 9 -11.725 -6.007 -4.156 82 2HD LYS 9 HD1 LYS 9 -10.205 -5.147 -3.902 83 1HE LYS 9 HE2 LYS 9 -11.494 -4.106 -5.676 84 2HE LYS 9 HE1 LYS 9 -10.004 -4.791 -6.321 85 1HZ LYS 9 HZ1 LYS 9 -12.711 -6.019 -6.496 86 2HZ LYS 9 HZ2 LYS 9 -11.284 -6.701 -7.106 87 3HZ LYS 9 HZ3 LYS 9 -11.880 -5.254 -7.761 88 H VAL 10 HN VAL 10 -8.537 -6.516 -0.228 89 HA VAL 10 HA VAL 10 -6.114 -7.651 0.537 90 HB VAL 10 HB VAL 10 -8.675 -7.185 2.064 91 1HG1 VAL 10 HG11 VAL 10 -6.025 -8.090 3.187 92 2HG1 VAL 10 HG12 VAL 10 -7.529 -9.014 3.178 93 3HG1 VAL 10 HG13 VAL 10 -7.408 -7.539 4.134 94 1HG2 VAL 10 HG21 VAL 10 -7.421 -5.350 3.059 95 2HG2 VAL 10 HG22 VAL 10 -7.474 -5.208 1.302 96 3HG2 VAL 10 HG23 VAL 10 -6.009 -5.785 2.096 97 H ASP 11 HN ASP 11 -5.524 -9.638 1.340 98 HA ASP 11 HA ASP 11 -6.853 -11.903 0.257 99 1HB ASP 11 HB2 ASP 11 -4.371 -11.683 0.722 100 2HB ASP 11 HB1 ASP 11 -4.747 -11.895 2.429 101 H GLU 12 HN GLU 12 -6.037 -11.325 3.637 102 HA GLU 12 HA GLU 12 -8.777 -11.548 4.536 103 1HB GLU 12 HB2 GLU 12 -6.677 -13.524 5.480 104 2HB GLU 12 HB1 GLU 12 -8.259 -13.310 6.207 105 1HG GLU 12 HG2 GLU 12 -9.270 -14.011 4.052 106 2HG GLU 12 HG1 GLU 12 -7.642 -14.360 3.469 107 H LEU 13 HN LEU 13 -5.406 -11.700 5.514 108 HA LEU 13 HA LEU 13 -5.844 -10.437 8.041 109 1HB LEU 13 HB2 LEU 13 -3.189 -10.833 6.701 110 2HB LEU 13 HB1 LEU 13 -3.537 -10.795 8.419 111 HG LEU 13 HG LEU 13 -4.947 -12.966 7.793 112 1HD1 LEU 13 HD11 LEU 13 -3.628 -14.289 6.121 113 2HD1 LEU 13 HD12 LEU 13 -2.842 -12.779 5.640 114 3HD1 LEU 13 HD13 LEU 13 -4.586 -12.973 5.443 115 1HD2 LEU 13 HD21 LEU 13 -3.158 -12.861 9.438 116 2HD2 LEU 13 HD22 LEU 13 -1.955 -12.920 8.149 117 3HD2 LEU 13 HD23 LEU 13 -3.008 -14.305 8.438 118 H GLY 14 HN GLY 14 -5.138 -9.353 4.879 119 1HA GLY 14 HA2 GLY 14 -5.402 -6.812 4.782 120 2HA GLY 14 HA1 GLY 14 -4.028 -6.822 5.878 121 H ARG 15 HN ARG 15 -3.267 -9.363 4.163 122 HA ARG 15 HA ARG 15 -1.284 -8.135 2.616 123 1HB ARG 15 HB2 ARG 15 -2.528 -10.843 2.097 124 2HB ARG 15 HB1 ARG 15 -0.968 -10.286 1.522 125 1HG ARG 15 HG2 ARG 15 -0.448 -10.052 4.081 126 2HG ARG 15 HG1 ARG 15 -1.787 -11.215 4.217 127 1HD ARG 15 HD2 ARG 15 -0.681 -12.748 2.732 128 2HD ARG 15 HD1 ARG 15 0.590 -11.578 2.393 129 HE ARG 15 HE ARG 15 0.261 -12.559 5.143 130 1HH1 ARG 15 HH11 ARG 15 2.129 -12.414 2.174 131 2HH1 ARG 15 HH12 ARG 15 3.540 -13.150 2.865 132 1HH2 ARG 15 HH21 ARG 15 2.134 -13.548 6.062 133 2HH2 ARG 15 HH22 ARG 15 3.537 -13.809 5.068 134 H ILE 16 HN ILE 16 -1.262 -7.289 0.609 135 HA ILE 16 HA ILE 16 -3.311 -8.138 -1.295 136 HB ILE 16 HB ILE 16 -4.061 -6.067 -1.928 137 1HG1 ILE 16 HG12 ILE 16 -1.485 -4.921 -0.850 138 2HG1 ILE 16 HG11 ILE 16 -2.018 -5.026 -2.534 139 1HG2 ILE 16 HG21 ILE 16 -4.556 -4.681 0.032 140 2HG2 ILE 16 HG22 ILE 16 -3.361 -5.584 0.963 141 3HG2 ILE 16 HG23 ILE 16 -4.803 -6.398 0.354 142 1HD1 ILE 16 HD11 ILE 16 -2.178 -2.751 -1.675 143 2HD1 ILE 16 HD12 ILE 16 -3.263 -3.303 -0.398 144 3HD1 ILE 16 HD13 ILE 16 -3.768 -3.397 -2.086 145 H VAL 17 HN VAL 17 -2.581 -7.045 -3.542 146 HA VAL 17 HA VAL 17 0.239 -7.826 -3.753 147 HB VAL 17 HB VAL 17 -1.058 -9.379 -4.983 148 1HG1 VAL 17 HG11 VAL 17 -2.649 -8.732 -6.747 149 2HG1 VAL 17 HG12 VAL 17 -2.444 -7.040 -6.287 150 3HG1 VAL 17 HG13 VAL 17 -3.148 -8.186 -5.146 151 1HG2 VAL 17 HG21 VAL 17 0.060 -7.371 -6.929 152 2HG2 VAL 17 HG22 VAL 17 -0.294 -9.062 -7.281 153 3HG2 VAL 17 HG23 VAL 17 0.965 -8.647 -6.118 154 H MET 18 HN MET 18 1.370 -5.984 -3.615 155 HA MET 18 HA MET 18 0.512 -3.572 -4.921 156 1HB MET 18 HB2 MET 18 3.237 -4.235 -3.773 157 2HB MET 18 HB1 MET 18 2.666 -2.634 -4.229 158 1HG MET 18 HG2 MET 18 1.761 -4.352 -1.941 159 2HG MET 18 HG1 MET 18 2.502 -2.754 -1.887 160 1HE MET 18 HE1 MET 18 0.926 -1.090 -4.054 161 2HE MET 18 HE2 MET 18 1.260 -0.518 -2.420 162 3HE MET 18 HE3 MET 18 -0.380 -0.426 -3.069 163 HA PRO 19 HA PRO 19 2.002 -4.557 -8.841 164 1HB PRO 19 HB2 PRO 19 2.241 -2.158 -10.010 165 2HB PRO 19 HB1 PRO 19 0.671 -2.798 -9.505 166 1HG PRO 19 HG2 PRO 19 2.398 -0.751 -8.200 167 2HG PRO 19 HG1 PRO 19 0.632 -0.821 -8.320 168 1HD PRO 19 HD2 PRO 19 2.120 -1.578 -6.096 169 2HD PRO 19 HD1 PRO 19 0.448 -2.072 -6.430 170 H ILE 20 HN ILE 20 3.732 -4.652 -10.270 171 HA ILE 20 HA ILE 20 6.339 -4.420 -9.323 172 HB ILE 20 HB ILE 20 5.917 -5.786 -11.230 173 1HG1 ILE 20 HG12 ILE 20 7.550 -4.924 -12.908 174 2HG1 ILE 20 HG11 ILE 20 7.546 -3.379 -12.066 175 1HG2 ILE 20 HG21 ILE 20 4.890 -3.285 -12.548 176 2HG2 ILE 20 HG22 ILE 20 4.010 -4.773 -12.191 177 3HG2 ILE 20 HG23 ILE 20 5.262 -4.768 -13.433 178 1HD1 ILE 20 HD11 ILE 20 8.459 -4.444 -10.085 179 2HD1 ILE 20 HD12 ILE 20 9.487 -4.727 -11.490 180 3HD1 ILE 20 HD13 ILE 20 8.427 -6.007 -10.899 181 H GLU 21 HN GLU 21 4.227 -2.124 -10.869 182 HA GLU 21 HA GLU 21 6.035 -0.085 -11.488 183 1HB GLU 21 HB2 GLU 21 3.206 0.317 -10.526 184 2HB GLU 21 HB1 GLU 21 4.121 1.315 -11.657 185 1HG GLU 21 HG2 GLU 21 3.318 -1.537 -12.171 186 2HG GLU 21 HG1 GLU 21 2.405 -0.126 -12.720 187 H LEU 22 HN LEU 22 4.613 -1.051 -8.451 188 HA LEU 22 HA LEU 22 5.399 1.321 -7.037 189 1HB LEU 22 HB2 LEU 22 3.735 0.372 -5.819 190 2HB LEU 22 HB1 LEU 22 4.080 -1.234 -6.416 191 HG LEU 22 HG LEU 22 6.042 -0.140 -4.487 192 1HD1 LEU 22 HD11 LEU 22 4.641 -0.665 -2.565 193 2HD1 LEU 22 HD12 LEU 22 3.280 -1.000 -3.635 194 3HD1 LEU 22 HD13 LEU 22 3.929 0.636 -3.520 195 1HD2 LEU 22 HD21 LEU 22 6.206 -2.404 -5.431 196 2HD2 LEU 22 HD22 LEU 22 4.625 -2.793 -4.753 197 3HD2 LEU 22 HD23 LEU 22 5.980 -2.438 -3.679 198 H ARG 23 HN ARG 23 6.582 -1.919 -7.586 199 HA ARG 23 HA ARG 23 8.909 -1.715 -5.968 200 1HB ARG 23 HB2 ARG 23 8.481 -3.430 -8.430 201 2HB ARG 23 HB1 ARG 23 9.735 -3.660 -7.218 202 1HG ARG 23 HG2 ARG 23 7.863 -3.952 -5.537 203 2HG ARG 23 HG1 ARG 23 6.772 -4.058 -6.921 204 1HD ARG 23 HD2 ARG 23 9.207 -5.796 -6.707 205 2HD ARG 23 HD1 ARG 23 7.702 -6.238 -5.912 206 HE ARG 23 HE ARG 23 6.875 -5.843 -8.419 207 1HH1 ARG 23 HH11 ARG 23 9.668 -7.548 -7.198 208 2HH1 ARG 23 HH12 ARG 23 9.634 -8.769 -8.427 209 1HH2 ARG 23 HH21 ARG 23 6.818 -7.479 -10.058 210 2HH2 ARG 23 HH22 ARG 23 8.025 -8.728 -10.055 211 H ARG 24 HN ARG 24 8.113 -0.608 -9.127 212 HA ARG 24 HA ARG 24 10.845 -0.069 -9.930 213 1HB ARG 24 HB2 ARG 24 8.180 0.578 -11.201 214 2HB ARG 24 HB1 ARG 24 9.743 0.892 -11.954 215 1HG ARG 24 HG2 ARG 24 10.221 -1.439 -12.100 216 2HG ARG 24 HG1 ARG 24 8.819 -1.846 -11.105 217 1HD ARG 24 HD2 ARG 24 8.109 -2.302 -13.279 218 2HD ARG 24 HD1 ARG 24 7.438 -0.708 -12.948 219 HE ARG 24 HE ARG 24 9.998 -0.581 -14.221 220 1HH1 ARG 24 HH11 ARG 24 6.540 -0.915 -14.771 221 2HH1 ARG 24 HH12 ARG 24 6.650 -0.462 -16.447 222 1HH2 ARG 24 HH21 ARG 24 10.123 -0.023 -16.442 223 2HH2 ARG 24 HH22 ARG 24 8.671 0.027 -17.395 224 H ALA 25 HN ALA 25 8.055 1.612 -8.698 225 HA ALA 25 HA ALA 25 8.951 4.259 -9.174 226 1HB ALA 25 HB1 ALA 25 6.598 3.720 -8.784 227 2HB ALA 25 HB2 ALA 25 7.177 4.915 -7.623 228 3HB ALA 25 HB3 ALA 25 6.980 3.230 -7.132 229 H LEU 26 HN LEU 26 8.925 2.176 -6.343 230 HA LEU 26 HA LEU 26 10.419 4.064 -4.764 231 1HB LEU 26 HB2 LEU 26 9.507 1.241 -4.254 232 2HB LEU 26 HB1 LEU 26 10.359 2.214 -3.068 233 HG LEU 26 HG LEU 26 7.698 2.987 -4.268 234 1HD1 LEU 26 HD11 LEU 26 6.720 2.253 -2.144 235 2HD1 LEU 26 HD12 LEU 26 8.290 1.628 -1.640 236 3HD1 LEU 26 HD13 LEU 26 7.456 0.912 -3.020 237 1HD2 LEU 26 HD21 LEU 26 7.605 4.535 -2.373 238 2HD2 LEU 26 HD22 LEU 26 9.016 4.850 -3.383 239 3HD2 LEU 26 HD23 LEU 26 9.202 3.997 -1.851 240 H ASP 27 HN ASP 27 11.113 0.660 -4.827 241 HA ASP 27 HA ASP 27 13.390 0.379 -6.260 242 1HB ASP 27 HB2 ASP 27 14.359 2.254 -4.902 243 2HB ASP 27 HB1 ASP 27 14.140 1.273 -3.458 244 H ILE 28 HN ILE 28 11.589 -1.319 -5.903 245 HA ILE 28 HA ILE 28 12.474 -3.154 -3.774 246 HB ILE 28 HB ILE 28 9.769 -2.916 -5.097 247 1HG1 ILE 28 HG12 ILE 28 9.060 -2.912 -2.626 248 2HG1 ILE 28 HG11 ILE 28 10.759 -2.640 -2.256 249 1HG2 ILE 28 HG21 ILE 28 10.787 -5.139 -3.338 250 2HG2 ILE 28 HG22 ILE 28 10.301 -5.258 -5.030 251 3HG2 ILE 28 HG23 ILE 28 9.100 -4.894 -3.791 252 1HD1 ILE 28 HD11 ILE 28 10.710 -0.578 -3.540 253 2HD1 ILE 28 HD12 ILE 28 9.495 -0.570 -2.260 254 3HD1 ILE 28 HD13 ILE 28 9.015 -0.859 -3.933 255 H ALA 29 HN ALA 29 13.291 -5.067 -4.320 256 HA ALA 29 HA ALA 29 13.430 -5.666 -7.186 257 1HB ALA 29 HB1 ALA 29 15.566 -5.444 -6.021 258 2HB ALA 29 HB2 ALA 29 15.336 -7.072 -6.657 259 3HB ALA 29 HB3 ALA 29 15.104 -6.757 -4.938 260 H ILE 30 HN ILE 30 13.032 -7.362 -4.109 261 HA ILE 30 HA ILE 30 11.127 -9.167 -5.392 262 HB ILE 30 HB ILE 30 13.380 -10.215 -5.597 263 1HG1 ILE 30 HG12 ILE 30 11.095 -11.460 -5.202 264 2HG1 ILE 30 HG11 ILE 30 12.610 -12.350 -5.256 265 1HG2 ILE 30 HG21 ILE 30 14.434 -11.160 -3.566 266 2HG2 ILE 30 HG22 ILE 30 13.296 -10.233 -2.588 267 3HG2 ILE 30 HG23 ILE 30 14.456 -9.396 -3.620 268 1HD1 ILE 30 HD11 ILE 30 12.658 -12.421 -2.824 269 2HD1 ILE 30 HD12 ILE 30 11.165 -13.118 -3.456 270 3HD1 ILE 30 HD13 ILE 30 11.159 -11.495 -2.763 271 H LYS 31 HN LYS 31 12.640 -7.900 -2.516 272 HA LYS 31 HA LYS 31 10.105 -8.231 -1.090 273 1HB LYS 31 HB2 LYS 31 12.801 -8.633 0.227 274 2HB LYS 31 HB1 LYS 31 11.219 -8.850 0.961 275 1HG LYS 31 HG2 LYS 31 10.881 -10.667 -0.833 276 2HG LYS 31 HG1 LYS 31 12.634 -10.589 -1.016 277 1HD LYS 31 HD2 LYS 31 12.258 -12.309 0.535 278 2HD LYS 31 HD1 LYS 31 12.747 -10.920 1.507 279 1HE LYS 31 HE2 LYS 31 10.423 -10.449 2.042 280 2HE LYS 31 HE1 LYS 31 9.897 -11.781 1.012 281 1HZ LYS 31 HZ1 LYS 31 9.867 -12.680 3.130 282 2HZ LYS 31 HZ2 LYS 31 11.287 -11.893 3.609 283 3HZ LYS 31 HZ3 LYS 31 11.368 -13.205 2.535 284 H ASP 32 HN ASP 32 13.294 -6.759 -1.129 285 HA ASP 32 HA ASP 32 14.122 -4.902 -0.112 286 1HB ASP 32 HB2 ASP 32 12.292 -4.289 -2.284 287 2HB ASP 32 HB1 ASP 32 12.642 -2.895 -1.235 288 H SER 33 HN SER 33 11.469 -2.774 -0.147 289 HA SER 33 HA SER 33 10.569 -3.243 2.545 290 1HB SER 33 HB2 SER 33 12.407 -0.862 2.120 291 2HB SER 33 HB1 SER 33 11.581 -1.292 3.614 292 HG SER 33 HG SER 33 12.998 -3.401 2.816 293 H ILE 34 HN ILE 34 8.606 -2.267 2.804 294 HA ILE 34 HA ILE 34 8.144 0.330 1.505 295 HB ILE 34 HB ILE 34 5.941 -1.726 1.527 296 1HG1 ILE 34 HG12 ILE 34 6.462 -1.655 -1.076 297 2HG1 ILE 34 HG11 ILE 34 8.098 -1.346 -0.506 298 1HG2 ILE 34 HG21 ILE 34 6.353 0.855 0.031 299 2HG2 ILE 34 HG22 ILE 34 5.265 0.583 1.393 300 3HG2 ILE 34 HG23 ILE 34 4.963 -0.217 -0.149 301 1HD1 ILE 34 HD11 ILE 34 7.746 -3.705 -0.923 302 2HD1 ILE 34 HD12 ILE 34 6.394 -3.717 0.214 303 3HD1 ILE 34 HD13 ILE 34 8.032 -3.410 0.793 304 H GLU 35 HN GLU 35 7.925 1.597 3.260 305 HA GLU 35 HA GLU 35 6.374 0.655 5.572 306 1HB GLU 35 HB2 GLU 35 8.613 1.584 5.994 307 2HB GLU 35 HB1 GLU 35 8.145 3.081 5.204 308 1HG GLU 35 HG2 GLU 35 6.446 3.440 6.949 309 2HG GLU 35 HG1 GLU 35 7.003 1.975 7.757 310 H PHE 36 HN PHE 36 4.517 1.759 6.280 311 HA PHE 36 HA PHE 36 3.516 3.724 4.334 312 1HB PHE 36 HB2 PHE 36 1.286 2.423 5.545 313 2HB PHE 36 HB1 PHE 36 1.754 2.481 3.853 314 HD1 PHE 36 HD1 PHE 36 1.563 0.460 6.820 315 HD2 PHE 36 HD2 PHE 36 3.245 0.732 2.924 316 HE1 PHE 36 HE1 PHE 36 2.002 -1.958 6.845 317 HE2 PHE 36 HE2 PHE 36 3.688 -1.686 2.943 318 HZ PHE 36 HZ PHE 36 3.065 -3.030 4.905 319 H PHE 37 HN PHE 37 1.984 5.196 4.958 320 HA PHE 37 HA PHE 37 1.785 5.881 7.828 321 1HB PHE 37 HB2 PHE 37 3.584 7.216 6.757 322 2HB PHE 37 HB1 PHE 37 2.461 7.725 5.509 323 HD1 PHE 37 HD1 PHE 37 3.761 8.360 8.793 324 HD2 PHE 37 HD2 PHE 37 0.549 9.237 6.141 325 HE1 PHE 37 HE1 PHE 37 3.215 10.359 10.118 326 HE2 PHE 37 HE2 PHE 37 -0.006 11.231 7.468 327 HZ PHE 37 HZ PHE 37 1.332 11.800 9.456 328 H VAL 38 HN VAL 38 -0.346 6.222 8.330 329 HA VAL 38 HA VAL 38 -2.161 6.510 6.080 330 HB VAL 38 HB VAL 38 -2.838 4.804 7.607 331 1HG1 VAL 38 HG11 VAL 38 -3.454 5.244 9.932 332 2HG1 VAL 38 HG12 VAL 38 -2.910 6.915 9.766 333 3HG1 VAL 38 HG13 VAL 38 -1.748 5.594 9.646 334 1HG2 VAL 38 HG21 VAL 38 -4.507 7.290 7.528 335 2HG2 VAL 38 HG22 VAL 38 -5.095 5.837 8.345 336 3HG2 VAL 38 HG23 VAL 38 -4.696 5.785 6.627 337 H ASP 39 HN ASP 39 -3.241 8.251 5.601 338 HA ASP 39 HA ASP 39 -2.920 10.617 7.316 339 1HB ASP 39 HB2 ASP 39 -1.272 10.661 5.452 340 2HB ASP 39 HB1 ASP 39 -2.605 10.554 4.306 341 H GLY 40 HN GLY 40 -4.892 11.142 7.932 342 1HA GLY 40 HA2 GLY 40 -7.148 11.611 7.836 343 2HA GLY 40 HA1 GLY 40 -7.044 11.521 6.079 344 H ASP 41 HN ASP 41 -7.622 9.690 5.044 345 HA ASP 41 HA ASP 41 -8.259 7.335 6.704 346 1HB ASP 41 HB2 ASP 41 -9.674 8.244 4.186 347 2HB ASP 41 HB1 ASP 41 -10.040 6.778 5.091 348 H LYS 42 HN LYS 42 -6.171 8.523 4.429 349 HA LYS 42 HA LYS 42 -6.215 6.123 2.737 350 1HB LYS 42 HB2 LYS 42 -5.767 7.456 0.992 351 2HB LYS 42 HB1 LYS 42 -6.141 8.801 2.060 352 1HG LYS 42 HG2 LYS 42 -3.722 8.882 2.674 353 2HG LYS 42 HG1 LYS 42 -3.428 7.658 1.440 354 1HD LYS 42 HD2 LYS 42 -2.951 9.842 0.527 355 2HD LYS 42 HD1 LYS 42 -4.387 9.183 -0.254 356 1HE LYS 42 HE2 LYS 42 -4.779 11.493 0.228 357 2HE LYS 42 HE1 LYS 42 -5.780 10.526 1.306 358 1HZ LYS 42 HZ1 LYS 42 -4.173 10.891 3.070 359 2HZ LYS 42 HZ2 LYS 42 -4.719 12.373 2.459 360 3HZ LYS 42 HZ3 LYS 42 -3.186 11.791 2.026 361 H ILE 43 HN ILE 43 -3.974 5.489 1.886 362 HA ILE 43 HA ILE 43 -2.125 5.440 4.187 363 HB ILE 43 HB ILE 43 -2.598 3.226 2.170 364 1HG1 ILE 43 HG12 ILE 43 -4.376 3.623 3.973 365 2HG1 ILE 43 HG11 ILE 43 -3.704 2.001 3.858 366 1HG2 ILE 43 HG21 ILE 43 -0.266 3.353 2.920 367 2HG2 ILE 43 HG22 ILE 43 -1.063 1.892 3.503 368 3HG2 ILE 43 HG23 ILE 43 -0.800 3.250 4.598 369 1HD1 ILE 43 HD11 ILE 43 -2.260 2.459 5.767 370 2HD1 ILE 43 HD12 ILE 43 -3.958 2.708 6.172 371 3HD1 ILE 43 HD13 ILE 43 -2.910 4.097 5.872 372 H ILE 44 HN ILE 44 0.067 5.631 3.760 373 HA ILE 44 HA ILE 44 0.775 6.491 1.021 374 HB ILE 44 HB ILE 44 1.873 7.573 3.624 375 1HG1 ILE 44 HG12 ILE 44 0.034 8.992 1.690 376 2HG1 ILE 44 HG11 ILE 44 -0.555 8.129 3.111 377 1HG2 ILE 44 HG21 ILE 44 3.481 7.713 1.829 378 2HG2 ILE 44 HG22 ILE 44 2.846 9.324 2.164 379 3HG2 ILE 44 HG23 ILE 44 2.275 8.427 0.757 380 1HD1 ILE 44 HD11 ILE 44 -0.366 10.526 3.501 381 2HD1 ILE 44 HD12 ILE 44 1.361 10.451 3.145 382 3HD1 ILE 44 HD13 ILE 44 0.709 9.608 4.553 383 H LEU 45 HN LEU 45 2.301 5.220 0.133 384 HA LEU 45 HA LEU 45 3.894 3.533 1.931 385 1HB LEU 45 HB2 LEU 45 2.852 3.168 -0.836 386 2HB LEU 45 HB1 LEU 45 4.323 2.334 -0.378 387 HG LEU 45 HG LEU 45 3.112 1.251 1.485 388 1HD1 LEU 45 HD11 LEU 45 0.698 2.611 0.303 389 2HD1 LEU 45 HD12 LEU 45 1.391 2.889 1.901 390 3HD1 LEU 45 HD13 LEU 45 0.653 1.331 1.518 391 1HD2 LEU 45 HD21 LEU 45 1.816 0.862 -1.207 392 2HD2 LEU 45 HD22 LEU 45 1.830 -0.294 0.125 393 3HD2 LEU 45 HD23 LEU 45 3.337 0.139 -0.683 394 H LYS 46 HN LYS 46 6.021 3.602 1.990 395 HA LYS 46 HA LYS 46 7.553 5.077 -0.032 396 1HB LYS 46 HB2 LYS 46 7.082 6.736 1.668 397 2HB LYS 46 HB1 LYS 46 7.535 5.617 2.946 398 1HG LYS 46 HG2 LYS 46 9.825 5.685 1.515 399 2HG LYS 46 HG1 LYS 46 9.209 7.314 1.231 400 1HD LYS 46 HD2 LYS 46 10.682 7.207 3.206 401 2HD LYS 46 HD1 LYS 46 9.039 7.696 3.629 402 1HE LYS 46 HE2 LYS 46 8.524 5.484 4.414 403 2HE LYS 46 HE1 LYS 46 10.077 4.874 3.845 404 1HZ LYS 46 HZ1 LYS 46 11.206 6.129 5.487 405 2HZ LYS 46 HZ2 LYS 46 9.943 5.319 6.280 406 3HZ LYS 46 HZ3 LYS 46 9.809 6.972 5.926 407 H LYS 47 HN LYS 47 9.649 4.288 -0.296 408 HA LYS 47 HA LYS 47 10.289 1.750 0.917 409 1HB LYS 47 HB2 LYS 47 10.936 2.786 -1.459 410 2HB LYS 47 HB1 LYS 47 12.331 3.361 -0.564 411 1HG LYS 47 HG2 LYS 47 11.516 0.470 -0.631 412 2HG LYS 47 HG1 LYS 47 12.611 1.189 -1.811 413 1HD LYS 47 HD2 LYS 47 14.125 1.830 0.022 414 2HD LYS 47 HD1 LYS 47 13.033 1.066 1.176 415 1HE LYS 47 HE2 LYS 47 14.806 -0.461 0.734 416 2HE LYS 47 HE1 LYS 47 13.355 -1.079 -0.052 417 1HZ LYS 47 HZ1 LYS 47 15.575 0.381 -1.393 418 2HZ LYS 47 HZ2 LYS 47 14.175 -0.192 -2.157 419 3HZ LYS 47 HZ3 LYS 47 15.272 -1.286 -1.488 420 H TYR 48 HN TYR 48 12.079 1.366 2.364 421 HA TYR 48 HA TYR 48 12.080 3.321 4.447 422 1HB TYR 48 HB2 TYR 48 12.106 0.928 4.984 423 2HB TYR 48 HB1 TYR 48 13.632 0.743 4.117 424 HD1 TYR 48 HD1 TYR 48 15.704 1.244 5.135 425 HD2 TYR 48 HD2 TYR 48 12.086 2.223 7.149 426 HE1 TYR 48 HE1 TYR 48 16.983 1.734 7.171 427 HE2 TYR 48 HE2 TYR 48 13.359 2.715 9.199 428 HH TYR 48 HH TYR 48 15.628 2.021 10.189 429 H LYS 49 HN LYS 49 14.569 1.933 2.413 430 HA LYS 49 HA LYS 49 16.805 3.131 3.437 431 1HB LYS 49 HB2 LYS 49 16.385 1.284 1.630 432 2HB LYS 49 HB1 LYS 49 16.615 2.618 0.509 433 1HG LYS 49 HG2 LYS 49 18.684 1.374 0.884 434 2HG LYS 49 HG1 LYS 49 18.822 3.053 1.410 435 1HD LYS 49 HD2 LYS 49 18.513 2.394 3.715 436 2HD LYS 49 HD1 LYS 49 18.220 0.724 3.231 437 1HE LYS 49 HE2 LYS 49 20.498 1.060 4.092 438 2HE LYS 49 HE1 LYS 49 20.489 0.530 2.411 439 1HZ LYS 49 HZ1 LYS 49 20.971 2.729 1.683 440 2HZ LYS 49 HZ2 LYS 49 22.077 2.350 2.910 441 3HZ LYS 49 HZ3 LYS 49 20.763 3.367 3.241 442 HA PRO 50 HA PRO 50 16.493 6.415 -0.435 443 1HB PRO 50 HB2 PRO 50 13.634 6.921 0.325 444 2HB PRO 50 HB1 PRO 50 14.449 7.208 -1.219 445 1HG PRO 50 HG2 PRO 50 12.958 5.035 -0.850 446 2HG PRO 50 HG1 PRO 50 14.465 4.965 -1.782 447 1HD PRO 50 HD2 PRO 50 13.862 3.878 0.896 448 2HD PRO 50 HD1 PRO 50 15.112 3.397 -0.264 449 H HIS 51 HN HIS 51 14.175 7.177 2.154 450 HA HIS 51 HA HIS 51 16.079 9.126 3.234 451 1HB HIS 51 HB2 HIS 51 14.430 10.263 1.699 452 2HB HIS 51 HB1 HIS 51 13.146 9.735 2.777 453 HD1 HIS 51 HD1 HIS 51 16.162 12.025 2.706 454 HD2 HIS 51 HD2 HIS 51 12.716 11.356 4.944 455 HE1 HIS 51 HE1 HIS 51 15.998 13.962 4.303 456 HE2 HIS 51 HE2 HIS 51 13.794 13.648 5.482 457 H GLY 52 HN GLY 52 16.488 7.935 5.009 458 1HA GLY 52 HA2 GLY 52 14.550 6.307 6.287 459 2HA GLY 52 HA1 GLY 52 16.167 6.647 6.876 460 H VAL 53 HN VAL 53 12.849 7.670 6.860 461 HA VAL 53 HA VAL 53 13.121 8.537 9.581 462 HB VAL 53 HB VAL 53 13.701 10.607 8.271 463 1HG1 VAL 53 HG11 VAL 53 12.264 10.284 6.352 464 2HG1 VAL 53 HG12 VAL 53 11.883 11.813 7.145 465 3HG1 VAL 53 HG13 VAL 53 10.833 10.415 7.372 466 1HG2 VAL 53 HG21 VAL 53 11.191 10.705 9.939 467 2HG2 VAL 53 HG22 VAL 53 12.213 12.091 9.553 468 3HG2 VAL 53 HG23 VAL 53 12.848 10.769 10.536 469 H CYS 54 HN CYS 54 11.172 8.475 10.664 470 HA CYS 54 HA CYS 54 8.946 7.359 9.115 471 1HB CYS 54 HB2 CYS 54 9.569 7.150 12.064 472 2HB CYS 54 HB1 CYS 54 8.119 6.492 11.302 473 HG CYS 54 HG CYS 54 9.321 4.481 9.964 474 1H MET 1 HT1 MET 1 8.716 8.458 14.983 475 2H MET 1 HT2 MET 1 7.147 9.106 14.931 476 3H MET 1 HT3 MET 1 8.193 9.316 13.615 477 HA MET 1 HA MET 1 8.191 6.963 13.173 478 1HB MET 1 HB2 MET 1 6.342 6.915 15.556 479 2HB MET 1 HB1 MET 1 6.350 5.631 14.354 480 1HG MET 1 HG2 MET 1 8.746 5.262 14.826 481 2HG MET 1 HG1 MET 1 8.650 6.481 16.095 482 1HE MET 1 HE1 MET 1 5.893 3.856 15.119 483 2HE MET 1 HE2 MET 1 6.270 2.521 16.211 484 3HE MET 1 HE3 MET 1 7.383 2.934 14.906 485 H LYS 2 HN LYS 2 6.651 6.115 11.685 486 HA LYS 2 HA LYS 2 4.893 8.104 10.637 487 1HB LYS 2 HB2 LYS 2 4.904 5.182 9.867 488 2HB LYS 2 HB1 LYS 2 4.334 6.546 8.912 489 1HG LYS 2 HG2 LYS 2 6.911 7.247 9.308 490 2HG LYS 2 HG1 LYS 2 7.044 5.493 9.296 491 1HD LYS 2 HD2 LYS 2 7.371 6.197 7.064 492 2HD LYS 2 HD1 LYS 2 5.744 5.524 7.136 493 1HE LYS 2 HE2 LYS 2 5.652 7.529 5.848 494 2HE LYS 2 HE1 LYS 2 4.874 7.845 7.396 495 1HZ LYS 2 HZ1 LYS 2 6.280 9.679 6.779 496 2HZ LYS 2 HZ2 LYS 2 7.619 8.663 6.612 497 3HZ LYS 2 HZ3 LYS 2 6.942 8.919 8.146 498 H SER 3 HN SER 3 2.591 7.393 10.068 499 HA SER 3 HA SER 3 1.134 7.288 12.413 500 1HB SER 3 HB2 SER 3 0.339 6.658 9.565 501 2HB SER 3 HB1 SER 3 -0.819 6.852 10.892 502 HG SER 3 HG SER 3 -0.656 8.915 10.641 503 H ILE 4 HN ILE 4 2.140 4.711 10.272 504 HA ILE 4 HA ILE 4 0.891 2.753 12.067 505 HB ILE 4 HB ILE 4 2.202 2.026 9.466 506 1HG1 ILE 4 HG12 ILE 4 -0.633 3.045 9.792 507 2HG1 ILE 4 HG11 ILE 4 0.667 3.873 8.937 508 1HG2 ILE 4 HG21 ILE 4 0.655 0.180 9.531 509 2HG2 ILE 4 HG22 ILE 4 -0.171 0.875 10.926 510 3HG2 ILE 4 HG23 ILE 4 1.486 0.293 11.082 511 1HD1 ILE 4 HD11 ILE 4 -0.849 2.797 7.386 512 2HD1 ILE 4 HD12 ILE 4 -0.570 1.238 8.161 513 3HD1 ILE 4 HD13 ILE 4 0.746 2.049 7.311 514 H GLY 5 HN GLY 5 3.893 3.517 10.344 515 1HA GLY 5 HA2 GLY 5 6.069 3.459 11.113 516 2HA GLY 5 HA1 GLY 5 5.463 2.903 12.670 517 H VAL 6 HN VAL 6 4.482 1.196 9.849 518 HA VAL 6 HA VAL 6 6.402 -0.922 10.515 519 HB VAL 6 HB VAL 6 4.769 -2.586 9.731 520 1HG1 VAL 6 HG11 VAL 6 3.165 -2.387 11.614 521 2HG1 VAL 6 HG12 VAL 6 3.790 -0.766 11.925 522 3HG1 VAL 6 HG13 VAL 6 4.849 -2.167 12.089 523 1HG2 VAL 6 HG21 VAL 6 3.500 -1.172 8.192 524 2HG2 VAL 6 HG22 VAL 6 2.836 -0.275 9.559 525 3HG2 VAL 6 HG23 VAL 6 2.444 -1.982 9.346 526 H VAL 7 HN VAL 7 7.675 -1.636 8.967 527 HA VAL 7 HA VAL 7 7.143 -0.784 6.209 528 HB VAL 7 HB VAL 7 9.327 -0.111 7.221 529 1HG1 VAL 7 HG11 VAL 7 9.924 -3.063 7.180 530 2HG1 VAL 7 HG12 VAL 7 9.725 -2.060 8.619 531 3HG1 VAL 7 HG13 VAL 7 11.079 -1.776 7.525 532 1HG2 VAL 7 HG21 VAL 7 10.727 -0.867 5.308 533 2HG2 VAL 7 HG22 VAL 7 9.158 -0.205 4.846 534 3HG2 VAL 7 HG23 VAL 7 9.405 -1.951 4.840 535 H ARG 8 HN ARG 8 7.146 -2.289 4.552 536 HA ARG 8 HA ARG 8 6.725 -5.046 5.490 537 1HB ARG 8 HB2 ARG 8 5.083 -3.316 3.835 538 2HB ARG 8 HB1 ARG 8 5.468 -4.820 3.010 539 1HG ARG 8 HG2 ARG 8 3.348 -4.853 4.323 540 2HG ARG 8 HG1 ARG 8 4.506 -6.121 4.748 541 1HD ARG 8 HD2 ARG 8 5.253 -4.851 6.663 542 2HD ARG 8 HD1 ARG 8 4.193 -3.516 6.224 543 HE ARG 8 HE ARG 8 2.392 -5.396 6.518 544 1HH1 ARG 8 HH11 ARG 8 5.225 -4.803 8.487 545 2HH1 ARG 8 HH12 ARG 8 4.490 -5.385 9.954 546 1HH2 ARG 8 HH21 ARG 8 1.431 -6.179 8.459 547 2HH2 ARG 8 HH22 ARG 8 2.344 -6.164 9.932 548 H LYS 9 HN LYS 9 7.166 -6.722 4.015 549 HA LYS 9 HA LYS 9 9.317 -6.055 2.122 550 1HB LYS 9 HB2 LYS 9 8.955 -8.622 3.687 551 2HB LYS 9 HB1 LYS 9 10.318 -8.211 2.651 552 1HG LYS 9 HG2 LYS 9 9.575 -6.913 5.268 553 2HG LYS 9 HG1 LYS 9 10.965 -7.952 4.951 554 1HD LYS 9 HD2 LYS 9 11.833 -6.270 3.373 555 2HD LYS 9 HD1 LYS 9 10.465 -5.218 3.750 556 1HE LYS 9 HE2 LYS 9 12.407 -4.513 4.995 557 2HE LYS 9 HE1 LYS 9 11.202 -5.166 6.102 558 1HZ LYS 9 HZ1 LYS 9 13.446 -6.793 5.058 559 2HZ LYS 9 HZ2 LYS 9 12.430 -7.137 6.374 560 3HZ LYS 9 HZ3 LYS 9 13.569 -5.885 6.485 561 H VAL 10 HN VAL 10 8.794 -6.447 0.082 562 HA VAL 10 HA VAL 10 6.381 -7.591 -0.739 563 HB VAL 10 HB VAL 10 8.948 -6.965 -2.196 564 1HG1 VAL 10 HG11 VAL 10 6.486 -8.212 -3.407 565 2HG1 VAL 10 HG12 VAL 10 8.087 -8.944 -3.305 566 3HG1 VAL 10 HG13 VAL 10 7.831 -7.517 -4.310 567 1HG2 VAL 10 HG21 VAL 10 7.552 -5.319 -3.310 568 2HG2 VAL 10 HG22 VAL 10 7.479 -5.126 -1.558 569 3HG2 VAL 10 HG23 VAL 10 6.144 -5.892 -2.419 570 H ASP 11 HN ASP 11 5.807 -9.596 -1.429 571 HA ASP 11 HA ASP 11 7.201 -11.818 -0.360 572 1HB ASP 11 HB2 ASP 11 4.746 -11.776 -0.641 573 2HB ASP 11 HB1 ASP 11 4.955 -11.764 -2.388 574 H GLU 12 HN GLU 12 6.223 -11.518 -3.753 575 HA GLU 12 HA GLU 12 8.999 -11.604 -4.624 576 1HB GLU 12 HB2 GLU 12 6.982 -13.578 -5.727 577 2HB GLU 12 HB1 GLU 12 8.675 -13.438 -6.175 578 1HG GLU 12 HG2 GLU 12 9.222 -14.047 -3.786 579 2HG GLU 12 HG1 GLU 12 7.511 -14.447 -3.608 580 H LEU 13 HN LEU 13 5.651 -11.802 -5.730 581 HA LEU 13 HA LEU 13 6.163 -10.434 -8.190 582 1HB LEU 13 HB2 LEU 13 3.417 -10.769 -7.056 583 2HB LEU 13 HB1 LEU 13 3.941 -10.861 -8.724 584 HG LEU 13 HG LEU 13 5.169 -13.036 -7.921 585 1HD1 LEU 13 HD11 LEU 13 3.871 -14.208 -6.170 586 2HD1 LEU 13 HD12 LEU 13 3.010 -12.701 -5.841 587 3HD1 LEU 13 HD13 LEU 13 4.749 -12.804 -5.561 588 1HD2 LEU 13 HD21 LEU 13 3.212 -14.345 -8.503 589 2HD2 LEU 13 HD22 LEU 13 3.363 -12.949 -9.572 590 3HD2 LEU 13 HD23 LEU 13 2.177 -12.937 -8.265 591 H GLY 14 HN GLY 14 5.516 -9.451 -5.015 592 1HA GLY 14 HA2 GLY 14 5.859 -6.987 -4.708 593 2HA GLY 14 HA1 GLY 14 4.607 -6.795 -5.940 594 H ARG 15 HN ARG 15 3.727 -9.434 -4.272 595 HA ARG 15 HA ARG 15 1.602 -8.169 -2.902 596 1HB ARG 15 HB2 ARG 15 2.723 -10.966 -2.532 597 2HB ARG 15 HB1 ARG 15 1.163 -10.405 -1.941 598 1HG ARG 15 HG2 ARG 15 0.722 -9.874 -4.451 599 2HG ARG 15 HG1 ARG 15 2.033 -11.025 -4.726 600 1HD ARG 15 HD2 ARG 15 0.126 -12.016 -2.783 601 2HD ARG 15 HD1 ARG 15 -0.660 -11.612 -4.305 602 HE ARG 15 HE ARG 15 1.701 -13.172 -4.694 603 1HH1 ARG 15 HH11 ARG 15 -1.687 -13.351 -3.818 604 2HH1 ARG 15 HH12 ARG 15 -1.871 -14.994 -4.353 605 1HH2 ARG 15 HH21 ARG 15 1.449 -15.343 -5.450 606 2HH2 ARG 15 HH22 ARG 15 -0.107 -16.108 -5.310 607 H ILE 16 HN ILE 16 1.581 -7.243 -0.932 608 HA ILE 16 HA ILE 16 3.546 -8.144 1.062 609 HB ILE 16 HB ILE 16 4.343 -6.085 1.614 610 1HG1 ILE 16 HG12 ILE 16 1.744 -4.910 0.627 611 2HG1 ILE 16 HG11 ILE 16 2.306 -5.060 2.297 612 1HG2 ILE 16 HG21 ILE 16 4.980 -6.414 -0.704 613 2HG2 ILE 16 HG22 ILE 16 4.768 -4.699 -0.355 614 3HG2 ILE 16 HG23 ILE 16 3.522 -5.577 -1.239 615 1HD1 ILE 16 HD11 ILE 16 2.489 -2.771 1.536 616 2HD1 ILE 16 HD12 ILE 16 3.486 -3.277 0.170 617 3HD1 ILE 16 HD13 ILE 16 4.094 -3.449 1.821 618 H VAL 17 HN VAL 17 2.816 -7.118 3.281 619 HA VAL 17 HA VAL 17 -0.019 -7.824 3.457 620 HB VAL 17 HB VAL 17 1.220 -9.415 4.684 621 1HG1 VAL 17 HG11 VAL 17 2.941 -8.945 6.276 622 2HG1 VAL 17 HG12 VAL 17 2.636 -7.212 6.168 623 3HG1 VAL 17 HG13 VAL 17 3.317 -8.074 4.790 624 1HG2 VAL 17 HG21 VAL 17 -0.749 -8.714 5.862 625 2HG2 VAL 17 HG22 VAL 17 0.107 -7.349 6.586 626 3HG2 VAL 17 HG23 VAL 17 0.532 -9.003 7.039 627 H MET 18 HN MET 18 -1.136 -5.967 3.355 628 HA MET 18 HA MET 18 -0.208 -3.580 4.662 629 1HB MET 18 HB2 MET 18 -2.952 -4.163 3.527 630 2HB MET 18 HB1 MET 18 -2.338 -2.583 3.998 631 1HG MET 18 HG2 MET 18 -1.463 -4.303 1.697 632 2HG MET 18 HG1 MET 18 -2.200 -2.704 1.645 633 1HE MET 18 HE1 MET 18 -0.803 -1.026 3.705 634 2HE MET 18 HE2 MET 18 -0.770 -0.383 2.060 635 3HE MET 18 HE3 MET 18 0.714 -0.455 3.012 636 HA PRO 19 HA PRO 19 -1.769 -4.502 8.547 637 1HB PRO 19 HB2 PRO 19 -1.994 -2.007 9.634 638 2HB PRO 19 HB1 PRO 19 -0.463 -2.841 9.367 639 1HG PRO 19 HG2 PRO 19 -1.581 -0.541 7.976 640 2HG PRO 19 HG1 PRO 19 0.073 -1.174 7.952 641 1HD PRO 19 HD2 PRO 19 -1.996 -1.479 5.965 642 2HD PRO 19 HD1 PRO 19 -0.313 -2.038 5.907 643 H ILE 20 HN ILE 20 -3.487 -4.584 9.959 644 HA ILE 20 HA ILE 20 -6.090 -4.232 9.056 645 HB ILE 20 HB ILE 20 -5.737 -5.610 10.955 646 1HG1 ILE 20 HG12 ILE 20 -7.285 -4.601 12.663 647 2HG1 ILE 20 HG11 ILE 20 -7.212 -3.096 11.747 648 1HG2 ILE 20 HG21 ILE 20 -4.567 -3.180 12.285 649 2HG2 ILE 20 HG22 ILE 20 -3.745 -4.685 11.863 650 3HG2 ILE 20 HG23 ILE 20 -4.967 -4.673 13.139 651 1HD1 ILE 20 HD11 ILE 20 -8.192 -4.176 9.833 652 2HD1 ILE 20 HD12 ILE 20 -9.224 -4.374 11.250 653 3HD1 ILE 20 HD13 ILE 20 -8.229 -5.719 10.687 654 H GLU 21 HN GLU 21 -3.884 -1.972 10.535 655 HA GLU 21 HA GLU 21 -5.695 0.073 11.191 656 1HB GLU 21 HB2 GLU 21 -2.823 0.369 10.289 657 2HB GLU 21 HB1 GLU 21 -3.749 1.525 11.239 658 1HG GLU 21 HG2 GLU 21 -3.039 -1.260 12.124 659 2HG GLU 21 HG1 GLU 21 -2.166 0.202 12.589 660 H LEU 22 HN LEU 22 -4.336 -0.954 8.155 661 HA LEU 22 HA LEU 22 -5.115 1.398 6.692 662 1HB LEU 22 HB2 LEU 22 -3.461 0.376 5.498 663 2HB LEU 22 HB1 LEU 22 -3.886 -1.224 6.074 664 HG LEU 22 HG LEU 22 -5.807 -0.005 4.181 665 1HD1 LEU 22 HD11 LEU 22 -3.060 -0.889 3.309 666 2HD1 LEU 22 HD12 LEU 22 -3.728 0.737 3.177 667 3HD1 LEU 22 HD13 LEU 22 -4.424 -0.582 2.235 668 1HD2 LEU 22 HD21 LEU 22 -5.957 -2.323 5.120 669 2HD2 LEU 22 HD22 LEU 22 -4.480 -2.715 4.233 670 3HD2 LEU 22 HD23 LEU 22 -5.938 -2.252 3.355 671 H ARG 23 HN ARG 23 -6.318 -1.832 7.292 672 HA ARG 23 HA ARG 23 -8.676 -1.611 5.739 673 1HB ARG 23 HB2 ARG 23 -8.172 -3.301 8.198 674 2HB ARG 23 HB1 ARG 23 -9.518 -3.506 7.082 675 1HG ARG 23 HG2 ARG 23 -7.809 -3.883 5.273 676 2HG ARG 23 HG1 ARG 23 -6.595 -3.949 6.551 677 1HD ARG 23 HD2 ARG 23 -9.049 -5.675 6.641 678 2HD ARG 23 HD1 ARG 23 -7.642 -6.155 5.696 679 HE ARG 23 HE ARG 23 -6.519 -5.704 8.056 680 1HH1 ARG 23 HH11 ARG 23 -9.504 -7.372 7.301 681 2HH1 ARG 23 HH12 ARG 23 -9.341 -8.530 8.584 682 1HH2 ARG 23 HH21 ARG 23 -6.305 -7.234 9.759 683 2HH2 ARG 23 HH22 ARG 23 -7.528 -8.447 9.989 684 H ARG 24 HN ARG 24 -7.833 -0.510 8.884 685 HA ARG 24 HA ARG 24 -10.535 0.131 9.694 686 1HB ARG 24 HB2 ARG 24 -7.828 0.748 10.895 687 2HB ARG 24 HB1 ARG 24 -9.358 1.215 11.635 688 1HG ARG 24 HG2 ARG 24 -9.968 -1.091 11.927 689 2HG ARG 24 HG1 ARG 24 -8.542 -1.621 11.033 690 1HD ARG 24 HD2 ARG 24 -8.037 -1.892 13.336 691 2HD ARG 24 HD1 ARG 24 -7.146 -0.474 12.782 692 HE ARG 24 HE ARG 24 -9.722 0.134 13.936 693 1HH1 ARG 24 HH11 ARG 24 -6.284 -0.288 14.560 694 2HH1 ARG 24 HH12 ARG 24 -6.363 0.498 16.112 695 1HH2 ARG 24 HH21 ARG 24 -9.790 1.155 15.980 696 2HH2 ARG 24 HH22 ARG 24 -8.330 1.318 16.906 697 H ALA 25 HN ALA 25 -7.788 1.626 8.236 698 HA ALA 25 HA ALA 25 -8.449 4.349 8.638 699 1HB ALA 25 HB1 ALA 25 -6.780 2.965 6.535 700 2HB ALA 25 HB2 ALA 25 -6.200 3.645 8.068 701 3HB ALA 25 HB3 ALA 25 -6.818 4.712 6.805 702 H LEU 26 HN LEU 26 -8.769 2.177 5.883 703 HA LEU 26 HA LEU 26 -10.173 4.183 4.367 704 1HB LEU 26 HB2 LEU 26 -9.433 1.341 3.713 705 2HB LEU 26 HB1 LEU 26 -10.157 2.471 2.584 706 HG LEU 26 HG LEU 26 -7.496 2.984 3.902 707 1HD1 LEU 26 HD11 LEU 26 -7.356 0.881 2.659 708 2HD1 LEU 26 HD12 LEU 26 -6.458 2.160 1.841 709 3HD1 LEU 26 HD13 LEU 26 -8.041 1.670 1.237 710 1HD2 LEU 26 HD21 LEU 26 -8.664 4.915 2.931 711 2HD2 LEU 26 HD22 LEU 26 -8.782 4.064 1.391 712 3HD2 LEU 26 HD23 LEU 26 -7.202 4.519 2.030 713 H ASP 27 HN ASP 27 -10.890 0.768 4.622 714 HA ASP 27 HA ASP 27 -13.282 0.576 5.838 715 1HB ASP 27 HB2 ASP 27 -14.166 2.379 4.399 716 2HB ASP 27 HB1 ASP 27 -13.721 1.466 2.963 717 H ILE 28 HN ILE 28 -11.461 -1.175 5.681 718 HA ILE 28 HA ILE 28 -12.215 -3.065 3.540 719 HB ILE 28 HB ILE 28 -9.531 -2.851 4.936 720 1HG1 ILE 28 HG12 ILE 28 -8.625 -2.472 2.674 721 2HG1 ILE 28 HG11 ILE 28 -10.262 -2.543 2.000 722 1HG2 ILE 28 HG21 ILE 28 -10.146 -5.178 4.638 723 2HG2 ILE 28 HG22 ILE 28 -8.843 -4.740 3.532 724 3HG2 ILE 28 HG23 ILE 28 -10.496 -4.889 2.933 725 1HD1 ILE 28 HD11 ILE 28 -10.820 -0.583 3.380 726 2HD1 ILE 28 HD12 ILE 28 -9.577 -0.281 2.154 727 3HD1 ILE 28 HD13 ILE 28 -9.117 -0.480 3.849 728 H ALA 29 HN ALA 29 -12.921 -5.006 4.106 729 HA ALA 29 HA ALA 29 -13.148 -5.497 6.980 730 1HB ALA 29 HB1 ALA 29 -14.815 -6.589 4.737 731 2HB ALA 29 HB2 ALA 29 -15.226 -5.188 5.723 732 3HB ALA 29 HB3 ALA 29 -15.124 -6.791 6.464 733 H ILE 30 HN ILE 30 -12.754 -7.288 3.946 734 HA ILE 30 HA ILE 30 -10.822 -9.023 5.281 735 HB ILE 30 HB ILE 30 -13.039 -10.112 5.546 736 1HG1 ILE 30 HG12 ILE 30 -10.768 -11.345 5.166 737 2HG1 ILE 30 HG11 ILE 30 -12.270 -12.258 5.193 738 1HG2 ILE 30 HG21 ILE 30 -14.144 -9.335 3.556 739 2HG2 ILE 30 HG22 ILE 30 -14.148 -11.100 3.584 740 3HG2 ILE 30 HG23 ILE 30 -13.018 -10.234 2.540 741 1HD1 ILE 30 HD11 ILE 30 -10.746 -12.970 3.414 742 2HD1 ILE 30 HD12 ILE 30 -10.835 -11.357 2.705 743 3HD1 ILE 30 HD13 ILE 30 -12.278 -12.369 2.783 744 H LYS 31 HN LYS 31 -12.379 -7.905 2.363 745 HA LYS 31 HA LYS 31 -9.827 -8.235 0.959 746 1HB LYS 31 HB2 LYS 31 -12.549 -8.651 -0.307 747 2HB LYS 31 HB1 LYS 31 -10.994 -8.770 -1.117 748 1HG LYS 31 HG2 LYS 31 -10.589 -10.599 0.768 749 2HG LYS 31 HG1 LYS 31 -12.350 -10.683 0.692 750 1HD LYS 31 HD2 LYS 31 -11.351 -12.307 -0.821 751 2HD LYS 31 HD1 LYS 31 -12.212 -11.065 -1.735 752 1HE LYS 31 HE2 LYS 31 -10.131 -9.930 -2.217 753 2HE LYS 31 HE1 LYS 31 -9.243 -11.072 -1.210 754 1HZ LYS 31 HZ1 LYS 31 -10.704 -11.758 -3.707 755 2HZ LYS 31 HZ2 LYS 31 -9.816 -12.834 -2.743 756 3HZ LYS 31 HZ3 LYS 31 -9.023 -11.579 -3.560 757 H ASP 32 HN ASP 32 -13.008 -6.738 0.940 758 HA ASP 32 HA ASP 32 -13.797 -4.895 -0.128 759 1HB ASP 32 HB2 ASP 32 -12.025 -4.235 2.086 760 2HB ASP 32 HB1 ASP 32 -12.374 -2.863 1.020 761 H SER 33 HN SER 33 -11.171 -2.762 -0.018 762 HA SER 33 HA SER 33 -10.297 -3.216 -2.735 763 1HB SER 33 HB2 SER 33 -12.003 -0.777 -2.196 764 2HB SER 33 HB1 SER 33 -11.321 -1.289 -3.742 765 HG SER 33 HG SER 33 -12.736 -3.318 -2.938 766 H ILE 34 HN ILE 34 -8.319 -2.272 -3.034 767 HA ILE 34 HA ILE 34 -7.811 0.329 -1.786 768 HB ILE 34 HB ILE 34 -5.658 -1.785 -1.737 769 1HG1 ILE 34 HG12 ILE 34 -6.090 -1.450 0.868 770 2HG1 ILE 34 HG11 ILE 34 -7.734 -1.149 0.310 771 1HG2 ILE 34 HG21 ILE 34 -5.913 0.920 -0.446 772 2HG2 ILE 34 HG22 ILE 34 -4.890 0.500 -1.820 773 3HG2 ILE 34 HG23 ILE 34 -4.559 -0.190 -0.231 774 1HD1 ILE 34 HD11 ILE 34 -7.484 -3.454 0.917 775 2HD1 ILE 34 HD12 ILE 34 -6.097 -3.622 -0.165 776 3HD1 ILE 34 HD13 ILE 34 -7.705 -3.328 -0.831 777 H GLU 35 HN GLU 35 -7.658 1.510 -3.605 778 HA GLU 35 HA GLU 35 -6.142 0.508 -5.905 779 1HB GLU 35 HB2 GLU 35 -8.399 1.450 -6.278 780 2HB GLU 35 HB1 GLU 35 -7.870 2.972 -5.578 781 1HG GLU 35 HG2 GLU 35 -6.248 3.227 -7.401 782 2HG GLU 35 HG1 GLU 35 -6.834 1.720 -8.109 783 H PHE 36 HN PHE 36 -4.262 1.559 -6.663 784 HA PHE 36 HA PHE 36 -3.245 3.565 -4.745 785 1HB PHE 36 HB2 PHE 36 -1.060 2.260 -6.078 786 2HB PHE 36 HB1 PHE 36 -1.388 2.425 -4.363 787 HD1 PHE 36 HD1 PHE 36 -1.245 0.183 -7.119 788 HD2 PHE 36 HD2 PHE 36 -2.966 0.772 -3.278 789 HE1 PHE 36 HE1 PHE 36 -1.669 -2.235 -6.940 790 HE2 PHE 36 HE2 PHE 36 -3.392 -1.640 -3.093 791 HZ PHE 36 HZ PHE 36 -2.745 -3.144 -4.924 792 H PHE 37 HN PHE 37 -1.665 5.008 -5.380 793 HA PHE 37 HA PHE 37 -1.522 5.752 -8.234 794 1HB PHE 37 HB2 PHE 37 -3.304 7.105 -7.214 795 2HB PHE 37 HB1 PHE 37 -2.247 7.530 -5.878 796 HD1 PHE 37 HD1 PHE 37 -3.214 8.266 -9.294 797 HD2 PHE 37 HD2 PHE 37 -0.415 9.134 -6.213 798 HE1 PHE 37 HE1 PHE 37 -2.572 10.330 -10.465 799 HE2 PHE 37 HE2 PHE 37 0.239 11.198 -7.381 800 HZ PHE 37 HZ PHE 37 -0.845 11.801 -9.511 801 H VAL 38 HN VAL 38 0.598 6.174 -8.770 802 HA VAL 38 HA VAL 38 2.476 6.396 -6.550 803 HB VAL 38 HB VAL 38 3.088 4.807 -8.303 804 1HG1 VAL 38 HG11 VAL 38 3.770 5.571 -10.532 805 2HG1 VAL 38 HG12 VAL 38 3.207 7.196 -10.143 806 3HG1 VAL 38 HG13 VAL 38 2.057 5.863 -10.237 807 1HG2 VAL 38 HG21 VAL 38 4.774 7.209 -7.791 808 2HG2 VAL 38 HG22 VAL 38 5.363 5.951 -8.882 809 3HG2 VAL 38 HG23 VAL 38 4.963 5.551 -7.211 810 H ASP 39 HN ASP 39 3.601 8.168 -6.067 811 HA ASP 39 HA ASP 39 3.171 10.582 -7.689 812 1HB ASP 39 HB2 ASP 39 1.539 10.579 -5.824 813 2HB ASP 39 HB1 ASP 39 2.862 10.399 -4.679 814 H GLY 40 HN GLY 40 5.148 11.088 -8.328 815 1HA GLY 40 HA2 GLY 40 7.390 11.624 -8.215 816 2HA GLY 40 HA1 GLY 40 7.281 11.522 -6.461 817 H ASP 41 HN ASP 41 7.728 9.612 -5.427 818 HA ASP 41 HA ASP 41 8.548 7.332 -7.111 819 1HB ASP 41 HB2 ASP 41 9.876 8.147 -4.514 820 2HB ASP 41 HB1 ASP 41 10.369 6.845 -5.587 821 H LYS 42 HN LYS 42 6.426 8.469 -4.854 822 HA LYS 42 HA LYS 42 6.492 6.084 -3.147 823 1HB LYS 42 HB2 LYS 42 5.863 7.385 -1.407 824 2HB LYS 42 HB1 LYS 42 6.493 8.684 -2.411 825 1HG LYS 42 HG2 LYS 42 4.205 9.044 -3.293 826 2HG LYS 42 HG1 LYS 42 3.623 7.829 -2.141 827 1HD LYS 42 HD2 LYS 42 3.273 9.988 -1.172 828 2HD LYS 42 HD1 LYS 42 4.629 9.239 -0.322 829 1HE LYS 42 HE2 LYS 42 5.505 11.323 -0.720 830 2HE LYS 42 HE1 LYS 42 6.029 10.457 -2.168 831 1HZ LYS 42 HZ1 LYS 42 4.294 11.422 -3.428 832 2HZ LYS 42 HZ2 LYS 42 5.046 12.682 -2.584 833 3HZ LYS 42 HZ3 LYS 42 3.552 12.081 -2.054 834 H ILE 43 HN ILE 43 4.221 5.529 -2.254 835 HA ILE 43 HA ILE 43 2.407 5.387 -4.573 836 HB ILE 43 HB ILE 43 2.890 3.218 -2.520 837 1HG1 ILE 43 HG12 ILE 43 4.749 3.588 -4.178 838 2HG1 ILE 43 HG11 ILE 43 4.020 1.987 -4.243 839 1HG2 ILE 43 HG21 ILE 43 1.198 3.185 -5.015 840 2HG2 ILE 43 HG22 ILE 43 0.587 3.281 -3.364 841 3HG2 ILE 43 HG23 ILE 43 1.444 1.835 -3.905 842 1HD1 ILE 43 HD11 ILE 43 2.876 2.486 -6.246 843 2HD1 ILE 43 HD12 ILE 43 4.526 3.081 -6.456 844 3HD1 ILE 43 HD13 ILE 43 3.220 4.212 -6.097 845 H ILE 44 HN ILE 44 0.213 5.553 -4.168 846 HA ILE 44 HA ILE 44 -0.527 6.450 -1.450 847 HB ILE 44 HB ILE 44 -1.745 7.385 -4.053 848 1HG1 ILE 44 HG12 ILE 44 0.376 8.675 -2.327 849 2HG1 ILE 44 HG11 ILE 44 0.542 8.126 -3.995 850 1HG2 ILE 44 HG21 ILE 44 -2.766 9.122 -2.687 851 2HG2 ILE 44 HG22 ILE 44 -1.982 8.473 -1.245 852 3HG2 ILE 44 HG23 ILE 44 -3.207 7.524 -2.089 853 1HD1 ILE 44 HD11 ILE 44 -1.019 9.846 -4.718 854 2HD1 ILE 44 HD12 ILE 44 0.357 10.544 -3.863 855 3HD1 ILE 44 HD13 ILE 44 -1.203 10.390 -3.051 856 H LEU 45 HN LEU 45 -2.125 5.284 -0.520 857 HA LEU 45 HA LEU 45 -3.641 3.463 -2.265 858 1HB LEU 45 HB2 LEU 45 -2.563 3.187 0.496 859 2HB LEU 45 HB1 LEU 45 -4.033 2.323 0.087 860 HG LEU 45 HG LEU 45 -2.856 1.193 -1.756 861 1HD1 LEU 45 HD11 LEU 45 -0.407 2.598 -0.703 862 2HD1 LEU 45 HD12 LEU 45 -1.188 2.892 -2.257 863 3HD1 LEU 45 HD13 LEU 45 -0.428 1.334 -1.931 864 1HD2 LEU 45 HD21 LEU 45 -1.503 0.950 0.929 865 2HD2 LEU 45 HD22 LEU 45 -1.434 -0.246 -0.366 866 3HD2 LEU 45 HD23 LEU 45 -2.972 0.119 0.416 867 H LYS 46 HN LYS 46 -5.768 3.514 -2.333 868 HA LYS 46 HA LYS 46 -7.318 5.015 -0.339 869 1HB LYS 46 HB2 LYS 46 -6.886 6.667 -2.028 870 2HB LYS 46 HB1 LYS 46 -7.231 5.524 -3.318 871 1HG LYS 46 HG2 LYS 46 -9.596 5.480 -2.084 872 2HG LYS 46 HG1 LYS 46 -9.073 7.106 -1.635 873 1HD LYS 46 HD2 LYS 46 -10.391 7.066 -3.730 874 2HD LYS 46 HD1 LYS 46 -8.753 7.685 -3.966 875 1HE LYS 46 HE2 LYS 46 -8.034 5.554 -4.853 876 2HE LYS 46 HE1 LYS 46 -9.605 4.839 -4.504 877 1HZ LYS 46 HZ1 LYS 46 -10.623 6.149 -6.160 878 2HZ LYS 46 HZ2 LYS 46 -9.220 5.506 -6.867 879 3HZ LYS 46 HZ3 LYS 46 -9.251 7.123 -6.358 880 H LYS 47 HN LYS 47 -9.445 4.242 -0.107 881 HA LYS 47 HA LYS 47 -10.008 1.681 -1.337 882 1HB LYS 47 HB2 LYS 47 -10.594 2.455 1.087 883 2HB LYS 47 HB1 LYS 47 -11.981 3.224 0.332 884 1HG LYS 47 HG2 LYS 47 -11.416 0.310 -0.112 885 2HG LYS 47 HG1 LYS 47 -12.254 0.865 1.341 886 1HD LYS 47 HD2 LYS 47 -13.951 1.935 -0.087 887 2HD LYS 47 HD1 LYS 47 -13.108 1.328 -1.512 888 1HE LYS 47 HE2 LYS 47 -14.962 -0.123 -1.032 889 2HE LYS 47 HE1 LYS 47 -13.461 -0.978 -0.686 890 1HZ LYS 47 HZ1 LYS 47 -15.303 0.256 1.297 891 2HZ LYS 47 HZ2 LYS 47 -13.792 -0.398 1.681 892 3HZ LYS 47 HZ3 LYS 47 -15.005 -1.398 1.066 893 H TYR 48 HN TYR 48 -11.577 1.262 -2.852 894 HA TYR 48 HA TYR 48 -11.788 3.173 -4.878 895 1HB TYR 48 HB2 TYR 48 -11.819 0.639 -5.061 896 2HB TYR 48 HB1 TYR 48 -13.519 0.724 -4.601 897 HD1 TYR 48 HD1 TYR 48 -15.169 1.144 -6.212 898 HD2 TYR 48 HD2 TYR 48 -11.086 1.856 -7.169 899 HE1 TYR 48 HE1 TYR 48 -15.789 1.498 -8.561 900 HE2 TYR 48 HE2 TYR 48 -11.695 2.218 -9.524 901 HH TYR 48 HH TYR 48 -13.542 1.560 -11.065 902 H LYS 49 HN LYS 49 -14.328 1.880 -2.773 903 HA LYS 49 HA LYS 49 -16.507 3.177 -3.829 904 1HB LYS 49 HB2 LYS 49 -15.900 1.966 -1.201 905 2HB LYS 49 HB1 LYS 49 -17.288 3.038 -1.267 906 1HG LYS 49 HG2 LYS 49 -17.873 0.672 -1.594 907 2HG LYS 49 HG1 LYS 49 -18.326 1.691 -2.959 908 1HD LYS 49 HD2 LYS 49 -16.382 0.934 -4.200 909 2HD LYS 49 HD1 LYS 49 -15.851 -0.030 -2.819 910 1HE LYS 49 HE2 LYS 49 -17.014 -1.338 -4.596 911 2HE LYS 49 HE1 LYS 49 -17.753 -1.464 -3.001 912 1HZ LYS 49 HZ1 LYS 49 -19.351 -1.146 -4.863 913 2HZ LYS 49 HZ2 LYS 49 -18.710 0.405 -5.108 914 3HZ LYS 49 HZ3 LYS 49 -19.475 0.024 -3.644 915 HA PRO 50 HA PRO 50 -16.254 6.875 -0.744 916 1HB PRO 50 HB2 PRO 50 -13.490 6.835 0.275 917 2HB PRO 50 HB1 PRO 50 -15.007 7.065 1.151 918 1HG PRO 50 HG2 PRO 50 -13.591 4.804 1.384 919 2HG PRO 50 HG1 PRO 50 -15.363 4.799 1.395 920 1HD PRO 50 HD2 PRO 50 -13.484 4.108 -0.837 921 2HD PRO 50 HD1 PRO 50 -14.980 3.294 -0.331 922 H HIS 51 HN HIS 51 -16.260 8.289 -2.350 923 HA HIS 51 HA HIS 51 -15.612 9.764 -3.929 924 1HB HIS 51 HB2 HIS 51 -13.912 10.358 -2.064 925 2HB HIS 51 HB1 HIS 51 -12.742 9.507 -3.066 926 HD1 HIS 51 HD1 HIS 51 -11.990 12.282 -2.732 927 HD2 HIS 51 HD2 HIS 51 -14.812 11.193 -5.592 928 HE1 HIS 51 HE1 HIS 51 -12.034 14.167 -4.402 929 HE2 HIS 51 HE2 HIS 51 -13.891 13.579 -5.997 930 H GLY 52 HN GLY 52 -16.194 8.218 -5.470 931 1HA GLY 52 HA2 GLY 52 -14.259 6.288 -6.403 932 2HA GLY 52 HA1 GLY 52 -15.885 6.525 -7.027 933 H VAL 53 HN VAL 53 -12.596 7.714 -7.095 934 HA VAL 53 HA VAL 53 -12.901 8.329 -9.903 935 HB VAL 53 HB VAL 53 -13.577 10.447 -8.822 936 1HG1 VAL 53 HG11 VAL 53 -12.296 10.308 -6.775 937 2HG1 VAL 53 HG12 VAL 53 -11.899 11.796 -7.637 938 3HG1 VAL 53 HG13 VAL 53 -10.787 10.428 -7.682 939 1HG2 VAL 53 HG21 VAL 53 -11.860 11.900 -10.004 940 2HG2 VAL 53 HG22 VAL 53 -12.663 10.671 -10.981 941 3HG2 VAL 53 HG23 VAL 53 -11.019 10.397 -10.403 942 H CYS 54 HN CYS 54 -11.015 8.190 -11.016 943 HA CYS 54 HA CYS 54 -8.624 7.471 -9.461 944 1HB CYS 54 HB2 CYS 54 -9.251 6.742 -12.330 945 2HB CYS 54 HB1 CYS 54 -7.907 6.141 -11.354 946 HG CYS 54 HG CYS 54 -9.286 4.387 -9.876 Start of MODEL 9 1 1H MET 1 HT1 MET 1 -10.181 6.568 -10.755 2 2H MET 1 HT2 MET 1 -9.284 5.208 -10.280 3 3H MET 1 HT3 MET 1 -10.483 5.060 -11.470 4 HA MET 1 HA MET 1 -8.323 5.045 -12.490 5 1HB MET 1 HB2 MET 1 -9.813 7.640 -12.947 6 2HB MET 1 HB1 MET 1 -8.581 6.991 -14.017 7 1HG MET 1 HG2 MET 1 -9.983 5.026 -14.421 8 2HG MET 1 HG1 MET 1 -11.223 5.708 -13.370 9 1HE MET 1 HE1 MET 1 -12.798 6.086 -16.942 10 2HE MET 1 HE2 MET 1 -13.025 5.452 -15.312 11 3HE MET 1 HE3 MET 1 -11.786 4.763 -16.362 12 H LYS 2 HN LYS 2 -6.735 5.191 -10.771 13 HA LYS 2 HA LYS 2 -5.722 7.915 -10.382 14 1HB LYS 2 HB2 LYS 2 -5.092 5.386 -8.849 15 2HB LYS 2 HB1 LYS 2 -4.360 6.958 -8.537 16 1HG LYS 2 HG2 LYS 2 -6.795 7.783 -8.294 17 2HG LYS 2 HG1 LYS 2 -7.184 6.072 -8.126 18 1HD LYS 2 HD2 LYS 2 -5.219 7.582 -6.398 19 2HD LYS 2 HD1 LYS 2 -6.890 7.219 -5.953 20 1HE LYS 2 HE2 LYS 2 -6.407 4.832 -6.110 21 2HE LYS 2 HE1 LYS 2 -4.737 5.198 -6.545 22 1HZ LYS 2 HZ1 LYS 2 -5.074 4.638 -4.172 23 2HZ LYS 2 HZ2 LYS 2 -5.999 6.047 -3.999 24 3HZ LYS 2 HZ3 LYS 2 -4.364 6.157 -4.413 25 H SER 3 HN SER 3 -3.129 7.611 -9.942 26 HA SER 3 HA SER 3 -1.974 7.664 -12.410 27 1HB SER 3 HB2 SER 3 -0.937 8.530 -10.350 28 2HB SER 3 HB1 SER 3 -0.604 6.873 -9.836 29 HG SER 3 HG SER 3 0.657 8.455 -11.729 30 H ILE 4 HN ILE 4 -2.115 4.887 -10.223 31 HA ILE 4 HA ILE 4 -0.940 3.188 -12.282 32 HB ILE 4 HB ILE 4 -1.973 2.069 -9.709 33 1HG1 ILE 4 HG12 ILE 4 0.565 3.705 -9.954 34 2HG1 ILE 4 HG11 ILE 4 -0.852 4.134 -9.010 35 1HG2 ILE 4 HG21 ILE 4 0.057 0.685 -9.932 36 2HG2 ILE 4 HG22 ILE 4 0.478 1.572 -11.397 37 3HG2 ILE 4 HG23 ILE 4 -0.983 0.587 -11.352 38 1HD1 ILE 4 HD11 ILE 4 0.911 1.748 -8.510 39 2HD1 ILE 4 HD12 ILE 4 -0.484 2.239 -7.547 40 3HD1 ILE 4 HD13 ILE 4 0.947 3.268 -7.616 41 H GLY 5 HN GLY 5 -3.926 3.827 -10.594 42 1HA GLY 5 HA2 GLY 5 -6.096 3.544 -11.300 43 2HA GLY 5 HA1 GLY 5 -5.468 2.857 -12.797 44 H VAL 6 HN VAL 6 -4.127 1.300 -10.169 45 HA VAL 6 HA VAL 6 -5.935 -0.946 -10.636 46 HB VAL 6 HB VAL 6 -4.136 -2.387 -9.760 47 1HG1 VAL 6 HG11 VAL 6 -2.575 -2.095 -11.654 48 2HG1 VAL 6 HG12 VAL 6 -3.348 -0.546 -12.011 49 3HG1 VAL 6 HG13 VAL 6 -4.274 -2.042 -12.138 50 1HG2 VAL 6 HG21 VAL 6 -3.046 -0.790 -8.277 51 2HG2 VAL 6 HG22 VAL 6 -2.526 0.160 -9.669 52 3HG2 VAL 6 HG23 VAL 6 -1.892 -1.469 -9.426 53 H VAL 7 HN VAL 7 -7.111 -1.789 -9.128 54 HA VAL 7 HA VAL 7 -6.739 -0.931 -6.345 55 HB VAL 7 HB VAL 7 -8.832 -0.072 -7.195 56 1HG1 VAL 7 HG11 VAL 7 -9.515 -2.919 -7.910 57 2HG1 VAL 7 HG12 VAL 7 -9.197 -1.603 -9.042 58 3HG1 VAL 7 HG13 VAL 7 -10.620 -1.547 -8.001 59 1HG2 VAL 7 HG21 VAL 7 -10.420 -1.158 -5.628 60 2HG2 VAL 7 HG22 VAL 7 -8.864 -0.758 -4.895 61 3HG2 VAL 7 HG23 VAL 7 -9.220 -2.423 -5.353 62 H ARG 8 HN ARG 8 -6.780 -2.475 -4.767 63 HA ARG 8 HA ARG 8 -6.506 -5.235 -5.742 64 1HB ARG 8 HB2 ARG 8 -5.174 -3.785 -3.484 65 2HB ARG 8 HB1 ARG 8 -5.196 -5.541 -3.563 66 1HG ARG 8 HG2 ARG 8 -3.833 -3.574 -5.349 67 2HG ARG 8 HG1 ARG 8 -3.157 -4.970 -4.493 68 1HD ARG 8 HD2 ARG 8 -4.355 -6.472 -5.963 69 2HD ARG 8 HD1 ARG 8 -5.129 -5.107 -6.758 70 HE ARG 8 HE ARG 8 -2.205 -5.326 -6.842 71 1HH1 ARG 8 HH11 ARG 8 -5.292 -5.458 -8.474 72 2HH1 ARG 8 HH12 ARG 8 -4.607 -5.426 -10.073 73 1HH2 ARG 8 HH21 ARG 8 -1.276 -5.335 -8.940 74 2HH2 ARG 8 HH22 ARG 8 -2.317 -5.396 -10.335 75 H LYS 9 HN LYS 9 -7.018 -6.901 -4.152 76 HA LYS 9 HA LYS 9 -9.157 -6.086 -2.306 77 1HB LYS 9 HB2 LYS 9 -9.090 -8.736 -3.762 78 2HB LYS 9 HB1 LYS 9 -10.418 -8.048 -2.838 79 1HG LYS 9 HG2 LYS 9 -9.388 -7.101 -5.507 80 2HG LYS 9 HG1 LYS 9 -10.922 -7.908 -5.184 81 1HD LYS 9 HD2 LYS 9 -11.676 -6.003 -3.878 82 2HD LYS 9 HD1 LYS 9 -10.119 -5.201 -4.096 83 1HE LYS 9 HE2 LYS 9 -11.548 -4.195 -5.657 84 2HE LYS 9 HE1 LYS 9 -10.578 -5.331 -6.593 85 1HZ LYS 9 HZ1 LYS 9 -12.430 -6.909 -6.486 86 2HZ LYS 9 HZ2 LYS 9 -12.888 -5.458 -7.237 87 3HZ LYS 9 HZ3 LYS 9 -13.358 -5.773 -5.639 88 H VAL 10 HN VAL 10 -8.695 -6.588 -0.285 89 HA VAL 10 HA VAL 10 -6.233 -7.614 0.497 90 HB VAL 10 HB VAL 10 -8.800 -7.194 2.021 91 1HG1 VAL 10 HG11 VAL 10 -6.156 -8.030 3.195 92 2HG1 VAL 10 HG12 VAL 10 -7.611 -9.024 3.124 93 3HG1 VAL 10 HG13 VAL 10 -7.595 -7.553 4.098 94 1HG2 VAL 10 HG21 VAL 10 -7.556 -5.356 3.026 95 2HG2 VAL 10 HG22 VAL 10 -7.618 -5.210 1.269 96 3HG2 VAL 10 HG23 VAL 10 -6.145 -5.780 2.058 97 H ASP 11 HN ASP 11 -5.554 -9.513 1.331 98 HA ASP 11 HA ASP 11 -6.626 -11.936 0.399 99 1HB ASP 11 HB2 ASP 11 -4.239 -11.575 0.965 100 2HB ASP 11 HB1 ASP 11 -4.672 -11.437 2.663 101 H GLU 12 HN GLU 12 -6.039 -11.362 3.816 102 HA GLU 12 HA GLU 12 -8.847 -11.523 4.529 103 1HB GLU 12 HB2 GLU 12 -6.861 -13.490 5.707 104 2HB GLU 12 HB1 GLU 12 -8.560 -13.345 6.126 105 1HG GLU 12 HG2 GLU 12 -9.080 -13.988 3.751 106 2HG GLU 12 HG1 GLU 12 -7.366 -14.359 3.571 107 H LEU 13 HN LEU 13 -5.495 -11.497 5.591 108 HA LEU 13 HA LEU 13 -6.069 -10.224 8.106 109 1HB LEU 13 HB2 LEU 13 -3.356 -10.494 6.843 110 2HB LEU 13 HB1 LEU 13 -3.749 -10.400 8.548 111 HG LEU 13 HG LEU 13 -4.965 -12.690 8.057 112 1HD1 LEU 13 HD11 LEU 13 -3.659 -14.010 6.406 113 2HD1 LEU 13 HD12 LEU 13 -2.905 -12.506 5.863 114 3HD1 LEU 13 HD13 LEU 13 -4.644 -12.738 5.682 115 1HD2 LEU 13 HD21 LEU 13 -2.910 -13.851 8.702 116 2HD2 LEU 13 HD22 LEU 13 -3.147 -12.375 9.640 117 3HD2 LEU 13 HD23 LEU 13 -1.977 -12.404 8.320 118 H GLY 14 HN GLY 14 -5.200 -9.255 4.918 119 1HA GLY 14 HA2 GLY 14 -5.624 -6.710 4.713 120 2HA GLY 14 HA1 GLY 14 -4.275 -6.628 5.843 121 H ARG 15 HN ARG 15 -3.420 -9.211 4.268 122 HA ARG 15 HA ARG 15 -1.385 -8.022 2.757 123 1HB ARG 15 HB2 ARG 15 -2.480 -10.785 2.241 124 2HB ARG 15 HB1 ARG 15 -0.836 -10.213 2.009 125 1HG ARG 15 HG2 ARG 15 -0.603 -9.981 4.454 126 2HG ARG 15 HG1 ARG 15 -2.234 -10.644 4.634 127 1HD ARG 15 HD2 ARG 15 -0.523 -12.363 4.968 128 2HD ARG 15 HD1 ARG 15 -1.540 -12.713 3.573 129 HE ARG 15 HE ARG 15 1.030 -11.388 3.117 130 1HH1 ARG 15 HH11 ARG 15 -0.989 -14.232 2.865 131 2HH1 ARG 15 HH12 ARG 15 0.092 -15.071 1.793 132 1HH2 ARG 15 HH21 ARG 15 2.472 -12.479 1.698 133 2HH2 ARG 15 HH22 ARG 15 2.066 -14.077 1.145 134 H ILE 16 HN ILE 16 -1.306 -7.256 0.704 135 HA ILE 16 HA ILE 16 -3.269 -8.242 -1.227 136 HB ILE 16 HB ILE 16 -4.043 -6.208 -1.982 137 1HG1 ILE 16 HG12 ILE 16 -1.577 -4.937 -0.785 138 2HG1 ILE 16 HG11 ILE 16 -1.996 -5.115 -2.494 139 1HG2 ILE 16 HG21 ILE 16 -3.528 -5.638 0.930 140 2HG2 ILE 16 HG22 ILE 16 -4.908 -6.503 0.256 141 3HG2 ILE 16 HG23 ILE 16 -4.688 -4.788 -0.091 142 1HD1 ILE 16 HD11 ILE 16 -2.303 -2.827 -1.773 143 2HD1 ILE 16 HD12 ILE 16 -3.398 -3.352 -0.493 144 3HD1 ILE 16 HD13 ILE 16 -3.856 -3.555 -2.185 145 H VAL 17 HN VAL 17 -2.514 -7.140 -3.494 146 HA VAL 17 HA VAL 17 0.352 -7.749 -3.594 147 HB VAL 17 HB VAL 17 -0.760 -9.391 -4.861 148 1HG1 VAL 17 HG11 VAL 17 -2.266 -7.196 -6.270 149 2HG1 VAL 17 HG12 VAL 17 -2.930 -8.329 -5.094 150 3HG1 VAL 17 HG13 VAL 17 -2.350 -8.915 -6.653 151 1HG2 VAL 17 HG21 VAL 17 0.031 -8.989 -7.160 152 2HG2 VAL 17 HG22 VAL 17 1.228 -8.552 -5.942 153 3HG2 VAL 17 HG23 VAL 17 0.296 -7.293 -6.752 154 H MET 18 HN MET 18 1.513 -5.983 -3.619 155 HA MET 18 HA MET 18 0.646 -3.537 -4.844 156 1HB MET 18 HB2 MET 18 3.230 -4.440 -3.588 157 2HB MET 18 HB1 MET 18 3.104 -2.891 -4.419 158 1HG MET 18 HG2 MET 18 1.391 -3.769 -2.108 159 2HG MET 18 HG1 MET 18 2.782 -2.686 -2.003 160 1HE MET 18 HE1 MET 18 -0.635 -2.508 -1.463 161 2HE MET 18 HE2 MET 18 -0.794 -0.757 -1.614 162 3HE MET 18 HE3 MET 18 0.535 -1.448 -0.679 163 HA PRO 19 HA PRO 19 2.069 -4.473 -8.845 164 1HB PRO 19 HB2 PRO 19 2.382 -2.045 -9.947 165 2HB PRO 19 HB1 PRO 19 0.796 -2.656 -9.459 166 1HG PRO 19 HG2 PRO 19 2.551 -0.655 -8.137 167 2HG PRO 19 HG1 PRO 19 0.783 -0.747 -8.184 168 1HD PRO 19 HD2 PRO 19 2.437 -1.573 -6.068 169 2HD PRO 19 HD1 PRO 19 0.717 -1.958 -6.266 170 H ILE 20 HN ILE 20 3.807 -4.707 -10.220 171 HA ILE 20 HA ILE 20 6.428 -4.495 -9.333 172 HB ILE 20 HB ILE 20 5.970 -5.862 -11.220 173 1HG1 ILE 20 HG12 ILE 20 7.542 -4.972 -12.971 174 2HG1 ILE 20 HG11 ILE 20 7.603 -3.463 -12.067 175 1HG2 ILE 20 HG21 ILE 20 4.908 -3.372 -12.534 176 2HG2 ILE 20 HG22 ILE 20 4.039 -4.857 -12.143 177 3HG2 ILE 20 HG23 ILE 20 5.258 -4.861 -13.417 178 1HD1 ILE 20 HD11 ILE 20 8.463 -6.157 -11.039 179 2HD1 ILE 20 HD12 ILE 20 8.562 -4.627 -10.165 180 3HD1 ILE 20 HD13 ILE 20 9.531 -4.878 -11.618 181 H GLU 21 HN GLU 21 4.341 -2.176 -10.863 182 HA GLU 21 HA GLU 21 6.177 -0.184 -11.556 183 1HB GLU 21 HB2 GLU 21 3.392 0.338 -10.528 184 2HB GLU 21 HB1 GLU 21 4.289 1.230 -11.754 185 1HG GLU 21 HG2 GLU 21 3.360 -1.614 -12.071 186 2HG GLU 21 HG1 GLU 21 2.466 -0.204 -12.652 187 H LEU 22 HN LEU 22 4.827 -1.107 -8.477 188 HA LEU 22 HA LEU 22 5.682 1.275 -7.106 189 1HB LEU 22 HB2 LEU 22 3.997 0.403 -5.859 190 2HB LEU 22 HB1 LEU 22 4.281 -1.226 -6.433 191 HG LEU 22 HG LEU 22 6.293 -0.163 -4.536 192 1HD1 LEU 22 HD11 LEU 22 4.869 -0.652 -2.606 193 2HD1 LEU 22 HD12 LEU 22 3.494 -0.889 -3.685 194 3HD1 LEU 22 HD13 LEU 22 4.245 0.702 -3.549 195 1HD2 LEU 22 HD21 LEU 22 6.373 -2.451 -5.438 196 2HD2 LEU 22 HD22 LEU 22 4.787 -2.772 -4.735 197 3HD2 LEU 22 HD23 LEU 22 6.167 -2.443 -3.685 198 H ARG 23 HN ARG 23 6.760 -2.027 -7.587 199 HA ARG 23 HA ARG 23 9.097 -1.853 -5.991 200 1HB ARG 23 HB2 ARG 23 8.616 -3.582 -8.428 201 2HB ARG 23 HB1 ARG 23 9.923 -3.786 -7.267 202 1HG ARG 23 HG2 ARG 23 8.148 -4.067 -5.503 203 2HG ARG 23 HG1 ARG 23 6.982 -4.185 -6.826 204 1HD ARG 23 HD2 ARG 23 9.429 -5.914 -6.800 205 2HD ARG 23 HD1 ARG 23 8.038 -6.347 -5.812 206 HE ARG 23 HE ARG 23 6.820 -6.149 -8.101 207 1HH1 ARG 23 HH11 ARG 23 10.077 -7.352 -7.630 208 2HH1 ARG 23 HH12 ARG 23 9.952 -8.572 -8.858 209 1HH2 ARG 23 HH21 ARG 23 6.651 -7.750 -9.736 210 2HH2 ARG 23 HH22 ARG 23 8.001 -8.787 -10.063 211 H ARG 24 HN ARG 24 8.330 -0.773 -9.158 212 HA ARG 24 HA ARG 24 11.058 -0.271 -9.976 213 1HB ARG 24 HB2 ARG 24 8.366 0.369 -11.196 214 2HB ARG 24 HB1 ARG 24 9.901 0.796 -11.950 215 1HG ARG 24 HG2 ARG 24 10.493 -1.507 -12.192 216 2HG ARG 24 HG1 ARG 24 9.092 -2.018 -11.241 217 1HD ARG 24 HD2 ARG 24 8.676 -2.330 -13.623 218 2HD ARG 24 HD1 ARG 24 7.605 -1.095 -12.962 219 HE ARG 24 HE ARG 24 10.043 -0.087 -14.164 220 1HH1 ARG 24 HH11 ARG 24 6.650 -0.872 -14.635 221 2HH1 ARG 24 HH12 ARG 24 6.516 0.078 -16.083 222 1HH2 ARG 24 HH21 ARG 24 9.845 1.167 -16.058 223 2HH2 ARG 24 HH22 ARG 24 8.318 1.239 -16.889 224 H ALA 25 HN ALA 25 8.266 1.483 -8.805 225 HA ALA 25 HA ALA 25 9.226 4.104 -9.247 226 1HB ALA 25 HB1 ALA 25 7.219 3.111 -7.224 227 2HB ALA 25 HB2 ALA 25 6.862 3.626 -8.873 228 3HB ALA 25 HB3 ALA 25 7.458 4.794 -7.692 229 H LEU 26 HN LEU 26 9.318 1.932 -6.494 230 HA LEU 26 HA LEU 26 10.705 3.886 -4.878 231 1HB LEU 26 HB2 LEU 26 9.720 1.098 -4.336 232 2HB LEU 26 HB1 LEU 26 10.596 2.055 -3.150 233 HG LEU 26 HG LEU 26 7.976 2.898 -4.398 234 1HD1 LEU 26 HD11 LEU 26 8.486 1.660 -1.695 235 2HD1 LEU 26 HD12 LEU 26 7.709 0.858 -3.061 236 3HD1 LEU 26 HD13 LEU 26 6.937 2.250 -2.299 237 1HD2 LEU 26 HD21 LEU 26 9.510 3.943 -2.019 238 2HD2 LEU 26 HD22 LEU 26 7.932 4.511 -2.563 239 3HD2 LEU 26 HD23 LEU 26 9.351 4.742 -3.583 240 H ASP 27 HN ASP 27 11.477 0.481 -4.751 241 HA ASP 27 HA ASP 27 13.996 0.478 -5.957 242 1HB ASP 27 HB2 ASP 27 14.547 2.237 -4.323 243 2HB ASP 27 HB1 ASP 27 14.035 1.196 -3.005 244 H ILE 28 HN ILE 28 11.829 -1.278 -5.667 245 HA ILE 28 HA ILE 28 12.713 -3.262 -3.685 246 HB ILE 28 HB ILE 28 10.072 -2.982 -5.131 247 1HG1 ILE 28 HG12 ILE 28 9.250 -3.024 -2.701 248 2HG1 ILE 28 HG11 ILE 28 10.930 -2.770 -2.236 249 1HG2 ILE 28 HG21 ILE 28 9.341 -4.986 -3.927 250 2HG2 ILE 28 HG22 ILE 28 10.989 -5.229 -3.349 251 3HG2 ILE 28 HG23 ILE 28 10.635 -5.327 -5.076 252 1HD1 ILE 28 HD11 ILE 28 10.945 -0.679 -3.490 253 2HD1 ILE 28 HD12 ILE 28 9.691 -0.695 -2.250 254 3HD1 ILE 28 HD13 ILE 28 9.260 -0.943 -3.942 255 H ALA 29 HN ALA 29 13.490 -5.201 -4.243 256 HA ALA 29 HA ALA 29 13.790 -5.707 -7.116 257 1HB ALA 29 HB1 ALA 29 15.285 -6.926 -4.806 258 2HB ALA 29 HB2 ALA 29 15.859 -5.597 -5.812 259 3HB ALA 29 HB3 ALA 29 15.621 -7.196 -6.517 260 H ILE 30 HN ILE 30 13.174 -7.498 -4.128 261 HA ILE 30 HA ILE 30 11.232 -9.152 -5.555 262 HB ILE 30 HB ILE 30 13.386 -10.330 -5.791 263 1HG1 ILE 30 HG12 ILE 30 11.068 -11.493 -5.346 264 2HG1 ILE 30 HG11 ILE 30 12.543 -12.441 -5.438 265 1HG2 ILE 30 HG21 ILE 30 14.417 -11.359 -3.759 266 2HG2 ILE 30 HG22 ILE 30 13.392 -10.299 -2.785 267 3HG2 ILE 30 HG23 ILE 30 14.586 -9.607 -3.883 268 1HD1 ILE 30 HD11 ILE 30 11.141 -13.185 -3.617 269 2HD1 ILE 30 HD12 ILE 30 11.150 -11.566 -2.919 270 3HD1 ILE 30 HD13 ILE 30 12.643 -12.502 -2.994 271 H LYS 31 HN LYS 31 12.697 -8.013 -2.634 272 HA LYS 31 HA LYS 31 10.154 -8.364 -1.245 273 1HB LYS 31 HB2 LYS 31 12.857 -8.795 0.045 274 2HB LYS 31 HB1 LYS 31 11.283 -8.986 0.808 275 1HG LYS 31 HG2 LYS 31 10.856 -10.787 -0.954 276 2HG LYS 31 HG1 LYS 31 12.594 -10.721 -1.252 277 1HD LYS 31 HD2 LYS 31 12.155 -12.489 0.305 278 2HD LYS 31 HD1 LYS 31 12.953 -11.171 1.170 279 1HE LYS 31 HE2 LYS 31 10.829 -10.420 2.055 280 2HE LYS 31 HE1 LYS 31 9.975 -11.637 1.103 281 1HZ LYS 31 HZ1 LYS 31 10.950 -13.365 2.373 282 2HZ LYS 31 HZ2 LYS 31 10.319 -12.235 3.473 283 3HZ LYS 31 HZ3 LYS 31 11.989 -12.298 3.183 284 H ASP 32 HN ASP 32 13.379 -6.924 -1.070 285 HA ASP 32 HA ASP 32 14.111 -5.080 0.073 286 1HB ASP 32 HB2 ASP 32 12.432 -4.392 -2.233 287 2HB ASP 32 HB1 ASP 32 12.825 -3.039 -1.148 288 H SER 33 HN SER 33 11.717 -2.778 -0.075 289 HA SER 33 HA SER 33 10.569 -3.409 2.529 290 1HB SER 33 HB2 SER 33 12.380 -0.983 2.287 291 2HB SER 33 HB1 SER 33 11.570 -1.582 3.733 292 HG SER 33 HG SER 33 13.740 -2.213 3.749 293 H ILE 34 HN ILE 34 8.642 -2.368 2.825 294 HA ILE 34 HA ILE 34 8.152 0.155 1.391 295 HB ILE 34 HB ILE 34 6.089 -2.056 1.497 296 1HG1 ILE 34 HG12 ILE 34 6.418 -1.891 -1.100 297 2HG1 ILE 34 HG11 ILE 34 8.012 -1.277 -0.676 298 1HG2 ILE 34 HG21 ILE 34 5.174 0.194 1.523 299 2HG2 ILE 34 HG22 ILE 34 4.819 -0.610 -0.007 300 3HG2 ILE 34 HG23 ILE 34 6.101 0.599 0.079 301 1HD1 ILE 34 HD11 ILE 34 8.094 -3.650 -1.117 302 2HD1 ILE 34 HD12 ILE 34 6.866 -3.945 0.114 303 3HD1 ILE 34 HD13 ILE 34 8.453 -3.331 0.579 304 H GLU 35 HN GLU 35 7.878 1.547 3.046 305 HA GLU 35 HA GLU 35 6.337 0.683 5.410 306 1HB GLU 35 HB2 GLU 35 8.640 1.503 5.817 307 2HB GLU 35 HB1 GLU 35 8.224 3.029 5.051 308 1HG GLU 35 HG2 GLU 35 6.540 3.423 6.798 309 2HG GLU 35 HG1 GLU 35 7.039 1.929 7.589 310 H PHE 36 HN PHE 36 4.537 1.888 6.090 311 HA PHE 36 HA PHE 36 3.639 3.886 4.121 312 1HB PHE 36 HB2 PHE 36 1.289 2.772 5.076 313 2HB PHE 36 HB1 PHE 36 2.020 2.491 3.500 314 HD1 PHE 36 HD1 PHE 36 1.005 1.046 6.577 315 HD2 PHE 36 HD2 PHE 36 3.658 0.549 3.291 316 HE1 PHE 36 HE1 PHE 36 1.218 -1.337 7.114 317 HE2 PHE 36 HE2 PHE 36 3.880 -1.838 3.832 318 HZ PHE 36 HZ PHE 36 2.653 -2.781 5.744 319 H PHE 37 HN PHE 37 2.146 5.414 4.717 320 HA PHE 37 HA PHE 37 2.032 6.109 7.595 321 1HB PHE 37 HB2 PHE 37 3.652 7.523 6.365 322 2HB PHE 37 HB1 PHE 37 2.412 7.930 5.192 323 HD1 PHE 37 HD1 PHE 37 0.455 9.333 5.933 324 HD2 PHE 37 HD2 PHE 37 3.895 8.729 8.363 325 HE1 PHE 37 HE1 PHE 37 -0.138 11.317 7.259 326 HE2 PHE 37 HE2 PHE 37 3.301 10.707 9.699 327 HZ PHE 37 HZ PHE 37 1.285 12.006 9.148 328 H VAL 38 HN VAL 38 -0.075 6.275 8.261 329 HA VAL 38 HA VAL 38 -2.090 6.545 6.177 330 HB VAL 38 HB VAL 38 -2.561 4.774 7.683 331 1HG1 VAL 38 HG11 VAL 38 -2.441 6.782 9.931 332 2HG1 VAL 38 HG12 VAL 38 -1.254 5.517 9.608 333 3HG1 VAL 38 HG13 VAL 38 -2.896 5.085 10.086 334 1HG2 VAL 38 HG21 VAL 38 -4.436 6.228 6.880 335 2HG2 VAL 38 HG22 VAL 38 -4.403 7.028 8.451 336 3HG2 VAL 38 HG23 VAL 38 -4.788 5.309 8.346 337 H ASP 39 HN ASP 39 -3.381 8.221 5.928 338 HA ASP 39 HA ASP 39 -3.102 10.501 7.757 339 1HB ASP 39 HB2 ASP 39 -1.581 10.925 5.893 340 2HB ASP 39 HB1 ASP 39 -2.882 10.630 4.743 341 H GLY 40 HN GLY 40 -5.098 10.668 8.554 342 1HA GLY 40 HA2 GLY 40 -7.377 11.001 8.601 343 2HA GLY 40 HA1 GLY 40 -7.325 11.227 6.854 344 H ASP 41 HN ASP 41 -7.565 9.470 5.499 345 HA ASP 41 HA ASP 41 -8.278 6.908 6.762 346 1HB ASP 41 HB2 ASP 41 -9.618 8.139 4.335 347 2HB ASP 41 HB1 ASP 41 -10.004 6.578 5.047 348 H LYS 42 HN LYS 42 -6.198 8.525 4.827 349 HA LYS 42 HA LYS 42 -6.058 6.607 2.638 350 1HB LYS 42 HB2 LYS 42 -6.039 8.745 1.766 351 2HB LYS 42 HB1 LYS 42 -5.157 9.408 3.132 352 1HG LYS 42 HG2 LYS 42 -3.117 8.282 2.304 353 2HG LYS 42 HG1 LYS 42 -4.025 7.759 0.882 354 1HD LYS 42 HD2 LYS 42 -2.767 9.775 0.373 355 2HD LYS 42 HD1 LYS 42 -4.498 10.123 0.350 356 1HE LYS 42 HE2 LYS 42 -4.278 10.932 2.709 357 2HE LYS 42 HE1 LYS 42 -2.532 10.761 2.543 358 1HZ LYS 42 HZ1 LYS 42 -2.644 12.333 0.665 359 2HZ LYS 42 HZ2 LYS 42 -3.158 13.019 2.126 360 3HZ LYS 42 HZ3 LYS 42 -4.299 12.552 0.962 361 H ILE 43 HN ILE 43 -3.986 5.749 1.956 362 HA ILE 43 HA ILE 43 -2.068 5.496 4.193 363 HB ILE 43 HB ILE 43 -2.735 3.450 2.058 364 1HG1 ILE 43 HG12 ILE 43 -4.327 3.798 4.052 365 2HG1 ILE 43 HG11 ILE 43 -3.777 2.159 3.724 366 1HG2 ILE 43 HG21 ILE 43 -1.140 1.982 3.151 367 2HG2 ILE 43 HG22 ILE 43 -0.763 3.241 4.327 368 3HG2 ILE 43 HG23 ILE 43 -0.346 3.469 2.630 369 1HD1 ILE 43 HD11 ILE 43 -3.779 2.660 6.114 370 2HD1 ILE 43 HD12 ILE 43 -2.658 3.996 5.839 371 3HD1 ILE 43 HD13 ILE 43 -2.149 2.336 5.527 372 H ILE 44 HN ILE 44 0.137 5.650 3.672 373 HA ILE 44 HA ILE 44 0.743 6.643 0.957 374 HB ILE 44 HB ILE 44 1.784 7.829 3.537 375 1HG1 ILE 44 HG12 ILE 44 -0.191 9.076 1.615 376 2HG1 ILE 44 HG11 ILE 44 -0.687 8.190 3.055 377 1HG2 ILE 44 HG21 ILE 44 2.622 9.626 2.073 378 2HG2 ILE 44 HG22 ILE 44 2.075 8.714 0.666 379 3HG2 ILE 44 HG23 ILE 44 3.346 8.061 1.700 380 1HD1 ILE 44 HD11 ILE 44 1.067 10.635 3.068 381 2HD1 ILE 44 HD12 ILE 44 0.417 9.785 4.472 382 3HD1 ILE 44 HD13 ILE 44 -0.671 10.627 3.368 383 H LEU 45 HN LEU 45 2.158 5.257 0.090 384 HA LEU 45 HA LEU 45 3.885 3.681 1.833 385 1HB LEU 45 HB2 LEU 45 2.828 3.388 -0.920 386 2HB LEU 45 HB1 LEU 45 4.387 2.663 -0.587 387 HG LEU 45 HG LEU 45 3.410 1.291 1.176 388 1HD1 LEU 45 HD11 LEU 45 0.772 2.535 0.416 389 2HD1 LEU 45 HD12 LEU 45 1.661 2.863 1.903 390 3HD1 LEU 45 HD13 LEU 45 1.031 1.244 1.592 391 1HD2 LEU 45 HD21 LEU 45 1.843 1.174 -1.393 392 2HD2 LEU 45 HD22 LEU 45 2.020 -0.136 -0.225 393 3HD2 LEU 45 HD23 LEU 45 3.427 0.453 -1.111 394 H LYS 46 HN LYS 46 6.009 3.714 1.865 395 HA LYS 46 HA LYS 46 7.576 5.226 -0.088 396 1HB LYS 46 HB2 LYS 46 7.115 6.876 1.639 397 2HB LYS 46 HB1 LYS 46 7.555 5.735 2.901 398 1HG LYS 46 HG2 LYS 46 9.839 5.772 1.475 399 2HG LYS 46 HG1 LYS 46 9.255 7.411 1.186 400 1HD LYS 46 HD2 LYS 46 10.725 7.315 3.150 401 2HD LYS 46 HD1 LYS 46 9.083 7.786 3.596 402 1HE LYS 46 HE2 LYS 46 8.606 5.575 4.400 403 2HE LYS 46 HE1 LYS 46 10.142 4.969 3.786 404 1HZ LYS 46 HZ1 LYS 46 11.320 6.257 5.394 405 2HZ LYS 46 HZ2 LYS 46 10.102 5.394 6.217 406 3HZ LYS 46 HZ3 LYS 46 9.905 7.043 5.894 407 H LYS 47 HN LYS 47 9.624 4.336 -0.361 408 HA LYS 47 HA LYS 47 10.136 1.777 0.859 409 1HB LYS 47 HB2 LYS 47 10.844 2.850 -1.524 410 2HB LYS 47 HB1 LYS 47 12.314 3.157 -0.609 411 1HG LYS 47 HG2 LYS 47 11.202 0.441 -0.392 412 2HG LYS 47 HG1 LYS 47 11.843 0.895 -1.972 413 1HD LYS 47 HD2 LYS 47 13.968 1.537 -0.865 414 2HD LYS 47 HD1 LYS 47 13.310 0.956 0.667 415 1HE LYS 47 HE2 LYS 47 13.199 -1.273 -0.118 416 2HE LYS 47 HE1 LYS 47 13.468 -0.777 -1.784 417 1HZ LYS 47 HZ1 LYS 47 15.468 -0.636 0.413 418 2HZ LYS 47 HZ2 LYS 47 15.723 -0.131 -1.191 419 3HZ LYS 47 HZ3 LYS 47 15.440 -1.769 -0.851 420 H TYR 48 HN TYR 48 11.913 1.279 2.280 421 HA TYR 48 HA TYR 48 12.137 3.342 4.260 422 1HB TYR 48 HB2 TYR 48 11.849 0.826 4.683 423 2HB TYR 48 HB1 TYR 48 13.578 0.706 4.334 424 HD1 TYR 48 HD1 TYR 48 15.105 0.977 6.079 425 HD2 TYR 48 HD2 TYR 48 11.190 2.586 6.488 426 HE1 TYR 48 HE1 TYR 48 15.623 1.637 8.393 427 HE2 TYR 48 HE2 TYR 48 11.695 3.246 8.798 428 HH TYR 48 HH TYR 48 13.223 2.639 10.595 429 H LYS 49 HN LYS 49 14.506 1.502 2.374 430 HA LYS 49 HA LYS 49 16.861 2.579 3.179 431 1HB LYS 49 HB2 LYS 49 16.683 0.762 1.563 432 2HB LYS 49 HB1 LYS 49 16.089 1.880 0.345 433 1HG LYS 49 HG2 LYS 49 18.239 3.061 0.397 434 2HG LYS 49 HG1 LYS 49 18.833 1.900 1.587 435 1HD LYS 49 HD2 LYS 49 18.540 0.084 0.002 436 2HD LYS 49 HD1 LYS 49 17.857 1.200 -1.182 437 1HE LYS 49 HE2 LYS 49 20.005 2.425 -1.200 438 2HE LYS 49 HE1 LYS 49 20.670 1.220 -0.096 439 1HZ LYS 49 HZ1 LYS 49 19.650 0.692 -2.838 440 2HZ LYS 49 HZ2 LYS 49 20.252 -0.482 -1.777 441 3HZ LYS 49 HZ3 LYS 49 21.278 0.727 -2.372 442 HA PRO 50 HA PRO 50 16.561 6.394 0.199 443 1HB PRO 50 HB2 PRO 50 13.708 6.500 -0.529 444 2HB PRO 50 HB1 PRO 50 15.134 6.685 -1.554 445 1HG PRO 50 HG2 PRO 50 13.595 4.502 -1.694 446 2HG PRO 50 HG1 PRO 50 15.357 4.411 -1.885 447 1HD PRO 50 HD2 PRO 50 13.676 3.780 0.518 448 2HD PRO 50 HD1 PRO 50 15.050 2.879 -0.161 449 H HIS 51 HN HIS 51 16.274 8.403 1.056 450 HA HIS 51 HA HIS 51 14.700 8.496 3.513 451 1HB HIS 51 HB2 HIS 51 16.668 10.545 2.470 452 2HB HIS 51 HB1 HIS 51 15.999 10.452 4.096 453 HD1 HIS 51 HD1 HIS 51 16.698 8.102 5.397 454 HD2 HIS 51 HD2 HIS 51 19.068 9.369 2.222 455 HE1 HIS 51 HE1 HIS 51 18.883 6.881 5.648 456 HE2 HIS 51 HE2 HIS 51 20.242 7.548 3.627 457 H GLY 52 HN GLY 52 13.275 10.262 3.955 458 1HA GLY 52 HA2 GLY 52 12.589 12.295 2.204 459 2HA GLY 52 HA1 GLY 52 11.632 10.899 1.727 460 H VAL 53 HN VAL 53 9.651 11.600 2.343 461 HA VAL 53 HA VAL 53 9.266 12.841 4.903 462 HB VAL 53 HB VAL 53 7.908 13.616 3.070 463 1HG1 VAL 53 HG11 VAL 53 6.191 12.223 2.025 464 2HG1 VAL 53 HG12 VAL 53 6.744 10.834 2.961 465 3HG1 VAL 53 HG13 VAL 53 7.804 11.560 1.753 466 1HG2 VAL 53 HG21 VAL 53 6.016 12.136 4.863 467 2HG2 VAL 53 HG22 VAL 53 5.869 13.765 4.195 468 3HG2 VAL 53 HG23 VAL 53 7.039 13.433 5.478 469 H CYS 54 HN CYS 54 8.597 12.002 6.724 470 HA CYS 54 HA CYS 54 7.881 9.150 6.821 471 1HB CYS 54 HB2 CYS 54 8.690 11.099 8.995 472 2HB CYS 54 HB1 CYS 54 8.144 9.451 9.309 473 HG CYS 54 HG CYS 54 11.143 10.553 8.439 474 1H MET 1 HT1 MET 1 9.717 8.219 12.699 475 2H MET 1 HT2 MET 1 10.333 7.954 11.146 476 3H MET 1 HT3 MET 1 10.927 7.051 12.450 477 HA MET 1 HA MET 1 9.449 5.694 11.172 478 1HB MET 1 HB2 MET 1 8.188 6.662 13.750 479 2HB MET 1 HB1 MET 1 7.726 5.196 12.904 480 1HG MET 1 HG2 MET 1 9.917 4.247 13.281 481 2HG MET 1 HG1 MET 1 10.449 5.739 14.058 482 1HE MET 1 HE1 MET 1 11.251 4.397 16.213 483 2HE MET 1 HE2 MET 1 10.768 2.897 15.421 484 3HE MET 1 HE3 MET 1 10.236 3.237 17.069 485 H LYS 2 HN LYS 2 7.245 5.302 10.490 486 HA LYS 2 HA LYS 2 5.983 7.693 9.439 487 1HB LYS 2 HB2 LYS 2 5.651 4.738 9.021 488 2HB LYS 2 HB1 LYS 2 4.404 5.853 8.481 489 1HG LYS 2 HG2 LYS 2 7.280 6.100 7.651 490 2HG LYS 2 HG1 LYS 2 6.084 5.161 6.748 491 1HD LYS 2 HD2 LYS 2 4.691 7.326 6.823 492 2HD LYS 2 HD1 LYS 2 6.218 8.104 7.236 493 1HE LYS 2 HE2 LYS 2 7.219 7.198 5.190 494 2HE LYS 2 HE1 LYS 2 5.668 6.464 4.773 495 1HZ LYS 2 HZ1 LYS 2 4.715 8.507 4.358 496 2HZ LYS 2 HZ2 LYS 2 6.291 8.760 3.793 497 3HZ LYS 2 HZ3 LYS 2 5.828 9.359 5.311 498 H SER 3 HN SER 3 3.469 7.498 9.400 499 HA SER 3 HA SER 3 2.412 7.855 11.940 500 1HB SER 3 HB2 SER 3 1.339 8.679 9.876 501 2HB SER 3 HB1 SER 3 0.957 7.021 9.417 502 HG SER 3 HG SER 3 -0.220 8.676 11.306 503 H ILE 4 HN ILE 4 2.398 5.023 9.835 504 HA ILE 4 HA ILE 4 1.221 3.384 11.926 505 HB ILE 4 HB ILE 4 2.345 2.257 9.382 506 1HG1 ILE 4 HG12 ILE 4 -0.286 3.743 9.658 507 2HG1 ILE 4 HG11 ILE 4 1.072 4.198 8.629 508 1HG2 ILE 4 HG21 ILE 4 0.680 0.589 9.677 509 2HG2 ILE 4 HG22 ILE 4 -0.180 1.563 10.872 510 3HG2 ILE 4 HG23 ILE 4 1.392 0.867 11.267 511 1HD1 ILE 4 HD11 ILE 4 -0.580 1.703 8.310 512 2HD1 ILE 4 HD12 ILE 4 0.720 2.252 7.247 513 3HD1 ILE 4 HD13 ILE 4 -0.770 3.187 7.377 514 H GLY 5 HN GLY 5 4.234 3.835 10.177 515 1HA GLY 5 HA2 GLY 5 6.401 3.614 10.934 516 2HA GLY 5 HA1 GLY 5 5.765 3.097 12.488 517 H VAL 6 HN VAL 6 4.637 1.453 9.708 518 HA VAL 6 HA VAL 6 6.345 -0.834 10.413 519 HB VAL 6 HB VAL 6 4.513 -2.274 9.497 520 1HG1 VAL 6 HG11 VAL 6 3.004 -2.007 11.450 521 2HG1 VAL 6 HG12 VAL 6 3.834 -0.501 11.844 522 3HG1 VAL 6 HG13 VAL 6 4.712 -2.031 11.883 523 1HG2 VAL 6 HG21 VAL 6 3.179 0.391 9.263 524 2HG2 VAL 6 HG22 VAL 6 2.220 -1.064 9.530 525 3HG2 VAL 6 HG23 VAL 6 3.247 -0.931 8.100 526 H VAL 7 HN VAL 7 7.554 -1.716 8.890 527 HA VAL 7 HA VAL 7 7.127 -0.846 6.114 528 HB VAL 7 HB VAL 7 9.248 -0.043 7.052 529 1HG1 VAL 7 HG11 VAL 7 9.933 -2.957 7.381 530 2HG1 VAL 7 HG12 VAL 7 9.710 -1.777 8.673 531 3HG1 VAL 7 HG13 VAL 7 11.065 -1.616 7.556 532 1HG2 VAL 7 HG21 VAL 7 10.749 -1.046 5.279 533 2HG2 VAL 7 HG22 VAL 7 9.235 -0.328 4.726 534 3HG2 VAL 7 HG23 VAL 7 9.377 -2.082 4.857 535 H ARG 8 HN ARG 8 7.119 -2.369 4.518 536 HA ARG 8 HA ARG 8 6.737 -5.115 5.501 537 1HB ARG 8 HB2 ARG 8 5.595 -3.653 3.152 538 2HB ARG 8 HB1 ARG 8 5.481 -5.394 3.308 539 1HG ARG 8 HG2 ARG 8 4.016 -3.246 4.644 540 2HG ARG 8 HG1 ARG 8 3.494 -4.870 4.195 541 1HD ARG 8 HD2 ARG 8 4.868 -5.721 6.121 542 2HD ARG 8 HD1 ARG 8 5.125 -4.042 6.583 543 HE ARG 8 HE ARG 8 2.359 -4.598 6.280 544 1HH1 ARG 8 HH11 ARG 8 5.034 -5.114 8.486 545 2HH1 ARG 8 HH12 ARG 8 4.018 -5.223 9.892 546 1HH2 ARG 8 HH21 ARG 8 1.028 -4.736 8.120 547 2HH2 ARG 8 HH22 ARG 8 1.734 -4.989 9.689 548 H LYS 9 HN LYS 9 7.182 -6.798 3.890 549 HA LYS 9 HA LYS 9 9.475 -6.144 2.156 550 1HB LYS 9 HB2 LYS 9 9.106 -8.723 3.703 551 2HB LYS 9 HB1 LYS 9 10.515 -8.244 2.764 552 1HG LYS 9 HG2 LYS 9 9.566 -7.083 5.376 553 2HG LYS 9 HG1 LYS 9 11.039 -8.005 5.082 554 1HD LYS 9 HD2 LYS 9 11.882 -6.198 3.659 555 2HD LYS 9 HD1 LYS 9 10.403 -5.272 3.944 556 1HE LYS 9 HE2 LYS 9 12.059 -4.396 5.392 557 2HE LYS 9 HE1 LYS 9 10.962 -5.344 6.392 558 1HZ LYS 9 HZ1 LYS 9 13.627 -6.214 5.407 559 2HZ LYS 9 HZ2 LYS 9 12.568 -7.179 6.309 560 3HZ LYS 9 HZ3 LYS 9 13.238 -5.781 7.000 561 H VAL 10 HN VAL 10 8.963 -6.549 0.106 562 HA VAL 10 HA VAL 10 6.519 -7.601 -0.701 563 HB VAL 10 HB VAL 10 9.071 -7.004 -2.185 564 1HG1 VAL 10 HG11 VAL 10 6.598 -8.227 -3.396 565 2HG1 VAL 10 HG12 VAL 10 8.195 -8.971 -3.304 566 3HG1 VAL 10 HG13 VAL 10 7.948 -7.533 -4.295 567 1HG2 VAL 10 HG21 VAL 10 7.650 -5.152 -1.553 568 2HG2 VAL 10 HG22 VAL 10 6.269 -5.919 -2.337 569 3HG2 VAL 10 HG23 VAL 10 7.639 -5.369 -3.303 570 H ASP 11 HN ASP 11 5.844 -9.501 -1.441 571 HA ASP 11 HA ASP 11 6.946 -11.895 -0.479 572 1HB ASP 11 HB2 ASP 11 4.578 -11.689 -0.874 573 2HB ASP 11 HB1 ASP 11 4.837 -11.328 -2.573 574 H GLU 12 HN GLU 12 6.261 -11.410 -3.902 575 HA GLU 12 HA GLU 12 9.063 -11.572 -4.646 576 1HB GLU 12 HB2 GLU 12 7.049 -13.525 -5.800 577 2HB GLU 12 HB1 GLU 12 8.728 -13.361 -6.284 578 1HG GLU 12 HG2 GLU 12 9.336 -14.033 -3.929 579 2HG GLU 12 HG1 GLU 12 7.633 -14.448 -3.720 580 H LEU 13 HN LEU 13 5.729 -11.634 -5.714 581 HA LEU 13 HA LEU 13 6.246 -10.314 -8.207 582 1HB LEU 13 HB2 LEU 13 3.525 -10.623 -6.989 583 2HB LEU 13 HB1 LEU 13 3.983 -10.677 -8.679 584 HG LEU 13 HG LEU 13 5.235 -12.878 -7.959 585 1HD1 LEU 13 HD11 LEU 13 4.004 -14.098 -6.215 586 2HD1 LEU 13 HD12 LEU 13 3.110 -12.625 -5.838 587 3HD1 LEU 13 HD13 LEU 13 4.853 -12.688 -5.581 588 1HD2 LEU 13 HD21 LEU 13 3.463 -12.834 -9.585 589 2HD2 LEU 13 HD22 LEU 13 2.251 -12.682 -8.312 590 3HD2 LEU 13 HD23 LEU 13 3.198 -14.164 -8.458 591 H GLY 14 HN GLY 14 5.628 -9.338 -5.018 592 1HA GLY 14 HA2 GLY 14 5.982 -6.881 -4.673 593 2HA GLY 14 HA1 GLY 14 4.721 -6.669 -5.893 594 H ARG 15 HN ARG 15 3.801 -9.330 -4.316 595 HA ARG 15 HA ARG 15 1.683 -8.121 -2.913 596 1HB ARG 15 HB2 ARG 15 2.829 -10.888 -2.468 597 2HB ARG 15 HB1 ARG 15 1.213 -10.342 -2.036 598 1HG ARG 15 HG2 ARG 15 0.868 -9.924 -4.519 599 2HG ARG 15 HG1 ARG 15 2.345 -10.857 -4.762 600 1HD ARG 15 HD2 ARG 15 -0.136 -11.816 -3.344 601 2HD ARG 15 HD1 ARG 15 0.337 -12.246 -4.984 602 HE ARG 15 HE ARG 15 2.475 -13.051 -3.569 603 1HH1 ARG 15 HH11 ARG 15 -0.955 -13.521 -3.040 604 2HH1 ARG 15 HH12 ARG 15 -0.766 -15.089 -2.324 605 1HH2 ARG 15 HH21 ARG 15 2.738 -15.108 -2.603 606 2HH2 ARG 15 HH22 ARG 15 1.331 -15.988 -2.063 607 H ILE 16 HN ILE 16 1.595 -7.261 -0.910 608 HA ILE 16 HA ILE 16 3.561 -8.155 1.070 609 HB ILE 16 HB ILE 16 4.297 -6.079 1.732 610 1HG1 ILE 16 HG12 ILE 16 1.782 -4.938 0.511 611 2HG1 ILE 16 HG11 ILE 16 2.268 -4.974 2.211 612 1HG2 ILE 16 HG21 ILE 16 5.124 -6.504 -0.520 613 2HG2 ILE 16 HG22 ILE 16 4.959 -4.777 -0.211 614 3HG2 ILE 16 HG23 ILE 16 3.760 -5.615 -1.196 615 1HD1 ILE 16 HD11 ILE 16 2.479 -2.741 1.309 616 2HD1 ILE 16 HD12 ILE 16 3.547 -3.330 0.036 617 3HD1 ILE 16 HD13 ILE 16 4.067 -3.391 1.721 618 H VAL 17 HN VAL 17 2.806 -6.942 3.276 619 HA VAL 17 HA VAL 17 -0.026 -7.668 3.463 620 HB VAL 17 HB VAL 17 1.183 -9.164 4.811 621 1HG1 VAL 17 HG11 VAL 17 2.717 -6.792 5.854 622 2HG1 VAL 17 HG12 VAL 17 3.330 -8.151 4.911 623 3HG1 VAL 17 HG13 VAL 17 2.789 -8.402 6.570 624 1HG2 VAL 17 HG21 VAL 17 -0.786 -8.315 5.924 625 2HG2 VAL 17 HG22 VAL 17 0.144 -6.981 6.613 626 3HG2 VAL 17 HG23 VAL 17 0.480 -8.642 7.109 627 H MET 18 HN MET 18 -1.238 -5.884 3.353 628 HA MET 18 HA MET 18 -0.446 -3.388 4.534 629 1HB MET 18 HB2 MET 18 -3.032 -4.397 3.362 630 2HB MET 18 HB1 MET 18 -2.940 -2.847 4.186 631 1HG MET 18 HG2 MET 18 -1.200 -3.564 1.845 632 2HG MET 18 HG1 MET 18 -2.770 -2.781 1.681 633 1HE MET 18 HE1 MET 18 0.855 -2.382 3.305 634 2HE MET 18 HE2 MET 18 1.178 -0.833 2.522 635 3HE MET 18 HE3 MET 18 0.767 -2.247 1.548 636 HA PRO 19 HA PRO 19 -1.784 -4.341 8.551 637 1HB PRO 19 HB2 PRO 19 -2.100 -1.859 9.597 638 2HB PRO 19 HB1 PRO 19 -0.526 -2.564 9.224 639 1HG PRO 19 HG2 PRO 19 -1.990 -0.428 7.850 640 2HG PRO 19 HG1 PRO 19 -0.263 -0.824 7.804 641 1HD PRO 19 HD2 PRO 19 -2.271 -1.445 5.853 642 2HD PRO 19 HD1 PRO 19 -0.546 -1.857 5.824 643 H ILE 20 HN ILE 20 -3.501 -4.550 9.953 644 HA ILE 20 HA ILE 20 -6.131 -4.293 9.116 645 HB ILE 20 HB ILE 20 -5.667 -5.617 11.047 646 1HG1 ILE 20 HG12 ILE 20 -7.264 -4.639 12.732 647 2HG1 ILE 20 HG11 ILE 20 -7.298 -3.175 11.747 648 1HG2 ILE 20 HG21 ILE 20 -4.685 -3.084 12.345 649 2HG2 ILE 20 HG22 ILE 20 -3.733 -4.510 11.924 650 3HG2 ILE 20 HG23 ILE 20 -4.948 -4.606 13.199 651 1HD1 ILE 20 HD11 ILE 20 -8.175 -4.434 9.882 652 2HD1 ILE 20 HD12 ILE 20 -9.212 -4.589 11.301 653 3HD1 ILE 20 HD13 ILE 20 -8.138 -5.913 10.841 654 H GLU 21 HN GLU 21 -3.987 -1.962 10.557 655 HA GLU 21 HA GLU 21 -5.818 0.041 11.244 656 1HB GLU 21 HB2 GLU 21 -2.995 0.426 10.228 657 2HB GLU 21 HB1 GLU 21 -3.909 1.523 11.257 658 1HG GLU 21 HG2 GLU 21 -3.129 -1.272 12.048 659 2HG GLU 21 HG1 GLU 21 -2.194 0.173 12.451 660 H LEU 22 HN LEU 22 -4.540 -0.951 8.155 661 HA LEU 22 HA LEU 22 -5.413 1.413 6.755 662 1HB LEU 22 HB2 LEU 22 -3.751 0.495 5.496 663 2HB LEU 22 HB1 LEU 22 -4.078 -1.131 6.062 664 HG LEU 22 HG LEU 22 -6.134 -0.028 4.259 665 1HD1 LEU 22 HD11 LEU 22 -4.797 -0.393 2.246 666 2HD1 LEU 22 HD12 LEU 22 -3.366 -0.667 3.241 667 3HD1 LEU 22 HD13 LEU 22 -4.139 0.919 3.224 668 1HD2 LEU 22 HD21 LEU 22 -6.072 -2.358 5.118 669 2HD2 LEU 22 HD22 LEU 22 -4.568 -2.606 4.223 670 3HD2 LEU 22 HD23 LEU 22 -6.063 -2.258 3.353 671 H ARG 23 HN ARG 23 -6.470 -1.887 7.280 672 HA ARG 23 HA ARG 23 -8.847 -1.706 5.755 673 1HB ARG 23 HB2 ARG 23 -8.267 -3.476 8.137 674 2HB ARG 23 HB1 ARG 23 -9.568 -3.716 6.973 675 1HG ARG 23 HG2 ARG 23 -7.722 -3.787 5.212 676 2HG ARG 23 HG1 ARG 23 -6.612 -3.987 6.566 677 1HD ARG 23 HD2 ARG 23 -8.957 -5.777 5.938 678 2HD ARG 23 HD1 ARG 23 -7.281 -6.124 5.534 679 HE ARG 23 HE ARG 23 -6.929 -6.032 8.051 680 1HH1 ARG 23 HH11 ARG 23 -9.978 -6.957 6.614 681 2HH1 ARG 23 HH12 ARG 23 -10.369 -8.104 7.853 682 1HH2 ARG 23 HH21 ARG 23 -7.439 -7.550 9.702 683 2HH2 ARG 23 HH22 ARG 23 -8.938 -8.430 9.607 684 H ARG 24 HN ARG 24 -8.006 -0.673 8.920 685 HA ARG 24 HA ARG 24 -10.710 -0.093 9.775 686 1HB ARG 24 HB2 ARG 24 -8.002 0.598 10.941 687 2HB ARG 24 HB1 ARG 24 -9.538 0.979 11.714 688 1HG ARG 24 HG2 ARG 24 -10.040 -1.370 11.957 689 2HG ARG 24 HG1 ARG 24 -8.583 -1.802 11.057 690 1HD ARG 24 HD2 ARG 24 -8.096 -2.073 13.376 691 2HD ARG 24 HD1 ARG 24 -7.251 -0.627 12.821 692 HE ARG 24 HE ARG 24 -9.872 -0.265 14.056 693 1HH1 ARG 24 HH11 ARG 24 -6.370 -0.081 14.402 694 2HH1 ARG 24 HH12 ARG 24 -6.462 0.955 15.800 695 1HH2 ARG 24 HH21 ARG 24 -9.967 1.043 15.881 696 2HH2 ARG 24 HH22 ARG 24 -8.503 1.585 16.649 697 H ALA 25 HN ALA 25 -8.012 1.485 8.295 698 HA ALA 25 HA ALA 25 -8.729 4.193 8.731 699 1HB ALA 25 HB1 ALA 25 -7.043 2.880 6.597 700 2HB ALA 25 HB2 ALA 25 -6.467 3.553 8.133 701 3HB ALA 25 HB3 ALA 25 -7.121 4.624 6.892 702 H LEU 26 HN LEU 26 -9.042 2.014 5.982 703 HA LEU 26 HA LEU 26 -10.457 4.013 4.462 704 1HB LEU 26 HB2 LEU 26 -9.647 1.187 3.818 705 2HB LEU 26 HB1 LEU 26 -10.416 2.276 2.679 706 HG LEU 26 HG LEU 26 -7.766 2.874 3.982 707 1HD1 LEU 26 HD11 LEU 26 -8.302 1.580 1.308 708 2HD1 LEU 26 HD12 LEU 26 -7.577 0.796 2.711 709 3HD1 LEU 26 HD13 LEU 26 -6.729 2.113 1.902 710 1HD2 LEU 26 HD21 LEU 26 -8.998 4.785 3.059 711 2HD2 LEU 26 HD22 LEU 26 -9.119 3.955 1.508 712 3HD2 LEU 26 HD23 LEU 26 -7.541 4.443 2.126 713 H ASP 27 HN ASP 27 -11.207 0.593 4.527 714 HA ASP 27 HA ASP 27 -13.715 0.572 5.687 715 1HB ASP 27 HB2 ASP 27 -14.222 2.360 4.015 716 2HB ASP 27 HB1 ASP 27 -13.837 1.232 2.727 717 H ILE 28 HN ILE 28 -11.685 -1.229 5.547 718 HA ILE 28 HA ILE 28 -12.458 -3.159 3.450 719 HB ILE 28 HB ILE 28 -9.799 -2.978 4.903 720 1HG1 ILE 28 HG12 ILE 28 -8.837 -2.549 2.695 721 2HG1 ILE 28 HG11 ILE 28 -10.441 -2.647 1.951 722 1HG2 ILE 28 HG21 ILE 28 -9.163 -4.829 3.322 723 2HG2 ILE 28 HG22 ILE 28 -10.879 -5.011 2.969 724 3HG2 ILE 28 HG23 ILE 28 -10.283 -5.273 4.608 725 1HD1 ILE 28 HD11 ILE 28 -11.100 -0.691 3.258 726 2HD1 ILE 28 HD12 ILE 28 -9.750 -0.373 2.156 727 3HD1 ILE 28 HD13 ILE 28 -9.450 -0.582 3.886 728 H ALA 29 HN ALA 29 -13.261 -5.031 3.994 729 HA ALA 29 HA ALA 29 -13.580 -5.532 6.857 730 1HB ALA 29 HB1 ALA 29 -15.145 -6.638 4.550 731 2HB ALA 29 HB2 ALA 29 -15.580 -5.206 5.479 732 3HB ALA 29 HB3 ALA 29 -15.542 -6.791 6.263 733 H ILE 30 HN ILE 30 -12.905 -7.276 3.846 734 HA ILE 30 HA ILE 30 -11.048 -8.979 5.291 735 HB ILE 30 HB ILE 30 -13.233 -10.135 5.495 736 1HG1 ILE 30 HG12 ILE 30 -10.914 -11.302 5.210 737 2HG1 ILE 30 HG11 ILE 30 -12.386 -12.262 5.194 738 1HG2 ILE 30 HG21 ILE 30 -14.321 -9.436 3.479 739 2HG2 ILE 30 HG22 ILE 30 -14.222 -11.198 3.493 740 3HG2 ILE 30 HG23 ILE 30 -13.111 -10.259 2.495 741 1HD1 ILE 30 HD11 ILE 30 -10.840 -12.994 3.487 742 2HD1 ILE 30 HD12 ILE 30 -10.819 -11.376 2.786 743 3HD1 ILE 30 HD13 ILE 30 -12.301 -12.331 2.754 744 H LYS 31 HN LYS 31 -12.526 -7.951 2.296 745 HA LYS 31 HA LYS 31 -9.917 -8.233 0.980 746 1HB LYS 31 HB2 LYS 31 -12.580 -8.759 -0.367 747 2HB LYS 31 HB1 LYS 31 -10.990 -8.875 -1.110 748 1HG LYS 31 HG2 LYS 31 -10.466 -10.686 0.555 749 2HG LYS 31 HG1 LYS 31 -12.171 -10.654 1.003 750 1HD LYS 31 HD2 LYS 31 -11.876 -12.411 -0.579 751 2HD LYS 31 HD1 LYS 31 -12.720 -11.096 -1.399 752 1HE LYS 31 HE2 LYS 31 -10.686 -10.392 -2.479 753 2HE LYS 31 HE1 LYS 31 -9.743 -11.558 -1.549 754 1HZ LYS 31 HZ1 LYS 31 -10.167 -12.364 -3.782 755 2HZ LYS 31 HZ2 LYS 31 -11.840 -12.229 -3.548 756 3HZ LYS 31 HZ3 LYS 31 -10.944 -13.353 -2.647 757 H ASP 32 HN ASP 32 -13.122 -6.808 0.850 758 HA ASP 32 HA ASP 32 -13.916 -4.987 -0.243 759 1HB ASP 32 HB2 ASP 32 -12.204 -4.285 2.004 760 2HB ASP 32 HB1 ASP 32 -12.536 -2.920 0.915 761 H SER 33 HN SER 33 -11.200 -2.908 -0.099 762 HA SER 33 HA SER 33 -10.307 -3.367 -2.795 763 1HB SER 33 HB2 SER 33 -12.075 -0.949 -2.303 764 2HB SER 33 HB1 SER 33 -11.246 -1.355 -3.808 765 HG SER 33 HG SER 33 -12.724 -3.449 -3.087 766 H ILE 34 HN ILE 34 -8.337 -2.387 -3.099 767 HA ILE 34 HA ILE 34 -7.799 0.142 -1.705 768 HB ILE 34 HB ILE 34 -5.741 -2.078 -1.782 769 1HG1 ILE 34 HG12 ILE 34 -6.007 -1.809 0.809 770 2HG1 ILE 34 HG11 ILE 34 -7.606 -1.197 0.399 771 1HG2 ILE 34 HG21 ILE 34 -4.802 0.152 -1.907 772 2HG2 ILE 34 HG22 ILE 34 -4.446 -0.581 -0.343 773 3HG2 ILE 34 HG23 ILE 34 -5.715 0.637 -0.477 774 1HD1 ILE 34 HD11 ILE 34 -7.743 -3.531 0.917 775 2HD1 ILE 34 HD12 ILE 34 -6.490 -3.904 -0.270 776 3HD1 ILE 34 HD13 ILE 34 -8.057 -3.296 -0.805 777 H GLU 35 HN GLU 35 -7.695 1.420 -3.482 778 HA GLU 35 HA GLU 35 -6.168 0.536 -5.828 779 1HB GLU 35 HB2 GLU 35 -8.391 1.529 -6.211 780 2HB GLU 35 HB1 GLU 35 -7.903 2.984 -5.356 781 1HG GLU 35 HG2 GLU 35 -6.108 3.240 -7.139 782 2HG GLU 35 HG1 GLU 35 -6.977 1.995 -8.034 783 H PHE 36 HN PHE 36 -4.263 1.605 -6.510 784 HA PHE 36 HA PHE 36 -3.310 3.626 -4.572 785 1HB PHE 36 HB2 PHE 36 -1.057 2.479 -5.885 786 2HB PHE 36 HB1 PHE 36 -1.441 2.535 -4.175 787 HD1 PHE 36 HD1 PHE 36 -1.084 0.469 -7.047 788 HD2 PHE 36 HD2 PHE 36 -2.904 0.715 -3.216 789 HE1 PHE 36 HE1 PHE 36 -1.329 -1.976 -7.011 790 HE2 PHE 36 HE2 PHE 36 -3.157 -1.729 -3.176 791 HZ PHE 36 HZ PHE 36 -2.367 -3.075 -5.074 792 H PHE 37 HN PHE 37 -1.745 5.110 -5.226 793 HA PHE 37 HA PHE 37 -1.774 5.907 -8.070 794 1HB PHE 37 HB2 PHE 37 -3.459 7.246 -6.858 795 2HB PHE 37 HB1 PHE 37 -2.272 7.659 -5.631 796 HD1 PHE 37 HD1 PHE 37 -0.270 9.075 -6.348 797 HD2 PHE 37 HD2 PHE 37 -3.751 8.577 -8.737 798 HE1 PHE 37 HE1 PHE 37 0.302 11.113 -7.597 799 HE2 PHE 37 HE2 PHE 37 -3.180 10.611 -9.996 800 HZ PHE 37 HZ PHE 37 -1.152 11.882 -9.426 801 H VAL 38 HN VAL 38 0.323 6.235 -8.739 802 HA VAL 38 HA VAL 38 2.337 6.397 -6.638 803 HB VAL 38 HB VAL 38 2.672 4.758 -8.444 804 1HG1 VAL 38 HG11 VAL 38 1.713 5.995 -10.306 805 2HG1 VAL 38 HG12 VAL 38 3.352 5.454 -10.665 806 3HG1 VAL 38 HG13 VAL 38 3.053 7.140 -10.239 807 1HG2 VAL 38 HG21 VAL 38 4.667 6.944 -8.006 808 2HG2 VAL 38 HG22 VAL 38 5.050 5.556 -9.028 809 3HG2 VAL 38 HG23 VAL 38 4.633 5.312 -7.332 810 H ASP 39 HN ASP 39 3.630 8.099 -6.312 811 HA ASP 39 HA ASP 39 3.214 10.501 -7.956 812 1HB ASP 39 HB2 ASP 39 1.722 10.553 -5.938 813 2HB ASP 39 HB1 ASP 39 3.161 10.476 -4.928 814 H GLY 40 HN GLY 40 5.181 10.866 -8.744 815 1HA GLY 40 HA2 GLY 40 7.468 11.054 -8.884 816 2HA GLY 40 HA1 GLY 40 7.486 11.235 -7.133 817 H ASP 41 HN ASP 41 7.942 9.493 -5.846 818 HA ASP 41 HA ASP 41 8.510 6.946 -7.229 819 1HB ASP 41 HB2 ASP 41 9.826 7.962 -4.700 820 2HB ASP 41 HB1 ASP 41 10.247 6.508 -5.595 821 H LYS 42 HN LYS 42 6.506 8.489 -5.029 822 HA LYS 42 HA LYS 42 6.413 6.285 -3.122 823 1HB LYS 42 HB2 LYS 42 5.724 7.773 -1.564 824 2HB LYS 42 HB1 LYS 42 6.394 8.955 -2.681 825 1HG LYS 42 HG2 LYS 42 4.211 9.364 -3.617 826 2HG LYS 42 HG1 LYS 42 3.510 8.090 -2.600 827 1HD LYS 42 HD2 LYS 42 3.011 10.164 -1.550 828 2HD LYS 42 HD1 LYS 42 4.328 9.443 -0.619 829 1HE LYS 42 HE2 LYS 42 4.973 11.677 -0.886 830 2HE LYS 42 HE1 LYS 42 5.878 10.795 -2.116 831 1HZ LYS 42 HZ1 LYS 42 4.886 12.864 -2.948 832 2HZ LYS 42 HZ2 LYS 42 3.341 12.245 -2.631 833 3HZ LYS 42 HZ3 LYS 42 4.335 11.499 -3.782 834 H ILE 43 HN ILE 43 4.152 5.796 -2.263 835 HA ILE 43 HA ILE 43 2.330 5.508 -4.563 836 HB ILE 43 HB ILE 43 2.794 3.432 -2.402 837 1HG1 ILE 43 HG12 ILE 43 4.686 3.644 -4.033 838 2HG1 ILE 43 HG11 ILE 43 3.889 2.075 -4.062 839 1HG2 ILE 43 HG21 ILE 43 1.123 3.305 -4.904 840 2HG2 ILE 43 HG22 ILE 43 0.506 3.475 -3.262 841 3HG2 ILE 43 HG23 ILE 43 1.353 2.002 -3.739 842 1HD1 ILE 43 HD11 ILE 43 4.309 2.687 -6.305 843 2HD1 ILE 43 HD12 ILE 43 3.649 4.306 -6.059 844 3HD1 ILE 43 HD13 ILE 43 2.579 2.904 -6.038 845 H ILE 44 HN ILE 44 0.137 5.698 -4.109 846 HA ILE 44 HA ILE 44 -0.541 6.662 -1.398 847 HB ILE 44 HB ILE 44 -1.741 7.700 -3.968 848 1HG1 ILE 44 HG12 ILE 44 0.496 8.864 -2.292 849 2HG1 ILE 44 HG11 ILE 44 0.626 8.260 -3.944 850 1HG2 ILE 44 HG21 ILE 44 -2.572 9.500 -2.551 851 2HG2 ILE 44 HG22 ILE 44 -1.807 8.762 -1.144 852 3HG2 ILE 44 HG23 ILE 44 -3.127 7.932 -1.969 853 1HD1 ILE 44 HD11 ILE 44 -0.986 10.650 -3.068 854 2HD1 ILE 44 HD12 ILE 44 -0.822 10.053 -4.721 855 3HD1 ILE 44 HD13 ILE 44 0.584 10.693 -3.870 856 H LEU 45 HN LEU 45 -1.960 5.313 -0.482 857 HA LEU 45 HA LEU 45 -3.625 3.636 -2.208 858 1HB LEU 45 HB2 LEU 45 -2.595 3.376 0.573 859 2HB LEU 45 HB1 LEU 45 -4.063 2.525 0.134 860 HG LEU 45 HG LEU 45 -2.849 1.357 -1.659 861 1HD1 LEU 45 HD11 LEU 45 -0.409 2.739 -0.556 862 2HD1 LEU 45 HD12 LEU 45 -1.148 3.042 -2.129 863 3HD1 LEU 45 HD13 LEU 45 -0.423 1.471 -1.781 864 1HD2 LEU 45 HD21 LEU 45 -1.579 1.154 1.064 865 2HD2 LEU 45 HD22 LEU 45 -1.486 -0.066 -0.206 866 3HD2 LEU 45 HD23 LEU 45 -3.042 0.328 0.524 867 H LYS 46 HN LYS 46 -5.770 3.532 -2.126 868 HA LYS 46 HA LYS 46 -7.327 4.979 -0.156 869 1HB LYS 46 HB2 LYS 46 -6.881 6.765 -1.744 870 2HB LYS 46 HB1 LYS 46 -7.322 5.728 -3.094 871 1HG LYS 46 HG2 LYS 46 -9.619 5.603 -1.835 872 2HG LYS 46 HG1 LYS 46 -9.056 7.111 -1.112 873 1HD LYS 46 HD2 LYS 46 -10.424 7.485 -3.136 874 2HD LYS 46 HD1 LYS 46 -8.780 8.103 -3.310 875 1HE LYS 46 HE2 LYS 46 -8.140 6.182 -4.609 876 2HE LYS 46 HE1 LYS 46 -9.695 5.415 -4.327 877 1HZ LYS 46 HZ1 LYS 46 -10.759 7.177 -5.591 878 2HZ LYS 46 HZ2 LYS 46 -9.575 6.396 -6.523 879 3HZ LYS 46 HZ3 LYS 46 -9.258 7.923 -5.853 880 H LYS 47 HN LYS 47 -9.362 4.061 0.053 881 HA LYS 47 HA LYS 47 -9.846 1.572 -1.285 882 1HB LYS 47 HB2 LYS 47 -10.615 2.466 1.100 883 2HB LYS 47 HB1 LYS 47 -12.020 3.000 0.192 884 1HG LYS 47 HG2 LYS 47 -11.292 0.218 -0.351 885 2HG LYS 47 HG1 LYS 47 -11.685 0.534 1.342 886 1HD LYS 47 HD2 LYS 47 -13.806 1.582 0.592 887 2HD LYS 47 HD1 LYS 47 -13.400 1.115 -1.064 888 1HE LYS 47 HE2 LYS 47 -13.577 -1.163 -0.592 889 2HE LYS 47 HE1 LYS 47 -13.471 -0.905 1.148 890 1HZ LYS 47 HZ1 LYS 47 -15.760 -0.045 -0.531 891 2HZ LYS 47 HZ2 LYS 47 -15.660 0.021 1.162 892 3HZ LYS 47 HZ3 LYS 47 -15.714 -1.477 0.367 893 H TYR 48 HN TYR 48 -11.759 1.139 -2.620 894 HA TYR 48 HA TYR 48 -11.806 3.089 -4.732 895 1HB TYR 48 HB2 TYR 48 -11.649 0.692 -5.221 896 2HB TYR 48 HB1 TYR 48 -13.208 0.429 -4.440 897 HD1 TYR 48 HD1 TYR 48 -15.263 0.921 -5.575 898 HD2 TYR 48 HD2 TYR 48 -11.534 1.839 -7.412 899 HE1 TYR 48 HE1 TYR 48 -16.412 1.298 -7.710 900 HE2 TYR 48 HE2 TYR 48 -12.681 2.220 -9.555 901 HH TYR 48 HH TYR 48 -14.818 1.489 -10.653 902 H LYS 49 HN LYS 49 -14.242 1.547 -2.710 903 HA LYS 49 HA LYS 49 -16.504 2.663 -3.805 904 1HB LYS 49 HB2 LYS 49 -16.276 0.785 -2.097 905 2HB LYS 49 HB1 LYS 49 -16.277 2.051 -0.874 906 1HG LYS 49 HG2 LYS 49 -18.456 2.787 -1.567 907 2HG LYS 49 HG1 LYS 49 -18.456 1.638 -2.905 908 1HD LYS 49 HD2 LYS 49 -18.327 -0.210 -1.267 909 2HD LYS 49 HD1 LYS 49 -18.439 0.975 0.037 910 1HE LYS 49 HE2 LYS 49 -20.499 0.515 -2.115 911 2HE LYS 49 HE1 LYS 49 -20.613 -0.040 -0.446 912 1HZ LYS 49 HZ1 LYS 49 -20.395 2.814 -1.238 913 2HZ LYS 49 HZ2 LYS 49 -20.693 2.207 0.317 914 3HZ LYS 49 HZ3 LYS 49 -21.857 2.027 -0.905 915 HA PRO 50 HA PRO 50 -16.242 6.448 -0.790 916 1HB PRO 50 HB2 PRO 50 -13.407 6.544 -0.023 917 2HB PRO 50 HB1 PRO 50 -14.845 6.713 0.987 918 1HG PRO 50 HG2 PRO 50 -13.266 4.540 1.108 919 2HG PRO 50 HG1 PRO 50 -15.021 4.446 1.350 920 1HD PRO 50 HD2 PRO 50 -13.403 3.779 -1.080 921 2HD PRO 50 HD1 PRO 50 -14.779 2.909 -0.372 922 H HIS 51 HN HIS 51 -16.161 8.242 -1.995 923 HA HIS 51 HA HIS 51 -14.246 8.290 -4.199 924 1HB HIS 51 HB2 HIS 51 -16.817 9.777 -3.694 925 2HB HIS 51 HB1 HIS 51 -15.723 10.214 -5.003 926 HD1 HIS 51 HD1 HIS 51 -16.165 9.089 -7.153 927 HD2 HIS 51 HD2 HIS 51 -17.641 6.906 -3.933 928 HE1 HIS 51 HE1 HIS 51 -17.364 7.118 -8.159 929 HE2 HIS 51 HE2 HIS 51 -18.071 5.708 -6.192 930 H GLY 52 HN GLY 52 -12.526 9.514 -4.194 931 1HA GLY 52 HA2 GLY 52 -12.532 12.092 -2.844 932 2HA GLY 52 HA1 GLY 52 -11.414 10.895 -2.198 933 H VAL 53 HN VAL 53 -9.429 11.318 -2.875 934 HA VAL 53 HA VAL 53 -8.940 12.729 -5.331 935 HB VAL 53 HB VAL 53 -7.567 13.128 -3.320 936 1HG1 VAL 53 HG11 VAL 53 -6.535 10.335 -3.790 937 2HG1 VAL 53 HG12 VAL 53 -7.496 10.883 -2.415 938 3HG1 VAL 53 HG13 VAL 53 -5.861 11.502 -2.651 939 1HG2 VAL 53 HG21 VAL 53 -6.062 12.068 -5.708 940 2HG2 VAL 53 HG22 VAL 53 -5.358 13.067 -4.434 941 3HG2 VAL 53 HG23 VAL 53 -6.638 13.717 -5.461 942 H CYS 54 HN CYS 54 -7.932 11.967 -7.163 943 HA CYS 54 HA CYS 54 -6.983 9.301 -7.437 944 1HB CYS 54 HB2 CYS 54 -8.675 8.671 -9.216 945 2HB CYS 54 HB1 CYS 54 -9.275 8.657 -7.561 946 HG CYS 54 HG CYS 54 -9.779 11.248 -9.729 Start of MODEL 10 1 1H MET 1 HT1 MET 1 -9.579 5.898 -11.297 2 2H MET 1 HT2 MET 1 -10.466 6.728 -12.473 3 3H MET 1 HT3 MET 1 -9.265 7.535 -11.601 4 HA MET 1 HA MET 1 -8.844 5.283 -13.459 5 1HB MET 1 HB2 MET 1 -7.468 7.301 -14.588 6 2HB MET 1 HB1 MET 1 -9.115 6.880 -15.018 7 1HG MET 1 HG2 MET 1 -8.898 9.261 -14.767 8 2HG MET 1 HG1 MET 1 -9.946 8.614 -13.508 9 1HE MET 1 HE1 MET 1 -8.594 11.522 -13.545 10 2HE MET 1 HE2 MET 1 -8.081 11.690 -11.866 11 3HE MET 1 HE3 MET 1 -9.658 10.999 -12.238 12 H LYS 2 HN LYS 2 -7.362 7.660 -11.287 13 HA LYS 2 HA LYS 2 -5.498 7.563 -10.013 14 1HB LYS 2 HB2 LYS 2 -5.921 4.675 -10.627 15 2HB LYS 2 HB1 LYS 2 -4.399 5.159 -9.899 16 1HG LYS 2 HG2 LYS 2 -7.154 5.561 -8.760 17 2HG LYS 2 HG1 LYS 2 -5.914 4.443 -8.190 18 1HD LYS 2 HD2 LYS 2 -4.468 6.581 -7.932 19 2HD LYS 2 HD1 LYS 2 -6.022 7.417 -7.993 20 1HE LYS 2 HE2 LYS 2 -6.813 6.109 -6.101 21 2HE LYS 2 HE1 LYS 2 -5.256 5.281 -6.020 22 1HZ LYS 2 HZ1 LYS 2 -5.667 7.301 -4.498 23 2HZ LYS 2 HZ2 LYS 2 -5.384 8.232 -5.892 24 3HZ LYS 2 HZ3 LYS 2 -4.186 7.189 -5.305 25 H SER 3 HN SER 3 -3.108 6.585 -10.094 26 HA SER 3 HA SER 3 -2.006 7.386 -12.654 27 1HB SER 3 HB2 SER 3 -1.072 8.222 -10.486 28 2HB SER 3 HB1 SER 3 -0.554 6.572 -10.128 29 HG SER 3 HG SER 3 0.382 8.383 -12.066 30 H ILE 4 HN ILE 4 -1.942 4.614 -10.454 31 HA ILE 4 HA ILE 4 -0.703 2.939 -12.476 32 HB ILE 4 HB ILE 4 -1.790 1.901 -9.874 33 1HG1 ILE 4 HG12 ILE 4 0.869 3.314 -10.211 34 2HG1 ILE 4 HG11 ILE 4 -0.520 3.972 -9.355 35 1HG2 ILE 4 HG21 ILE 4 -0.887 0.332 -11.533 36 2HG2 ILE 4 HG22 ILE 4 0.086 0.357 -10.063 37 3HG2 ILE 4 HG23 ILE 4 0.652 1.197 -11.506 38 1HD1 ILE 4 HD11 ILE 4 1.105 3.085 -7.803 39 2HD1 ILE 4 HD12 ILE 4 1.031 1.508 -8.591 40 3HD1 ILE 4 HD13 ILE 4 -0.381 2.138 -7.743 41 H GLY 5 HN GLY 5 -3.785 3.562 -10.978 42 1HA GLY 5 HA2 GLY 5 -5.900 3.184 -11.797 43 2HA GLY 5 HA1 GLY 5 -5.172 2.428 -13.206 44 H VAL 6 HN VAL 6 -4.295 1.278 -10.073 45 HA VAL 6 HA VAL 6 -5.934 -1.111 -10.576 46 HB VAL 6 HB VAL 6 -4.143 -2.444 -9.488 47 1HG1 VAL 6 HG11 VAL 6 -2.581 -2.397 -11.395 48 2HG1 VAL 6 HG12 VAL 6 -3.324 -0.891 -11.940 49 3HG1 VAL 6 HG13 VAL 6 -4.271 -2.378 -11.902 50 1HG2 VAL 6 HG21 VAL 6 -3.087 -0.649 -8.210 51 2HG2 VAL 6 HG22 VAL 6 -2.538 0.099 -9.710 52 3HG2 VAL 6 HG23 VAL 6 -1.916 -1.481 -9.234 53 H VAL 7 HN VAL 7 -7.195 -1.774 -9.081 54 HA VAL 7 HA VAL 7 -6.854 -0.826 -6.322 55 HB VAL 7 HB VAL 7 -9.004 -0.164 -7.356 56 1HG1 VAL 7 HG11 VAL 7 -9.292 -2.002 -8.919 57 2HG1 VAL 7 HG12 VAL 7 -10.705 -1.850 -7.875 58 3HG1 VAL 7 HG13 VAL 7 -9.522 -3.126 -7.580 59 1HG2 VAL 7 HG21 VAL 7 -10.482 -1.012 -5.578 60 2HG2 VAL 7 HG22 VAL 7 -8.907 -0.504 -4.958 61 3HG2 VAL 7 HG23 VAL 7 -9.258 -2.218 -5.164 62 H ARG 8 HN ARG 8 -6.836 -2.342 -4.685 63 HA ARG 8 HA ARG 8 -6.432 -5.100 -5.623 64 1HB ARG 8 HB2 ARG 8 -4.802 -3.379 -3.915 65 2HB ARG 8 HB1 ARG 8 -5.125 -4.960 -3.208 66 1HG ARG 8 HG2 ARG 8 -3.022 -4.791 -4.561 67 2HG ARG 8 HG1 ARG 8 -4.129 -6.081 -5.041 68 1HD ARG 8 HD2 ARG 8 -4.987 -4.701 -6.846 69 2HD ARG 8 HD1 ARG 8 -3.931 -3.381 -6.360 70 HE ARG 8 HE ARG 8 -2.131 -5.254 -6.837 71 1HH1 ARG 8 HH11 ARG 8 -4.989 -4.386 -8.654 72 2HH1 ARG 8 HH12 ARG 8 -4.336 -4.860 -10.188 73 1HH2 ARG 8 HH21 ARG 8 -1.242 -5.895 -8.860 74 2HH2 ARG 8 HH22 ARG 8 -2.187 -5.730 -10.304 75 H LYS 9 HN LYS 9 -6.981 -6.768 -4.203 76 HA LYS 9 HA LYS 9 -9.065 -6.010 -2.273 77 1HB LYS 9 HB2 LYS 9 -8.895 -8.191 -4.302 78 2HB LYS 9 HB1 LYS 9 -9.700 -8.555 -2.786 79 1HG LYS 9 HG2 LYS 9 -11.227 -7.855 -4.610 80 2HG LYS 9 HG1 LYS 9 -11.341 -6.869 -3.157 81 1HD LYS 9 HD2 LYS 9 -11.434 -5.499 -5.179 82 2HD LYS 9 HD1 LYS 9 -10.000 -5.118 -4.221 83 1HE LYS 9 HE2 LYS 9 -9.396 -5.201 -6.560 84 2HE LYS 9 HE1 LYS 9 -8.677 -6.582 -5.733 85 1HZ LYS 9 HZ1 LYS 9 -11.168 -6.667 -7.352 86 2HZ LYS 9 HZ2 LYS 9 -10.432 -7.992 -6.593 87 3HZ LYS 9 HZ3 LYS 9 -9.641 -7.195 -7.865 88 H VAL 10 HN VAL 10 -8.564 -6.423 -0.246 89 HA VAL 10 HA VAL 10 -6.127 -7.459 0.599 90 HB VAL 10 HB VAL 10 -8.741 -6.929 1.978 91 1HG1 VAL 10 HG11 VAL 10 -7.747 -7.495 4.136 92 2HG1 VAL 10 HG12 VAL 10 -6.319 -8.126 3.315 93 3HG1 VAL 10 HG13 VAL 10 -7.882 -8.916 3.100 94 1HG2 VAL 10 HG21 VAL 10 -7.291 -5.060 1.434 95 2HG2 VAL 10 HG22 VAL 10 -5.957 -5.824 2.295 96 3HG2 VAL 10 HG23 VAL 10 -7.383 -5.283 3.181 97 H ASP 11 HN ASP 11 -5.462 -9.440 1.312 98 HA ASP 11 HA ASP 11 -6.662 -11.720 0.167 99 1HB ASP 11 HB2 ASP 11 -4.205 -11.386 0.815 100 2HB ASP 11 HB1 ASP 11 -4.698 -11.767 2.461 101 H GLU 12 HN GLU 12 -5.930 -11.539 3.606 102 HA GLU 12 HA GLU 12 -8.742 -11.518 4.344 103 1HB GLU 12 HB2 GLU 12 -6.920 -13.689 5.427 104 2HB GLU 12 HB1 GLU 12 -8.628 -13.470 5.768 105 1HG GLU 12 HG2 GLU 12 -9.080 -13.945 3.345 106 2HG GLU 12 HG1 GLU 12 -7.373 -14.358 3.188 107 H LEU 13 HN LEU 13 -5.347 -11.562 5.202 108 HA LEU 13 HA LEU 13 -5.736 -10.396 7.824 109 1HB LEU 13 HB2 LEU 13 -3.156 -10.667 6.310 110 2HB LEU 13 HB1 LEU 13 -3.377 -10.563 8.046 111 HG LEU 13 HG LEU 13 -4.399 -12.893 6.451 112 1HD1 LEU 13 HD11 LEU 13 -1.962 -12.517 6.082 113 2HD1 LEU 13 HD12 LEU 13 -2.357 -14.046 6.882 114 3HD1 LEU 13 HD13 LEU 13 -1.729 -12.696 7.827 115 1HD2 LEU 13 HD21 LEU 13 -5.302 -12.596 8.704 116 2HD2 LEU 13 HD22 LEU 13 -3.665 -12.543 9.357 117 3HD2 LEU 13 HD23 LEU 13 -4.269 -14.023 8.612 118 H GLY 14 HN GLY 14 -5.371 -9.237 4.645 119 1HA GLY 14 HA2 GLY 14 -5.565 -6.758 4.413 120 2HA GLY 14 HA1 GLY 14 -4.296 -6.666 5.630 121 H ARG 15 HN ARG 15 -3.441 -9.266 4.015 122 HA ARG 15 HA ARG 15 -1.313 -8.032 2.625 123 1HB ARG 15 HB2 ARG 15 -2.330 -10.836 2.144 124 2HB ARG 15 HB1 ARG 15 -0.691 -10.237 1.949 125 1HG ARG 15 HG2 ARG 15 -0.571 -9.907 4.406 126 2HG ARG 15 HG1 ARG 15 -2.167 -10.655 4.544 127 1HD ARG 15 HD2 ARG 15 -0.459 -12.286 5.000 128 2HD ARG 15 HD1 ARG 15 -1.287 -12.687 3.496 129 HE ARG 15 HE ARG 15 1.332 -11.327 3.519 130 1HH1 ARG 15 HH11 ARG 15 -0.788 -13.899 2.428 131 2HH1 ARG 15 HH12 ARG 15 0.393 -14.575 1.345 132 1HH2 ARG 15 HH21 ARG 15 2.879 -12.216 2.108 133 2HH2 ARG 15 HH22 ARG 15 2.479 -13.615 1.161 134 H ILE 16 HN ILE 16 -1.295 -7.158 0.626 135 HA ILE 16 HA ILE 16 -3.251 -8.131 -1.348 136 HB ILE 16 HB ILE 16 -4.007 -6.071 -1.995 137 1HG1 ILE 16 HG12 ILE 16 -1.467 -4.877 -0.872 138 2HG1 ILE 16 HG11 ILE 16 -1.922 -5.057 -2.572 139 1HG2 ILE 16 HG21 ILE 16 -4.730 -6.410 0.304 140 2HG2 ILE 16 HG22 ILE 16 -4.545 -4.694 -0.058 141 3HG2 ILE 16 HG23 ILE 16 -3.313 -5.533 0.889 142 1HD1 ILE 16 HD11 ILE 16 -2.152 -2.750 -1.787 143 2HD1 ILE 16 HD12 ILE 16 -3.317 -3.282 -0.574 144 3HD1 ILE 16 HD13 ILE 16 -3.698 -3.433 -2.289 145 H VAL 17 HN VAL 17 -2.517 -7.089 -3.604 146 HA VAL 17 HA VAL 17 0.310 -7.847 -3.798 147 HB VAL 17 HB VAL 17 -1.027 -9.346 -5.068 148 1HG1 VAL 17 HG11 VAL 17 -2.531 -8.627 -6.879 149 2HG1 VAL 17 HG12 VAL 17 -2.284 -6.948 -6.397 150 3HG1 VAL 17 HG13 VAL 17 -3.068 -8.077 -5.292 151 1HG2 VAL 17 HG21 VAL 17 1.055 -8.710 -6.119 152 2HG2 VAL 17 HG22 VAL 17 0.267 -7.348 -6.919 153 3HG2 VAL 17 HG23 VAL 17 -0.177 -9.002 -7.347 154 H MET 18 HN MET 18 1.474 -6.013 -3.640 155 HA MET 18 HA MET 18 0.692 -3.558 -4.905 156 1HB MET 18 HB2 MET 18 3.189 -4.473 -3.501 157 2HB MET 18 HB1 MET 18 3.152 -2.946 -4.382 158 1HG MET 18 HG2 MET 18 1.249 -3.695 -2.178 159 2HG MET 18 HG1 MET 18 2.694 -2.702 -1.970 160 1HE MET 18 HE1 MET 18 0.475 -1.301 -0.846 161 2HE MET 18 HE2 MET 18 -0.720 -2.289 -1.689 162 3HE MET 18 HE3 MET 18 -0.738 -0.535 -1.871 163 HA PRO 19 HA PRO 19 2.167 -4.500 -8.845 164 1HB PRO 19 HB2 PRO 19 2.477 -2.075 -9.947 165 2HB PRO 19 HB1 PRO 19 0.891 -2.696 -9.471 166 1HG PRO 19 HG2 PRO 19 2.638 -0.708 -8.113 167 2HG PRO 19 HG1 PRO 19 0.871 -0.764 -8.219 168 1HD PRO 19 HD2 PRO 19 2.396 -1.608 -6.033 169 2HD PRO 19 HD1 PRO 19 0.702 -2.034 -6.343 170 H ILE 20 HN ILE 20 3.890 -4.688 -10.226 171 HA ILE 20 HA ILE 20 6.508 -4.483 -9.285 172 HB ILE 20 HB ILE 20 6.027 -5.873 -11.182 173 1HG1 ILE 20 HG12 ILE 20 7.711 -5.085 -12.846 174 2HG1 ILE 20 HG11 ILE 20 7.768 -3.542 -12.002 175 1HG2 ILE 20 HG21 ILE 20 5.107 -3.339 -12.518 176 2HG2 ILE 20 HG22 ILE 20 4.183 -4.808 -12.186 177 3HG2 ILE 20 HG23 ILE 20 5.457 -4.826 -13.405 178 1HD1 ILE 20 HD11 ILE 20 8.601 -4.659 -10.008 179 2HD1 ILE 20 HD12 ILE 20 9.638 -4.973 -11.401 180 3HD1 ILE 20 HD13 ILE 20 8.517 -6.213 -10.838 181 H GLU 21 HN GLU 21 4.422 -2.208 -10.873 182 HA GLU 21 HA GLU 21 6.190 -0.169 -11.564 183 1HB GLU 21 HB2 GLU 21 3.390 0.196 -10.486 184 2HB GLU 21 HB1 GLU 21 4.244 1.235 -11.623 185 1HG GLU 21 HG2 GLU 21 3.477 -1.618 -12.172 186 2HG GLU 21 HG1 GLU 21 2.518 -0.212 -12.654 187 H LEU 22 HN LEU 22 4.849 -1.077 -8.463 188 HA LEU 22 HA LEU 22 5.646 1.335 -7.118 189 1HB LEU 22 HB2 LEU 22 3.988 0.423 -5.866 190 2HB LEU 22 HB1 LEU 22 4.317 -1.198 -6.433 191 HG LEU 22 HG LEU 22 6.301 -0.098 -4.540 192 1HD1 LEU 22 HD11 LEU 22 4.238 0.755 -3.564 193 2HD1 LEU 22 HD12 LEU 22 4.884 -0.575 -2.604 194 3HD1 LEU 22 HD13 LEU 22 3.512 -0.847 -3.677 195 1HD2 LEU 22 HD21 LEU 22 6.426 -2.382 -5.415 196 2HD2 LEU 22 HD22 LEU 22 4.823 -2.719 -4.759 197 3HD2 LEU 22 HD23 LEU 22 6.167 -2.377 -3.669 198 H ARG 23 HN ARG 23 6.802 -1.945 -7.529 199 HA ARG 23 HA ARG 23 9.151 -1.689 -5.966 200 1HB ARG 23 HB2 ARG 23 8.707 -3.470 -8.379 201 2HB ARG 23 HB1 ARG 23 9.987 -3.651 -7.185 202 1HG ARG 23 HG2 ARG 23 8.130 -3.923 -5.466 203 2HG ARG 23 HG1 ARG 23 7.039 -4.111 -6.841 204 1HD ARG 23 HD2 ARG 23 9.519 -5.756 -6.749 205 2HD ARG 23 HD1 ARG 23 8.180 -6.196 -5.695 206 HE ARG 23 HE ARG 23 6.905 -6.061 -7.994 207 1HH1 ARG 23 HH11 ARG 23 10.085 -7.387 -7.375 208 2HH1 ARG 23 HH12 ARG 23 9.941 -8.646 -8.564 209 1HH2 ARG 23 HH21 ARG 23 6.699 -7.751 -9.540 210 2HH2 ARG 23 HH22 ARG 23 8.013 -8.861 -9.775 211 H ARG 24 HN ARG 24 8.331 -0.669 -9.148 212 HA ARG 24 HA ARG 24 11.059 -0.184 -9.992 213 1HB ARG 24 HB2 ARG 24 8.385 0.378 -11.286 214 2HB ARG 24 HB1 ARG 24 9.941 0.714 -12.044 215 1HG ARG 24 HG2 ARG 24 10.488 -1.613 -12.093 216 2HG ARG 24 HG1 ARG 24 9.064 -2.018 -11.128 217 1HD ARG 24 HD2 ARG 24 8.611 -2.527 -13.440 218 2HD ARG 24 HD1 ARG 24 7.642 -1.130 -12.968 219 HE ARG 24 HE ARG 24 10.205 -0.582 -14.236 220 1HH1 ARG 24 HH11 ARG 24 6.724 -0.884 -14.632 221 2HH1 ARG 24 HH12 ARG 24 6.696 0.053 -16.093 222 1HH2 ARG 24 HH21 ARG 24 10.150 0.632 -16.151 223 2HH2 ARG 24 HH22 ARG 24 8.638 0.930 -16.952 224 H ALA 25 HN ALA 25 8.264 1.596 -8.858 225 HA ALA 25 HA ALA 25 9.174 4.204 -9.451 226 1HB ALA 25 HB1 ALA 25 6.848 3.786 -8.932 227 2HB ALA 25 HB2 ALA 25 7.512 4.933 -7.767 228 3HB ALA 25 HB3 ALA 25 7.278 3.244 -7.310 229 H LEU 26 HN LEU 26 9.446 2.122 -6.661 230 HA LEU 26 HA LEU 26 11.147 4.027 -5.286 231 1HB LEU 26 HB2 LEU 26 10.046 1.331 -4.527 232 2HB LEU 26 HB1 LEU 26 11.067 2.304 -3.475 233 HG LEU 26 HG LEU 26 8.418 3.261 -4.554 234 1HD1 LEU 26 HD11 LEU 26 7.468 2.718 -2.381 235 2HD1 LEU 26 HD12 LEU 26 9.002 2.009 -1.873 236 3HD1 LEU 26 HD13 LEU 26 8.075 1.265 -3.177 237 1HD2 LEU 26 HD21 LEU 26 9.972 5.008 -3.853 238 2HD2 LEU 26 HD22 LEU 26 10.158 4.223 -2.284 239 3HD2 LEU 26 HD23 LEU 26 8.598 4.901 -2.753 240 H ASP 27 HN ASP 27 11.799 0.770 -4.694 241 HA ASP 27 HA ASP 27 13.708 0.155 -6.632 242 1HB ASP 27 HB2 ASP 27 15.679 0.247 -4.859 243 2HB ASP 27 HB1 ASP 27 15.348 1.602 -5.930 244 H ILE 28 HN ILE 28 11.703 -1.222 -5.677 245 HA ILE 28 HA ILE 28 12.722 -3.115 -3.696 246 HB ILE 28 HB ILE 28 10.025 -2.874 -5.042 247 1HG1 ILE 28 HG12 ILE 28 9.297 -2.717 -2.592 248 2HG1 ILE 28 HG11 ILE 28 11.000 -2.492 -2.207 249 1HG2 ILE 28 HG21 ILE 28 10.488 -5.211 -4.869 250 2HG2 ILE 28 HG22 ILE 28 9.320 -4.770 -3.623 251 3HG2 ILE 28 HG23 ILE 28 11.010 -5.035 -3.191 252 1HD1 ILE 28 HD11 ILE 28 11.044 -0.489 -3.594 253 2HD1 ILE 28 HD12 ILE 28 9.829 -0.375 -2.321 254 3HD1 ILE 28 HD13 ILE 28 9.339 -0.720 -3.980 255 H ALA 29 HN ALA 29 13.489 -5.077 -4.210 256 HA ALA 29 HA ALA 29 13.771 -5.625 -7.069 257 1HB ALA 29 HB1 ALA 29 15.154 -6.900 -4.716 258 2HB ALA 29 HB2 ALA 29 15.805 -5.593 -5.706 259 3HB ALA 29 HB3 ALA 29 15.527 -7.182 -6.418 260 H ILE 30 HN ILE 30 13.052 -7.375 -4.113 261 HA ILE 30 HA ILE 30 11.140 -9.049 -5.527 262 HB ILE 30 HB ILE 30 13.324 -10.179 -5.812 263 1HG1 ILE 30 HG12 ILE 30 11.001 -11.373 -5.342 264 2HG1 ILE 30 HG11 ILE 30 12.484 -12.294 -5.552 265 1HG2 ILE 30 HG21 ILE 30 14.515 -9.475 -3.882 266 2HG2 ILE 30 HG22 ILE 30 14.389 -11.234 -3.811 267 3HG2 ILE 30 HG23 ILE 30 13.340 -10.230 -2.805 268 1HD1 ILE 30 HD11 ILE 30 12.702 -12.508 -3.142 269 2HD1 ILE 30 HD12 ILE 30 11.145 -13.122 -3.696 270 3HD1 ILE 30 HD13 ILE 30 11.243 -11.543 -2.916 271 H LYS 31 HN LYS 31 12.638 -7.923 -2.612 272 HA LYS 31 HA LYS 31 10.108 -8.264 -1.205 273 1HB LYS 31 HB2 LYS 31 12.786 -8.842 0.087 274 2HB LYS 31 HB1 LYS 31 11.195 -9.039 0.814 275 1HG LYS 31 HG2 LYS 31 10.761 -10.738 -1.053 276 2HG LYS 31 HG1 LYS 31 12.503 -10.693 -1.318 277 1HD LYS 31 HD2 LYS 31 12.081 -12.528 0.118 278 2HD LYS 31 HD1 LYS 31 12.771 -11.256 1.127 279 1HE LYS 31 HE2 LYS 31 10.849 -12.393 2.178 280 2HE LYS 31 HE1 LYS 31 10.583 -10.664 1.954 281 1HZ LYS 31 HZ1 LYS 31 8.625 -11.857 1.339 282 2HZ LYS 31 HZ2 LYS 31 9.491 -12.872 0.294 283 3HZ LYS 31 HZ3 LYS 31 9.317 -11.228 -0.074 284 H ASP 32 HN ASP 32 13.370 -6.923 -1.071 285 HA ASP 32 HA ASP 32 14.202 -5.089 -0.020 286 1HB ASP 32 HB2 ASP 32 12.380 -4.358 -2.196 287 2HB ASP 32 HB1 ASP 32 12.895 -3.016 -1.150 288 H SER 33 HN SER 33 11.580 -2.921 -0.119 289 HA SER 33 HA SER 33 10.516 -3.434 2.504 290 1HB SER 33 HB2 SER 33 12.464 -1.108 2.245 291 2HB SER 33 HB1 SER 33 11.491 -1.504 3.660 292 HG SER 33 HG SER 33 12.862 -3.672 2.990 293 H ILE 34 HN ILE 34 8.611 -2.324 2.737 294 HA ILE 34 HA ILE 34 8.269 0.239 1.339 295 HB ILE 34 HB ILE 34 6.043 -1.809 1.412 296 1HG1 ILE 34 HG12 ILE 34 6.474 -1.718 -1.184 297 2HG1 ILE 34 HG11 ILE 34 8.113 -1.298 -0.697 298 1HG2 ILE 34 HG21 ILE 34 5.014 -0.283 -0.233 299 2HG2 ILE 34 HG22 ILE 34 6.377 0.817 -0.025 300 3HG2 ILE 34 HG23 ILE 34 5.301 0.477 1.332 301 1HD1 ILE 34 HD11 ILE 34 6.620 -3.790 0.089 302 2HD1 ILE 34 HD12 ILE 34 8.262 -3.373 0.580 303 3HD1 ILE 34 HD13 ILE 34 7.901 -3.677 -1.118 304 H GLU 35 HN GLU 35 7.919 1.674 2.918 305 HA GLU 35 HA GLU 35 6.546 0.790 5.373 306 1HB GLU 35 HB2 GLU 35 8.769 1.479 5.839 307 2HB GLU 35 HB1 GLU 35 8.626 2.903 4.821 308 1HG GLU 35 HG2 GLU 35 6.886 3.696 6.498 309 2HG GLU 35 HG1 GLU 35 7.492 2.405 7.544 310 H PHE 36 HN PHE 36 4.677 1.794 6.008 311 HA PHE 36 HA PHE 36 3.695 3.860 4.158 312 1HB PHE 36 HB2 PHE 36 1.401 2.663 5.114 313 2HB PHE 36 HB1 PHE 36 2.136 2.376 3.541 314 HD1 PHE 36 HD1 PHE 36 3.810 0.464 3.356 315 HD2 PHE 36 HD2 PHE 36 1.148 0.957 6.635 316 HE1 PHE 36 HE1 PHE 36 4.048 -1.920 3.906 317 HE2 PHE 36 HE2 PHE 36 1.389 -1.422 7.191 318 HZ PHE 36 HZ PHE 36 2.837 -2.863 5.829 319 H PHE 37 HN PHE 37 2.171 5.331 4.818 320 HA PHE 37 HA PHE 37 1.990 5.938 7.712 321 1HB PHE 37 HB2 PHE 37 3.689 7.392 6.682 322 2HB PHE 37 HB1 PHE 37 2.574 7.816 5.394 323 HD1 PHE 37 HD1 PHE 37 0.546 9.205 5.957 324 HD2 PHE 37 HD2 PHE 37 3.751 8.597 8.685 325 HE1 PHE 37 HE1 PHE 37 -0.170 11.183 7.228 326 HE2 PHE 37 HE2 PHE 37 3.039 10.572 9.968 327 HZ PHE 37 HZ PHE 37 1.075 11.871 9.237 328 H VAL 38 HN VAL 38 -0.113 6.393 8.329 329 HA VAL 38 HA VAL 38 -2.032 6.585 6.126 330 HB VAL 38 HB VAL 38 -2.627 4.801 7.541 331 1HG1 VAL 38 HG11 VAL 38 -1.367 5.396 9.538 332 2HG1 VAL 38 HG12 VAL 38 -3.043 5.026 9.949 333 3HG1 VAL 38 HG13 VAL 38 -2.501 6.704 9.878 334 1HG2 VAL 38 HG21 VAL 38 -4.437 6.355 6.753 335 2HG2 VAL 38 HG22 VAL 38 -4.438 7.060 8.370 336 3HG2 VAL 38 HG23 VAL 38 -4.862 5.362 8.150 337 H ASP 39 HN ASP 39 -3.265 8.243 5.786 338 HA ASP 39 HA ASP 39 -3.022 10.578 7.559 339 1HB ASP 39 HB2 ASP 39 -1.559 10.974 5.673 340 2HB ASP 39 HB1 ASP 39 -2.822 10.508 4.541 341 H GLY 40 HN GLY 40 -4.992 10.598 8.433 342 1HA GLY 40 HA2 GLY 40 -7.269 10.844 8.599 343 2HA GLY 40 HA1 GLY 40 -7.298 11.195 6.875 344 H ASP 41 HN ASP 41 -7.369 9.447 5.394 345 HA ASP 41 HA ASP 41 -8.326 6.902 6.551 346 1HB ASP 41 HB2 ASP 41 -9.302 8.003 3.919 347 2HB ASP 41 HB1 ASP 41 -10.018 6.731 4.901 348 H LYS 42 HN LYS 42 -6.113 8.492 4.609 349 HA LYS 42 HA LYS 42 -5.935 6.440 2.548 350 1HB LYS 42 HB2 LYS 42 -5.981 8.579 1.618 351 2HB LYS 42 HB1 LYS 42 -4.958 9.255 2.876 352 1HG LYS 42 HG2 LYS 42 -3.098 7.819 1.912 353 2HG LYS 42 HG1 LYS 42 -4.162 7.580 0.527 354 1HD LYS 42 HD2 LYS 42 -2.605 9.456 0.171 355 2HD LYS 42 HD1 LYS 42 -4.292 9.979 0.160 356 1HE LYS 42 HE2 LYS 42 -3.472 10.139 2.827 357 2HE LYS 42 HE1 LYS 42 -2.129 10.791 1.887 358 1HZ LYS 42 HZ1 LYS 42 -3.765 12.486 2.534 359 2HZ LYS 42 HZ2 LYS 42 -4.957 11.676 1.638 360 3HZ LYS 42 HZ3 LYS 42 -3.619 12.349 0.849 361 H ILE 43 HN ILE 43 -3.830 5.610 1.918 362 HA ILE 43 HA ILE 43 -1.950 5.498 4.179 363 HB ILE 43 HB ILE 43 -2.445 3.312 2.143 364 1HG1 ILE 43 HG12 ILE 43 -4.279 3.771 3.918 365 2HG1 ILE 43 HG11 ILE 43 -3.696 2.121 3.728 366 1HG2 ILE 43 HG21 ILE 43 -0.807 3.250 4.670 367 2HG2 ILE 43 HG22 ILE 43 -0.147 3.459 3.049 368 3HG2 ILE 43 HG23 ILE 43 -0.972 1.959 3.480 369 1HD1 ILE 43 HD11 ILE 43 -2.298 2.363 5.697 370 2HD1 ILE 43 HD12 ILE 43 -3.980 2.744 6.076 371 3HD1 ILE 43 HD13 ILE 43 -2.806 4.045 5.868 372 H ILE 44 HN ILE 44 0.216 5.726 3.710 373 HA ILE 44 HA ILE 44 0.870 6.594 0.961 374 HB ILE 44 HB ILE 44 1.964 7.745 3.536 375 1HG1 ILE 44 HG12 ILE 44 0.036 9.076 1.625 376 2HG1 ILE 44 HG11 ILE 44 -0.500 8.191 3.050 377 1HG2 ILE 44 HG21 ILE 44 2.247 8.641 0.666 378 2HG2 ILE 44 HG22 ILE 44 3.507 7.898 1.652 379 3HG2 ILE 44 HG23 ILE 44 2.881 9.493 2.074 380 1HD1 ILE 44 HD11 ILE 44 0.744 9.715 4.474 381 2HD1 ILE 44 HD12 ILE 44 -0.414 10.579 3.463 382 3HD1 ILE 44 HD13 ILE 44 1.301 10.599 3.052 383 H LEU 45 HN LEU 45 2.287 5.188 0.096 384 HA LEU 45 HA LEU 45 4.049 3.685 1.911 385 1HB LEU 45 HB2 LEU 45 2.882 3.100 -0.780 386 2HB LEU 45 HB1 LEU 45 4.352 2.291 -0.285 387 HG LEU 45 HG LEU 45 3.148 1.385 1.693 388 1HD1 LEU 45 HD11 LEU 45 0.712 2.550 0.363 389 2HD1 LEU 45 HD12 LEU 45 1.416 3.087 1.890 390 3HD1 LEU 45 HD13 LEU 45 0.723 1.468 1.759 391 1HD2 LEU 45 HD21 LEU 45 1.931 0.772 -0.993 392 2HD2 LEU 45 HD22 LEU 45 1.835 -0.256 0.437 393 3HD2 LEU 45 HD23 LEU 45 3.396 0.058 -0.321 394 H LYS 46 HN LYS 46 6.221 3.801 1.795 395 HA LYS 46 HA LYS 46 7.501 4.437 -0.701 396 1HB LYS 46 HB2 LYS 46 8.820 6.305 0.054 397 2HB LYS 46 HB1 LYS 46 7.122 6.688 0.259 398 1HG LYS 46 HG2 LYS 46 8.017 7.512 2.199 399 2HG LYS 46 HG1 LYS 46 7.529 5.896 2.714 400 1HD LYS 46 HD2 LYS 46 9.748 5.085 2.586 401 2HD LYS 46 HD1 LYS 46 10.296 6.507 1.701 402 1HE LYS 46 HE2 LYS 46 9.943 7.884 3.671 403 2HE LYS 46 HE1 LYS 46 9.336 6.491 4.564 404 1HZ LYS 46 HZ1 LYS 46 11.447 5.504 4.575 405 2HZ LYS 46 HZ2 LYS 46 11.753 7.135 4.921 406 3HZ LYS 46 HZ3 LYS 46 12.050 6.527 3.369 407 H LYS 47 HN LYS 47 9.681 3.840 -0.765 408 HA LYS 47 HA LYS 47 10.266 1.499 0.714 409 1HB LYS 47 HB2 LYS 47 11.035 2.380 -1.667 410 2HB LYS 47 HB1 LYS 47 12.397 3.003 -0.756 411 1HG LYS 47 HG2 LYS 47 11.574 0.106 -0.741 412 2HG LYS 47 HG1 LYS 47 12.757 0.783 -1.864 413 1HD LYS 47 HD2 LYS 47 14.105 1.508 0.098 414 2HD LYS 47 HD1 LYS 47 12.961 0.670 1.148 415 1HE LYS 47 HE2 LYS 47 14.834 -0.776 0.771 416 2HE LYS 47 HE1 LYS 47 13.447 -1.425 -0.103 417 1HZ LYS 47 HZ1 LYS 47 14.463 -0.007 -2.040 418 2HZ LYS 47 HZ2 LYS 47 15.051 -1.565 -1.695 419 3HZ LYS 47 HZ3 LYS 47 15.891 -0.203 -1.151 420 H TYR 48 HN TYR 48 11.974 1.118 2.221 421 HA TYR 48 HA TYR 48 11.980 2.966 4.329 422 1HB TYR 48 HB2 TYR 48 12.331 0.423 4.362 423 2HB TYR 48 HB1 TYR 48 14.013 0.775 3.971 424 HD1 TYR 48 HD1 TYR 48 11.360 1.544 6.465 425 HD2 TYR 48 HD2 TYR 48 15.531 1.208 5.695 426 HE1 TYR 48 HE1 TYR 48 11.819 1.838 8.861 427 HE2 TYR 48 HE2 TYR 48 16.000 1.503 8.091 428 HH TYR 48 HH TYR 48 14.939 2.459 10.074 429 H LYS 49 HN LYS 49 14.606 2.002 2.156 430 HA LYS 49 HA LYS 49 16.616 3.647 3.088 431 1HB LYS 49 HB2 LYS 49 16.841 1.790 1.433 432 2HB LYS 49 HB1 LYS 49 16.179 2.862 0.208 433 1HG LYS 49 HG2 LYS 49 18.083 4.435 0.721 434 2HG LYS 49 HG1 LYS 49 18.793 3.122 1.664 435 1HD LYS 49 HD2 LYS 49 18.120 3.074 -1.277 436 2HD LYS 49 HD1 LYS 49 19.734 3.134 -0.567 437 1HE LYS 49 HE2 LYS 49 19.370 0.937 0.444 438 2HE LYS 49 HE1 LYS 49 17.750 0.884 -0.252 439 1HZ LYS 49 HZ1 LYS 49 20.308 0.955 -1.758 440 2HZ LYS 49 HZ2 LYS 49 18.764 1.000 -2.464 441 3HZ LYS 49 HZ3 LYS 49 19.264 -0.374 -1.603 442 HA PRO 50 HA PRO 50 15.459 7.041 -0.301 443 1HB PRO 50 HB2 PRO 50 12.554 6.400 -0.510 444 2HB PRO 50 HB1 PRO 50 13.662 7.021 -1.741 445 1HG PRO 50 HG2 PRO 50 12.915 4.478 -1.784 446 2HG PRO 50 HG1 PRO 50 14.592 4.933 -2.142 447 1HD PRO 50 HD2 PRO 50 13.444 3.740 0.345 448 2HD PRO 50 HD1 PRO 50 15.001 3.424 -0.444 449 H HIS 51 HN HIS 51 15.429 8.848 0.835 450 HA HIS 51 HA HIS 51 13.771 9.049 3.188 451 1HB HIS 51 HB2 HIS 51 14.957 11.147 3.652 452 2HB HIS 51 HB1 HIS 51 16.075 9.827 3.356 453 HD1 HIS 51 HD1 HIS 51 17.266 9.871 0.922 454 HD2 HIS 51 HD2 HIS 51 15.349 13.364 2.122 455 HE1 HIS 51 HE1 HIS 51 18.173 11.692 -0.559 456 HE2 HIS 51 HE2 HIS 51 17.131 13.820 0.299 457 H GLY 52 HN GLY 52 11.726 9.150 2.453 458 1HA GLY 52 HA2 GLY 52 10.970 11.539 0.909 459 2HA GLY 52 HA1 GLY 52 9.964 10.108 1.124 460 H VAL 53 HN VAL 53 8.314 10.431 2.456 461 HA VAL 53 HA VAL 53 8.716 12.256 4.727 462 HB VAL 53 HB VAL 53 6.968 13.003 3.144 463 1HG1 VAL 53 HG11 VAL 53 6.205 10.868 2.302 464 2HG1 VAL 53 HG12 VAL 53 4.849 11.762 2.992 465 3HG1 VAL 53 HG13 VAL 53 5.581 10.434 3.895 466 1HG2 VAL 53 HG21 VAL 53 6.782 13.649 5.466 467 2HG2 VAL 53 HG22 VAL 53 5.947 12.142 5.846 468 3HG2 VAL 53 HG23 VAL 53 5.178 13.339 4.802 469 H CYS 54 HN CYS 54 8.070 11.599 6.764 470 HA CYS 54 HA CYS 54 7.075 8.885 7.105 471 1HB CYS 54 HB2 CYS 54 9.659 9.904 8.295 472 2HB CYS 54 HB1 CYS 54 8.818 8.472 8.878 473 HG CYS 54 HG CYS 54 9.762 6.816 7.165 474 1H MET 1 HT1 MET 1 9.849 6.937 10.792 475 2H MET 1 HT2 MET 1 10.576 7.663 12.143 476 3H MET 1 HT3 MET 1 9.210 8.368 11.441 477 HA MET 1 HA MET 1 9.309 5.723 12.755 478 1HB MET 1 HB2 MET 1 7.866 6.829 14.494 479 2HB MET 1 HB1 MET 1 9.536 7.370 14.457 480 1HG MET 1 HG2 MET 1 8.363 9.333 14.736 481 2HG MET 1 HG1 MET 1 8.643 9.298 12.997 482 1HE MET 1 HE1 MET 1 6.781 10.995 12.371 483 2HE MET 1 HE2 MET 1 6.526 11.268 14.094 484 3HE MET 1 HE3 MET 1 5.148 10.958 13.036 485 H LYS 2 HN LYS 2 7.426 8.111 10.970 486 HA LYS 2 HA LYS 2 5.576 7.930 9.687 487 1HB LYS 2 HB2 LYS 2 6.119 4.994 10.032 488 2HB LYS 2 HB1 LYS 2 4.762 5.603 9.092 489 1HG LYS 2 HG2 LYS 2 7.625 6.343 8.564 490 2HG LYS 2 HG1 LYS 2 6.791 5.006 7.774 491 1HD LYS 2 HD2 LYS 2 5.169 7.352 7.598 492 2HD LYS 2 HD1 LYS 2 6.804 7.729 7.041 493 1HE LYS 2 HE2 LYS 2 5.280 5.321 6.095 494 2HE LYS 2 HE1 LYS 2 5.181 6.887 5.292 495 1HZ LYS 2 HZ1 LYS 2 6.839 5.324 4.337 496 2HZ LYS 2 HZ2 LYS 2 7.737 5.450 5.774 497 3HZ LYS 2 HZ3 LYS 2 7.479 6.820 4.807 498 H SER 3 HN SER 3 3.304 7.236 9.653 499 HA SER 3 HA SER 3 2.118 7.692 12.188 500 1HB SER 3 HB2 SER 3 1.098 8.511 10.119 501 2HB SER 3 HB1 SER 3 0.862 6.851 9.564 502 HG SER 3 HG SER 3 -0.272 7.949 11.934 503 H ILE 4 HN ILE 4 2.280 4.877 10.049 504 HA ILE 4 HA ILE 4 1.017 3.205 12.068 505 HB ILE 4 HB ILE 4 2.189 2.224 9.466 506 1HG1 ILE 4 HG12 ILE 4 -0.618 3.289 9.848 507 2HG1 ILE 4 HG11 ILE 4 0.674 4.192 9.064 508 1HG2 ILE 4 HG21 ILE 4 1.495 0.537 11.077 509 2HG2 ILE 4 HG22 ILE 4 0.412 0.533 9.684 510 3HG2 ILE 4 HG23 ILE 4 -0.099 1.284 11.196 511 1HD1 ILE 4 HD11 ILE 4 -0.861 3.111 7.477 512 2HD1 ILE 4 HD12 ILE 4 -0.384 1.538 8.119 513 3HD1 ILE 4 HD13 ILE 4 0.805 2.557 7.301 514 H GLY 5 HN GLY 5 4.092 3.651 10.421 515 1HA GLY 5 HA2 GLY 5 6.240 3.268 11.126 516 2HA GLY 5 HA1 GLY 5 5.589 2.872 12.716 517 H VAL 6 HN VAL 6 4.807 1.334 9.661 518 HA VAL 6 HA VAL 6 6.404 -0.991 10.448 519 HB VAL 6 HB VAL 6 4.622 -2.466 9.443 520 1HG1 VAL 6 HG11 VAL 6 3.119 -2.376 11.425 521 2HG1 VAL 6 HG12 VAL 6 3.946 -0.894 11.921 522 3HG1 VAL 6 HG13 VAL 6 4.840 -2.412 11.823 523 1HG2 VAL 6 HG21 VAL 6 3.430 -0.742 8.198 524 2HG2 VAL 6 HG22 VAL 6 2.927 0.006 9.716 525 3HG2 VAL 6 HG23 VAL 6 2.356 -1.609 9.295 526 H VAL 7 HN VAL 7 7.683 -1.717 8.887 527 HA VAL 7 HA VAL 7 7.170 -0.814 6.134 528 HB VAL 7 HB VAL 7 9.360 -0.138 7.124 529 1HG1 VAL 7 HG11 VAL 7 9.925 -3.097 7.135 530 2HG1 VAL 7 HG12 VAL 7 9.808 -2.038 8.542 531 3HG1 VAL 7 HG13 VAL 7 11.124 -1.826 7.386 532 1HG2 VAL 7 HG21 VAL 7 10.751 -0.960 5.205 533 2HG2 VAL 7 HG22 VAL 7 9.211 -0.222 4.764 534 3HG2 VAL 7 HG23 VAL 7 9.379 -1.978 4.745 535 H ARG 8 HN ARG 8 7.147 -2.327 4.479 536 HA ARG 8 HA ARG 8 6.805 -5.092 5.431 537 1HB ARG 8 HB2 ARG 8 5.127 -3.409 3.715 538 2HB ARG 8 HB1 ARG 8 5.448 -5.003 3.042 539 1HG ARG 8 HG2 ARG 8 3.369 -4.835 4.427 540 2HG ARG 8 HG1 ARG 8 4.509 -6.090 4.934 541 1HD ARG 8 HD2 ARG 8 5.418 -4.533 6.621 542 2HD ARG 8 HD1 ARG 8 4.189 -3.360 6.167 543 HE ARG 8 HE ARG 8 2.606 -5.304 6.859 544 1HH1 ARG 8 HH11 ARG 8 5.655 -4.433 8.337 545 2HH1 ARG 8 HH12 ARG 8 5.186 -4.929 9.937 546 1HH2 ARG 8 HH21 ARG 8 1.967 -5.972 8.976 547 2HH2 ARG 8 HH22 ARG 8 3.098 -5.819 10.294 548 H LYS 9 HN LYS 9 7.414 -6.770 4.063 549 HA LYS 9 HA LYS 9 9.384 -5.988 2.025 550 1HB LYS 9 HB2 LYS 9 9.368 -8.107 4.099 551 2HB LYS 9 HB1 LYS 9 10.006 -8.570 2.528 552 1HG LYS 9 HG2 LYS 9 11.740 -7.810 4.111 553 2HG LYS 9 HG1 LYS 9 11.679 -6.864 2.628 554 1HD LYS 9 HD2 LYS 9 11.886 -5.205 4.183 555 2HD LYS 9 HD1 LYS 9 10.132 -5.283 4.053 556 1HE LYS 9 HE2 LYS 9 11.925 -6.375 6.221 557 2HE LYS 9 HE1 LYS 9 10.658 -5.163 6.368 558 1HZ LYS 9 HZ1 LYS 9 10.274 -8.067 5.850 559 2HZ LYS 9 HZ2 LYS 9 9.024 -6.922 5.893 560 3HZ LYS 9 HZ3 LYS 9 9.928 -7.241 7.289 561 H VAL 10 HN VAL 10 8.808 -6.381 0.034 562 HA VAL 10 HA VAL 10 6.405 -7.499 -0.761 563 HB VAL 10 HB VAL 10 8.974 -6.895 -2.203 564 1HG1 VAL 10 HG11 VAL 10 7.937 -7.541 -4.331 565 2HG1 VAL 10 HG12 VAL 10 6.583 -8.244 -3.447 566 3HG1 VAL 10 HG13 VAL 10 8.198 -8.930 -3.276 567 1HG2 VAL 10 HG21 VAL 10 7.477 -5.066 -1.689 568 2HG2 VAL 10 HG22 VAL 10 6.142 -5.906 -2.477 569 3HG2 VAL 10 HG23 VAL 10 7.518 -5.350 -3.429 570 H ASP 11 HN ASP 11 5.724 -9.471 -1.247 571 HA ASP 11 HA ASP 11 6.914 -11.792 -0.304 572 1HB ASP 11 HB2 ASP 11 4.572 -11.789 -0.750 573 2HB ASP 11 HB1 ASP 11 4.816 -11.313 -2.423 574 H GLU 12 HN GLU 12 6.263 -11.639 -3.734 575 HA GLU 12 HA GLU 12 9.072 -11.616 -4.458 576 1HB GLU 12 HB2 GLU 12 7.231 -13.893 -5.264 577 2HB GLU 12 HB1 GLU 12 8.855 -13.636 -5.885 578 1HG GLU 12 HG2 GLU 12 9.782 -14.008 -3.679 579 2HG GLU 12 HG1 GLU 12 8.157 -14.186 -3.012 580 H LEU 13 HN LEU 13 5.711 -11.636 -5.219 581 HA LEU 13 HA LEU 13 5.992 -10.642 -7.923 582 1HB LEU 13 HB2 LEU 13 3.519 -10.816 -6.219 583 2HB LEU 13 HB1 LEU 13 3.602 -10.773 -7.969 584 HG LEU 13 HG LEU 13 4.653 -13.059 -6.311 585 1HD1 LEU 13 HD11 LEU 13 2.002 -12.862 -7.731 586 2HD1 LEU 13 HD12 LEU 13 2.219 -12.669 -5.989 587 3HD1 LEU 13 HD13 LEU 13 2.597 -14.214 -6.765 588 1HD2 LEU 13 HD21 LEU 13 5.606 -12.884 -8.551 589 2HD2 LEU 13 HD22 LEU 13 3.988 -12.806 -9.245 590 3HD2 LEU 13 HD23 LEU 13 4.529 -14.275 -8.434 591 H GLY 14 HN GLY 14 5.471 -9.421 -4.738 592 1HA GLY 14 HA2 GLY 14 5.855 -6.924 -4.571 593 2HA GLY 14 HA1 GLY 14 4.581 -6.817 -5.794 594 H ARG 15 HN ARG 15 3.600 -9.358 -4.205 595 HA ARG 15 HA ARG 15 1.552 -8.097 -2.762 596 1HB ARG 15 HB2 ARG 15 2.627 -10.910 -2.423 597 2HB ARG 15 HB1 ARG 15 1.060 -10.333 -1.865 598 1HG ARG 15 HG2 ARG 15 0.536 -9.829 -4.290 599 2HG ARG 15 HG1 ARG 15 1.990 -10.747 -4.697 600 1HD ARG 15 HD2 ARG 15 0.185 -12.245 -4.876 601 2HD ARG 15 HD1 ARG 15 1.021 -12.655 -3.382 602 HE ARG 15 HE ARG 15 -1.417 -10.994 -3.363 603 1HH1 ARG 15 HH11 ARG 15 0.383 -13.802 -2.284 604 2HH1 ARG 15 HH12 ARG 15 -0.882 -14.368 -1.226 605 1HH2 ARG 15 HH21 ARG 15 -3.089 -11.734 -1.997 606 2HH2 ARG 15 HH22 ARG 15 -2.875 -13.185 -1.063 607 H ILE 16 HN ILE 16 1.583 -7.146 -0.821 608 HA ILE 16 HA ILE 16 3.551 -8.067 1.173 609 HB ILE 16 HB ILE 16 4.262 -5.979 1.768 610 1HG1 ILE 16 HG12 ILE 16 1.622 -4.918 0.752 611 2HG1 ILE 16 HG11 ILE 16 2.211 -4.989 2.418 612 1HG2 ILE 16 HG21 ILE 16 3.505 -5.522 -1.112 613 2HG2 ILE 16 HG22 ILE 16 4.978 -6.293 -0.523 614 3HG2 ILE 16 HG23 ILE 16 4.689 -4.584 -0.200 615 1HD1 ILE 16 HD11 ILE 16 2.279 -2.717 1.607 616 2HD1 ILE 16 HD12 ILE 16 3.253 -3.205 0.219 617 3HD1 ILE 16 HD13 ILE 16 3.923 -3.312 1.850 618 H VAL 17 HN VAL 17 2.795 -7.039 3.408 619 HA VAL 17 HA VAL 17 -0.044 -7.747 3.590 620 HB VAL 17 HB VAL 17 1.231 -9.278 4.885 621 1HG1 VAL 17 HG11 VAL 17 3.302 -8.067 5.117 622 2HG1 VAL 17 HG12 VAL 17 2.735 -8.588 6.704 623 3HG1 VAL 17 HG13 VAL 17 2.537 -6.908 6.204 624 1HG2 VAL 17 HG21 VAL 17 -0.809 -8.670 5.945 625 2HG2 VAL 17 HG22 VAL 17 -0.089 -7.210 6.632 626 3HG2 VAL 17 HG23 VAL 17 0.422 -8.803 7.202 627 H MET 18 HN MET 18 -1.190 -5.927 3.447 628 HA MET 18 HA MET 18 -0.369 -3.474 4.712 629 1HB MET 18 HB2 MET 18 -3.033 -4.267 3.511 630 2HB MET 18 HB1 MET 18 -2.634 -2.657 4.093 631 1HG MET 18 HG2 MET 18 -0.808 -3.801 2.081 632 2HG MET 18 HG1 MET 18 -2.431 -3.412 1.530 633 1HE MET 18 HE1 MET 18 -0.073 -1.568 4.194 634 2HE MET 18 HE2 MET 18 0.651 -0.376 3.110 635 3HE MET 18 HE3 MET 18 0.952 -2.098 2.860 636 HA PRO 19 HA PRO 19 -1.992 -4.445 8.594 637 1HB PRO 19 HB2 PRO 19 -2.195 -1.978 9.702 638 2HB PRO 19 HB1 PRO 19 -0.650 -2.775 9.372 639 1HG PRO 19 HG2 PRO 19 -1.914 -0.506 8.012 640 2HG PRO 19 HG1 PRO 19 -0.222 -1.028 8.007 641 1HD PRO 19 HD2 PRO 19 -2.217 -1.453 5.984 642 2HD PRO 19 HD1 PRO 19 -0.515 -1.956 5.974 643 H ILE 20 HN ILE 20 -3.774 -4.608 9.904 644 HA ILE 20 HA ILE 20 -6.343 -4.200 8.977 645 HB ILE 20 HB ILE 20 -6.024 -5.632 10.843 646 1HG1 ILE 20 HG12 ILE 20 -7.596 -4.706 12.547 647 2HG1 ILE 20 HG11 ILE 20 -7.494 -3.146 11.731 648 1HG2 ILE 20 HG21 ILE 20 -4.883 -3.239 12.262 649 2HG2 ILE 20 HG22 ILE 20 -4.045 -4.724 11.806 650 3HG2 ILE 20 HG23 ILE 20 -5.285 -4.761 13.060 651 1HD1 ILE 20 HD11 ILE 20 -8.466 -4.073 9.750 652 2HD1 ILE 20 HD12 ILE 20 -9.507 -4.399 11.138 653 3HD1 ILE 20 HD13 ILE 20 -8.494 -5.682 10.472 654 H GLU 21 HN GLU 21 -4.164 -1.989 10.559 655 HA GLU 21 HA GLU 21 -5.961 0.053 11.229 656 1HB GLU 21 HB2 GLU 21 -3.087 0.383 10.356 657 2HB GLU 21 HB1 GLU 21 -4.013 1.475 11.380 658 1HG GLU 21 HG2 GLU 21 -3.214 -1.347 12.059 659 2HG GLU 21 HG1 GLU 21 -2.473 0.125 12.694 660 H LEU 22 HN LEU 22 -4.605 -0.902 8.168 661 HA LEU 22 HA LEU 22 -5.417 1.486 6.777 662 1HB LEU 22 HB2 LEU 22 -3.766 0.525 5.533 663 2HB LEU 22 HB1 LEU 22 -4.150 -1.094 6.080 664 HG LEU 22 HG LEU 22 -6.111 0.127 4.222 665 1HD1 LEU 22 HD11 LEU 22 -3.993 0.889 3.260 666 2HD1 LEU 22 HD12 LEU 22 -4.748 -0.351 2.258 667 3HD1 LEU 22 HD13 LEU 22 -3.383 -0.764 3.296 668 1HD2 LEU 22 HD21 LEU 22 -6.246 -2.199 5.117 669 2HD2 LEU 22 HD22 LEU 22 -4.753 -2.566 4.250 670 3HD2 LEU 22 HD23 LEU 22 -6.201 -2.112 3.353 671 H ARG 23 HN ARG 23 -6.561 -1.786 7.282 672 HA ARG 23 HA ARG 23 -8.930 -1.586 5.750 673 1HB ARG 23 HB2 ARG 23 -8.428 -3.278 8.211 674 2HB ARG 23 HB1 ARG 23 -9.729 -3.514 7.052 675 1HG ARG 23 HG2 ARG 23 -8.003 -3.905 5.300 676 2HG ARG 23 HG1 ARG 23 -6.780 -3.846 6.568 677 1HD ARG 23 HD2 ARG 23 -9.099 -5.684 6.919 678 2HD ARG 23 HD1 ARG 23 -7.857 -6.129 5.750 679 HE ARG 23 HE ARG 23 -6.333 -5.674 7.847 680 1HH1 ARG 23 HH11 ARG 23 -9.476 -7.196 7.830 681 2HH1 ARG 23 HH12 ARG 23 -9.058 -8.382 9.027 682 1HH2 ARG 23 HH21 ARG 23 -5.780 -7.211 9.476 683 2HH2 ARG 23 HH22 ARG 23 -6.971 -8.377 9.981 684 H ARG 24 HN ARG 24 -8.111 -0.496 8.902 685 HA ARG 24 HA ARG 24 -10.829 0.047 9.739 686 1HB ARG 24 HB2 ARG 24 -8.137 0.656 10.982 687 2HB ARG 24 HB1 ARG 24 -9.682 1.049 11.736 688 1HG ARG 24 HG2 ARG 24 -10.241 -1.236 11.975 689 2HG ARG 24 HG1 ARG 24 -8.908 -1.739 10.933 690 1HD ARG 24 HD2 ARG 24 -8.157 -2.179 13.101 691 2HD ARG 24 HD1 ARG 24 -7.376 -0.664 12.659 692 HE ARG 24 HE ARG 24 -9.727 0.007 13.970 693 1HH1 ARG 24 HH11 ARG 24 -6.667 -1.550 14.632 694 2HH1 ARG 24 HH12 ARG 24 -6.759 -1.311 16.353 695 1HH2 ARG 24 HH21 ARG 24 -9.826 0.396 16.234 696 2HH2 ARG 24 HH22 ARG 24 -8.555 -0.193 17.267 697 H ALA 25 HN ALA 25 -8.047 1.701 8.486 698 HA ALA 25 HA ALA 25 -8.772 4.375 8.849 699 1HB ALA 25 HB1 ALA 25 -7.229 3.044 6.612 700 2HB ALA 25 HB2 ALA 25 -6.554 3.713 8.110 701 3HB ALA 25 HB3 ALA 25 -7.277 4.787 6.911 702 H LEU 26 HN LEU 26 -9.292 2.169 6.168 703 HA LEU 26 HA LEU 26 -10.943 4.118 4.805 704 1HB LEU 26 HB2 LEU 26 -9.924 1.409 3.994 705 2HB LEU 26 HB1 LEU 26 -10.875 2.459 2.957 706 HG LEU 26 HG LEU 26 -8.218 3.278 4.114 707 1HD1 LEU 26 HD11 LEU 26 -8.778 2.055 1.412 708 2HD1 LEU 26 HD12 LEU 26 -7.903 1.284 2.735 709 3HD1 LEU 26 HD13 LEU 26 -7.235 2.717 1.954 710 1HD2 LEU 26 HD21 LEU 26 -9.714 5.079 3.362 711 2HD2 LEU 26 HD22 LEU 26 -9.820 4.315 1.774 712 3HD2 LEU 26 HD23 LEU 26 -8.278 4.949 2.347 713 H ASP 27 HN ASP 27 -11.407 0.673 4.665 714 HA ASP 27 HA ASP 27 -13.806 0.327 5.989 715 1HB ASP 27 HB2 ASP 27 -14.710 2.126 4.588 716 2HB ASP 27 HB1 ASP 27 -14.153 1.310 3.135 717 H ILE 28 HN ILE 28 -11.719 -1.275 5.660 718 HA ILE 28 HA ILE 28 -12.439 -3.162 3.508 719 HB ILE 28 HB ILE 28 -9.772 -2.840 4.918 720 1HG1 ILE 28 HG12 ILE 28 -8.904 -2.327 2.672 721 2HG1 ILE 28 HG11 ILE 28 -10.531 -2.494 1.994 722 1HG2 ILE 28 HG21 ILE 28 -10.266 -5.197 4.535 723 2HG2 ILE 28 HG22 ILE 28 -8.969 -4.648 3.474 724 3HG2 ILE 28 HG23 ILE 28 -10.599 -4.863 2.836 725 1HD1 ILE 28 HD11 ILE 28 -11.230 -0.611 3.412 726 2HD1 ILE 28 HD12 ILE 28 -9.992 -0.189 2.217 727 3HD1 ILE 28 HD13 ILE 28 -9.547 -0.407 3.915 728 H ALA 29 HN ALA 29 -13.020 -5.176 4.038 729 HA ALA 29 HA ALA 29 -13.269 -5.664 6.916 730 1HB ALA 29 HB1 ALA 29 -15.265 -5.401 5.304 731 2HB ALA 29 HB2 ALA 29 -15.305 -6.667 6.536 732 3HB ALA 29 HB3 ALA 29 -14.907 -7.076 4.864 733 H ILE 30 HN ILE 30 -12.758 -7.414 3.890 734 HA ILE 30 HA ILE 30 -10.845 -9.140 5.249 735 HB ILE 30 HB ILE 30 -13.069 -10.248 5.465 736 1HG1 ILE 30 HG12 ILE 30 -10.766 -11.463 5.136 737 2HG1 ILE 30 HG11 ILE 30 -12.261 -12.385 5.153 738 1HG2 ILE 30 HG21 ILE 30 -14.175 -9.521 3.496 739 2HG2 ILE 30 HG22 ILE 30 -14.050 -11.280 3.412 740 3HG2 ILE 30 HG23 ILE 30 -12.956 -10.268 2.463 741 1HD1 ILE 30 HD11 ILE 30 -10.776 -13.151 3.402 742 2HD1 ILE 30 HD12 ILE 30 -10.734 -11.531 2.706 743 3HD1 ILE 30 HD13 ILE 30 -12.240 -12.449 2.711 744 H LYS 31 HN LYS 31 -12.341 -7.930 2.356 745 HA LYS 31 HA LYS 31 -9.783 -8.209 0.976 746 1HB LYS 31 HB2 LYS 31 -12.413 -8.778 -0.408 747 2HB LYS 31 HB1 LYS 31 -10.793 -8.976 -1.063 748 1HG LYS 31 HG2 LYS 31 -10.454 -10.701 0.798 749 2HG LYS 31 HG1 LYS 31 -12.205 -10.652 0.984 750 1HD LYS 31 HD2 LYS 31 -11.797 -12.453 -0.459 751 2HD LYS 31 HD1 LYS 31 -12.316 -11.138 -1.516 752 1HE LYS 31 HE2 LYS 31 -10.385 -12.361 -2.415 753 2HE LYS 31 HE1 LYS 31 -10.014 -10.664 -2.110 754 1HZ LYS 31 HZ1 LYS 31 -8.251 -12.198 -1.382 755 2HZ LYS 31 HZ2 LYS 31 -9.330 -12.906 -0.284 756 3HZ LYS 31 HZ3 LYS 31 -8.882 -11.280 -0.103 757 H ASP 32 HN ASP 32 -13.048 -6.872 0.893 758 HA ASP 32 HA ASP 32 -13.895 -5.083 -0.247 759 1HB ASP 32 HB2 ASP 32 -12.227 -4.317 2.013 760 2HB ASP 32 HB1 ASP 32 -12.549 -2.970 0.901 761 H SER 33 HN SER 33 -11.296 -2.895 -0.081 762 HA SER 33 HA SER 33 -10.291 -3.352 -2.742 763 1HB SER 33 HB2 SER 33 -12.189 -1.014 -2.335 764 2HB SER 33 HB1 SER 33 -11.297 -1.398 -3.808 765 HG SER 33 HG SER 33 -12.629 -3.570 -3.190 766 H ILE 34 HN ILE 34 -8.361 -2.303 -2.982 767 HA ILE 34 HA ILE 34 -7.959 0.267 -1.621 768 HB ILE 34 HB ILE 34 -5.815 -1.870 -1.598 769 1HG1 ILE 34 HG12 ILE 34 -6.202 -1.591 0.988 770 2HG1 ILE 34 HG11 ILE 34 -7.818 -1.097 0.495 771 1HG2 ILE 34 HG21 ILE 34 -4.643 -0.316 -0.121 772 2HG2 ILE 34 HG22 ILE 34 -5.967 0.837 -0.287 773 3HG2 ILE 34 HG23 ILE 34 -4.988 0.410 -1.690 774 1HD1 ILE 34 HD11 ILE 34 -7.772 -3.444 1.059 775 2HD1 ILE 34 HD12 ILE 34 -6.494 -3.726 -0.126 776 3HD1 ILE 34 HD13 ILE 34 -8.101 -3.234 -0.662 777 H GLU 35 HN GLU 35 -7.735 1.574 -3.354 778 HA GLU 35 HA GLU 35 -6.256 0.571 -5.691 779 1HB GLU 35 HB2 GLU 35 -8.585 1.342 -6.050 780 2HB GLU 35 HB1 GLU 35 -8.130 2.935 -5.464 781 1HG GLU 35 HG2 GLU 35 -6.633 3.235 -7.321 782 2HG GLU 35 HG1 GLU 35 -6.948 1.595 -7.885 783 H PHE 36 HN PHE 36 -4.395 1.596 -6.417 784 HA PHE 36 HA PHE 36 -3.502 3.766 -4.627 785 1HB PHE 36 HB2 PHE 36 -1.178 2.563 -5.657 786 2HB PHE 36 HB1 PHE 36 -1.754 2.577 -4.000 787 HD1 PHE 36 HD1 PHE 36 -3.344 0.714 -3.293 788 HD2 PHE 36 HD2 PHE 36 -0.995 0.589 -6.836 789 HE1 PHE 36 HE1 PHE 36 -3.537 -1.734 -3.331 790 HE2 PHE 36 HE2 PHE 36 -1.188 -1.862 -6.880 791 HZ PHE 36 HZ PHE 36 -2.461 -3.023 -5.126 792 H PHE 37 HN PHE 37 -1.893 5.153 -5.295 793 HA PHE 37 HA PHE 37 -1.786 5.829 -8.181 794 1HB PHE 37 HB2 PHE 37 -3.326 7.342 -6.964 795 2HB PHE 37 HB1 PHE 37 -2.086 7.653 -5.763 796 HD1 PHE 37 HD1 PHE 37 -0.275 9.184 -6.217 797 HD2 PHE 37 HD2 PHE 37 -3.237 8.361 -9.159 798 HE1 PHE 37 HE1 PHE 37 0.435 11.170 -7.483 799 HE2 PHE 37 HE2 PHE 37 -2.525 10.339 -10.433 800 HZ PHE 37 HZ PHE 37 -0.689 11.750 -9.594 801 H VAL 38 HN VAL 38 0.257 6.779 -8.779 802 HA VAL 38 HA VAL 38 2.306 6.461 -6.687 803 HB VAL 38 HB VAL 38 2.544 4.797 -8.490 804 1HG1 VAL 38 HG11 VAL 38 1.678 6.063 -10.369 805 2HG1 VAL 38 HG12 VAL 38 3.304 5.475 -10.716 806 3HG1 VAL 38 HG13 VAL 38 3.051 7.165 -10.280 807 1HG2 VAL 38 HG21 VAL 38 4.684 6.860 -8.096 808 2HG2 VAL 38 HG22 VAL 38 4.968 5.397 -9.044 809 3HG2 VAL 38 HG23 VAL 38 4.524 5.273 -7.341 810 H ASP 39 HN ASP 39 3.741 8.077 -6.389 811 HA ASP 39 HA ASP 39 3.486 10.463 -8.082 812 1HB ASP 39 HB2 ASP 39 2.037 10.856 -6.151 813 2HB ASP 39 HB1 ASP 39 3.361 10.463 -5.058 814 H GLY 40 HN GLY 40 5.459 10.195 -8.983 815 1HA GLY 40 HA2 GLY 40 7.715 10.608 -9.152 816 2HA GLY 40 HA1 GLY 40 7.718 11.075 -7.456 817 H ASP 41 HN ASP 41 7.560 9.303 -5.895 818 HA ASP 41 HA ASP 41 8.827 6.807 -6.838 819 1HB ASP 41 HB2 ASP 41 9.317 8.012 -4.117 820 2HB ASP 41 HB1 ASP 41 10.222 6.734 -4.917 821 H LYS 42 HN LYS 42 6.484 8.434 -4.899 822 HA LYS 42 HA LYS 42 6.251 6.244 -3.010 823 1HB LYS 42 HB2 LYS 42 5.653 7.814 -1.525 824 2HB LYS 42 HB1 LYS 42 6.163 8.983 -2.737 825 1HG LYS 42 HG2 LYS 42 3.829 8.981 -3.614 826 2HG LYS 42 HG1 LYS 42 3.381 7.962 -2.241 827 1HD LYS 42 HD2 LYS 42 2.848 10.079 -1.472 828 2HD LYS 42 HD1 LYS 42 4.474 9.853 -0.829 829 1HE LYS 42 HE2 LYS 42 3.899 11.249 -3.433 830 2HE LYS 42 HE1 LYS 42 4.022 12.096 -1.894 831 1HZ LYS 42 HZ1 LYS 42 6.301 11.327 -1.701 832 2HZ LYS 42 HZ2 LYS 42 6.085 12.170 -3.153 833 3HZ LYS 42 HZ3 LYS 42 6.173 10.482 -3.162 834 H ILE 43 HN ILE 43 4.013 5.702 -2.277 835 HA ILE 43 HA ILE 43 2.229 5.468 -4.605 836 HB ILE 43 HB ILE 43 2.635 3.400 -2.428 837 1HG1 ILE 43 HG12 ILE 43 4.577 3.601 -3.998 838 2HG1 ILE 43 HG11 ILE 43 3.781 2.033 -4.049 839 1HG2 ILE 43 HG21 ILE 43 1.071 3.206 -4.997 840 2HG2 ILE 43 HG22 ILE 43 0.371 3.477 -3.403 841 3HG2 ILE 43 HG23 ILE 43 1.212 1.965 -3.751 842 1HD1 ILE 43 HD11 ILE 43 4.243 2.604 -6.280 843 2HD1 ILE 43 HD12 ILE 43 3.646 4.251 -6.064 844 3HD1 ILE 43 HD13 ILE 43 2.516 2.896 -6.061 845 H ILE 44 HN ILE 44 0.022 5.656 -4.169 846 HA ILE 44 HA ILE 44 -0.662 6.727 -1.504 847 HB ILE 44 HB ILE 44 -1.691 7.727 -4.167 848 1HG1 ILE 44 HG12 ILE 44 0.361 8.916 -2.281 849 2HG1 ILE 44 HG11 ILE 44 0.660 8.304 -3.908 850 1HG2 ILE 44 HG21 ILE 44 -2.611 9.580 -2.819 851 2HG2 ILE 44 HG22 ILE 44 -2.088 8.743 -1.356 852 3HG2 ILE 44 HG23 ILE 44 -3.309 8.016 -2.401 853 1HD1 ILE 44 HD11 ILE 44 -0.701 10.090 -4.840 854 2HD1 ILE 44 HD12 ILE 44 0.604 10.738 -3.846 855 3HD1 ILE 44 HD13 ILE 44 -1.042 10.691 -3.218 856 H LEU 45 HN LEU 45 -2.057 5.347 -0.581 857 HA LEU 45 HA LEU 45 -3.795 3.725 -2.311 858 1HB LEU 45 HB2 LEU 45 -2.692 3.351 0.445 859 2HB LEU 45 HB1 LEU 45 -4.107 2.457 -0.068 860 HG LEU 45 HG LEU 45 -2.779 1.525 -1.954 861 1HD1 LEU 45 HD11 LEU 45 -0.470 2.831 -0.525 862 2HD1 LEU 45 HD12 LEU 45 -1.082 3.266 -2.120 863 3HD1 LEU 45 HD13 LEU 45 -0.346 1.684 -1.859 864 1HD2 LEU 45 HD21 LEU 45 -1.691 1.051 0.811 865 2HD2 LEU 45 HD22 LEU 45 -1.521 -0.034 -0.569 866 3HD2 LEU 45 HD23 LEU 45 -3.117 0.288 0.109 867 H LYS 46 HN LYS 46 -5.936 3.887 -2.294 868 HA LYS 46 HA LYS 46 -7.306 4.757 0.119 869 1HB LYS 46 HB2 LYS 46 -8.740 6.350 -1.169 870 2HB LYS 46 HB1 LYS 46 -7.066 6.864 -1.033 871 1HG LYS 46 HG2 LYS 46 -7.452 7.321 -3.235 872 2HG LYS 46 HG1 LYS 46 -6.848 5.668 -3.369 873 1HD LYS 46 HD2 LYS 46 -9.316 4.974 -3.189 874 2HD LYS 46 HD1 LYS 46 -9.675 6.660 -3.555 875 1HE LYS 46 HE2 LYS 46 -8.362 6.469 -5.630 876 2HE LYS 46 HE1 LYS 46 -8.041 4.780 -5.250 877 1HZ LYS 46 HZ1 LYS 46 -10.720 5.965 -5.778 878 2HZ LYS 46 HZ2 LYS 46 -10.436 4.362 -5.319 879 3HZ LYS 46 HZ3 LYS 46 -9.846 4.924 -6.804 880 H LYS 47 HN LYS 47 -9.447 3.975 0.246 881 HA LYS 47 HA LYS 47 -9.930 1.537 -1.114 882 1HB LYS 47 HB2 LYS 47 -10.873 2.535 1.175 883 2HB LYS 47 HB1 LYS 47 -12.207 3.005 0.132 884 1HG LYS 47 HG2 LYS 47 -11.593 0.281 -0.422 885 2HG LYS 47 HG1 LYS 47 -11.682 0.488 1.329 886 1HD LYS 47 HD2 LYS 47 -13.888 1.572 1.047 887 2HD LYS 47 HD1 LYS 47 -13.788 1.235 -0.689 888 1HE LYS 47 HE2 LYS 47 -13.748 -1.121 -0.298 889 2HE LYS 47 HE1 LYS 47 -13.581 -0.887 1.439 890 1HZ LYS 47 HZ1 LYS 47 -15.815 -1.519 0.863 891 2HZ LYS 47 HZ2 LYS 47 -15.969 -0.200 -0.190 892 3HZ LYS 47 HZ3 LYS 47 -15.814 0.060 1.484 893 H TYR 48 HN TYR 48 -12.164 1.202 -2.308 894 HA TYR 48 HA TYR 48 -11.790 2.834 -4.659 895 1HB TYR 48 HB2 TYR 48 -12.180 0.322 -4.675 896 2HB TYR 48 HB1 TYR 48 -13.860 0.676 -4.247 897 HD1 TYR 48 HD1 TYR 48 -11.320 0.832 -6.878 898 HD2 TYR 48 HD2 TYR 48 -15.366 1.688 -5.882 899 HE1 TYR 48 HE1 TYR 48 -11.833 1.144 -9.261 900 HE2 TYR 48 HE2 TYR 48 -15.891 1.999 -8.264 901 HH TYR 48 HH TYR 48 -14.580 2.644 -10.365 902 H LYS 49 HN LYS 49 -14.463 2.073 -2.488 903 HA LYS 49 HA LYS 49 -16.369 3.757 -3.603 904 1HB LYS 49 HB2 LYS 49 -16.832 1.954 -1.962 905 2HB LYS 49 HB1 LYS 49 -16.151 2.967 -0.698 906 1HG LYS 49 HG2 LYS 49 -17.879 4.636 -1.058 907 2HG LYS 49 HG1 LYS 49 -18.556 3.674 -2.370 908 1HD LYS 49 HD2 LYS 49 -18.334 2.741 0.491 909 2HD LYS 49 HD1 LYS 49 -19.783 3.456 -0.216 910 1HE LYS 49 HE2 LYS 49 -19.721 1.627 -1.938 911 2HE LYS 49 HE1 LYS 49 -18.440 0.874 -0.991 912 1HZ LYS 49 HZ1 LYS 49 -21.244 1.371 -0.162 913 2HZ LYS 49 HZ2 LYS 49 -20.026 0.902 0.922 914 3HZ LYS 49 HZ3 LYS 49 -20.470 -0.128 -0.350 915 HA PRO 50 HA PRO 50 -15.257 7.156 -0.219 916 1HB PRO 50 HB2 PRO 50 -12.388 6.456 0.171 917 2HB PRO 50 HB1 PRO 50 -13.561 7.090 1.330 918 1HG PRO 50 HG2 PRO 50 -12.848 4.539 1.415 919 2HG PRO 50 HG1 PRO 50 -14.540 5.009 1.676 920 1HD PRO 50 HD2 PRO 50 -13.249 3.831 -0.754 921 2HD PRO 50 HD1 PRO 50 -14.843 3.493 -0.048 922 H HIS 51 HN HIS 51 -15.070 8.980 -1.323 923 HA HIS 51 HA HIS 51 -13.370 9.018 -3.678 924 1HB HIS 51 HB2 HIS 51 -14.554 11.088 -4.295 925 2HB HIS 51 HB1 HIS 51 -15.663 9.761 -3.996 926 HD1 HIS 51 HD1 HIS 51 -16.999 9.889 -1.659 927 HD2 HIS 51 HD2 HIS 51 -15.039 13.359 -2.862 928 HE1 HIS 51 HE1 HIS 51 -17.987 11.746 -0.278 929 HE2 HIS 51 HE2 HIS 51 -16.747 13.829 -0.976 930 H GLY 52 HN GLY 52 -11.394 9.066 -2.560 931 1HA GLY 52 HA2 GLY 52 -10.750 11.490 -1.074 932 2HA GLY 52 HA1 GLY 52 -9.687 10.111 -1.332 933 H VAL 53 HN VAL 53 -8.513 9.953 -3.234 934 HA VAL 53 HA VAL 53 -8.770 12.044 -5.225 935 HB VAL 53 HB VAL 53 -7.152 12.968 -3.589 936 1HG1 VAL 53 HG11 VAL 53 -5.473 10.568 -4.308 937 2HG1 VAL 53 HG12 VAL 53 -6.202 10.905 -2.737 938 3HG1 VAL 53 HG13 VAL 53 -4.930 11.955 -3.363 939 1HG2 VAL 53 HG21 VAL 53 -6.096 12.233 -6.312 940 2HG2 VAL 53 HG22 VAL 53 -5.321 13.406 -5.243 941 3HG2 VAL 53 HG23 VAL 53 -6.953 13.702 -5.842 942 H CYS 54 HN CYS 54 -8.091 11.392 -7.240 943 HA CYS 54 HA CYS 54 -7.460 8.583 -7.526 944 1HB CYS 54 HB2 CYS 54 -7.892 10.758 -9.580 945 2HB CYS 54 HB1 CYS 54 -7.557 9.072 -9.975 946 HG CYS 54 HG CYS 54 -10.347 10.311 -8.418
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