NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
2130 | 1bfm | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 1198 H/Q atoms Start of MODEL 1 1 1H MET 1 HNC MET 1 4.510 8.364 -12.266 2 2H MET 1 HN MET 1 3.900 7.378 -13.416 3 3H MET 1 HNB MET 1 3.782 8.998 -13.583 4 HA MET 1 HA MET 1 2.303 9.223 -11.821 5 1HB MET 1 HBS MET 1 1.778 7.623 -14.163 6 2HB MET 1 HBR MET 1 0.759 7.075 -12.802 7 1HG MET 1 HGS MET 1 0.075 9.470 -12.429 8 2HG MET 1 HGR MET 1 1.001 9.908 -13.885 9 1HE MET 1 HME MET 1 -1.949 10.630 -13.769 10 2HE MET 1 HME MET 1 -1.066 10.780 -15.309 11 3HE MET 1 HME MET 1 -2.666 9.996 -15.271 12 H GLU 2 HN GLU 2 0.785 7.952 -10.365 13 HA GLU 2 HA GLU 2 1.935 5.525 -9.138 14 1HB GLU 2 HBR GLU 2 2.404 6.751 -7.077 15 2HB GLU 2 HBS GLU 2 3.389 7.121 -8.384 16 1HG GLU 2 HGS GLU 2 1.227 8.950 -8.513 17 2HG GLU 2 HGR GLU 2 1.884 9.045 -6.857 18 H LEU 3 HN LEU 3 0.786 5.490 -6.781 19 HA LEU 3 HA LEU 3 -1.582 4.725 -7.035 20 1HB LEU 3 HBS LEU 3 -0.104 5.849 -4.771 21 2HB LEU 3 HBR LEU 3 -1.851 5.543 -4.496 22 HG LEU 3 HG LEU 3 -1.386 3.276 -5.567 23 1HD1 LEU 3 HMD LEU 3 1.299 4.447 -5.329 24 2HD1 LEU 3 HMD LEU 3 1.162 2.731 -4.867 25 3HD1 LEU 3 HMD LEU 3 0.628 3.265 -6.481 26 1HD2 LEU 3 HMD LEU 3 -1.377 4.130 -2.907 27 2HD2 LEU 3 HMD LEU 3 -1.441 2.436 -3.446 28 3HD2 LEU 3 HMD LEU 3 0.122 3.178 -3.029 29 HA PRO 4 HA PRO 4 -4.195 8.280 -8.048 30 1HB PRO 4 HBR PRO 4 -6.185 6.692 -8.876 31 2HB PRO 4 HBS PRO 4 -5.067 7.380 -9.862 32 1HG PRO 4 HGS PRO 4 -5.292 4.716 -9.111 33 2HG PRO 4 HGR PRO 4 -4.419 5.364 -10.375 34 1HD PRO 4 HDS PRO 4 -3.410 4.475 -8.013 35 2HD PRO 4 HDR PRO 4 -2.576 5.270 -9.198 36 H ILE 5 HN ILE 5 -5.717 9.349 -6.979 37 HA ILE 5 HA ILE 5 -5.994 8.322 -4.290 38 HB ILE 5 HB ILE 5 -6.953 10.599 -3.834 39 1HG1 ILE 5 HG1 ILE 5 -6.241 11.596 -6.547 40 2HG1 ILE 5 HG1 ILE 5 -7.703 10.574 -6.446 41 1HG2 ILE 5 HMG ILE 5 -4.308 9.948 -4.530 42 2HG2 ILE 5 HMG ILE 5 -4.641 11.541 -5.260 43 3HG2 ILE 5 HMG ILE 5 -4.880 11.295 -3.509 44 1HD1 ILE 5 HMD ILE 5 -8.571 12.100 -4.673 45 2HD1 ILE 5 HMD ILE 5 -7.164 13.159 -4.958 46 3HD1 ILE 5 HMD ILE 5 -8.349 12.882 -6.262 47 H ALA 6 HN ALA 6 -7.942 8.372 -7.109 48 HA ALA 6 HA ALA 6 -10.510 8.390 -5.877 49 1HB ALA 6 HMB ALA 6 -9.394 8.109 -8.521 50 2HB ALA 6 HMB ALA 6 -10.659 6.884 -8.253 51 3HB ALA 6 HMB ALA 6 -11.029 8.613 -8.027 52 HA PRO 7 HA PRO 7 -10.002 3.519 -6.228 53 1HB PRO 7 HBS PRO 7 -7.209 3.228 -6.219 54 2HB PRO 7 HBR PRO 7 -8.305 2.443 -7.155 55 1HG PRO 7 HGR PRO 7 -6.653 4.380 -7.981 56 2HG PRO 7 HGS PRO 7 -7.984 3.819 -8.815 57 1HD PRO 7 HDS PRO 7 -7.680 6.264 -7.543 58 2HD PRO 7 HDR PRO 7 -8.928 5.769 -8.508 59 H ILE 8 HN ILE 8 -7.317 5.056 -4.630 60 HA ILE 8 HA ILE 8 -7.477 3.639 -2.243 61 HB ILE 8 HB ILE 8 -6.611 6.534 -2.710 62 1HG1 ILE 8 HG1 ILE 8 -5.057 3.918 -2.736 63 2HG1 ILE 8 HG1 ILE 8 -5.472 4.932 -4.148 64 1HG2 ILE 8 HMG ILE 8 -6.038 4.694 -0.379 65 2HG2 ILE 8 HMG ILE 8 -5.188 6.229 -0.699 66 3HG2 ILE 8 HMG ILE 8 -6.937 6.234 -0.353 67 1HD1 ILE 8 HMD ILE 8 -4.033 6.433 -2.105 68 2HD1 ILE 8 HMD ILE 8 -3.118 5.011 -2.673 69 3HD1 ILE 8 HMD ILE 8 -3.687 6.232 -3.843 70 H GLY 9 HN GLY 9 -9.035 6.753 -3.064 71 1HA GLY 9 HAS GLY 9 -10.249 7.248 -0.639 72 2HA GLY 9 HAR GLY 9 -10.894 7.813 -2.203 73 H ARG 10 HN ARG 10 -11.171 4.952 -3.108 74 HA ARG 10 HA ARG 10 -13.774 4.429 -1.922 75 1HB ARG 10 HBS ARG 10 -13.248 4.246 -4.378 76 2HB ARG 10 HBR ARG 10 -12.296 2.783 -3.994 77 1HG ARG 10 HGS ARG 10 -14.827 2.430 -2.784 78 2HG ARG 10 HGR ARG 10 -15.135 3.070 -4.423 79 1HD ARG 10 HDS ARG 10 -14.377 1.226 -5.431 80 2HD ARG 10 HDR ARG 10 -13.064 0.989 -4.242 81 HE ARG 10 HE ARG 10 -14.500 -0.313 -2.934 82 1HH1 ARG 10 HH1 ARG 10 -16.390 1.337 -5.410 83 2HH1 ARG 10 HH1 ARG 10 -17.731 0.251 -5.266 84 1HH2 ARG 10 HH2 ARG 10 -16.219 -1.789 -2.864 85 2HH2 ARG 10 HH2 ARG 10 -17.637 -1.517 -3.823 86 H ILE 11 HN ILE 11 -10.531 3.102 -1.760 87 HA ILE 11 HA ILE 11 -11.147 0.732 -0.238 88 HB ILE 11 HB ILE 11 -8.653 2.493 -0.398 89 1HG1 ILE 11 HG1 ILE 11 -9.493 -0.083 -1.769 90 2HG1 ILE 11 HG1 ILE 11 -9.158 1.507 -2.513 91 1HG2 ILE 11 HMG ILE 11 -9.235 0.579 1.567 92 2HG2 ILE 11 HMG ILE 11 -8.114 -0.213 0.429 93 3HG2 ILE 11 HMG ILE 11 -7.659 1.330 1.198 94 1HD1 ILE 11 HMD ILE 11 -7.051 -0.118 -1.073 95 2HD1 ILE 11 HMD ILE 11 -7.379 -0.265 -2.820 96 3HD1 ILE 11 HMD ILE 11 -6.823 1.289 -2.144 97 H ILE 12 HN ILE 12 -10.187 4.070 0.634 98 HA ILE 12 HA ILE 12 -10.319 3.625 3.482 99 HB ILE 12 HB ILE 12 -10.545 6.289 2.010 100 1HG1 ILE 12 HG1 ILE 12 -8.697 5.225 0.981 101 2HG1 ILE 12 HG1 ILE 12 -8.025 6.370 2.176 102 1HG2 ILE 12 HMG ILE 12 -10.813 5.953 4.608 103 2HG2 ILE 12 HMG ILE 12 -9.030 5.916 4.554 104 3HG2 ILE 12 HMG ILE 12 -9.911 7.336 3.932 105 1HD1 ILE 12 HMD ILE 12 -8.406 3.449 2.830 106 2HD1 ILE 12 HMD ILE 12 -6.952 4.045 1.986 107 3HD1 ILE 12 HMD ILE 12 -7.348 4.651 3.616 108 H LYS 13 HN LYS 13 -12.546 4.760 0.976 109 HA LYS 13 HA LYS 13 -14.769 5.371 2.678 110 1HB LYS 13 HBR LYS 13 -14.386 4.695 -0.215 111 2HB LYS 13 HBS LYS 13 -16.023 4.559 0.491 112 1HG LYS 13 HGR LYS 13 -15.036 7.049 1.369 113 2HG LYS 13 HGS LYS 13 -14.551 6.924 -0.346 114 1HD LYS 13 HDS LYS 13 -16.977 6.195 -0.773 115 2HD LYS 13 HDR LYS 13 -17.304 6.792 0.831 116 1HE LYS 13 HES LYS 13 -15.796 8.757 -0.635 117 2HE LYS 13 HER LYS 13 -17.251 8.249 -1.538 118 1HZ LYS 13 HZC LYS 13 -17.592 8.771 1.274 119 2HZ LYS 13 HZA LYS 13 -17.295 10.075 0.338 120 3HZ LYS 13 HZB LYS 13 -18.577 9.116 0.019 121 H ASP 14 HN ASP 14 -13.651 2.412 1.025 122 HA ASP 14 HA ASP 14 -15.717 0.787 1.678 123 1HB ASP 14 HBS ASP 14 -13.858 0.271 0.132 124 2HB ASP 14 HBR ASP 14 -12.846 -0.124 1.554 125 H ALA 15 HN ALA 15 -12.913 1.529 3.691 126 HA ALA 15 HA ALA 15 -13.565 0.094 5.998 127 1HB ALA 15 HMB ALA 15 -11.648 1.857 5.334 128 2HB ALA 15 HMB ALA 15 -12.677 2.903 6.349 129 3HB ALA 15 HMB ALA 15 -12.017 1.386 7.013 130 H GLY 16 HN GLY 16 -14.767 3.261 4.889 131 1HA GLY 16 HAR GLY 16 -17.154 3.637 5.524 132 2HA GLY 16 HAS GLY 16 -16.658 3.330 7.208 133 H ALA 17 HN ALA 17 -14.305 4.947 5.305 134 HA ALA 17 HA ALA 17 -14.481 7.502 6.522 135 1HB ALA 17 HMB ALA 17 -12.774 6.228 4.786 136 2HB ALA 17 HMB ALA 17 -13.515 7.481 3.757 137 3HB ALA 17 HMB ALA 17 -12.693 7.942 5.269 138 H GLU 18 HN GLU 18 -15.439 9.386 5.925 139 HA GLU 18 HA GLU 18 -17.570 9.192 3.852 140 1HB GLU 18 HBS GLU 18 -17.511 9.783 6.509 141 2HB GLU 18 HBR GLU 18 -17.505 11.341 5.887 142 1HG GLU 18 HGS GLU 18 -19.539 10.644 4.473 143 2HG GLU 18 HGR GLU 18 -19.596 9.123 5.404 144 H ARG 19 HN ARG 19 -15.281 11.536 5.319 145 HA ARG 19 HA ARG 19 -15.233 13.017 2.733 146 1HB ARG 19 HBR ARG 19 -16.788 14.051 4.397 147 2HB ARG 19 HBS ARG 19 -15.392 14.274 5.490 148 1HG ARG 19 HGS ARG 19 -14.902 16.199 4.497 149 2HG ARG 19 HGR ARG 19 -14.724 15.363 2.928 150 1HD ARG 19 HDS ARG 19 -17.428 15.469 3.201 151 2HD ARG 19 HDR ARG 19 -16.921 16.989 3.989 152 HE ARG 19 HE ARG 19 -16.149 17.783 1.932 153 1HH1 ARG 19 HH1 ARG 19 -17.462 14.525 1.637 154 2HH1 ARG 19 HH1 ARG 19 -17.323 14.507 -0.089 155 1HH2 ARG 19 HH2 ARG 19 -15.863 17.674 -0.314 156 2HH2 ARG 19 HH2 ARG 19 -16.420 16.289 -1.194 157 H VAL 20 HN VAL 20 -13.250 12.946 2.005 158 HA VAL 20 HA VAL 20 -10.989 13.161 3.923 159 HB VAL 20 HB VAL 20 -11.326 11.167 1.673 160 1HG1 VAL 20 HMG VAL 20 -8.955 11.754 3.447 161 2HG1 VAL 20 HMG VAL 20 -9.173 10.200 2.609 162 3HG1 VAL 20 HMG VAL 20 -9.033 11.705 1.670 163 1HG2 VAL 20 HMG VAL 20 -12.361 11.000 4.187 164 2HG2 VAL 20 HMG VAL 20 -11.929 9.613 3.160 165 3HG2 VAL 20 HMG VAL 20 -10.787 10.195 4.393 166 H SER 21 HN SER 21 -9.413 14.475 3.387 167 HA SER 21 HA SER 21 -9.481 16.089 0.990 168 1HB SER 21 HBS SER 21 -7.494 17.079 1.759 169 2HB SER 21 HBR SER 21 -8.500 16.789 3.207 170 HG SER 21 HG SER 21 -7.360 14.953 3.732 171 H ASP 22 HN ASP 22 -7.846 16.127 -0.631 172 HA ASP 22 HA ASP 22 -7.042 13.508 -1.576 173 1HB ASP 22 HBR ASP 22 -6.176 14.573 -3.477 174 2HB ASP 22 HBS ASP 22 -7.731 15.357 -3.075 175 H ASP 23 HN ASP 23 -5.738 15.952 0.467 176 HA ASP 23 HA ASP 23 -3.028 15.060 0.235 177 1HB ASP 23 HBR ASP 23 -4.207 16.728 2.452 178 2HB ASP 23 HBS ASP 23 -2.496 16.601 1.947 179 H ALA 24 HN ALA 24 -5.724 14.243 2.324 180 HA ALA 24 HA ALA 24 -4.296 12.453 4.090 181 1HB ALA 24 HMB ALA 24 -6.601 13.352 4.468 182 2HB ALA 24 HMB ALA 24 -7.169 12.297 3.149 183 3HB ALA 24 HMB ALA 24 -6.452 11.583 4.616 184 H ARG 25 HN ARG 25 -6.000 12.150 0.968 185 HA ARG 25 HA ARG 25 -5.623 9.415 0.617 186 1HB ARG 25 HBS ARG 25 -6.252 11.716 -1.135 187 2HB ARG 25 HBR ARG 25 -5.537 10.298 -1.954 188 1HG ARG 25 HGS ARG 25 -7.654 9.566 -2.094 189 2HG ARG 25 HGR ARG 25 -7.449 9.128 -0.374 190 1HD ARG 25 HDS ARG 25 -8.984 10.583 0.234 191 2HD ARG 25 HDR ARG 25 -8.124 11.904 -0.606 192 HE ARG 25 HE ARG 25 -9.413 11.415 -2.588 193 1HH1 ARG 25 HH1 ARG 25 -10.349 9.412 0.159 194 2HH1 ARG 25 HH1 ARG 25 -11.965 9.184 -0.419 195 1HH2 ARG 25 HH2 ARG 25 -11.572 11.201 -3.245 196 2HH2 ARG 25 HH2 ARG 25 -12.658 10.194 -2.346 197 H ILE 26 HN ILE 26 -3.494 12.121 -0.252 198 HA ILE 26 HA ILE 26 -1.812 10.472 -1.891 199 HB ILE 26 HB ILE 26 -2.363 12.947 -2.212 200 1HG1 ILE 26 HG1 ILE 26 0.518 11.977 -2.308 201 2HG1 ILE 26 HG1 ILE 26 -0.741 11.778 -3.561 202 1HG2 ILE 26 HMG ILE 26 -1.866 13.693 0.092 203 2HG2 ILE 26 HMG ILE 26 -0.135 13.384 -0.212 204 3HG2 ILE 26 HMG ILE 26 -0.999 14.624 -1.158 205 1HD1 ILE 26 HMD ILE 26 -0.747 14.439 -3.433 206 2HD1 ILE 26 HMD ILE 26 0.919 14.158 -2.862 207 3HD1 ILE 26 HMD ILE 26 0.404 13.537 -4.453 208 H THR 27 HN THR 27 -1.735 11.565 1.436 209 HA THR 27 HA THR 27 1.065 10.959 1.945 210 HB THR 27 HB THR 27 -1.340 11.334 3.815 211 HG1 THR 27 HG1 THR 27 -0.869 13.086 3.841 212 1HG2 THR 27 HMG THR 27 0.860 9.926 4.553 213 2HG2 THR 27 HMG THR 27 1.382 11.586 4.935 214 3HG2 THR 27 HMG THR 27 -0.111 10.934 5.658 215 H LEU 28 HN LEU 28 -2.082 9.345 2.442 216 HA LEU 28 HA LEU 28 -1.072 6.785 3.191 217 1HB LEU 28 HBR LEU 28 -3.487 8.042 2.953 218 2HB LEU 28 HBS LEU 28 -3.517 6.965 1.533 219 HG LEU 28 HG LEU 28 -3.592 5.040 2.807 220 1HD1 LEU 28 HMD LEU 28 -1.718 5.558 4.335 221 2HD1 LEU 28 HMD LEU 28 -2.793 6.637 5.264 222 3HD1 LEU 28 HMD LEU 28 -3.135 4.891 5.184 223 1HD2 LEU 28 HMD LEU 28 -5.201 7.334 3.722 224 2HD2 LEU 28 HMD LEU 28 -5.700 5.719 3.157 225 3HD2 LEU 28 HMD LEU 28 -5.167 5.948 4.843 226 H ALA 29 HN ALA 29 -1.940 8.219 0.038 227 HA ALA 29 HA ALA 29 -1.298 6.066 -1.577 228 1HB ALA 29 HMB ALA 29 -2.418 8.145 -2.306 229 2HB ALA 29 HMB ALA 29 -0.850 8.991 -2.236 230 3HB ALA 29 HMB ALA 29 -1.089 7.649 -3.386 231 H LYS 30 HN LYS 30 0.855 8.728 -0.545 232 HA LYS 30 HA LYS 30 3.151 7.632 -1.807 233 1HB LYS 30 HBR LYS 30 2.561 10.048 -0.782 234 2HB LYS 30 HBS LYS 30 3.531 9.387 0.565 235 1HG LYS 30 HGR LYS 30 5.057 8.750 -1.656 236 2HG LYS 30 HGS LYS 30 4.371 10.342 -2.090 237 1HD LYS 30 HDS LYS 30 5.739 11.405 -0.746 238 2HD LYS 30 HDR LYS 30 5.218 10.444 0.611 239 1HE LYS 30 HES LYS 30 7.086 9.258 0.654 240 2HE LYS 30 HER LYS 30 6.985 8.933 -1.099 241 1HZ LYS 30 HZC LYS 30 7.708 11.609 -0.522 242 2HZ LYS 30 HZA LYS 30 8.772 10.548 0.118 243 3HZ LYS 30 HZB LYS 30 8.449 10.516 -1.482 244 H ILE 31 HN ILE 31 1.676 7.114 1.310 245 HA ILE 31 HA ILE 31 3.857 5.682 2.565 246 HB ILE 31 HB ILE 31 0.834 5.784 2.950 247 1HG1 ILE 31 HG1 ILE 31 2.919 6.599 4.964 248 2HG1 ILE 31 HG1 ILE 31 2.579 7.648 3.558 249 1HG2 ILE 31 HMG ILE 31 2.802 4.155 4.573 250 2HG2 ILE 31 HMG ILE 31 1.123 4.521 5.048 251 3HG2 ILE 31 HMG ILE 31 1.445 3.544 3.592 252 1HD1 ILE 31 HMD ILE 31 0.175 7.667 4.236 253 2HD1 ILE 31 HMD ILE 31 0.630 6.769 5.708 254 3HD1 ILE 31 HMD ILE 31 1.273 8.410 5.430 255 H LEU 32 HN LEU 32 0.757 4.364 1.390 256 HA LEU 32 HA LEU 32 1.600 1.786 1.348 257 1HB LEU 32 HBR LEU 32 -0.569 3.275 -0.113 258 2HB LEU 32 HBS LEU 32 -0.379 1.510 -0.308 259 HG LEU 32 HG LEU 32 -0.397 2.133 2.487 260 1HD1 LEU 32 HMD LEU 32 -2.210 3.753 0.828 261 2HD1 LEU 32 HMD LEU 32 -3.027 2.804 2.096 262 3HD1 LEU 32 HMD LEU 32 -1.727 3.942 2.532 263 1HD2 LEU 32 HMD LEU 32 -1.101 0.095 0.995 264 2HD2 LEU 32 HMD LEU 32 -1.963 0.431 2.517 265 3HD2 LEU 32 HMD LEU 32 -2.682 0.915 0.961 266 H GLU 33 HN GLU 33 1.993 4.146 -1.225 267 HA GLU 33 HA GLU 33 2.767 2.242 -3.216 268 1HB GLU 33 HBR GLU 33 3.030 4.096 -4.555 269 2HB GLU 33 HBS GLU 33 1.808 4.478 -3.471 270 1HG GLU 33 HGS GLU 33 2.835 6.439 -3.272 271 2HG GLU 33 HGR GLU 33 3.775 5.608 -2.004 272 H GLU 34 HN GLU 34 4.585 4.359 -0.993 273 HA GLU 34 HA GLU 34 7.222 3.687 -2.047 274 1HB GLU 34 HBR GLU 34 6.109 4.993 0.432 275 2HB GLU 34 HBS GLU 34 7.717 4.519 0.347 276 1HG GLU 34 HGS GLU 34 7.527 5.803 -2.042 277 2HG GLU 34 HGR GLU 34 6.497 6.850 -1.030 278 H MET 35 HN MET 35 4.889 2.393 0.228 279 HA MET 35 HA MET 35 6.652 0.397 1.373 280 1HB MET 35 HBR MET 35 4.248 1.359 2.112 281 2HB MET 35 HBS MET 35 3.732 -0.116 1.246 282 1HG MET 35 HGS MET 35 5.313 -1.454 2.638 283 2HG MET 35 HGR MET 35 5.760 0.032 3.511 284 1HE MET 35 HME MET 35 4.018 1.633 4.377 285 2HE MET 35 HME MET 35 2.485 1.438 3.489 286 3HE MET 35 HME MET 35 2.541 1.147 5.246 287 H GLY 36 HN GLY 36 4.204 0.464 -1.225 288 1HA GLY 36 HAR GLY 36 4.480 -2.198 -2.074 289 2HA GLY 36 HAS GLY 36 3.924 -0.847 -3.097 290 H ARG 37 HN ARG 37 6.126 0.765 -3.230 291 HA ARG 37 HA ARG 37 7.984 -0.500 -4.986 292 1HB ARG 37 HBR ARG 37 7.412 2.070 -4.406 293 2HB ARG 37 HBS ARG 37 8.883 1.857 -3.413 294 1HG ARG 37 HGS ARG 37 8.771 1.144 -6.354 295 2HG ARG 37 HGR ARG 37 9.202 2.775 -5.769 296 1HD ARG 37 HDS ARG 37 10.596 0.182 -5.108 297 2HD ARG 37 HDR ARG 37 11.184 1.469 -6.197 298 HE ARG 37 HE ARG 37 10.809 2.784 -3.836 299 1HH1 ARG 37 HH1 ARG 37 12.736 0.032 -4.904 300 2HH1 ARG 37 HH1 ARG 37 13.853 0.164 -3.587 301 1HH2 ARG 37 HH2 ARG 37 12.218 2.849 -2.061 302 2HH2 ARG 37 HH2 ARG 37 13.562 1.760 -1.979 303 H ASP 38 HN ASP 38 7.750 -0.210 -1.513 304 HA ASP 38 HA ASP 38 10.459 -0.883 -1.001 305 1HB ASP 38 HBR ASP 38 8.139 -0.167 0.524 306 2HB ASP 38 HBS ASP 38 8.980 -1.550 1.282 307 H ILE 39 HN ILE 39 7.472 -2.835 -0.860 308 HA ILE 39 HA ILE 39 8.810 -5.276 -0.101 309 HB ILE 39 HB ILE 39 6.139 -5.006 -1.557 310 1HG1 ILE 39 HG1 ILE 39 6.494 -4.950 1.455 311 2HG1 ILE 39 HG1 ILE 39 6.430 -3.466 0.464 312 1HG2 ILE 39 HMG ILE 39 7.235 -7.099 0.330 313 2HG2 ILE 39 HMG ILE 39 5.549 -7.030 -0.250 314 3HG2 ILE 39 HMG ILE 39 6.882 -7.279 -1.409 315 1HD1 ILE 39 HMD ILE 39 4.252 -5.569 0.497 316 2HD1 ILE 39 HMD ILE 39 4.262 -4.123 1.542 317 3HD1 ILE 39 HMD ILE 39 4.191 -3.942 -0.232 318 H ALA 40 HN ALA 40 7.845 -3.758 -3.163 319 HA ALA 40 HA ALA 40 8.181 -6.058 -4.800 320 1HB ALA 40 HMB ALA 40 7.219 -3.503 -5.136 321 2HB ALA 40 HMB ALA 40 8.709 -3.496 -6.112 322 3HB ALA 40 HMB ALA 40 7.452 -4.721 -6.416 323 H SER 41 HN SER 41 10.319 -3.233 -4.248 324 HA SER 41 HA SER 41 12.485 -4.216 -5.821 325 1HB SER 41 HBR SER 41 13.808 -2.497 -4.827 326 2HB SER 41 HBS SER 41 12.173 -1.848 -5.144 327 HG SER 41 HG SER 41 11.995 -1.290 -3.213 328 H GLU 42 HN GLU 42 11.429 -4.775 -2.526 329 HA GLU 42 HA GLU 42 13.681 -6.336 -1.630 330 1HB GLU 42 HBS GLU 42 10.999 -5.662 -0.929 331 2HB GLU 42 HBR GLU 42 11.154 -7.319 -0.718 332 1HG GLU 42 HGS GLU 42 12.527 -5.012 0.623 333 2HG GLU 42 HGR GLU 42 11.814 -6.424 1.448 334 H ALA 43 HN ALA 43 10.484 -7.317 -2.941 335 HA ALA 43 HA ALA 43 11.164 -9.978 -3.415 336 1HB ALA 43 HMB ALA 43 9.110 -8.216 -4.773 337 2HB ALA 43 HMB ALA 43 9.196 -9.989 -4.925 338 3HB ALA 43 HMB ALA 43 8.888 -9.245 -3.335 339 H ILE 44 HN ILE 44 12.236 -7.215 -5.086 340 HA ILE 44 HA ILE 44 12.643 -8.612 -7.559 341 HB ILE 44 HB ILE 44 12.254 -5.994 -6.767 342 1HG1 ILE 44 HG1 ILE 44 13.288 -6.185 -9.498 343 2HG1 ILE 44 HG1 ILE 44 12.222 -7.552 -9.061 344 1HG2 ILE 44 HMG ILE 44 14.711 -5.720 -6.275 345 2HG2 ILE 44 HMG ILE 44 14.994 -5.901 -8.025 346 3HG2 ILE 44 HMG ILE 44 13.978 -4.567 -7.420 347 1HD1 ILE 44 HMD ILE 44 10.746 -5.527 -8.097 348 2HD1 ILE 44 HMD ILE 44 11.601 -4.662 -9.402 349 3HD1 ILE 44 HMD ILE 44 10.622 -6.105 -9.781 350 H LYS 45 HN LYS 45 14.926 -7.150 -5.205 351 HA LYS 45 HA LYS 45 17.254 -8.567 -6.128 352 1HB LYS 45 HBS LYS 45 16.879 -6.561 -4.368 353 2HB LYS 45 HBR LYS 45 16.973 -7.942 -3.237 354 1HG LYS 45 HGR LYS 45 19.066 -7.751 -5.368 355 2HG LYS 45 HGS LYS 45 19.140 -6.572 -4.027 356 1HD LYS 45 HDS LYS 45 18.667 -9.125 -2.891 357 2HD LYS 45 HDR LYS 45 19.911 -9.326 -4.095 358 1HE LYS 45 HES LYS 45 21.096 -8.850 -2.159 359 2HE LYS 45 HER LYS 45 21.061 -7.310 -3.062 360 1HZ LYS 45 HZB LYS 45 18.962 -6.946 -1.637 361 2HZ LYS 45 HZC LYS 45 19.641 -8.044 -0.636 362 3HZ LYS 45 HZA LYS 45 20.437 -6.664 -0.996 363 H LEU 46 HN LEU 46 14.384 -9.500 -4.507 364 HA LEU 46 HA LEU 46 15.414 -11.853 -3.148 365 1HB LEU 46 HBR LEU 46 12.850 -10.526 -3.729 366 2HB LEU 46 HBS LEU 46 12.767 -12.309 -3.713 367 HG LEU 46 HG LEU 46 13.517 -12.379 -1.430 368 1HD1 LEU 46 HMD LEU 46 14.827 -10.065 -2.009 369 2HD1 LEU 46 HMD LEU 46 13.451 -9.444 -1.062 370 3HD1 LEU 46 HMD LEU 46 14.536 -10.671 -0.359 371 1HD2 LEU 46 HMD LEU 46 11.087 -11.530 -2.210 372 2HD2 LEU 46 HMD LEU 46 11.547 -11.735 -0.502 373 3HD2 LEU 46 HMD LEU 46 11.595 -10.119 -1.248 374 H ALA 47 HN ALA 47 13.344 -11.492 -6.051 375 HA ALA 47 HA ALA 47 13.985 -13.945 -7.251 376 1HB ALA 47 HMB ALA 47 12.136 -12.422 -7.898 377 2HB ALA 47 HMB ALA 47 13.333 -11.343 -8.658 378 3HB ALA 47 HMB ALA 47 13.108 -12.999 -9.275 379 H ARG 48 HN ARG 48 15.889 -11.115 -6.842 380 HA ARG 48 HA ARG 48 17.730 -11.819 -9.011 381 1HB ARG 48 HBS ARG 48 16.964 -9.426 -8.109 382 2HB ARG 48 HBR ARG 48 18.354 -9.682 -7.015 383 1HG ARG 48 HGS ARG 48 19.706 -10.171 -9.142 384 2HG ARG 48 HGR ARG 48 18.329 -9.459 -10.030 385 1HD ARG 48 HDS ARG 48 18.594 -7.380 -8.971 386 2HD ARG 48 HDR ARG 48 19.702 -8.059 -7.746 387 HE ARG 48 HE ARG 48 20.366 -7.247 -10.471 388 1HH1 ARG 48 HH1 ARG 48 21.317 -9.352 -7.807 389 2HH1 ARG 48 HH1 ARG 48 23.006 -9.232 -8.171 390 1HH2 ARG 48 HH2 ARG 48 22.591 -7.003 -10.831 391 2HH2 ARG 48 HH2 ARG 48 23.727 -7.905 -9.883 392 H HIS 49 HN HIS 49 17.463 -12.097 -5.538 393 HA HIS 49 HA HIS 49 20.060 -13.112 -4.960 394 1HB HIS 49 HBS HIS 49 17.542 -12.988 -3.576 395 2HB HIS 49 HBR HIS 49 18.130 -14.676 -3.538 396 HD1 HIS 49 HD1 HIS 49 20.496 -11.683 -3.472 397 HD2 HIS 49 HD2 HIS 49 18.920 -14.549 -0.893 398 HE1 HIS 49 HE1 HIS 49 21.688 -11.398 -1.285 399 HE2 HIS 49 HE2 HIS 49 20.722 -13.116 0.286 400 H ALA 50 HN ALA 50 17.140 -14.564 -6.356 401 HA ALA 50 HA ALA 50 18.374 -17.089 -7.067 402 1HB ALA 50 HMB ALA 50 15.841 -15.901 -7.272 403 2HB ALA 50 HMB ALA 50 16.401 -16.129 -8.949 404 3HB ALA 50 HMB ALA 50 16.335 -17.519 -7.836 405 H GLY 51 HN GLY 51 17.965 -13.904 -8.610 406 1HA GLY 51 HAR GLY 51 19.421 -12.999 -10.177 407 2HA GLY 51 HAS GLY 51 19.972 -14.633 -10.634 408 H ARG 52 HN ARG 52 16.667 -14.799 -10.510 409 HA ARG 52 HA ARG 52 15.598 -13.992 -12.784 410 1HB ARG 52 HBS ARG 52 16.026 -15.963 -14.418 411 2HB ARG 52 HBR ARG 52 17.160 -14.582 -14.370 412 1HG ARG 52 HGS ARG 52 18.451 -16.127 -12.657 413 2HG ARG 52 HGR ARG 52 17.548 -17.424 -13.490 414 1HD ARG 52 HDS ARG 52 19.855 -16.838 -14.370 415 2HD ARG 52 HDR ARG 52 18.517 -16.937 -15.548 416 HE ARG 52 HE ARG 52 18.512 -14.527 -15.672 417 1HH1 ARG 52 HH1 ARG 52 21.063 -15.762 -13.574 418 2HH1 ARG 52 HH1 ARG 52 22.080 -14.380 -13.815 419 1HH2 ARG 52 HH2 ARG 52 19.926 -12.801 -16.068 420 2HH2 ARG 52 HH2 ARG 52 21.435 -12.702 -15.224 421 H LYS 53 HN LYS 53 13.659 -14.474 -12.060 422 HA LYS 53 HA LYS 53 12.582 -16.926 -12.912 423 1HB LYS 53 HBS LYS 53 13.595 -17.066 -10.229 424 2HB LYS 53 HBR LYS 53 11.811 -17.157 -10.194 425 1HG LYS 53 HGR LYS 53 12.989 -18.828 -12.298 426 2HG LYS 53 HGS LYS 53 13.566 -19.267 -10.665 427 1HD LYS 53 HDS LYS 53 11.427 -19.731 -9.880 428 2HD LYS 53 HDR LYS 53 10.656 -18.843 -11.167 429 1HE LYS 53 HES LYS 53 10.394 -21.267 -11.422 430 2HE LYS 53 HER LYS 53 11.243 -20.497 -12.792 431 1HZ LYS 53 HZA LYS 53 13.311 -21.219 -11.791 432 2HZ LYS 53 HZB LYS 53 12.506 -21.973 -10.586 433 3HZ LYS 53 HZC LYS 53 12.345 -22.492 -12.126 434 H THR 54 HN THR 54 12.185 -14.045 -12.998 435 HA THR 54 HA THR 54 10.508 -12.497 -12.988 436 HB THR 54 HB THR 54 8.838 -15.066 -12.795 437 HG1 THR 54 HG1 THR 54 10.112 -15.010 -14.259 438 1HG2 THR 54 HMG THR 54 7.751 -12.652 -12.315 439 2HG2 THR 54 HMG THR 54 7.692 -12.659 -14.096 440 3HG2 THR 54 HMG THR 54 6.901 -13.963 -13.172 441 H ILE 55 HN ILE 55 9.017 -11.327 -11.729 442 HA ILE 55 HA ILE 55 9.277 -11.684 -8.826 443 HB ILE 55 HB ILE 55 7.469 -9.726 -10.314 444 1HG1 ILE 55 HG1 ILE 55 9.604 -9.385 -11.291 445 2HG1 ILE 55 HG1 ILE 55 9.370 -8.085 -10.089 446 1HG2 ILE 55 HMG ILE 55 7.489 -10.221 -7.698 447 2HG2 ILE 55 HMG ILE 55 8.828 -9.044 -7.762 448 3HG2 ILE 55 HMG ILE 55 7.215 -8.593 -8.373 449 1HD1 ILE 55 HMD ILE 55 10.952 -10.605 -9.534 450 2HD1 ILE 55 HMD ILE 55 11.674 -9.102 -10.165 451 3HD1 ILE 55 HMD ILE 55 10.887 -9.110 -8.565 452 H LYS 56 HN LYS 56 7.753 -12.451 -7.488 453 HA LYS 56 HA LYS 56 5.405 -13.808 -8.698 454 1HB LYS 56 HBR LYS 56 7.657 -15.199 -7.210 455 2HB LYS 56 HBS LYS 56 6.084 -15.931 -7.637 456 1HG LYS 56 HGR LYS 56 6.787 -15.178 -10.088 457 2HG LYS 56 HGS LYS 56 8.429 -15.248 -9.387 458 1HD LYS 56 HDS LYS 56 6.465 -17.528 -9.223 459 2HD LYS 56 HDR LYS 56 7.554 -17.303 -10.564 460 1HE LYS 56 HES LYS 56 9.468 -17.299 -8.945 461 2HE LYS 56 HER LYS 56 8.288 -17.772 -7.691 462 1HZ LYS 56 HZC LYS 56 8.471 -19.302 -10.162 463 2HZ LYS 56 HZA LYS 56 9.562 -19.561 -8.976 464 3HZ LYS 56 HZB LYS 56 7.971 -19.783 -8.684 465 H ALA 57 HN ALA 57 4.318 -15.151 -6.881 466 HA ALA 57 HA ALA 57 3.331 -13.249 -5.049 467 1HB ALA 57 HMB ALA 57 2.917 -16.117 -5.636 468 2HB ALA 57 HMB ALA 57 2.487 -15.591 -3.989 469 3HB ALA 57 HMB ALA 57 1.744 -14.797 -5.400 470 H GLU 58 HN GLU 58 5.121 -16.274 -4.321 471 HA GLU 58 HA GLU 58 5.675 -15.632 -1.647 472 1HB GLU 58 HBS GLU 58 6.413 -17.517 -3.689 473 2HB GLU 58 HBR GLU 58 7.745 -17.254 -2.704 474 1HG GLU 58 HGS GLU 58 6.463 -17.923 -0.716 475 2HG GLU 58 HGR GLU 58 4.942 -18.009 -1.646 476 H ASP 59 HN ASP 59 7.110 -14.488 -4.573 477 HA ASP 59 HA ASP 59 9.531 -13.484 -3.396 478 1HB ASP 59 HBS ASP 59 8.213 -13.357 -6.002 479 2HB ASP 59 HBR ASP 59 9.098 -11.871 -5.550 480 H ILE 60 HN ILE 60 6.261 -12.234 -3.838 481 HA ILE 60 HA ILE 60 6.765 -9.728 -2.447 482 HB ILE 60 HB ILE 60 4.385 -11.261 -3.467 483 1HG1 ILE 60 HG1 ILE 60 3.859 -9.133 -4.488 484 2HG1 ILE 60 HG1 ILE 60 5.141 -8.322 -3.542 485 1HG2 ILE 60 HMG ILE 60 4.144 -9.249 -1.231 486 2HG2 ILE 60 HMG ILE 60 2.844 -9.560 -2.414 487 3HG2 ILE 60 HMG ILE 60 3.424 -10.876 -1.360 488 1HD1 ILE 60 HMD ILE 60 6.819 -9.759 -4.704 489 2HD1 ILE 60 HMD ILE 60 5.506 -10.384 -5.735 490 3HD1 ILE 60 HMD ILE 60 5.936 -8.655 -5.790 491 H GLU 61 HN GLU 61 5.401 -12.932 -1.578 492 HA GLU 61 HA GLU 61 4.631 -12.226 0.978 493 1HB GLU 61 HBR GLU 61 5.580 -14.936 0.022 494 2HB GLU 61 HBS GLU 61 4.684 -14.628 1.406 495 1HG GLU 61 HGS GLU 61 2.924 -13.481 -0.042 496 2HG GLU 61 HGR GLU 61 3.651 -14.327 -1.435 497 H LEU 62 HN LEU 62 7.671 -13.832 -0.013 498 HA LEU 62 HA LEU 62 9.022 -13.674 2.483 499 1HB LEU 62 HBS LEU 62 9.483 -14.731 0.038 500 2HB LEU 62 HBR LEU 62 10.545 -13.296 -0.032 501 HG LEU 62 HG LEU 62 11.690 -14.068 2.006 502 1HD1 LEU 62 HMD LEU 62 9.443 -15.759 2.234 503 2HD1 LEU 62 HMD LEU 62 10.829 -16.821 1.885 504 3HD1 LEU 62 HMD LEU 62 10.887 -15.713 3.278 505 1HD2 LEU 62 HMD LEU 62 12.003 -14.841 -0.567 506 2HD2 LEU 62 HMD LEU 62 13.090 -15.339 0.755 507 3HD2 LEU 62 HMD LEU 62 11.791 -16.430 0.211 508 H ALA 63 HN ALA 63 8.903 -11.431 -0.303 509 HA ALA 63 HA ALA 63 10.647 -9.545 0.653 510 1HB ALA 63 HMB ALA 63 8.362 -9.511 -1.254 511 2HB ALA 63 HMB ALA 63 9.021 -7.942 -0.727 512 3HB ALA 63 HMB ALA 63 10.087 -9.140 -1.506 513 H VAL 64 HN VAL 64 7.244 -9.950 1.474 514 HA VAL 64 HA VAL 64 7.108 -7.364 2.675 515 HB VAL 64 HB VAL 64 5.410 -9.160 1.497 516 1HG1 VAL 64 HMG VAL 64 4.601 -9.032 4.414 517 2HG1 VAL 64 HMG VAL 64 3.470 -9.373 3.082 518 3HG1 VAL 64 HMG VAL 64 4.845 -10.463 3.383 519 1HG2 VAL 64 HMG VAL 64 5.424 -6.620 1.622 520 2HG2 VAL 64 HMG VAL 64 3.853 -7.446 1.486 521 3HG2 VAL 64 HMG VAL 64 4.381 -6.792 3.056 522 H ARG 65 HN ARG 65 6.920 -10.672 4.022 523 HA ARG 65 HA ARG 65 7.182 -9.930 6.759 524 1HB ARG 65 HBR ARG 65 6.515 -12.172 6.061 525 2HB ARG 65 HBS ARG 65 8.129 -12.443 5.342 526 1HG ARG 65 HGS ARG 65 8.897 -13.185 7.291 527 2HG ARG 65 HGR ARG 65 8.456 -11.642 8.077 528 1HD ARG 65 HDS ARG 65 6.960 -12.756 9.245 529 2HD ARG 65 HDR ARG 65 6.050 -12.999 7.728 530 HE ARG 65 HE ARG 65 8.045 -14.987 7.882 531 1HH1 ARG 65 HH1 ARG 65 4.932 -14.096 9.275 532 2HH1 ARG 65 HH1 ARG 65 4.619 -15.692 9.872 533 1HH2 ARG 65 HH2 ARG 65 7.659 -17.029 8.787 534 2HH2 ARG 65 HH2 ARG 65 6.161 -17.352 9.596 535 H ARG 66 HN ARG 66 9.360 -9.774 4.117 536 HA ARG 66 HA ARG 66 11.860 -9.869 5.587 537 1HB ARG 66 HBR ARG 66 11.179 -9.754 2.911 538 2HB ARG 66 HBS ARG 66 11.763 -8.100 3.247 539 1HG ARG 66 HGS ARG 66 13.582 -9.483 2.429 540 2HG ARG 66 HGR ARG 66 13.865 -9.044 4.138 541 1HD ARG 66 HDS ARG 66 13.131 -11.198 4.871 542 2HD ARG 66 HDR ARG 66 12.645 -11.643 3.210 543 HE ARG 66 HE ARG 66 15.482 -10.989 3.736 544 1HH1 ARG 66 HH1 ARG 66 13.039 -13.493 3.295 545 2HH1 ARG 66 HH1 ARG 66 14.177 -14.649 2.688 546 1HH2 ARG 66 HH2 ARG 66 16.917 -12.484 2.818 547 2HH2 ARG 66 HH2 ARG 66 16.371 -14.078 2.416 548 H PHE 67 HN PHE 67 10.386 -7.068 3.936 549 HA PHE 67 HA PHE 67 12.117 -5.356 5.304 550 1HB PHE 67 HBS PHE 67 11.038 -3.479 4.246 551 2HB PHE 67 HBR PHE 67 11.124 -4.822 3.072 552 HD1 PHE 67 HD2 PHE 67 8.702 -6.439 3.867 553 HD2 PHE 67 HD1 PHE 67 9.313 -2.229 3.624 554 HE1 PHE 67 HE2 PHE 67 6.255 -6.095 3.774 555 HE2 PHE 67 HE1 PHE 67 6.896 -1.872 3.404 556 HZ PHE 67 HZ PHE 67 5.359 -3.796 3.546 557 H LYS 68 HN LYS 68 8.826 -6.315 6.040 558 HA LYS 68 HA LYS 68 8.197 -4.221 7.819 559 1HB LYS 68 HBS LYS 68 6.538 -5.762 6.841 560 2HB LYS 68 HBR LYS 68 7.180 -7.081 7.860 561 1HG LYS 68 HGR LYS 68 6.624 -5.546 9.862 562 2HG LYS 68 HGS LYS 68 5.648 -4.606 8.697 563 1HD LYS 68 HDS LYS 68 5.253 -7.562 8.901 564 2HD LYS 68 HDR LYS 68 4.628 -6.531 10.158 565 1HE LYS 68 HES LYS 68 2.991 -5.682 8.890 566 2HE LYS 68 HER LYS 68 4.031 -5.612 7.440 567 1HZ LYS 68 HZB LYS 68 3.490 -8.268 8.188 568 2HZ LYS 68 HZC LYS 68 2.094 -7.449 7.973 569 3HZ LYS 68 HZA LYS 68 3.195 -7.515 6.769 570 H LYS 69 HN LYS 69 8.188 -4.065 10.039 571 HA LYS 69 HA LYS 69 9.818 -5.957 11.620 572 1HB LYS 69 HBS LYS 69 11.287 -4.208 10.406 573 2HB LYS 69 HBR LYS 69 10.566 -3.036 11.546 574 1HG LYS 69 HGR LYS 69 11.374 -4.472 13.436 575 2HG LYS 69 HGS LYS 69 12.209 -5.503 12.238 576 1HD LYS 69 HDS LYS 69 13.963 -4.208 12.571 577 2HD LYS 69 HDR LYS 69 13.138 -3.106 11.503 578 1HE LYS 69 HES LYS 69 13.927 -1.913 13.436 579 2HE LYS 69 HER LYS 69 12.141 -1.948 13.404 580 1HZ LYS 69 HZC LYS 69 12.229 -3.748 14.984 581 2HZ LYS 69 HZA LYS 69 13.861 -3.698 15.024 582 3HZ LYS 69 HZB LYS 69 12.991 -2.433 15.580 583 1H MET 1 HNC MET 1 -8.078 -1.891 -8.273 584 2H MET 1 HN MET 1 -9.377 -2.293 -9.178 585 3H MET 1 HNB MET 1 -8.919 -0.730 -9.054 586 HA MET 1 HA MET 1 -9.912 -0.371 -7.161 587 1HB MET 1 HBS MET 1 -11.907 -1.745 -6.832 588 2HB MET 1 HBR MET 1 -11.656 -1.363 -8.559 589 1HG MET 1 HGS MET 1 -10.509 -3.640 -8.767 590 2HG MET 1 HGR MET 1 -11.096 -3.980 -7.121 591 1HE MET 1 HME MET 1 -13.734 -2.141 -7.201 592 2HE MET 1 HME MET 1 -15.011 -3.289 -7.675 593 3HE MET 1 HME MET 1 -13.776 -3.772 -6.486 594 H GLU 2 HN GLU 2 -8.727 -3.703 -7.389 595 HA GLU 2 HA GLU 2 -8.074 -3.624 -4.475 596 1HB GLU 2 HBR GLU 2 -7.747 -5.992 -4.671 597 2HB GLU 2 HBS GLU 2 -9.289 -5.504 -5.119 598 1HG GLU 2 HGS GLU 2 -7.662 -5.515 -7.478 599 2HG GLU 2 HGR GLU 2 -7.598 -7.134 -6.729 600 H LEU 3 HN LEU 3 -6.705 -1.822 -5.762 601 HA LEU 3 HA LEU 3 -4.791 -1.077 -6.797 602 1HB LEU 3 HBR LEU 3 -3.573 -3.521 -5.494 603 2HB LEU 3 HBS LEU 3 -2.818 -1.935 -5.815 604 HG LEU 3 HG LEU 3 -4.921 -2.574 -3.732 605 1HD1 LEU 3 HMD LEU 3 -1.979 -1.868 -3.650 606 2HD1 LEU 3 HMD LEU 3 -3.053 -1.719 -2.235 607 3HD1 LEU 3 HMD LEU 3 -2.790 -3.311 -2.991 608 1HD2 LEU 3 HMD LEU 3 -3.687 0.007 -4.713 609 2HD2 LEU 3 HMD LEU 3 -5.410 -0.408 -4.536 610 3HD2 LEU 3 HMD LEU 3 -4.403 -0.151 -3.089 611 HA PRO 4 HA PRO 4 -5.139 -3.615 -10.537 612 1HB PRO 4 HBR PRO 4 -4.541 -1.448 -12.032 613 2HB PRO 4 HBS PRO 4 -6.044 -2.072 -11.816 614 1HG PRO 4 HGS PRO 4 -4.955 0.233 -10.697 615 2HG PRO 4 HGR PRO 4 -6.562 -0.193 -10.835 616 1HD PRO 4 HDS PRO 4 -5.146 -0.258 -8.561 617 2HD PRO 4 HDR PRO 4 -6.597 -1.014 -8.800 618 H ILE 5 HN ILE 5 -3.684 -4.624 -11.754 619 HA ILE 5 HA ILE 5 -1.120 -4.571 -10.392 620 HB ILE 5 HB ILE 5 -0.645 -6.638 -11.595 621 1HG1 ILE 5 HG1 ILE 5 -1.755 -5.763 -13.742 622 2HG1 ILE 5 HG1 ILE 5 -1.826 -7.512 -13.393 623 1HG2 ILE 5 HMG ILE 5 -3.451 -6.520 -10.484 624 2HG2 ILE 5 HMG ILE 5 -2.603 -8.032 -10.902 625 3HG2 ILE 5 HMG ILE 5 -1.940 -6.956 -9.643 626 1HD1 ILE 5 HMD ILE 5 -4.159 -6.317 -12.277 627 2HD1 ILE 5 HMD ILE 5 -3.962 -5.698 -13.939 628 3HD1 ILE 5 HMD ILE 5 -4.027 -7.456 -13.644 629 H ALA 6 HN ALA 6 -2.406 -3.191 -13.238 630 HA ALA 6 HA ALA 6 0.025 -2.842 -14.708 631 1HB ALA 6 HMB ALA 6 -2.720 -1.795 -14.743 632 2HB ALA 6 HMB ALA 6 -1.485 -0.622 -15.265 633 3HB ALA 6 HMB ALA 6 -1.620 -2.197 -16.085 634 HA PRO 7 HA PRO 7 0.212 1.351 -12.323 635 1HB PRO 7 HBR PRO 7 -1.265 1.343 -10.040 636 2HB PRO 7 HBS PRO 7 -1.557 2.243 -11.381 637 1HG PRO 7 HGS PRO 7 -2.886 -0.041 -10.513 638 2HG PRO 7 HGR PRO 7 -3.398 1.099 -11.618 639 1HD PRO 7 HDS PRO 7 -2.575 -1.357 -12.255 640 2HD PRO 7 HDR PRO 7 -2.656 -0.089 -13.315 641 H ILE 8 HN ILE 8 -0.357 -1.264 -10.106 642 HA ILE 8 HA ILE 8 1.986 -0.838 -8.513 643 HB ILE 8 HB ILE 8 0.346 -3.349 -9.105 644 1HG1 ILE 8 HG1 ILE 8 0.285 -1.284 -6.881 645 2HG1 ILE 8 HG1 ILE 8 -0.995 -1.672 -8.065 646 1HG2 ILE 8 HMG ILE 8 2.698 -3.806 -8.322 647 2HG2 ILE 8 HMG ILE 8 2.258 -2.991 -6.797 648 3HG2 ILE 8 HMG ILE 8 1.390 -4.464 -7.304 649 1HD1 ILE 8 HMD ILE 8 -0.096 -3.883 -6.290 650 2HD1 ILE 8 HMD ILE 8 -1.015 -2.556 -5.533 651 3HD1 ILE 8 HMD ILE 8 -1.724 -3.471 -6.890 652 H GLY 9 HN GLY 9 1.389 -2.145 -11.682 653 1HA GLY 9 HAR GLY 9 3.723 -3.612 -12.145 654 2HA GLY 9 HAS GLY 9 2.839 -2.691 -13.389 655 H ARG 10 HN ARG 10 3.144 -0.130 -12.809 656 HA ARG 10 HA ARG 10 5.874 0.299 -13.577 657 1HB ARG 10 HBR ARG 10 3.487 2.095 -13.149 658 2HB ARG 10 HBS ARG 10 5.116 2.765 -13.454 659 1HG ARG 10 HGS ARG 10 5.152 1.310 -15.553 660 2HG ARG 10 HGR ARG 10 3.404 1.061 -15.279 661 1HD ARG 10 HDS ARG 10 3.291 2.863 -16.625 662 2HD ARG 10 HDR ARG 10 3.461 3.701 -15.057 663 HE ARG 10 HE ARG 10 5.558 3.392 -17.124 664 1HH1 ARG 10 HH1 ARG 10 4.696 4.498 -13.889 665 2HH1 ARG 10 HH1 ARG 10 5.934 5.708 -13.854 666 1HH2 ARG 10 HH2 ARG 10 7.080 5.072 -17.094 667 2HH2 ARG 10 HH2 ARG 10 7.285 6.033 -15.667 668 H ILE 11 HN ILE 11 4.148 0.436 -10.581 669 HA ILE 11 HA ILE 11 6.070 1.938 -9.031 670 HB ILE 11 HB ILE 11 4.075 -0.258 -8.295 671 1HG1 ILE 11 HG1 ILE 11 3.978 2.772 -8.043 672 2HG1 ILE 11 HG1 ILE 11 3.046 1.757 -9.179 673 1HG2 ILE 11 HMG ILE 11 6.217 0.822 -6.728 674 2HG2 ILE 11 HMG ILE 11 4.654 1.323 -6.032 675 3HG2 ILE 11 HMG ILE 11 4.999 -0.406 -6.295 676 1HD1 ILE 11 HMD ILE 11 2.272 0.649 -6.849 677 2HD1 ILE 11 HMD ILE 11 2.606 2.312 -6.296 678 3HD1 ILE 11 HMD ILE 11 1.436 2.027 -7.612 679 H ILE 12 HN ILE 12 5.542 -1.554 -9.637 680 HA ILE 12 HA ILE 12 7.955 -2.252 -8.175 681 HB ILE 12 HB ILE 12 5.949 -3.915 -9.767 682 1HG1 ILE 12 HG1 ILE 12 6.204 -3.029 -6.901 683 2HG1 ILE 12 HG1 ILE 12 4.789 -3.014 -7.984 684 1HG2 ILE 12 HMG ILE 12 8.448 -4.685 -8.345 685 2HG2 ILE 12 HMG ILE 12 7.033 -5.760 -8.186 686 3HG2 ILE 12 HMG ILE 12 7.682 -5.374 -9.801 687 1HD1 ILE 12 HMD ILE 12 5.262 -5.709 -7.709 688 2HD1 ILE 12 HMD ILE 12 5.717 -5.074 -6.105 689 3HD1 ILE 12 HMD ILE 12 4.092 -4.751 -6.764 690 H LYS 13 HN LYS 13 7.225 -1.324 -11.371 691 HA LYS 13 HA LYS 13 9.608 -2.447 -12.632 692 1HB LYS 13 HBR LYS 13 7.499 -0.483 -13.323 693 2HB LYS 13 HBS LYS 13 9.127 -0.113 -13.957 694 1HG LYS 13 HGR LYS 13 9.180 -2.006 -15.306 695 2HG LYS 13 HGS LYS 13 7.976 -2.876 -14.313 696 1HD LYS 13 HDS LYS 13 6.975 -0.416 -15.570 697 2HD LYS 13 HDR LYS 13 7.521 -1.623 -16.701 698 1HE LYS 13 HES LYS 13 5.811 -2.615 -14.501 699 2HE LYS 13 HER LYS 13 5.049 -1.556 -15.721 700 1HZ LYS 13 HZA LYS 13 6.561 -3.325 -17.124 701 2HZ LYS 13 HZB LYS 13 5.865 -4.240 -15.963 702 3HZ LYS 13 HZC LYS 13 4.935 -3.346 -16.966 703 H ASP 14 HN ASP 14 8.639 0.679 -11.168 704 HA ASP 14 HA ASP 14 11.084 1.840 -11.030 705 1HB ASP 14 HBS ASP 14 8.834 2.792 -10.407 706 2HB ASP 14 HBR ASP 14 9.103 2.089 -8.784 707 H ALA 15 HN ALA 15 9.753 -0.533 -8.778 708 HA ALA 15 HA ALA 15 11.868 -0.883 -7.029 709 1HB ALA 15 HMB ALA 15 9.569 -2.135 -7.390 710 2HB ALA 15 HMB ALA 15 10.608 -3.296 -8.256 711 3HB ALA 15 HMB ALA 15 10.931 -2.913 -6.546 712 H GLY 16 HN GLY 16 11.521 -2.145 -10.332 713 1HA GLY 16 HAR GLY 16 13.704 -2.344 -11.520 714 2HA GLY 16 HAS GLY 16 14.257 -3.344 -10.151 715 H ALA 17 HN ALA 17 10.943 -3.684 -11.051 716 HA ALA 17 HA ALA 17 11.253 -6.400 -11.635 717 1HB ALA 17 HMB ALA 17 9.271 -5.283 -10.641 718 2HB ALA 17 HMB ALA 17 8.876 -4.623 -12.248 719 3HB ALA 17 HMB ALA 17 8.870 -6.386 -11.981 720 H GLU 18 HN GLU 18 11.096 -7.623 -13.456 721 HA GLU 18 HA GLU 18 10.090 -6.461 -15.909 722 1HB GLU 18 HBR GLU 18 12.858 -6.507 -15.540 723 2HB GLU 18 HBS GLU 18 12.552 -7.950 -16.339 724 1HG GLU 18 HGS GLU 18 11.009 -6.003 -17.694 725 2HG GLU 18 HGR GLU 18 12.669 -5.354 -17.592 726 H ARG 19 HN ARG 19 8.645 -7.887 -16.511 727 HA ARG 19 HA ARG 19 7.414 -9.818 -16.645 728 1HB ARG 19 HBR ARG 19 9.879 -10.770 -17.288 729 2HB ARG 19 HBS ARG 19 9.557 -11.670 -15.777 730 1HG ARG 19 HGS ARG 19 8.562 -13.147 -17.152 731 2HG ARG 19 HGR ARG 19 7.193 -12.002 -17.089 732 1HD ARG 19 HDS ARG 19 8.411 -10.847 -19.062 733 2HD ARG 19 HDR ARG 19 9.252 -12.415 -19.224 734 HE ARG 19 HE ARG 19 6.864 -13.370 -19.323 735 1HH1 ARG 19 HH1 ARG 19 7.928 -10.318 -20.728 736 2HH1 ARG 19 HH1 ARG 19 6.590 -10.231 -21.824 737 1HH2 ARG 19 HH2 ARG 19 5.059 -13.155 -20.678 738 2HH2 ARG 19 HH2 ARG 19 4.964 -11.834 -21.794 739 H VAL 20 HN VAL 20 6.117 -9.431 -14.961 740 HA VAL 20 HA VAL 20 6.913 -10.616 -12.353 741 HB VAL 20 HB VAL 20 4.516 -8.856 -12.870 742 1HG1 VAL 20 HMG VAL 20 5.704 -10.139 -10.467 743 2HG1 VAL 20 HMG VAL 20 5.064 -8.489 -10.278 744 3HG1 VAL 20 HMG VAL 20 4.005 -9.791 -10.873 745 1HG2 VAL 20 HMG VAL 20 7.341 -8.111 -12.479 746 2HG2 VAL 20 HMG VAL 20 5.993 -7.206 -13.209 747 3HG2 VAL 20 HMG VAL 20 6.173 -7.260 -11.439 748 H SER 21 HN SER 21 5.084 -11.782 -11.271 749 HA SER 21 HA SER 21 3.464 -13.284 -13.268 750 1HB SER 21 HBS SER 21 5.000 -14.831 -12.404 751 2HB SER 21 HBR SER 21 4.800 -14.238 -10.730 752 HG SER 21 HG SER 21 3.270 -15.537 -10.398 753 H ASP 22 HN ASP 22 1.347 -13.637 -12.847 754 HA ASP 22 HA ASP 22 0.117 -11.430 -11.678 755 1HB ASP 22 HBS ASP 22 -0.753 -13.836 -13.085 756 2HB ASP 22 HBR ASP 22 -1.952 -13.197 -11.923 757 H ASP 23 HN ASP 23 0.927 -14.513 -10.302 758 HA ASP 23 HA ASP 23 -0.654 -14.322 -7.932 759 1HB ASP 23 HBS ASP 23 0.929 -16.236 -8.993 760 2HB ASP 23 HBR ASP 23 1.970 -15.616 -7.678 761 H ALA 24 HN ALA 24 2.573 -13.137 -8.816 762 HA ALA 24 HA ALA 24 3.246 -12.001 -6.347 763 1HB ALA 24 HMB ALA 24 4.454 -12.242 -8.759 764 2HB ALA 24 HMB ALA 24 4.081 -10.500 -8.750 765 3HB ALA 24 HMB ALA 24 5.044 -11.211 -7.431 766 H ARG 25 HN ARG 25 1.814 -10.364 -9.200 767 HA ARG 25 HA ARG 25 1.800 -7.821 -8.056 768 1HB ARG 25 HBR ARG 25 0.696 -9.091 -10.444 769 2HB ARG 25 HBS ARG 25 -0.348 -7.781 -9.820 770 1HG ARG 25 HGS ARG 25 1.018 -6.214 -10.621 771 2HG ARG 25 HGR ARG 25 2.439 -6.969 -9.845 772 1HD ARG 25 HDS ARG 25 3.137 -7.793 -11.764 773 2HD ARG 25 HDR ARG 25 1.544 -8.533 -12.091 774 HE ARG 25 HE ARG 25 1.969 -5.653 -12.656 775 1HH1 ARG 25 HH1 ARG 25 1.641 -8.937 -13.895 776 2HH1 ARG 25 HH1 ARG 25 1.071 -8.413 -15.444 777 1HH2 ARG 25 HH2 ARG 25 1.099 -5.010 -14.647 778 2HH2 ARG 25 HH2 ARG 25 0.767 -6.190 -15.871 779 H ILE 26 HN ILE 26 -0.645 -10.375 -7.968 780 HA ILE 26 HA ILE 26 -2.669 -8.679 -6.846 781 HB ILE 26 HB ILE 26 -2.472 -11.716 -7.140 782 1HG1 ILE 26 HG1 ILE 26 -4.199 -9.905 -8.822 783 2HG1 ILE 26 HG1 ILE 26 -2.447 -10.023 -9.153 784 1HG2 ILE 26 HMG ILE 26 -4.248 -10.400 -5.505 785 2HG2 ILE 26 HMG ILE 26 -5.162 -10.578 -7.026 786 3HG2 ILE 26 HMG ILE 26 -4.477 -12.016 -6.223 787 1HD1 ILE 26 HMD ILE 26 -3.419 -12.674 -8.893 788 2HD1 ILE 26 HMD ILE 26 -4.568 -11.792 -9.934 789 3HD1 ILE 26 HMD ILE 26 -2.838 -11.845 -10.361 790 H THR 27 HN THR 27 -0.460 -11.138 -5.531 791 HA THR 27 HA THR 27 -1.441 -11.235 -2.930 792 HB THR 27 HB THR 27 1.439 -11.576 -3.934 793 HG1 THR 27 HG1 THR 27 1.000 -13.407 -4.125 794 1HG2 THR 27 HMG THR 27 1.077 -11.165 -1.373 795 2HG2 THR 27 HMG THR 27 0.452 -12.835 -1.398 796 3HG2 THR 27 HMG THR 27 2.118 -12.498 -1.936 797 H LEU 28 HN LEU 28 1.166 -9.146 -4.215 798 HA LEU 28 HA LEU 28 1.585 -7.595 -1.926 799 1HB LEU 28 HBR LEU 28 2.634 -7.818 -4.394 800 2HB LEU 28 HBS LEU 28 1.696 -6.319 -4.617 801 HG LEU 28 HG LEU 28 3.025 -5.097 -3.177 802 1HD1 LEU 28 HMD LEU 28 3.011 -6.704 -1.285 803 2HD1 LEU 28 HMD LEU 28 4.266 -7.656 -2.118 804 3HD1 LEU 28 HMD LEU 28 4.613 -5.989 -1.595 805 1HD2 LEU 28 HMD LEU 28 4.223 -6.750 -5.170 806 2HD2 LEU 28 HMD LEU 28 4.697 -5.122 -4.624 807 3HD2 LEU 28 HMD LEU 28 5.383 -6.563 -3.831 808 H ALA 29 HN ALA 29 -0.495 -6.815 -4.736 809 HA ALA 29 HA ALA 29 -1.758 -4.628 -3.718 810 1HB ALA 29 HMB ALA 29 -2.794 -6.797 -5.544 811 2HB ALA 29 HMB ALA 29 -3.727 -5.326 -5.168 812 3HB ALA 29 HMB ALA 29 -2.137 -5.194 -5.963 813 H LYS 30 HN LYS 30 -2.467 -8.001 -2.978 814 HA LYS 30 HA LYS 30 -4.783 -7.461 -1.400 815 1HB LYS 30 HBR LYS 30 -3.618 -9.717 -2.394 816 2HB LYS 30 HBS LYS 30 -3.160 -9.822 -0.670 817 1HG LYS 30 HGR LYS 30 -5.720 -9.303 -0.278 818 2HG LYS 30 HGS LYS 30 -5.885 -9.922 -1.946 819 1HD LYS 30 HDS LYS 30 -4.200 -11.671 -0.404 820 2HD LYS 30 HDR LYS 30 -5.677 -11.360 0.468 821 1HE LYS 30 HES LYS 30 -6.142 -11.897 -2.365 822 2HE LYS 30 HER LYS 30 -5.352 -13.233 -1.482 823 1HZ LYS 30 HZB LYS 30 -7.119 -13.124 0.123 824 2HZ LYS 30 HZC LYS 30 -7.841 -11.894 -0.673 825 3HZ LYS 30 HZA LYS 30 -7.739 -13.368 -1.369 826 H ILE 31 HN ILE 31 -1.325 -7.607 -0.719 827 HA ILE 31 HA ILE 31 -1.498 -7.493 2.163 828 HB ILE 31 HB ILE 31 0.647 -6.890 0.088 829 1HG1 ILE 31 HG1 ILE 31 1.089 -8.909 2.198 830 2HG1 ILE 31 HG1 ILE 31 -0.318 -9.228 1.144 831 1HG2 ILE 31 HMG ILE 31 0.620 -5.881 2.783 832 2HG2 ILE 31 HMG ILE 31 1.924 -7.080 2.581 833 3HG2 ILE 31 HMG ILE 31 1.833 -5.670 1.493 834 1HD1 ILE 31 HMD ILE 31 1.193 -8.973 -0.832 835 2HD1 ILE 31 HMD ILE 31 2.569 -8.854 0.297 836 3HD1 ILE 31 HMD ILE 31 1.602 -10.350 0.226 837 H LEU 32 HN LEU 32 -0.321 -4.965 -0.066 838 HA LEU 32 HA LEU 32 -0.409 -2.989 1.792 839 1HB LEU 32 HBR LEU 32 -0.660 -2.795 -1.223 840 2HB LEU 32 HBS LEU 32 -0.223 -1.439 -0.145 841 HG LEU 32 HG LEU 32 1.625 -3.376 0.518 842 1HD1 LEU 32 HMD LEU 32 0.549 -4.168 -1.957 843 2HD1 LEU 32 HMD LEU 32 2.095 -3.367 -2.338 844 3HD1 LEU 32 HMD LEU 32 2.058 -4.733 -1.197 845 1HD2 LEU 32 HMD LEU 32 1.468 -0.773 -0.487 846 2HD2 LEU 32 HMD LEU 32 2.930 -1.616 0.085 847 3HD2 LEU 32 HMD LEU 32 2.507 -1.642 -1.646 848 H GLU 33 HN GLU 33 -3.035 -3.975 -0.345 849 HA GLU 33 HA GLU 33 -4.676 -1.680 0.166 850 1HB GLU 33 HBR GLU 33 -4.714 -3.212 -1.808 851 2HB GLU 33 HBS GLU 33 -5.247 -4.449 -0.808 852 1HG GLU 33 HGS GLU 33 -6.909 -2.009 -0.741 853 2HG GLU 33 HGR GLU 33 -7.056 -2.996 -2.221 854 H GLU 34 HN GLU 34 -4.489 -4.955 1.547 855 HA GLU 34 HA GLU 34 -6.569 -4.765 3.441 856 1HB GLU 34 HBR GLU 34 -3.969 -6.201 3.162 857 2HB GLU 34 HBS GLU 34 -4.613 -6.090 4.707 858 1HG GLU 34 HGS GLU 34 -5.310 -8.175 3.669 859 2HG GLU 34 HGR GLU 34 -6.727 -7.193 4.130 860 H MET 35 HN MET 35 -3.151 -3.729 3.616 861 HA MET 35 HA MET 35 -3.300 -2.543 6.164 862 1HB MET 35 HBS MET 35 -1.505 -1.966 3.793 863 2HB MET 35 HBR MET 35 -1.306 -1.220 5.405 864 1HG MET 35 HGS MET 35 -1.236 -3.592 6.357 865 2HG MET 35 HGR MET 35 -1.138 -4.164 4.673 866 1HE MET 35 HME MET 35 0.836 -5.262 4.871 867 2HE MET 35 HME MET 35 1.539 -4.329 3.527 868 3HE MET 35 HME MET 35 2.492 -4.618 5.003 869 H GLY 36 HN GLY 36 -3.830 -1.150 2.925 870 1HA GLY 36 HAR GLY 36 -4.045 1.514 3.698 871 2HA GLY 36 HAS GLY 36 -4.788 0.825 2.231 872 H ARG 37 HN ARG 37 -6.594 -0.965 3.389 873 HA ARG 37 HA ARG 37 -8.802 0.614 4.238 874 1HB ARG 37 HBR ARG 37 -8.406 -2.024 3.486 875 2HB ARG 37 HBS ARG 37 -8.827 -2.142 5.218 876 1HG ARG 37 HGS ARG 37 -10.535 -0.369 3.546 877 2HG ARG 37 HGR ARG 37 -10.655 -2.125 3.239 878 1HD ARG 37 HDS ARG 37 -11.185 -0.598 5.770 879 2HD ARG 37 HDR ARG 37 -12.277 -1.670 4.849 880 HE ARG 37 HE ARG 37 -10.645 -3.513 5.561 881 1HH1 ARG 37 HH1 ARG 37 -11.563 -0.733 7.526 882 2HH1 ARG 37 HH1 ARG 37 -11.072 -1.482 9.009 883 1HH2 ARG 37 HH2 ARG 37 -9.897 -4.409 7.504 884 2HH2 ARG 37 HH2 ARG 37 -10.131 -3.562 8.997 885 H ASP 38 HN ASP 38 -6.299 -1.191 5.990 886 HA ASP 38 HA ASP 38 -7.295 -0.834 8.549 887 1HB ASP 38 HBS ASP 38 -4.993 -1.912 7.407 888 2HB ASP 38 HBR ASP 38 -4.422 -0.705 8.594 889 H ILE 39 HN ILE 39 -5.100 1.328 6.754 890 HA ILE 39 HA ILE 39 -4.694 3.111 9.021 891 HB ILE 39 HB ILE 39 -4.227 3.782 6.086 892 1HG1 ILE 39 HG1 ILE 39 -2.185 2.369 7.829 893 2HG1 ILE 39 HG1 ILE 39 -3.308 1.488 6.756 894 1HG2 ILE 39 HMG ILE 39 -2.828 4.652 8.623 895 2HG2 ILE 39 HMG ILE 39 -2.349 5.104 6.965 896 3HG2 ILE 39 HMG ILE 39 -3.928 5.627 7.612 897 1HD1 ILE 39 HMD ILE 39 -1.784 3.701 5.508 898 2HD1 ILE 39 HMD ILE 39 -0.835 2.281 6.025 899 3HD1 ILE 39 HMD ILE 39 -2.191 2.082 4.882 900 H ALA 40 HN ALA 40 -7.078 2.580 6.589 901 HA ALA 40 HA ALA 40 -8.159 5.254 6.390 902 1HB ALA 40 HMB ALA 40 -8.830 2.541 5.481 903 2HB ALA 40 HMB ALA 40 -10.242 3.551 5.881 904 3HB ALA 40 HMB ALA 40 -9.049 4.120 4.685 905 H SER 41 HN SER 41 -9.698 2.356 7.811 906 HA SER 41 HA SER 41 -11.502 3.803 9.336 907 1HB SER 41 HBS SER 41 -11.307 1.233 8.736 908 2HB SER 41 HBR SER 41 -10.632 1.145 10.389 909 HG SER 41 HG SER 41 -13.190 1.349 9.453 910 H GLU 42 HN GLU 42 -8.181 3.081 10.016 911 HA GLU 42 HA GLU 42 -8.202 3.878 12.776 912 1HB GLU 42 HBR GLU 42 -6.349 3.170 10.667 913 2HB GLU 42 HBS GLU 42 -5.818 4.567 11.429 914 1HG GLU 42 HGS GLU 42 -4.921 2.443 12.415 915 2HG GLU 42 HGR GLU 42 -5.571 3.605 13.603 916 H ALA 43 HN ALA 43 -7.013 5.652 9.883 917 HA ALA 43 HA ALA 43 -6.954 8.185 11.033 918 1HB ALA 43 HMB ALA 43 -7.467 7.373 8.159 919 2HB ALA 43 HMB ALA 43 -7.071 9.024 8.703 920 3HB ALA 43 HMB ALA 43 -5.896 7.704 8.932 921 H ILE 44 HN ILE 44 -9.674 6.279 10.181 922 HA ILE 44 HA ILE 44 -11.452 8.562 9.831 923 HB ILE 44 HB ILE 44 -11.831 5.534 9.710 924 1HG1 ILE 44 HG1 ILE 44 -12.047 7.552 7.461 925 2HG1 ILE 44 HG1 ILE 44 -10.485 6.847 7.964 926 1HG2 ILE 44 HMG ILE 44 -13.869 7.673 9.734 927 2HG2 ILE 44 HMG ILE 44 -14.020 6.461 8.435 928 3HG2 ILE 44 HMG ILE 44 -13.996 5.941 10.142 929 1HD1 ILE 44 HMD ILE 44 -11.868 4.580 7.651 930 2HD1 ILE 44 HMD ILE 44 -12.777 5.611 6.514 931 3HD1 ILE 44 HMD ILE 44 -11.020 5.383 6.302 932 H LYS 45 HN LYS 45 -11.356 5.719 12.019 933 HA LYS 45 HA LYS 45 -13.060 6.785 14.047 934 1HB LYS 45 HBR LYS 45 -11.596 4.434 13.659 935 2HB LYS 45 HBS LYS 45 -10.855 5.202 15.093 936 1HG LYS 45 HGR LYS 45 -12.595 3.701 15.834 937 2HG LYS 45 HGS LYS 45 -13.140 5.381 16.104 938 1HD LYS 45 HDS LYS 45 -14.839 5.226 14.682 939 2HD LYS 45 HDR LYS 45 -13.899 4.359 13.499 940 1HE LYS 45 HES LYS 45 -14.501 2.311 14.245 941 2HE LYS 45 HER LYS 45 -14.637 2.864 15.938 942 1HZ LYS 45 HZB LYS 45 -16.537 3.944 14.057 943 2HZ LYS 45 HZC LYS 45 -16.716 2.365 14.438 944 3HZ LYS 45 HZA LYS 45 -16.744 3.497 15.615 945 H LEU 46 HN LEU 46 -9.901 7.609 12.975 946 HA LEU 46 HA LEU 46 -9.104 9.041 15.377 947 1HB LEU 46 HBR LEU 46 -8.170 8.754 12.540 948 2HB LEU 46 HBS LEU 46 -7.566 10.111 13.533 949 HG LEU 46 HG LEU 46 -7.358 7.244 14.448 950 1HD1 LEU 46 HMD LEU 46 -5.833 8.669 12.355 951 2HD1 LEU 46 HMD LEU 46 -4.844 7.906 13.625 952 3HD1 LEU 46 HMD LEU 46 -5.992 6.924 12.679 953 1HD2 LEU 46 HMD LEU 46 -6.904 9.735 15.612 954 2HD2 LEU 46 HMD LEU 46 -6.300 8.163 16.191 955 3HD2 LEU 46 HMD LEU 46 -5.282 9.172 15.133 956 H ALA 47 HN ALA 47 -10.258 10.031 12.127 957 HA ALA 47 HA ALA 47 -10.581 12.743 12.854 958 1HB ALA 47 HMB ALA 47 -11.610 11.065 10.566 959 2HB ALA 47 HMB ALA 47 -11.967 12.805 10.716 960 3HB ALA 47 HMB ALA 47 -10.279 12.249 10.582 961 H ARG 48 HN ARG 48 -12.600 9.979 13.323 962 HA ARG 48 HA ARG 48 -14.983 11.568 13.891 963 1HB ARG 48 HBR ARG 48 -14.763 9.104 12.953 964 2HB ARG 48 HBS ARG 48 -14.714 8.692 14.691 965 1HG ARG 48 HGS ARG 48 -16.976 8.483 14.037 966 2HG ARG 48 HGR ARG 48 -16.868 10.028 14.927 967 1HD ARG 48 HDS ARG 48 -17.261 11.274 13.096 968 2HD ARG 48 HDR ARG 48 -16.434 10.130 12.002 969 HE ARG 48 HE ARG 48 -19.253 10.160 12.706 970 1HH1 ARG 48 HH1 ARG 48 -16.610 7.999 11.822 971 2HH1 ARG 48 HH1 ARG 48 -17.641 6.923 10.940 972 1HH2 ARG 48 HH2 ARG 48 -20.546 8.801 11.435 973 2HH2 ARG 48 HH2 ARG 48 -19.869 7.374 10.721 974 H HIS 49 HN HIS 49 -12.440 9.851 15.660 975 HA HIS 49 HA HIS 49 -13.422 10.242 18.291 976 1HB HIS 49 HBS HIS 49 -11.433 8.805 17.722 977 2HB HIS 49 HBR HIS 49 -10.491 10.302 17.463 978 HD1 HIS 49 HD1 HIS 49 -12.772 9.043 20.329 979 HD2 HIS 49 HD2 HIS 49 -9.085 10.863 19.665 980 HE1 HIS 49 HE1 HIS 49 -11.690 9.288 22.576 981 HE2 HIS 49 HE2 HIS 49 -9.449 10.369 22.178 982 H ALA 50 HN ALA 50 -11.610 12.329 16.075 983 HA ALA 50 HA ALA 50 -11.309 14.586 17.759 984 1HB ALA 50 HMB ALA 50 -10.875 13.931 15.061 985 2HB ALA 50 HMB ALA 50 -11.980 15.330 15.056 986 3HB ALA 50 HMB ALA 50 -10.422 15.427 15.916 987 H GLY 51 HN GLY 51 -13.989 13.548 15.639 988 1HA GLY 51 HAR GLY 51 -16.320 14.034 16.081 989 2HA GLY 51 HAS GLY 51 -15.810 15.454 17.034 990 H ARG 52 HN ARG 52 -14.278 14.581 13.994 991 HA ARG 52 HA ARG 52 -15.508 16.987 12.735 992 1HB ARG 52 HBR ARG 52 -12.892 16.897 13.374 993 2HB ARG 52 HBS ARG 52 -12.839 16.083 11.783 994 1HG ARG 52 HGS ARG 52 -13.415 17.978 10.636 995 2HG ARG 52 HGR ARG 52 -14.356 18.653 11.997 996 1HD ARG 52 HDS ARG 52 -12.448 19.391 13.103 997 2HD ARG 52 HDR ARG 52 -11.371 18.353 12.126 998 HE ARG 52 HE ARG 52 -11.403 19.947 10.427 999 1HH1 ARG 52 HH1 ARG 52 -14.005 20.672 12.692 1000 2HH1 ARG 52 HH1 ARG 52 -14.185 22.302 12.134 1001 1HH2 ARG 52 HH2 ARG 52 -11.579 22.122 9.812 1002 2HH2 ARG 52 HH2 ARG 52 -12.812 23.122 10.504 1003 H LYS 53 HN LYS 53 -14.797 16.750 10.222 1004 HA LYS 53 HA LYS 53 -16.117 14.200 9.434 1005 1HB LYS 53 HBR LYS 53 -16.248 16.999 8.281 1006 2HB LYS 53 HBS LYS 53 -16.851 15.549 7.428 1007 1HG LYS 53 HGR LYS 53 -18.355 15.113 9.400 1008 2HG LYS 53 HGS LYS 53 -17.848 16.693 10.063 1009 1HD LYS 53 HDS LYS 53 -18.662 17.029 7.339 1010 2HD LYS 53 HDR LYS 53 -19.879 16.104 8.178 1011 1HE LYS 53 HES LYS 53 -19.056 18.256 9.873 1012 2HE LYS 53 HER LYS 53 -19.463 18.875 8.248 1013 1HZ LYS 53 HZB LYS 53 -21.192 17.115 9.846 1014 2HZ LYS 53 HZC LYS 53 -21.367 18.735 9.732 1015 3HZ LYS 53 HZA LYS 53 -21.564 17.797 8.410 1016 H THR 54 HN THR 54 -13.745 16.667 8.414 1017 HA THR 54 HA THR 54 -12.998 15.086 6.086 1018 HB THR 54 HB THR 54 -11.744 17.704 7.082 1019 HG1 THR 54 HG1 THR 54 -13.193 18.603 6.485 1020 1HG2 THR 54 HMG THR 54 -11.683 16.227 4.467 1021 2HG2 THR 54 HMG THR 54 -11.518 18.001 4.509 1022 3HG2 THR 54 HMG THR 54 -10.350 16.976 5.382 1023 H ILE 55 HN ILE 55 -11.584 13.530 6.124 1024 HA ILE 55 HA ILE 55 -9.494 13.339 8.184 1025 HB ILE 55 HB ILE 55 -10.189 11.611 5.761 1026 1HG1 ILE 55 HG1 ILE 55 -10.391 10.635 8.582 1027 2HG1 ILE 55 HG1 ILE 55 -11.590 11.841 8.038 1028 1HG2 ILE 55 HMG ILE 55 -7.699 11.731 6.766 1029 2HG2 ILE 55 HMG ILE 55 -8.415 10.522 7.865 1030 3HG2 ILE 55 HMG ILE 55 -8.431 10.247 6.102 1031 1HD1 ILE 55 HMD ILE 55 -11.030 9.217 6.627 1032 2HD1 ILE 55 HMD ILE 55 -12.347 9.482 7.801 1033 3HD1 ILE 55 HMD ILE 55 -12.327 10.387 6.264 1034 H LYS 56 HN LYS 56 -7.331 13.581 7.813 1035 HA LYS 56 HA LYS 56 -6.683 15.262 5.434 1036 1HB LYS 56 HBR LYS 56 -5.590 15.634 8.233 1037 2HB LYS 56 HBS LYS 56 -5.427 16.717 6.821 1038 1HG LYS 56 HGR LYS 56 -8.013 16.897 6.935 1039 2HG LYS 56 HGS LYS 56 -7.837 16.229 8.583 1040 1HD LYS 56 HDS LYS 56 -5.994 18.421 8.066 1041 2HD LYS 56 HDR LYS 56 -7.652 18.882 7.794 1042 1HE LYS 56 HES LYS 56 -7.663 19.315 9.984 1043 2HE LYS 56 HER LYS 56 -7.946 17.555 10.112 1044 1HZ LYS 56 HZB LYS 56 -5.481 17.367 10.217 1045 2HZ LYS 56 HZC LYS 56 -5.404 18.987 10.409 1046 3HZ LYS 56 HZA LYS 56 -6.176 18.070 11.517 1047 H ALA 57 HN ALA 57 -4.181 15.662 5.473 1048 HA ALA 57 HA ALA 57 -2.783 13.170 5.105 1049 1HB ALA 57 HMB ALA 57 -1.905 16.056 5.324 1050 2HB ALA 57 HMB ALA 57 -0.779 14.701 5.061 1051 3HB ALA 57 HMB ALA 57 -2.052 15.047 3.863 1052 H GLU 58 HN GLU 58 -3.559 15.172 7.810 1053 HA GLU 58 HA GLU 58 -1.533 14.164 9.646 1054 1HB GLU 58 HBR GLU 58 -3.068 16.263 9.718 1055 2HB GLU 58 HBS GLU 58 -4.284 15.194 10.160 1056 1HG GLU 58 HGS GLU 58 -3.249 14.466 12.156 1057 2HG GLU 58 HGR GLU 58 -1.736 15.353 11.824 1058 H ASP 59 HN ASP 59 -4.938 13.419 8.835 1059 HA ASP 59 HA ASP 59 -5.297 11.592 10.934 1060 1HB ASP 59 HBS ASP 59 -6.838 11.941 8.367 1061 2HB ASP 59 HBR ASP 59 -7.338 10.886 9.720 1062 H ILE 60 HN ILE 60 -4.174 11.128 7.632 1063 HA ILE 60 HA ILE 60 -3.806 8.253 7.872 1064 HB ILE 60 HB ILE 60 -2.949 10.439 5.965 1065 1HG1 ILE 60 HG1 ILE 60 -4.062 9.032 4.341 1066 2HG1 ILE 60 HG1 ILE 60 -4.239 7.722 5.545 1067 1HG2 ILE 60 HMG ILE 60 -1.628 7.729 6.102 1068 2HG2 ILE 60 HMG ILE 60 -1.732 8.694 4.606 1069 3HG2 ILE 60 HMG ILE 60 -0.869 9.341 6.026 1070 1HD1 ILE 60 HMD ILE 60 -5.539 10.459 5.728 1071 2HD1 ILE 60 HMD ILE 60 -6.344 8.965 5.181 1072 3HD1 ILE 60 HMD ILE 60 -5.756 9.097 6.859 1073 H GLU 61 HN GLU 61 -1.953 11.215 8.547 1074 HA GLU 61 HA GLU 61 0.514 10.060 9.010 1075 1HB GLU 61 HBR GLU 61 -0.796 12.550 9.347 1076 2HB GLU 61 HBS GLU 61 -0.136 12.187 10.846 1077 1HG GLU 61 HGS GLU 61 2.060 11.605 9.614 1078 2HG GLU 61 HGR GLU 61 1.435 12.634 8.298 1079 H LEU 62 HN LEU 62 -2.097 10.667 11.378 1080 HA LEU 62 HA LEU 62 -0.674 9.386 13.498 1081 1HB LEU 62 HBR LEU 62 -3.455 10.469 13.067 1082 2HB LEU 62 HBS LEU 62 -3.009 9.630 14.581 1083 HG LEU 62 HG LEU 62 -1.799 12.181 13.483 1084 1HD1 LEU 62 HMD LEU 62 -3.625 11.530 15.810 1085 2HD1 LEU 62 HMD LEU 62 -2.699 13.049 15.691 1086 3HD1 LEU 62 HMD LEU 62 -3.918 12.650 14.453 1087 1HD2 LEU 62 HMD LEU 62 -0.925 10.188 15.475 1088 2HD2 LEU 62 HMD LEU 62 0.007 11.431 14.601 1089 3HD2 LEU 62 HMD LEU 62 -0.924 11.872 16.057 1090 H ALA 63 HN ALA 63 -3.418 8.392 11.444 1091 HA ALA 63 HA ALA 63 -3.893 5.885 12.505 1092 1HB ALA 63 HMB ALA 63 -4.029 6.890 9.658 1093 2HB ALA 63 HMB ALA 63 -4.621 5.287 10.163 1094 3HB ALA 63 HMB ALA 63 -5.343 6.763 10.854 1095 H VAL 64 HN VAL 64 -1.659 6.679 9.817 1096 HA VAL 64 HA VAL 64 -0.839 4.010 9.556 1097 HB VAL 64 HB VAL 64 -0.775 6.285 8.093 1098 1HG1 VAL 64 HMG VAL 64 2.136 5.707 8.709 1099 2HG1 VAL 64 HMG VAL 64 1.564 6.601 7.280 1100 3HG1 VAL 64 HMG VAL 64 1.243 7.233 8.912 1101 1HG2 VAL 64 HMG VAL 64 -0.632 3.649 7.613 1102 2HG2 VAL 64 HMG VAL 64 -0.454 4.909 6.368 1103 3HG2 VAL 64 HMG VAL 64 0.991 4.137 7.067 1104 H ARG 65 HN ARG 65 1.071 6.780 10.794 1105 HA ARG 65 HA ARG 65 3.152 5.381 11.876 1106 1HB ARG 65 HBR ARG 65 3.063 7.816 11.795 1107 2HB ARG 65 HBS ARG 65 1.831 7.829 13.089 1108 1HG ARG 65 HGS ARG 65 3.720 8.295 14.304 1109 2HG ARG 65 HGR ARG 65 3.689 6.514 14.426 1110 1HD ARG 65 HDS ARG 65 5.907 7.189 13.916 1111 2HD ARG 65 HDR ARG 65 5.205 6.423 12.464 1112 HE ARG 65 HE ARG 65 4.713 8.977 11.909 1113 1HH1 ARG 65 HH1 ARG 65 7.579 7.743 13.550 1114 2HH1 ARG 65 HH1 ARG 65 8.641 8.870 12.774 1115 1HH2 ARG 65 HH2 ARG 65 6.151 10.347 10.817 1116 2HH2 ARG 65 HH2 ARG 65 7.834 10.346 11.229 1117 H ARG 66 HN ARG 66 -0.101 5.611 13.132 1118 HA ARG 66 HA ARG 66 0.431 4.810 15.850 1119 1HB ARG 66 HBR ARG 66 -1.673 5.875 15.231 1120 2HB ARG 66 HBS ARG 66 -2.067 4.506 14.151 1121 1HG ARG 66 HGS ARG 66 -3.219 3.703 15.897 1122 2HG ARG 66 HGR ARG 66 -1.623 3.243 16.554 1123 1HD ARG 66 HDS ARG 66 -3.026 4.454 18.166 1124 2HD ARG 66 HDR ARG 66 -1.493 5.291 17.796 1125 HE ARG 66 HE ARG 66 -3.105 6.543 16.093 1126 1HH1 ARG 66 HH1 ARG 66 -3.980 5.443 19.328 1127 2HH1 ARG 66 HH1 ARG 66 -4.968 6.829 19.650 1128 1HH2 ARG 66 HH2 ARG 66 -4.293 8.405 16.604 1129 2HH2 ARG 66 HH2 ARG 66 -5.151 8.502 18.106 1130 H PHE 67 HN PHE 67 -0.390 3.105 12.829 1131 HA PHE 67 HA PHE 67 -0.194 0.450 13.839 1132 1HB PHE 67 HBR PHE 67 0.361 1.567 11.062 1133 2HB PHE 67 HBS PHE 67 0.502 -0.166 11.475 1134 HD1 PHE 67 HD2 PHE 67 -1.912 -0.393 13.345 1135 HD2 PHE 67 HD1 PHE 67 -1.350 1.495 9.566 1136 HE1 PHE 67 HE2 PHE 67 -4.344 -0.535 12.918 1137 HE2 PHE 67 HE1 PHE 67 -3.759 1.370 9.122 1138 HZ PHE 67 HZ PHE 67 -5.245 0.262 10.750 1139 H LYS 68 HN LYS 68 2.249 2.278 11.955 1140 HA LYS 68 HA LYS 68 4.465 1.796 13.483 1141 1HB LYS 68 HBR LYS 68 5.511 -0.123 12.050 1142 2HB LYS 68 HBS LYS 68 4.493 -0.496 13.470 1143 1HG LYS 68 HGR LYS 68 2.557 -0.592 11.685 1144 2HG LYS 68 HGS LYS 68 3.904 -0.844 10.537 1145 1HD LYS 68 HDS LYS 68 3.291 -2.989 11.067 1146 2HD LYS 68 HDR LYS 68 4.696 -2.681 12.051 1147 1HE LYS 68 HES LYS 68 3.311 -2.253 14.004 1148 2HE LYS 68 HER LYS 68 1.849 -2.507 13.008 1149 1HZ LYS 68 HZC LYS 68 3.923 -4.556 13.316 1150 2HZ LYS 68 HZA LYS 68 2.647 -4.445 14.329 1151 3HZ LYS 68 HZB LYS 68 2.406 -4.739 12.740 1152 H LYS 69 HN LYS 69 3.693 0.997 10.070 1153 HA LYS 69 HA LYS 69 5.861 2.875 9.255 1154 1HB LYS 69 HBR LYS 69 6.057 1.389 7.248 1155 2HB LYS 69 HBS LYS 69 6.551 0.650 8.799 1156 1HG LYS 69 HGR LYS 69 3.984 -0.170 8.730 1157 2HG LYS 69 HGS LYS 69 4.286 -0.030 6.974 1158 1HD LYS 69 HDS LYS 69 6.410 -1.395 8.475 1159 2HD LYS 69 HDR LYS 69 4.857 -2.181 8.561 1160 1HE LYS 69 HES LYS 69 5.696 -1.290 5.868 1161 2HE LYS 69 HER LYS 69 6.610 -2.632 6.614 1162 1HZ LYS 69 HZC LYS 69 3.686 -2.559 6.323 1163 2HZ LYS 69 HZA LYS 69 4.699 -3.368 5.330 1164 3HZ LYS 69 HZB LYS 69 4.572 -3.804 6.899 No H/Q in entry = 1164 Start of MODEL 2 Raw file had 1198 H/Q atoms Start of MODEL 2 1 1H MET 1 HN MET 1 -3.110 7.632 -11.440 2 2H MET 1 HNC MET 1 -2.502 7.506 -12.950 3 3H MET 1 HNB MET 1 -2.620 6.180 -12.004 4 HA MET 1 HA MET 1 -0.433 6.613 -11.868 5 1HB MET 1 HBS MET 1 0.528 8.805 -11.677 6 2HB MET 1 HBR MET 1 -0.537 8.725 -13.099 7 1HG MET 1 HGS MET 1 -1.599 9.744 -10.434 8 2HG MET 1 HGR MET 1 -0.609 10.803 -11.462 9 1HE MET 1 HME MET 1 -1.689 12.370 -12.186 10 2HE MET 1 HME MET 1 -2.617 12.311 -13.707 11 3HE MET 1 HME MET 1 -3.466 12.488 -12.151 12 H GLU 2 HN GLU 2 0.689 6.377 -10.015 13 HA GLU 2 HA GLU 2 1.077 6.076 -7.777 14 1HB GLU 2 HBS GLU 2 1.020 8.022 -6.624 15 2HB GLU 2 HBR GLU 2 1.369 8.463 -8.204 16 1HG GLU 2 HGS GLU 2 -0.717 9.542 -8.493 17 2HG GLU 2 HGR GLU 2 -1.531 8.600 -7.215 18 H LEU 3 HN LEU 3 -1.023 4.549 -8.434 19 HA LEU 3 HA LEU 3 -2.909 3.486 -7.674 20 1HB LEU 3 HBR LEU 3 -2.416 4.740 -4.992 21 2HB LEU 3 HBS LEU 3 -2.883 3.067 -5.410 22 HG LEU 3 HG LEU 3 -0.130 4.277 -5.784 23 1HD1 LEU 3 HMD LEU 3 -0.784 3.946 -3.409 24 2HD1 LEU 3 HMD LEU 3 -1.126 2.236 -3.770 25 3HD1 LEU 3 HMD LEU 3 0.534 2.865 -3.927 26 1HD2 LEU 3 HMD LEU 3 -0.941 2.470 -7.371 27 2HD2 LEU 3 HMD LEU 3 0.533 2.092 -6.443 28 3HD2 LEU 3 HMD LEU 3 -1.031 1.391 -5.956 29 HA PRO 4 HA PRO 4 -5.438 7.175 -8.468 30 1HB PRO 4 HBR PRO 4 -7.312 5.653 -9.685 31 2HB PRO 4 HBS PRO 4 -6.186 6.575 -10.444 32 1HG PRO 4 HGS PRO 4 -6.236 3.805 -10.144 33 2HG PRO 4 HGR PRO 4 -5.378 4.715 -11.249 34 1HD PRO 4 HDS PRO 4 -4.306 3.508 -9.122 35 2HD PRO 4 HDR PRO 4 -3.591 4.738 -9.966 36 H ILE 5 HN ILE 5 -7.119 8.102 -7.493 37 HA ILE 5 HA ILE 5 -7.694 6.721 -4.989 38 HB ILE 5 HB ILE 5 -8.496 8.929 -4.235 39 1HG1 ILE 5 HG1 ILE 5 -7.896 9.911 -7.053 40 2HG1 ILE 5 HG1 ILE 5 -9.528 9.551 -6.421 41 1HG2 ILE 5 HMG ILE 5 -6.040 8.366 -4.270 42 2HG2 ILE 5 HMG ILE 5 -5.917 9.362 -5.743 43 3HG2 ILE 5 HMG ILE 5 -6.442 10.102 -4.209 44 1HD1 ILE 5 HMD ILE 5 -8.357 11.314 -4.564 45 2HD1 ILE 5 HMD ILE 5 -7.951 11.955 -6.179 46 3HD1 ILE 5 HMD ILE 5 -9.654 11.662 -5.738 47 H ALA 6 HN ALA 6 -9.095 6.254 -7.754 48 HA ALA 6 HA ALA 6 -11.906 6.386 -6.919 49 1HB ALA 6 HMB ALA 6 -10.454 5.869 -9.344 50 2HB ALA 6 HMB ALA 6 -11.517 4.487 -8.978 51 3HB ALA 6 HMB ALA 6 -12.201 6.127 -9.105 52 HA PRO 7 HA PRO 7 -10.776 1.741 -6.141 53 1HB PRO 7 HBR PRO 7 -8.124 1.263 -6.165 54 2HB PRO 7 HBS PRO 7 -9.191 0.763 -7.308 55 1HG PRO 7 HGS PRO 7 -7.322 2.822 -7.470 56 2HG PRO 7 HGR PRO 7 -8.097 2.025 -8.713 57 1HD PRO 7 HDS PRO 7 -8.666 4.512 -7.889 58 2HD PRO 7 HDR PRO 7 -9.640 3.581 -8.849 59 H ILE 8 HN ILE 8 -8.018 3.603 -5.104 60 HA ILE 8 HA ILE 8 -8.049 2.681 -2.474 61 HB ILE 8 HB ILE 8 -7.027 5.326 -3.616 62 1HG1 ILE 8 HG1 ILE 8 -5.776 2.595 -3.183 63 2HG1 ILE 8 HG1 ILE 8 -6.029 3.466 -4.722 64 1HG2 ILE 8 HMG ILE 8 -7.314 5.442 -1.159 65 2HG2 ILE 8 HMG ILE 8 -6.229 4.036 -0.999 66 3HG2 ILE 8 HMG ILE 8 -5.615 5.562 -1.688 67 1HD1 ILE 8 HMD ILE 8 -4.262 4.653 -2.600 68 2HD1 ILE 8 HMD ILE 8 -3.650 3.352 -3.655 69 3HD1 ILE 8 HMD ILE 8 -4.232 4.879 -4.370 70 H GLY 9 HN GLY 9 -9.486 5.679 -3.796 71 1HA GLY 9 HAR GLY 9 -10.522 6.704 -1.448 72 2HA GLY 9 HAS GLY 9 -11.239 6.990 -3.057 73 H ARG 10 HN ARG 10 -11.737 4.076 -3.432 74 HA ARG 10 HA ARG 10 -14.268 3.919 -2.040 75 1HB ARG 10 HBS ARG 10 -12.863 2.180 -4.075 76 2HB ARG 10 HBR ARG 10 -14.385 1.679 -3.281 77 1HG ARG 10 HGS ARG 10 -14.438 4.392 -4.443 78 2HG ARG 10 HGR ARG 10 -14.209 3.076 -5.630 79 1HD ARG 10 HDS ARG 10 -16.232 2.127 -5.179 80 2HD ARG 10 HDR ARG 10 -16.297 2.789 -3.521 81 HE ARG 10 HE ARG 10 -17.558 4.478 -4.420 82 1HH1 ARG 10 HH1 ARG 10 -15.454 3.260 -6.974 83 2HH1 ARG 10 HH1 ARG 10 -15.895 4.514 -8.085 84 1HH2 ARG 10 HH2 ARG 10 -18.011 6.174 -5.854 85 2HH2 ARG 10 HH2 ARG 10 -17.343 6.162 -7.452 86 H ILE 11 HN ILE 11 -11.086 2.513 -1.698 87 HA ILE 11 HA ILE 11 -11.747 0.426 0.171 88 HB ILE 11 HB ILE 11 -9.191 2.060 -0.218 89 1HG1 ILE 11 HG1 ILE 11 -9.743 -0.760 -1.189 90 2HG1 ILE 11 HG1 ILE 11 -10.166 0.683 -2.155 91 1HG2 ILE 11 HMG ILE 11 -9.625 0.717 2.010 92 2HG2 ILE 11 HMG ILE 11 -9.164 -0.669 0.987 93 3HG2 ILE 11 HMG ILE 11 -8.037 0.697 1.197 94 1HD1 ILE 11 HMD ILE 11 -7.568 1.214 -1.550 95 2HD1 ILE 11 HMD ILE 11 -7.540 -0.569 -1.633 96 3HD1 ILE 11 HMD ILE 11 -8.114 0.381 -3.029 97 H ILE 12 HN ILE 12 -10.573 3.788 0.574 98 HA ILE 12 HA ILE 12 -10.527 3.640 3.385 99 HB ILE 12 HB ILE 12 -10.761 6.210 1.754 100 1HG1 ILE 12 HG1 ILE 12 -9.176 4.924 0.557 101 2HG1 ILE 12 HG1 ILE 12 -8.245 6.078 1.553 102 1HG2 ILE 12 HMG ILE 12 -10.119 5.605 4.509 103 2HG2 ILE 12 HMG ILE 12 -8.788 6.481 3.707 104 3HG2 ILE 12 HMG ILE 12 -10.433 7.173 3.718 105 1HD1 ILE 12 HMD ILE 12 -8.753 3.243 2.459 106 2HD1 ILE 12 HMD ILE 12 -7.388 3.669 1.392 107 3HD1 ILE 12 HMD ILE 12 -7.511 4.395 3.015 108 H LYS 13 HN LYS 13 -12.980 4.901 1.145 109 HA LYS 13 HA LYS 13 -14.801 5.805 3.128 110 1HB LYS 13 HBS LYS 13 -14.731 6.025 0.457 111 2HB LYS 13 HBR LYS 13 -15.877 4.662 0.595 112 1HG LYS 13 HGR LYS 13 -17.542 5.978 1.375 113 2HG LYS 13 HGS LYS 13 -16.439 6.926 2.414 114 1HD LYS 13 HDS LYS 13 -16.649 8.604 1.020 115 2HD LYS 13 HDR LYS 13 -15.693 7.680 -0.106 116 1HE LYS 13 HES LYS 13 -17.407 7.945 -1.500 117 2HE LYS 13 HER LYS 13 -18.136 6.610 -0.561 118 1HZ LYS 13 HZC LYS 13 -18.738 8.793 0.871 119 2HZ LYS 13 HZA LYS 13 -18.863 9.358 -0.657 120 3HZ LYS 13 HZB LYS 13 -19.740 8.062 -0.192 121 H ASP 14 HN ASP 14 -14.438 2.677 1.453 122 HA ASP 14 HA ASP 14 -16.510 1.349 2.584 123 1HB ASP 14 HBS ASP 14 -14.999 0.523 0.801 124 2HB ASP 14 HBR ASP 14 -13.820 0.092 2.073 125 H ALA 15 HN ALA 15 -13.331 1.899 4.021 126 HA ALA 15 HA ALA 15 -13.717 0.694 6.520 127 1HB ALA 15 HMB ALA 15 -11.908 2.513 5.315 128 2HB ALA 15 HMB ALA 15 -12.441 3.231 6.858 129 3HB ALA 15 HMB ALA 15 -11.726 1.598 6.834 130 H GLY 16 HN GLY 16 -14.707 3.921 5.369 131 1HA GLY 16 HAR GLY 16 -16.941 4.572 6.260 132 2HA GLY 16 HAS GLY 16 -16.271 4.302 7.891 133 H ALA 17 HN ALA 17 -14.052 5.580 5.599 134 HA ALA 17 HA ALA 17 -13.681 8.075 6.768 135 1HB ALA 17 HMB ALA 17 -12.504 6.673 4.765 136 2HB ALA 17 HMB ALA 17 -13.292 7.979 3.844 137 3HB ALA 17 HMB ALA 17 -12.154 8.376 5.156 138 H GLU 18 HN GLU 18 -14.273 10.175 6.212 139 HA GLU 18 HA GLU 18 -17.030 10.316 5.071 140 1HB GLU 18 HBS GLU 18 -16.169 10.523 7.583 141 2HB GLU 18 HBR GLU 18 -15.957 12.138 7.183 142 1HG GLU 18 HGS GLU 18 -18.335 12.346 6.593 143 2HG GLU 18 HGR GLU 18 -18.602 10.593 6.785 144 H ARG 19 HN ARG 19 -14.497 12.632 6.116 145 HA ARG 19 HA ARG 19 -14.935 14.117 3.572 146 1HB ARG 19 HBR ARG 19 -15.799 15.014 6.054 147 2HB ARG 19 HBS ARG 19 -14.217 15.817 5.838 148 1HG ARG 19 HGS ARG 19 -14.966 16.738 3.695 149 2HG ARG 19 HGR ARG 19 -16.541 15.917 3.886 150 1HD ARG 19 HDS ARG 19 -16.836 17.176 6.019 151 2HD ARG 19 HDR ARG 19 -15.368 18.103 5.599 152 HE ARG 19 HE ARG 19 -17.427 18.084 3.534 153 1HH1 ARG 19 HH1 ARG 19 -15.904 19.807 6.207 154 2HH1 ARG 19 HH1 ARG 19 -16.735 21.287 5.869 155 1HH2 ARG 19 HH2 ARG 19 -18.591 20.000 3.203 156 2HH2 ARG 19 HH2 ARG 19 -18.254 21.399 4.168 157 H VAL 20 HN VAL 20 -13.110 13.763 2.527 158 HA VAL 20 HA VAL 20 -10.567 13.804 4.061 159 HB VAL 20 HB VAL 20 -11.160 12.311 1.501 160 1HG1 VAL 20 HMG VAL 20 -8.786 12.581 3.242 161 2HG1 VAL 20 HMG VAL 20 -9.174 10.928 2.709 162 3HG1 VAL 20 HMG VAL 20 -8.913 12.213 1.506 163 1HG2 VAL 20 HMG VAL 20 -12.168 11.741 4.077 164 2HG2 VAL 20 HMG VAL 20 -12.238 10.735 2.610 165 3HG2 VAL 20 HMG VAL 20 -10.880 10.558 3.748 166 H SER 21 HN SER 21 -8.720 14.673 3.132 167 HA SER 21 HA SER 21 -9.172 16.721 1.046 168 1HB SER 21 HBS SER 21 -7.924 17.587 2.834 169 2HB SER 21 HBR SER 21 -6.863 16.150 2.911 170 HG SER 21 HG SER 21 -5.798 17.917 2.008 171 H ASP 22 HN ASP 22 -8.046 16.736 -0.877 172 HA ASP 22 HA ASP 22 -7.432 14.217 -2.085 173 1HB ASP 22 HBS ASP 22 -8.232 16.008 -3.436 174 2HB ASP 22 HBR ASP 22 -6.844 17.037 -2.980 175 H ASP 23 HN ASP 23 -5.696 16.367 -0.053 176 HA ASP 23 HA ASP 23 -3.046 15.476 -0.624 177 1HB ASP 23 HBR ASP 23 -4.374 16.825 1.677 178 2HB ASP 23 HBS ASP 23 -2.764 16.082 1.905 179 H ALA 24 HN ALA 24 -5.366 14.422 1.893 180 HA ALA 24 HA ALA 24 -3.825 12.365 2.881 181 1HB ALA 24 HMB ALA 24 -6.355 13.393 3.341 182 2HB ALA 24 HMB ALA 24 -6.662 11.692 2.908 183 3HB ALA 24 HMB ALA 24 -5.554 12.084 4.247 184 H ARG 25 HN ARG 25 -6.286 12.180 0.300 185 HA ARG 25 HA ARG 25 -6.242 9.432 -0.080 186 1HB ARG 25 HBS ARG 25 -6.783 11.699 -2.009 187 2HB ARG 25 HBR ARG 25 -6.925 9.979 -2.478 188 1HG ARG 25 HGS ARG 25 -8.404 11.067 -0.084 189 2HG ARG 25 HGR ARG 25 -9.051 11.265 -1.738 190 1HD ARG 25 HDS ARG 25 -9.770 9.184 -1.768 191 2HD ARG 25 HDR ARG 25 -8.151 8.569 -1.333 192 HE ARG 25 HE ARG 25 -8.796 8.502 0.922 193 1HH1 ARG 25 HH1 ARG 25 -11.419 9.589 -1.167 194 2HH1 ARG 25 HH1 ARG 25 -12.592 9.558 0.107 195 1HH2 ARG 25 HH2 ARG 25 -10.328 8.599 2.590 196 2HH2 ARG 25 HH2 ARG 25 -11.975 8.994 2.231 197 H ILE 26 HN ILE 26 -4.332 11.907 -1.828 198 HA ILE 26 HA ILE 26 -2.754 10.016 -3.251 199 HB ILE 26 HB ILE 26 -2.214 12.950 -2.578 200 1HG1 ILE 26 HG1 ILE 26 -4.309 12.768 -3.688 201 2HG1 ILE 26 HG1 ILE 26 -3.120 13.339 -4.894 202 1HG2 ILE 26 HMG ILE 26 -0.728 10.991 -4.224 203 2HG2 ILE 26 HMG ILE 26 -0.992 12.598 -4.951 204 3HG2 ILE 26 HMG ILE 26 -0.169 12.456 -3.375 205 1HD1 ILE 26 HMD ILE 26 -3.061 10.584 -5.185 206 2HD1 ILE 26 HMD ILE 26 -4.782 10.937 -4.877 207 3HD1 ILE 26 HMD ILE 26 -3.934 11.742 -6.224 208 H THR 27 HN THR 27 -2.352 11.662 -0.146 209 HA THR 27 HA THR 27 0.258 10.859 0.455 210 HB THR 27 HB THR 27 -2.139 11.255 2.332 211 HG1 THR 27 HG1 THR 27 0.056 12.686 1.610 212 1HG2 THR 27 HMG THR 27 0.344 10.141 3.019 213 2HG2 THR 27 HMG THR 27 0.404 11.838 3.563 214 3HG2 THR 27 HMG THR 27 -0.917 10.772 4.108 215 H LEU 28 HN LEU 28 -2.825 9.170 1.102 216 HA LEU 28 HA LEU 28 -1.481 6.939 2.283 217 1HB LEU 28 HBS LEU 28 -3.725 7.919 2.834 218 2HB LEU 28 HBR LEU 28 -4.349 7.205 1.324 219 HG LEU 28 HG LEU 28 -4.275 5.039 2.160 220 1HD1 LEU 28 HMD LEU 28 -2.346 6.134 4.205 221 2HD1 LEU 28 HMD LEU 28 -3.259 4.634 4.503 222 3HD1 LEU 28 HMD LEU 28 -2.158 4.744 3.106 223 1HD2 LEU 28 HMD LEU 28 -5.288 7.198 3.859 224 2HD2 LEU 28 HMD LEU 28 -6.082 5.705 3.296 225 3HD2 LEU 28 HMD LEU 28 -5.035 5.668 4.739 226 H ALA 29 HN ALA 29 -2.240 7.784 -0.950 227 HA ALA 29 HA ALA 29 -1.674 5.102 -2.008 228 1HB ALA 29 HMB ALA 29 -2.584 7.649 -3.040 229 2HB ALA 29 HMB ALA 29 -1.220 7.013 -3.994 230 3HB ALA 29 HMB ALA 29 -2.679 6.019 -3.754 231 H LYS 30 HN LYS 30 -0.015 7.940 -0.896 232 HA LYS 30 HA LYS 30 2.451 7.360 -2.324 233 1HB LYS 30 HBS LYS 30 1.670 9.672 -1.805 234 2HB LYS 30 HBR LYS 30 1.950 9.332 -0.074 235 1HG LYS 30 HGR LYS 30 4.375 8.745 -0.821 236 2HG LYS 30 HGS LYS 30 3.959 9.641 -2.311 237 1HD LYS 30 HDS LYS 30 3.104 11.315 -0.283 238 2HD LYS 30 HDR LYS 30 4.553 10.604 0.374 239 1HE LYS 30 HES LYS 30 5.899 11.766 -0.952 240 2HE LYS 30 HER LYS 30 4.904 11.405 -2.391 241 1HZ LYS 30 HZC LYS 30 3.962 13.338 -0.428 242 2HZ LYS 30 HZA LYS 30 5.075 13.794 -1.531 243 3HZ LYS 30 HZB LYS 30 3.622 13.234 -2.022 244 H ILE 31 HN ILE 31 1.123 6.882 0.906 245 HA ILE 31 HA ILE 31 3.446 5.588 2.052 246 HB ILE 31 HB ILE 31 0.463 5.662 2.612 247 1HG1 ILE 31 HG1 ILE 31 1.671 6.349 4.913 248 2HG1 ILE 31 HG1 ILE 31 2.981 6.759 3.769 249 1HG2 ILE 31 HMG ILE 31 1.956 3.368 3.192 250 2HG2 ILE 31 HMG ILE 31 1.871 4.282 4.720 251 3HG2 ILE 31 HMG ILE 31 0.372 3.843 3.860 252 1HD1 ILE 31 HMD ILE 31 0.211 7.728 3.183 253 2HD1 ILE 31 HMD ILE 31 1.150 8.538 4.465 254 3HD1 ILE 31 HMD ILE 31 1.788 8.466 2.801 255 H LEU 32 HN LEU 32 0.373 4.149 0.907 256 HA LEU 32 HA LEU 32 1.271 1.646 0.447 257 1HB LEU 32 HBR LEU 32 -0.894 3.347 -0.713 258 2HB LEU 32 HBS LEU 32 -0.600 1.742 -1.442 259 HG LEU 32 HG LEU 32 -2.414 1.643 0.160 260 1HD1 LEU 32 HMD LEU 32 -0.065 0.072 0.111 261 2HD1 LEU 32 HMD LEU 32 -0.526 0.231 1.823 262 3HD1 LEU 32 HMD LEU 32 -1.696 -0.410 0.642 263 1HD2 LEU 32 HMD LEU 32 -0.365 2.899 1.971 264 2HD2 LEU 32 HMD LEU 32 -2.077 3.325 1.725 265 3HD2 LEU 32 HMD LEU 32 -1.647 1.860 2.643 266 H GLU 33 HN GLU 33 2.093 4.407 -1.416 267 HA GLU 33 HA GLU 33 3.339 2.973 -3.629 268 1HB GLU 33 HBR GLU 33 2.985 5.672 -2.640 269 2HB GLU 33 HBS GLU 33 4.619 5.392 -2.882 270 1HG GLU 33 HGS GLU 33 3.767 6.349 -4.886 271 2HG GLU 33 HGR GLU 33 4.302 4.688 -5.257 272 H GLU 34 HN GLU 34 4.687 4.718 -0.792 273 HA GLU 34 HA GLU 34 7.341 3.892 -1.310 274 1HB GLU 34 HBS GLU 34 6.300 5.774 0.020 275 2HB GLU 34 HBR GLU 34 6.114 4.733 1.322 276 1HG GLU 34 HGS GLU 34 8.538 4.407 1.474 277 2HG GLU 34 HGR GLU 34 8.824 5.280 -0.055 278 H MET 35 HN MET 35 4.763 2.507 0.676 279 HA MET 35 HA MET 35 6.309 0.306 1.728 280 1HB MET 35 HBR MET 35 3.519 1.178 1.727 281 2HB MET 35 HBS MET 35 3.693 -0.579 1.484 282 1HG MET 35 HGS MET 35 3.647 -0.375 3.840 283 2HG MET 35 HGR MET 35 5.378 -0.494 3.452 284 1HE MET 35 HME MET 35 6.361 0.492 5.318 285 2HE MET 35 HME MET 35 7.126 1.547 4.103 286 3HE MET 35 HME MET 35 6.520 2.239 5.629 287 H GLY 36 HN GLY 36 4.424 0.942 -1.205 288 1HA GLY 36 HAR GLY 36 4.435 -1.666 -2.228 289 2HA GLY 36 HAS GLY 36 4.233 -0.177 -3.195 290 H ARG 37 HN ARG 37 6.591 1.084 -3.047 291 HA ARG 37 HA ARG 37 8.391 -0.476 -4.688 292 1HB ARG 37 HBR ARG 37 8.093 2.270 -3.889 293 2HB ARG 37 HBS ARG 37 9.760 1.727 -3.541 294 1HG ARG 37 HGS ARG 37 9.258 0.740 -6.092 295 2HG ARG 37 HGR ARG 37 8.470 2.343 -6.092 296 1HD ARG 37 HDS ARG 37 11.257 1.940 -5.048 297 2HD ARG 37 HDR ARG 37 10.925 2.189 -6.785 298 HE ARG 37 HE ARG 37 9.598 4.234 -5.417 299 1HH1 ARG 37 HH1 ARG 37 12.935 3.101 -5.513 300 2HH1 ARG 37 HH1 ARG 37 13.594 4.701 -5.449 301 1HH2 ARG 37 HH2 ARG 37 10.494 6.315 -5.466 302 2HH2 ARG 37 HH2 ARG 37 12.213 6.520 -5.422 303 H ASP 38 HN ASP 38 7.935 0.117 -1.285 304 HA ASP 38 HA ASP 38 10.501 -0.750 -0.367 305 1HB ASP 38 HBR ASP 38 7.854 -0.259 0.843 306 2HB ASP 38 HBS ASP 38 8.924 -1.418 1.686 307 H ILE 39 HN ILE 39 7.382 -2.508 -0.478 308 HA ILE 39 HA ILE 39 8.537 -5.046 0.058 309 HB ILE 39 HB ILE 39 5.930 -4.503 -1.439 310 1HG1 ILE 39 HG1 ILE 39 5.874 -4.841 1.517 311 2HG1 ILE 39 HG1 ILE 39 6.572 -3.311 0.915 312 1HG2 ILE 39 HMG ILE 39 6.706 -6.862 -1.326 313 2HG2 ILE 39 HMG ILE 39 6.648 -6.753 0.454 314 3HG2 ILE 39 HMG ILE 39 5.151 -6.574 -0.499 315 1HD1 ILE 39 HMD ILE 39 4.380 -3.265 -0.551 316 2HD1 ILE 39 HMD ILE 39 3.770 -4.352 0.725 317 3HD1 ILE 39 HMD ILE 39 4.363 -2.724 1.149 318 H ALA 40 HN ALA 40 8.516 -3.096 -2.756 319 HA ALA 40 HA ALA 40 8.589 -5.261 -4.677 320 1HB ALA 40 HMB ALA 40 7.664 -3.012 -5.152 321 2HB ALA 40 HMB ALA 40 9.309 -2.337 -5.027 322 3HB ALA 40 HMB ALA 40 8.926 -3.519 -6.304 323 H SER 41 HN SER 41 10.982 -2.646 -4.215 324 HA SER 41 HA SER 41 13.157 -4.071 -5.200 325 1HB SER 41 HBR SER 41 12.718 -1.523 -4.022 326 2HB SER 41 HBS SER 41 14.111 -2.279 -3.194 327 HG SER 41 HG SER 41 15.327 -2.224 -4.846 328 H GLU 42 HN GLU 42 11.541 -4.454 -2.213 329 HA GLU 42 HA GLU 42 13.627 -5.967 -0.858 330 1HB GLU 42 HBS GLU 42 10.778 -5.350 -0.652 331 2HB GLU 42 HBR GLU 42 11.147 -6.859 -0.018 332 1HG GLU 42 HGS GLU 42 13.117 -4.953 0.885 333 2HG GLU 42 HGR GLU 42 11.519 -4.213 1.172 334 H ALA 43 HN ALA 43 10.598 -6.861 -2.577 335 HA ALA 43 HA ALA 43 11.148 -9.692 -2.539 336 1HB ALA 43 HMB ALA 43 9.178 -7.881 -3.902 337 2HB ALA 43 HMB ALA 43 9.346 -9.581 -4.411 338 3HB ALA 43 HMB ALA 43 8.906 -9.194 -2.728 339 H ILE 44 HN ILE 44 12.284 -7.038 -4.388 340 HA ILE 44 HA ILE 44 12.967 -8.638 -6.702 341 HB ILE 44 HB ILE 44 13.435 -5.732 -5.894 342 1HG1 ILE 44 HG1 ILE 44 11.676 -6.923 -8.067 343 2HG1 ILE 44 HG1 ILE 44 11.124 -6.578 -6.403 344 1HG2 ILE 44 HMG ILE 44 14.554 -7.220 -8.207 345 2HG2 ILE 44 HMG ILE 44 13.866 -5.606 -8.526 346 3HG2 ILE 44 HMG ILE 44 15.176 -5.797 -7.331 347 1HD1 ILE 44 HMD ILE 44 12.253 -4.498 -8.297 348 2HD1 ILE 44 HMD ILE 44 10.513 -4.827 -8.076 349 3HD1 ILE 44 HMD ILE 44 11.487 -4.220 -6.710 350 H LYS 45 HN LYS 45 14.881 -6.796 -4.286 351 HA LYS 45 HA LYS 45 17.365 -8.063 -4.716 352 1HB LYS 45 HBS LYS 45 16.685 -6.102 -3.117 353 2HB LYS 45 HBR LYS 45 16.416 -7.417 -1.938 354 1HG LYS 45 HGR LYS 45 18.600 -7.007 -1.443 355 2HG LYS 45 HGS LYS 45 18.873 -8.110 -2.821 356 1HD LYS 45 HDS LYS 45 18.655 -5.756 -4.123 357 2HD LYS 45 HDR LYS 45 19.276 -5.195 -2.595 358 1HE LYS 45 HES LYS 45 20.560 -7.303 -4.330 359 2HE LYS 45 HER LYS 45 21.070 -5.601 -4.151 360 1HZ LYS 45 HZA LYS 45 21.176 -6.236 -1.688 361 2HZ LYS 45 HZB LYS 45 21.259 -7.777 -2.226 362 3HZ LYS 45 HZC LYS 45 22.395 -6.693 -2.676 363 H LEU 46 HN LEU 46 14.495 -9.072 -2.912 364 HA LEU 46 HA LEU 46 15.476 -11.576 -1.936 365 1HB LEU 46 HBS LEU 46 12.796 -10.404 -2.663 366 2HB LEU 46 HBR LEU 46 12.957 -12.120 -2.191 367 HG LEU 46 HG LEU 46 14.026 -9.968 -0.394 368 1HD1 LEU 46 HMD LEU 46 11.172 -10.606 -0.989 369 2HD1 LEU 46 HMD LEU 46 11.639 -10.411 0.720 370 3HD1 LEU 46 HMD LEU 46 11.921 -9.086 -0.437 371 1HD2 LEU 46 HMD LEU 46 13.130 -12.829 -0.269 372 2HD2 LEU 46 HMD LEU 46 14.610 -12.066 0.365 373 3HD2 LEU 46 HMD LEU 46 13.055 -11.824 1.200 374 H ALA 47 HN ALA 47 13.875 -10.602 -4.979 375 HA ALA 47 HA ALA 47 13.930 -13.047 -6.274 376 1HB ALA 47 HMB ALA 47 13.077 -10.595 -6.922 377 2HB ALA 47 HMB ALA 47 14.554 -10.652 -7.917 378 3HB ALA 47 HMB ALA 47 13.298 -11.901 -8.114 379 H ARG 48 HN ARG 48 16.494 -10.590 -6.068 380 HA ARG 48 HA ARG 48 18.198 -11.651 -8.038 381 1HB ARG 48 HBS ARG 48 18.298 -9.386 -6.801 382 2HB ARG 48 HBR ARG 48 19.235 -10.271 -5.563 383 1HG ARG 48 HGS ARG 48 20.811 -9.225 -6.998 384 2HG ARG 48 HGR ARG 48 20.814 -10.963 -7.414 385 1HD ARG 48 HDS ARG 48 19.184 -10.415 -9.238 386 2HD ARG 48 HDR ARG 48 19.499 -8.691 -8.895 387 HE ARG 48 HE ARG 48 21.388 -10.633 -10.073 388 1HH1 ARG 48 HH1 ARG 48 20.918 -7.419 -8.701 389 2HH1 ARG 48 HH1 ARG 48 22.209 -6.719 -9.619 390 1HH2 ARG 48 HH2 ARG 48 22.983 -9.654 -11.352 391 2HH2 ARG 48 HH2 ARG 48 23.380 -7.983 -11.118 392 H HIS 49 HN HIS 49 18.449 -11.981 -4.474 393 HA HIS 49 HA HIS 49 20.331 -14.129 -4.561 394 1HB HIS 49 HBS HIS 49 18.427 -13.223 -2.366 395 2HB HIS 49 HBR HIS 49 19.565 -14.591 -2.188 396 HD1 HIS 49 HD1 HIS 49 21.646 -13.830 -0.968 397 HD2 HIS 49 HD2 HIS 49 20.116 -10.881 -3.481 398 HE1 HIS 49 HE1 HIS 49 23.272 -11.924 -0.893 399 HE2 HIS 49 HE2 HIS 49 22.364 -10.146 -2.431 400 H ALA 50 HN ALA 50 16.965 -13.940 -5.168 401 HA ALA 50 HA ALA 50 16.299 -16.708 -4.710 402 1HB ALA 50 HMB ALA 50 15.009 -14.330 -5.621 403 2HB ALA 50 HMB ALA 50 14.765 -15.610 -6.837 404 3HB ALA 50 HMB ALA 50 14.289 -15.889 -5.141 405 H GLY 51 HN GLY 51 17.393 -14.817 -7.531 406 1HA GLY 51 HAR GLY 51 18.760 -16.166 -9.132 407 2HA GLY 51 HAS GLY 51 17.407 -17.328 -9.163 408 H ARG 52 HN ARG 52 16.582 -13.973 -8.896 409 HA ARG 52 HA ARG 52 15.887 -12.346 -10.328 410 1HB ARG 52 HBR ARG 52 17.447 -11.817 -12.092 411 2HB ARG 52 HBS ARG 52 18.279 -12.269 -10.585 412 1HG ARG 52 HGS ARG 52 19.553 -13.168 -12.338 413 2HG ARG 52 HGR ARG 52 18.694 -14.547 -11.612 414 1HD ARG 52 HDS ARG 52 18.753 -14.595 -14.064 415 2HD ARG 52 HDR ARG 52 17.093 -14.552 -13.410 416 HE ARG 52 HE ARG 52 16.821 -12.706 -14.744 417 1HH1 ARG 52 HH1 ARG 52 20.250 -12.965 -13.984 418 2HH1 ARG 52 HH1 ARG 52 20.638 -11.434 -14.697 419 1HH2 ARG 52 HH2 ARG 52 17.349 -10.671 -15.596 420 2HH2 ARG 52 HH2 ARG 52 18.998 -10.144 -15.626 421 H LYS 53 HN LYS 53 16.016 -12.140 -13.127 422 HA LYS 53 HA LYS 53 14.662 -12.486 -14.955 423 1HB LYS 53 HBR LYS 53 13.657 -15.035 -13.649 424 2HB LYS 53 HBS LYS 53 13.375 -14.470 -15.319 425 1HG LYS 53 HGR LYS 53 15.161 -15.636 -15.967 426 2HG LYS 53 HGS LYS 53 16.187 -14.559 -14.977 427 1HD LYS 53 HDS LYS 53 16.785 -16.583 -14.143 428 2HD LYS 53 HDR LYS 53 15.556 -16.064 -13.021 429 1HE LYS 53 HES LYS 53 13.889 -17.398 -14.402 430 2HE LYS 53 HER LYS 53 15.322 -18.112 -15.194 431 1HZ LYS 53 HZA LYS 53 15.843 -18.286 -12.553 432 2HZ LYS 53 HZB LYS 53 14.249 -18.630 -12.627 433 3HZ LYS 53 HZC LYS 53 15.313 -19.504 -13.504 434 H THR 54 HN THR 54 12.716 -14.099 -12.434 435 HA THR 54 HA THR 54 10.621 -12.094 -13.070 436 HB THR 54 HB THR 54 10.180 -14.977 -12.130 437 HG1 THR 54 HG1 THR 54 9.957 -15.454 -14.080 438 1HG2 THR 54 HMG THR 54 8.248 -13.382 -12.034 439 2HG2 THR 54 HMG THR 54 8.382 -13.209 -13.803 440 3HG2 THR 54 HMG THR 54 8.001 -14.797 -13.088 441 H ILE 55 HN ILE 55 9.498 -11.081 -11.546 442 HA ILE 55 HA ILE 55 9.884 -11.833 -8.695 443 HB ILE 55 HB ILE 55 8.390 -9.420 -9.825 444 1HG1 ILE 55 HG1 ILE 55 10.796 -9.502 -10.516 445 2HG1 ILE 55 HG1 ILE 55 10.342 -8.076 -9.540 446 1HG2 ILE 55 HMG ILE 55 8.716 -10.482 -7.171 447 2HG2 ILE 55 HMG ILE 55 9.443 -8.858 -7.283 448 3HG2 ILE 55 HMG ILE 55 7.737 -9.104 -7.738 449 1HD1 ILE 55 HMD ILE 55 11.779 -10.538 -8.504 450 2HD1 ILE 55 HMD ILE 55 12.539 -8.974 -8.906 451 3HD1 ILE 55 HMD ILE 55 11.366 -9.078 -7.566 452 H LYS 56 HN LYS 56 8.218 -12.610 -7.510 453 HA LYS 56 HA LYS 56 5.624 -13.123 -8.805 454 1HB LYS 56 HBR LYS 56 5.783 -15.560 -8.237 455 2HB LYS 56 HBS LYS 56 6.781 -15.024 -9.620 456 1HG LYS 56 HGR LYS 56 8.209 -14.963 -7.044 457 2HG LYS 56 HGS LYS 56 7.643 -16.592 -7.510 458 1HD LYS 56 HDS LYS 56 9.426 -14.751 -9.100 459 2HD LYS 56 HDR LYS 56 9.874 -16.222 -8.281 460 1HE LYS 56 HES LYS 56 8.113 -17.372 -9.786 461 2HE LYS 56 HER LYS 56 8.261 -15.887 -10.768 462 1HZ LYS 56 HZB LYS 56 10.497 -17.635 -10.001 463 2HZ LYS 56 HZC LYS 56 9.776 -17.620 -11.466 464 3HZ LYS 56 HZA LYS 56 10.596 -16.307 -10.946 465 H ALA 57 HN ALA 57 4.187 -14.352 -7.282 466 HA ALA 57 HA ALA 57 3.883 -12.653 -5.087 467 1HB ALA 57 HMB ALA 57 2.593 -15.271 -5.852 468 2HB ALA 57 HMB ALA 57 2.117 -14.364 -4.393 469 3HB ALA 57 HMB ALA 57 1.955 -13.613 -6.002 470 H GLU 58 HN GLU 58 5.563 -15.689 -5.370 471 HA GLU 58 HA GLU 58 5.890 -16.280 -2.550 472 1HB GLU 58 HBR GLU 58 6.284 -17.816 -4.468 473 2HB GLU 58 HBS GLU 58 7.488 -16.788 -5.024 474 1HG GLU 58 HGS GLU 58 9.092 -17.607 -3.784 475 2HG GLU 58 HGR GLU 58 8.159 -17.467 -2.269 476 H ASP 59 HN ASP 59 7.728 -14.459 -5.025 477 HA ASP 59 HA ASP 59 9.673 -13.392 -3.295 478 1HB ASP 59 HBR ASP 59 8.571 -12.021 -5.742 479 2HB ASP 59 HBS ASP 59 10.170 -11.808 -4.972 480 H ILE 60 HN ILE 60 6.481 -12.115 -4.227 481 HA ILE 60 HA ILE 60 6.699 -9.716 -2.798 482 HB ILE 60 HB ILE 60 4.194 -11.303 -3.551 483 1HG1 ILE 60 HG1 ILE 60 5.499 -10.959 -5.499 484 2HG1 ILE 60 HG1 ILE 60 4.185 -9.749 -5.540 485 1HG2 ILE 60 HMG ILE 60 4.504 -8.387 -2.810 486 2HG2 ILE 60 HMG ILE 60 3.049 -9.101 -3.555 487 3HG2 ILE 60 HMG ILE 60 3.580 -9.639 -1.938 488 1HD1 ILE 60 HMD ILE 60 5.987 -8.191 -4.438 489 2HD1 ILE 60 HMD ILE 60 7.133 -9.366 -5.136 490 3HD1 ILE 60 HMD ILE 60 5.998 -8.490 -6.197 491 H GLU 61 HN GLU 61 5.045 -12.747 -1.845 492 HA GLU 61 HA GLU 61 4.368 -12.027 0.762 493 1HB GLU 61 HBR GLU 61 5.018 -14.582 -0.662 494 2HB GLU 61 HBS GLU 61 4.915 -14.599 1.013 495 1HG GLU 61 HGS GLU 61 2.717 -14.348 1.179 496 2HG GLU 61 HGR GLU 61 2.577 -13.211 -0.190 497 H LEU 62 HN LEU 62 7.424 -13.273 -0.542 498 HA LEU 62 HA LEU 62 8.828 -13.602 1.876 499 1HB LEU 62 HBR LEU 62 9.313 -13.525 -0.970 500 2HB LEU 62 HBS LEU 62 10.622 -12.683 -0.094 501 HG LEU 62 HG LEU 62 11.044 -14.690 1.226 502 1HD1 LEU 62 HMD LEU 62 8.441 -15.331 0.458 503 2HD1 LEU 62 HMD LEU 62 9.460 -16.500 -0.419 504 3HD1 LEU 62 HMD LEU 62 9.575 -16.371 1.355 505 1HD2 LEU 62 HMD LEU 62 11.391 -14.424 -1.621 506 2HD2 LEU 62 HMD LEU 62 12.463 -15.184 -0.419 507 3HD2 LEU 62 HMD LEU 62 11.179 -16.142 -1.199 508 H ALA 63 HN ALA 63 8.912 -10.791 -0.351 509 HA ALA 63 HA ALA 63 10.303 -9.067 1.287 510 1HB ALA 63 HMB ALA 63 8.462 -8.805 -1.007 511 2HB ALA 63 HMB ALA 63 8.658 -7.341 -0.010 512 3HB ALA 63 HMB ALA 63 10.085 -8.120 -0.739 513 H VAL 64 HN VAL 64 6.757 -9.463 1.089 514 HA VAL 64 HA VAL 64 6.280 -7.156 2.636 515 HB VAL 64 HB VAL 64 4.898 -8.725 0.914 516 1HG1 VAL 64 HMG VAL 64 4.188 -10.374 2.545 517 2HG1 VAL 64 HMG VAL 64 3.458 -9.107 3.559 518 3HG1 VAL 64 HMG VAL 64 2.801 -9.441 1.939 519 1HG2 VAL 64 HMG VAL 64 4.628 -6.229 2.135 520 2HG2 VAL 64 HMG VAL 64 3.768 -6.860 0.709 521 3HG2 VAL 64 HMG VAL 64 3.043 -7.016 2.327 522 H ARG 65 HN ARG 65 5.679 -10.575 3.542 523 HA ARG 65 HA ARG 65 5.557 -10.177 6.284 524 1HB ARG 65 HBR ARG 65 5.464 -12.356 4.607 525 2HB ARG 65 HBS ARG 65 6.957 -12.652 5.544 526 1HG ARG 65 HGS ARG 65 5.817 -13.189 7.394 527 2HG ARG 65 HGR ARG 65 4.698 -11.808 7.212 528 1HD ARG 65 HDS ARG 65 4.324 -13.913 5.220 529 2HD ARG 65 HDR ARG 65 4.066 -14.452 6.903 530 HE ARG 65 HE ARG 65 2.359 -12.727 5.360 531 1HH1 ARG 65 HH1 ARG 65 3.631 -13.056 8.631 532 2HH1 ARG 65 HH1 ARG 65 2.167 -12.502 9.373 533 1HH2 ARG 65 HH2 ARG 65 0.420 -12.132 6.370 534 2HH2 ARG 65 HH2 ARG 65 0.349 -11.978 8.093 535 H ARG 66 HN ARG 66 8.282 -9.872 4.233 536 HA ARG 66 HA ARG 66 10.391 -10.538 6.095 537 1HB ARG 66 HBR ARG 66 10.188 -9.499 3.407 538 2HB ARG 66 HBS ARG 66 11.277 -8.474 4.384 539 1HG ARG 66 HGS ARG 66 11.629 -11.444 4.510 540 2HG ARG 66 HGR ARG 66 12.162 -10.584 3.037 541 1HD ARG 66 HDS ARG 66 13.134 -8.979 5.010 542 2HD ARG 66 HDR ARG 66 13.274 -10.599 5.749 543 HE ARG 66 HE ARG 66 14.410 -11.134 3.441 544 1HH1 ARG 66 HH1 ARG 66 14.855 -8.343 5.550 545 2HH1 ARG 66 HH1 ARG 66 16.396 -7.939 4.871 546 1HH2 ARG 66 HH2 ARG 66 16.369 -10.501 2.493 547 2HH2 ARG 66 HH2 ARG 66 17.254 -9.160 3.142 548 H PHE 67 HN PHE 67 8.810 -7.486 5.085 549 HA PHE 67 HA PHE 67 9.812 -5.838 7.128 550 1HB PHE 67 HBR PHE 67 6.957 -5.693 6.077 551 2HB PHE 67 HBS PHE 67 7.928 -4.387 6.817 552 HD1 PHE 67 HD2 PHE 67 10.160 -3.754 5.476 553 HD2 PHE 67 HD1 PHE 67 6.920 -6.006 3.868 554 HE1 PHE 67 HE2 PHE 67 10.897 -3.170 3.188 555 HE2 PHE 67 HE1 PHE 67 7.660 -5.482 1.589 556 HZ PHE 67 HZ PHE 67 9.689 -4.122 1.245 557 H LYS 68 HN LYS 68 6.993 -8.019 7.113 558 HA LYS 68 HA LYS 68 5.591 -8.755 8.769 559 1HB LYS 68 HBR LYS 68 8.146 -8.561 10.086 560 2HB LYS 68 HBS LYS 68 6.854 -8.006 11.189 561 1HG LYS 68 HGR LYS 68 5.723 -10.089 11.082 562 2HG LYS 68 HGS LYS 68 6.671 -10.621 9.665 563 1HD LYS 68 HDS LYS 68 7.409 -11.804 11.612 564 2HD LYS 68 HDR LYS 68 8.663 -10.776 10.973 565 1HE LYS 68 HES LYS 68 8.854 -9.606 12.846 566 2HE LYS 68 HER LYS 68 7.084 -9.408 12.980 567 1HZ LYS 68 HZA LYS 68 7.299 -11.913 13.638 568 2HZ LYS 68 HZB LYS 68 8.793 -11.448 14.109 569 3HZ LYS 68 HZC LYS 68 7.474 -10.721 14.742 570 H LYS 69 HN LYS 69 4.872 -7.804 11.183 571 HA LYS 69 HA LYS 69 3.157 -5.750 10.392 572 1HB LYS 69 HBS LYS 69 2.465 -5.585 12.704 573 2HB LYS 69 HBR LYS 69 2.680 -7.297 12.237 574 1HG LYS 69 HGR LYS 69 5.044 -7.047 13.300 575 2HG LYS 69 HGS LYS 69 4.363 -5.591 14.082 576 1HD LYS 69 HDS LYS 69 2.790 -6.798 15.288 577 2HD LYS 69 HDR LYS 69 2.904 -8.185 14.239 578 1HE LYS 69 HES LYS 69 3.926 -8.545 16.459 579 2HE LYS 69 HER LYS 69 5.035 -8.798 15.082 580 1HZ LYS 69 HZC LYS 69 5.409 -6.232 15.656 581 2HZ LYS 69 HZA LYS 69 5.124 -6.826 17.151 582 3HZ LYS 69 HZB LYS 69 6.331 -7.445 16.242 583 1H MET 1 HNC MET 1 -9.977 -8.136 -4.415 584 2H MET 1 HN MET 1 -8.850 -8.839 -3.462 585 3H MET 1 HNB MET 1 -9.246 -7.270 -3.238 586 HA MET 1 HA MET 1 -7.209 -7.239 -4.285 587 1HB MET 1 HBS MET 1 -6.796 -8.476 -6.353 588 2HB MET 1 HBR MET 1 -7.260 -9.572 -5.021 589 1HG MET 1 HGS MET 1 -9.580 -9.648 -5.906 590 2HG MET 1 HGR MET 1 -9.095 -8.559 -7.228 591 1HE MET 1 HME MET 1 -9.547 -9.710 -9.031 592 2HE MET 1 HME MET 1 -7.876 -9.819 -9.640 593 3HE MET 1 HME MET 1 -8.920 -11.263 -9.641 594 H GLU 2 HN GLU 2 -9.542 -5.665 -4.147 595 HA GLU 2 HA GLU 2 -10.320 -4.922 -6.848 596 1HB GLU 2 HBR GLU 2 -11.075 -4.129 -4.041 597 2HB GLU 2 HBS GLU 2 -11.578 -3.221 -5.360 598 1HG GLU 2 HGS GLU 2 -12.180 -6.145 -5.016 599 2HG GLU 2 HGR GLU 2 -13.386 -4.846 -4.801 600 H LEU 3 HN LEU 3 -7.554 -4.275 -5.531 601 HA LEU 3 HA LEU 3 -7.418 -1.450 -6.381 602 1HB LEU 3 HBR LEU 3 -4.971 -3.068 -5.919 603 2HB LEU 3 HBS LEU 3 -5.368 -1.401 -5.420 604 HG LEU 3 HG LEU 3 -6.155 -3.980 -4.044 605 1HD1 LEU 3 HMD LEU 3 -4.138 -1.827 -3.630 606 2HD1 LEU 3 HMD LEU 3 -4.970 -2.458 -2.186 607 3HD1 LEU 3 HMD LEU 3 -4.064 -3.565 -3.247 608 1HD2 LEU 3 HMD LEU 3 -7.019 -1.108 -3.659 609 2HD2 LEU 3 HMD LEU 3 -8.031 -2.564 -3.840 610 3HD2 LEU 3 HMD LEU 3 -7.092 -2.310 -2.346 611 HA PRO 4 HA PRO 4 -6.051 -2.340 -10.514 612 1HB PRO 4 HBR PRO 4 -4.567 -0.161 -10.852 613 2HB PRO 4 HBS PRO 4 -6.179 -0.228 -11.156 614 1HG PRO 4 HGS PRO 4 -4.871 1.046 -9.054 615 2HG PRO 4 HGR PRO 4 -6.422 1.300 -9.616 616 1HD PRO 4 HDS PRO 4 -5.722 -0.079 -7.378 617 2HD PRO 4 HDR PRO 4 -7.240 0.045 -8.022 618 H ILE 5 HN ILE 5 -4.476 -3.393 -11.516 619 HA ILE 5 HA ILE 5 -2.297 -4.089 -9.677 620 HB ILE 5 HB ILE 5 -2.184 -6.169 -11.001 621 1HG1 ILE 5 HG1 ILE 5 -4.214 -4.770 -12.772 622 2HG1 ILE 5 HG1 ILE 5 -2.584 -5.354 -13.209 623 1HG2 ILE 5 HMG ILE 5 -4.062 -5.625 -9.227 624 2HG2 ILE 5 HMG ILE 5 -5.126 -5.837 -10.642 625 3HG2 ILE 5 HMG ILE 5 -4.043 -7.161 -10.135 626 1HD1 ILE 5 HMD ILE 5 -3.501 -7.698 -12.635 627 2HD1 ILE 5 HMD ILE 5 -5.109 -6.932 -12.745 628 3HD1 ILE 5 HMD ILE 5 -4.020 -6.928 -14.159 629 H ALA 6 HN ALA 6 -2.800 -2.392 -12.611 630 HA ALA 6 HA ALA 6 -0.140 -2.716 -13.695 631 1HB ALA 6 HMB ALA 6 -2.546 -1.053 -14.249 632 2HB ALA 6 HMB ALA 6 -0.970 -0.420 -14.788 633 3HB ALA 6 HMB ALA 6 -1.529 -2.015 -15.351 634 HA PRO 7 HA PRO 7 0.345 1.625 -11.461 635 1HB PRO 7 HBR PRO 7 -1.585 1.460 -9.421 636 2HB PRO 7 HBS PRO 7 -1.239 2.735 -10.397 637 1HG PRO 7 HGS PRO 7 -3.393 1.180 -10.597 638 2HG PRO 7 HGR PRO 7 -2.873 2.258 -11.758 639 1HD PRO 7 HDS PRO 7 -2.804 -0.506 -11.864 640 2HD PRO 7 HDR PRO 7 -2.402 0.563 -13.060 641 H ILE 8 HN ILE 8 -0.811 -0.928 -9.402 642 HA ILE 8 HA ILE 8 1.254 -0.831 -7.508 643 HB ILE 8 HB ILE 8 -0.367 -3.211 -8.534 644 1HG1 ILE 8 HG1 ILE 8 -0.763 -1.325 -6.180 645 2HG1 ILE 8 HG1 ILE 8 -1.727 -1.380 -7.683 646 1HG2 ILE 8 HMG ILE 8 1.757 -3.826 -7.312 647 2HG2 ILE 8 HMG ILE 8 1.042 -3.055 -5.871 648 3HG2 ILE 8 HMG ILE 8 0.235 -4.456 -6.625 649 1HD1 ILE 8 HMD ILE 8 -2.161 -3.868 -6.940 650 2HD1 ILE 8 HMD ILE 8 -1.732 -3.234 -5.329 651 3HD1 ILE 8 HMD ILE 8 -3.095 -2.523 -6.234 652 H GLY 9 HN GLY 9 1.022 -2.842 -10.463 653 1HA GLY 9 HAR GLY 9 3.473 -4.086 -10.298 654 2HA GLY 9 HAS GLY 9 2.648 -3.731 -11.840 655 H ARG 10 HN ARG 10 2.753 -0.802 -11.318 656 HA ARG 10 HA ARG 10 5.344 -0.447 -12.619 657 1HB ARG 10 HBR ARG 10 2.775 0.773 -12.770 658 2HB ARG 10 HBS ARG 10 3.940 2.025 -12.254 659 1HG ARG 10 HGS ARG 10 4.967 0.397 -14.450 660 2HG ARG 10 HGR ARG 10 3.424 1.199 -14.861 661 1HD ARG 10 HDS ARG 10 5.722 2.654 -13.576 662 2HD ARG 10 HDR ARG 10 5.573 2.458 -15.345 663 HE ARG 10 HE ARG 10 4.039 4.234 -13.646 664 1HH1 ARG 10 HH1 ARG 10 3.762 2.242 -16.542 665 2HH1 ARG 10 HH1 ARG 10 2.688 3.347 -17.332 666 1HH2 ARG 10 HH2 ARG 10 2.737 5.716 -14.763 667 2HH2 ARG 10 HH2 ARG 10 2.107 5.313 -16.325 668 H ILE 11 HN ILE 11 3.931 0.065 -9.510 669 HA ILE 11 HA ILE 11 5.958 1.819 -8.413 670 HB ILE 11 HB ILE 11 4.125 -0.286 -7.167 671 1HG1 ILE 11 HG1 ILE 11 2.937 1.586 -8.126 672 2HG1 ILE 11 HG1 ILE 11 2.872 1.683 -6.343 673 1HG2 ILE 11 HMG ILE 11 6.218 0.071 -5.844 674 2HG2 ILE 11 HMG ILE 11 5.741 1.780 -5.667 675 3HG2 ILE 11 HMG ILE 11 4.707 0.491 -4.996 676 1HD1 ILE 11 HMD ILE 11 4.696 3.369 -6.416 677 2HD1 ILE 11 HMD ILE 11 4.622 3.325 -8.198 678 3HD1 ILE 11 HMD ILE 11 3.214 3.891 -7.261 679 H ILE 12 HN ILE 12 5.499 -1.722 -8.635 680 HA ILE 12 HA ILE 12 7.957 -2.345 -7.384 681 HB ILE 12 HB ILE 12 6.558 -4.188 -9.363 682 1HG1 ILE 12 HG1 ILE 12 4.713 -3.324 -8.181 683 2HG1 ILE 12 HG1 ILE 12 5.083 -4.897 -7.423 684 1HG2 ILE 12 HMG ILE 12 8.714 -4.806 -8.144 685 2HG2 ILE 12 HMG ILE 12 7.702 -4.924 -6.679 686 3HG2 ILE 12 HMG ILE 12 7.357 -5.961 -8.089 687 1HD1 ILE 12 HMD ILE 12 6.251 -2.411 -6.226 688 2HD1 ILE 12 HMD ILE 12 4.523 -2.773 -5.967 689 3HD1 ILE 12 HMD ILE 12 5.766 -3.943 -5.451 690 H LYS 13 HN LYS 13 7.039 -2.145 -10.818 691 HA LYS 13 HA LYS 13 9.572 -2.551 -11.972 692 1HB LYS 13 HBR LYS 13 7.048 -1.218 -12.736 693 2HB LYS 13 HBS LYS 13 8.511 -0.584 -13.539 694 1HG LYS 13 HGR LYS 13 8.706 -2.399 -14.859 695 2HG LYS 13 HGS LYS 13 8.395 -3.522 -13.504 696 1HD LYS 13 HDS LYS 13 6.346 -3.897 -14.178 697 2HD LYS 13 HDR LYS 13 5.974 -2.197 -14.086 698 1HE LYS 13 HES LYS 13 6.068 -1.891 -16.291 699 2HE LYS 13 HER LYS 13 7.530 -2.906 -16.450 700 1HZ LYS 13 HZC LYS 13 6.072 -4.830 -16.229 701 2HZ LYS 13 HZA LYS 13 4.759 -3.858 -16.217 702 3HZ LYS 13 HZB LYS 13 5.708 -3.933 -17.544 703 H ASP 14 HN ASP 14 8.020 0.490 -10.882 704 HA ASP 14 HA ASP 14 10.083 2.173 -11.385 705 1HB ASP 14 HBS ASP 14 7.841 2.870 -10.733 706 2HB ASP 14 HBR ASP 14 8.188 2.380 -9.049 707 H ALA 15 HN ALA 15 9.656 0.177 -8.504 708 HA ALA 15 HA ALA 15 11.977 0.748 -7.108 709 1HB ALA 15 HMB ALA 15 10.026 -1.119 -6.927 710 2HB ALA 15 HMB ALA 15 11.390 -2.126 -7.474 711 3HB ALA 15 HMB ALA 15 11.540 -1.155 -5.988 712 H GLY 16 HN GLY 16 11.599 -1.370 -9.948 713 1HA GLY 16 HAR GLY 16 13.618 -1.490 -11.408 714 2HA GLY 16 HAS GLY 16 14.551 -1.868 -9.936 715 H ALA 17 HN ALA 17 11.358 -3.149 -10.038 716 HA ALA 17 HA ALA 17 12.062 -5.898 -10.307 717 1HB ALA 17 HMB ALA 17 9.799 -4.451 -9.686 718 2HB ALA 17 HMB ALA 17 9.401 -5.162 -11.270 719 3HB ALA 17 HMB ALA 17 9.892 -6.216 -9.919 720 H GLU 18 HN GLU 18 12.603 -7.046 -12.004 721 HA GLU 18 HA GLU 18 13.210 -5.725 -14.511 722 1HB GLU 18 HBR GLU 18 14.011 -7.967 -13.098 723 2HB GLU 18 HBS GLU 18 13.034 -8.634 -14.288 724 1HG GLU 18 HGS GLU 18 15.291 -8.676 -15.091 725 2HG GLU 18 HGR GLU 18 14.329 -7.612 -16.152 726 H ARG 19 HN ARG 19 11.116 -8.538 -13.725 727 HA ARG 19 HA ARG 19 8.959 -7.289 -15.289 728 1HB ARG 19 HBR ARG 19 8.430 -9.778 -16.034 729 2HB ARG 19 HBS ARG 19 9.440 -8.676 -17.013 730 1HG ARG 19 HGS ARG 19 10.949 -10.273 -15.050 731 2HG ARG 19 HGR ARG 19 10.108 -11.241 -16.294 732 1HD ARG 19 HDS ARG 19 12.179 -9.092 -16.636 733 2HD ARG 19 HDR ARG 19 12.212 -10.791 -17.187 734 HE ARG 19 HE ARG 19 10.672 -8.577 -18.417 735 1HH1 ARG 19 HH1 ARG 19 11.500 -12.003 -18.398 736 2HH1 ARG 19 HH1 ARG 19 11.163 -12.206 -20.084 737 1HH2 ARG 19 HH2 ARG 19 10.363 -8.852 -20.646 738 2HH2 ARG 19 HH2 ARG 19 10.517 -10.424 -21.357 739 H VAL 20 HN VAL 20 7.441 -7.045 -13.838 740 HA VAL 20 HA VAL 20 7.169 -8.863 -11.547 741 HB VAL 20 HB VAL 20 5.379 -6.559 -12.316 742 1HG1 VAL 20 HMG VAL 20 4.624 -8.223 -10.566 743 2HG1 VAL 20 HMG VAL 20 5.963 -7.632 -9.554 744 3HG1 VAL 20 HMG VAL 20 4.673 -6.517 -10.063 745 1HG2 VAL 20 HMG VAL 20 8.089 -6.315 -11.780 746 2HG2 VAL 20 HMG VAL 20 6.858 -5.032 -11.682 747 3HG2 VAL 20 HMG VAL 20 7.303 -5.951 -10.225 748 H SER 21 HN SER 21 6.272 -10.737 -11.851 749 HA SER 21 HA SER 21 4.381 -11.431 -13.869 750 1HB SER 21 HBS SER 21 5.544 -13.188 -12.830 751 2HB SER 21 HBR SER 21 5.066 -12.658 -11.192 752 HG SER 21 HG SER 21 3.835 -14.249 -13.123 753 H ASP 22 HN ASP 22 2.173 -11.661 -13.793 754 HA ASP 22 HA ASP 22 0.782 -9.593 -12.590 755 1HB ASP 22 HBS ASP 22 -0.371 -12.173 -13.652 756 2HB ASP 22 HBR ASP 22 -1.258 -10.650 -13.348 757 H ASP 23 HN ASP 23 1.669 -12.642 -11.267 758 HA ASP 23 HA ASP 23 -0.308 -12.510 -9.169 759 1HB ASP 23 HBS ASP 23 0.822 -14.569 -10.374 760 2HB ASP 23 HBR ASP 23 1.956 -14.425 -8.999 761 H ALA 24 HN ALA 24 2.947 -11.440 -9.605 762 HA ALA 24 HA ALA 24 3.571 -10.923 -6.819 763 1HB ALA 24 HMB ALA 24 4.562 -9.858 -9.464 764 2HB ALA 24 HMB ALA 24 5.107 -9.200 -7.900 765 3HB ALA 24 HMB ALA 24 5.394 -10.913 -8.294 766 H ARG 25 HN ARG 25 2.200 -9.035 -9.535 767 HA ARG 25 HA ARG 25 1.995 -6.655 -8.061 768 1HB ARG 25 HBR ARG 25 0.401 -5.943 -9.901 769 2HB ARG 25 HBS ARG 25 2.040 -6.456 -10.396 770 1HG ARG 25 HGS ARG 25 1.086 -8.691 -10.994 771 2HG ARG 25 HGR ARG 25 -0.540 -8.036 -10.651 772 1HD ARG 25 HDS ARG 25 0.159 -6.157 -12.291 773 2HD ARG 25 HDR ARG 25 1.392 -7.333 -12.828 774 HE ARG 25 HE ARG 25 -0.819 -8.839 -12.963 775 1HH1 ARG 25 HH1 ARG 25 -0.032 -5.651 -14.245 776 2HH1 ARG 25 HH1 ARG 25 -1.260 -5.718 -15.464 777 1HH2 ARG 25 HH2 ARG 25 -2.492 -8.841 -14.493 778 2HH2 ARG 25 HH2 ARG 25 -2.650 -7.524 -15.608 779 H ILE 26 HN ILE 26 -0.331 -9.269 -8.587 780 HA ILE 26 HA ILE 26 -2.492 -8.008 -7.256 781 HB ILE 26 HB ILE 26 -2.498 -10.066 -8.816 782 1HG1 ILE 26 HG1 ILE 26 -4.453 -9.074 -7.725 783 2HG1 ILE 26 HG1 ILE 26 -4.600 -10.848 -7.877 784 1HG2 ILE 26 HMG ILE 26 -1.829 -11.453 -6.219 785 2HG2 ILE 26 HMG ILE 26 -2.643 -12.260 -7.585 786 3HG2 ILE 26 HMG ILE 26 -1.008 -11.581 -7.797 787 1HD1 ILE 26 HMD ILE 26 -3.613 -10.761 -5.407 788 2HD1 ILE 26 HMD ILE 26 -4.358 -9.141 -5.441 789 3HD1 ILE 26 HMD ILE 26 -5.356 -10.589 -5.740 790 H THR 27 HN THR 27 0.060 -10.204 -6.081 791 HA THR 27 HA THR 27 -0.932 -10.613 -3.527 792 HB THR 27 HB THR 27 1.986 -10.544 -4.479 793 HG1 THR 27 HG1 THR 27 0.824 -11.758 -5.440 794 1HG2 THR 27 HMG THR 27 1.849 -10.303 -2.002 795 2HG2 THR 27 HMG THR 27 0.941 -11.836 -1.949 796 3HG2 THR 27 HMG THR 27 2.620 -11.815 -2.546 797 H LEU 28 HN LEU 28 1.162 -7.988 -4.695 798 HA LEU 28 HA LEU 28 1.253 -6.474 -2.289 799 1HB LEU 28 HBR LEU 28 1.581 -6.013 -5.217 800 2HB LEU 28 HBS LEU 28 1.248 -4.582 -4.206 801 HG LEU 28 HG LEU 28 3.537 -4.579 -4.396 802 1HD1 LEU 28 HMD LEU 28 2.982 -6.187 -1.882 803 2HD1 LEU 28 HMD LEU 28 4.492 -5.314 -2.244 804 3HD1 LEU 28 HMD LEU 28 2.968 -4.412 -2.047 805 1HD2 LEU 28 HMD LEU 28 3.183 -7.539 -4.439 806 2HD2 LEU 28 HMD LEU 28 4.192 -6.478 -5.456 807 3HD2 LEU 28 HMD LEU 28 4.726 -6.907 -3.811 808 H ALA 29 HN ALA 29 -1.079 -6.488 -4.997 809 HA ALA 29 HA ALA 29 -2.804 -4.585 -4.031 810 1HB ALA 29 HMB ALA 29 -2.791 -6.484 -6.104 811 2HB ALA 29 HMB ALA 29 -4.333 -6.710 -5.239 812 3HB ALA 29 HMB ALA 29 -3.899 -5.106 -5.882 813 H LYS 30 HN LYS 30 -2.785 -8.058 -3.254 814 HA LYS 30 HA LYS 30 -4.886 -8.036 -1.411 815 1HB LYS 30 HBR LYS 30 -2.891 -9.859 -2.255 816 2HB LYS 30 HBS LYS 30 -2.800 -9.780 -0.472 817 1HG LYS 30 HGR LYS 30 -4.674 -10.987 -0.245 818 2HG LYS 30 HGS LYS 30 -5.563 -9.939 -1.386 819 1HD LYS 30 HDS LYS 30 -3.643 -11.731 -2.680 820 2HD LYS 30 HDR LYS 30 -4.857 -12.571 -1.755 821 1HE LYS 30 HES LYS 30 -5.777 -10.387 -3.553 822 2HE LYS 30 HER LYS 30 -5.241 -11.934 -4.268 823 1HZ LYS 30 HZB LYS 30 -7.010 -12.184 -2.033 824 2HZ LYS 30 HZC LYS 30 -7.684 -11.477 -3.343 825 3HZ LYS 30 HZA LYS 30 -7.019 -12.964 -3.468 826 H ILE 31 HN ILE 31 -1.434 -7.308 -0.951 827 HA ILE 31 HA ILE 31 -1.538 -7.028 1.924 828 HB ILE 31 HB ILE 31 0.404 -6.181 -0.265 829 1HG1 ILE 31 HG1 ILE 31 1.404 -7.945 1.823 830 2HG1 ILE 31 HG1 ILE 31 -0.101 -8.580 1.100 831 1HG2 ILE 31 HMG ILE 31 0.388 -4.574 1.741 832 2HG2 ILE 31 HMG ILE 31 1.096 -5.933 2.652 833 3HG2 ILE 31 HMG ILE 31 1.942 -5.282 1.224 834 1HD1 ILE 31 HMD ILE 31 1.660 -7.637 -0.976 835 2HD1 ILE 31 HMD ILE 31 2.526 -8.772 0.091 836 3HD1 ILE 31 HMD ILE 31 1.008 -9.273 -0.698 837 H LEU 32 HN LEU 32 -0.869 -4.498 -0.499 838 HA LEU 32 HA LEU 32 -1.231 -2.388 1.153 839 1HB LEU 32 HBR LEU 32 -1.595 -2.708 -1.825 840 2HB LEU 32 HBS LEU 32 -1.656 -1.113 -1.023 841 HG LEU 32 HG LEU 32 0.693 -1.767 -0.113 842 1HD1 LEU 32 HMD LEU 32 0.176 -3.799 -2.248 843 2HD1 LEU 32 HMD LEU 32 1.793 -3.054 -2.158 844 3HD1 LEU 32 HMD LEU 32 1.134 -3.924 -0.751 845 1HD2 LEU 32 HMD LEU 32 0.151 0.047 -1.676 846 2HD2 LEU 32 HMD LEU 32 1.672 -0.766 -2.123 847 3HD2 LEU 32 HMD LEU 32 0.179 -1.111 -3.031 848 H GLU 33 HN GLU 33 -3.756 -4.219 -0.400 849 HA GLU 33 HA GLU 33 -5.912 -2.297 -0.044 850 1HB GLU 33 HBR GLU 33 -5.931 -4.167 -1.639 851 2HB GLU 33 HBS GLU 33 -5.690 -5.254 -0.384 852 1HG GLU 33 HGS GLU 33 -8.089 -4.988 -1.314 853 2HG GLU 33 HGR GLU 33 -7.883 -5.226 0.442 854 H GLU 34 HN GLU 34 -4.973 -5.331 1.643 855 HA GLU 34 HA GLU 34 -6.832 -5.098 3.730 856 1HB GLU 34 HBR GLU 34 -4.119 -6.427 3.579 857 2HB GLU 34 HBS GLU 34 -5.154 -6.563 4.892 858 1HG GLU 34 HGS GLU 34 -6.834 -7.126 2.747 859 2HG GLU 34 HGR GLU 34 -5.358 -8.062 2.387 860 H MET 35 HN MET 35 -3.423 -4.048 3.550 861 HA MET 35 HA MET 35 -3.411 -2.728 6.080 862 1HB MET 35 HBS MET 35 -1.712 -2.182 3.626 863 2HB MET 35 HBR MET 35 -1.372 -1.650 5.293 864 1HG MET 35 HGS MET 35 -1.768 -4.593 4.613 865 2HG MET 35 HGR MET 35 -0.193 -3.799 4.393 866 1HE MET 35 HME MET 35 1.255 -3.266 5.772 867 2HE MET 35 HME MET 35 1.076 -2.663 7.439 868 3HE MET 35 HME MET 35 1.477 -4.374 7.150 869 H GLY 36 HN GLY 36 -4.135 -1.656 2.769 870 1HA GLY 36 HAR GLY 36 -4.347 1.081 3.281 871 2HA GLY 36 HAS GLY 36 -5.178 0.226 1.952 872 H ARG 37 HN ARG 37 -6.818 -1.482 3.478 873 HA ARG 37 HA ARG 37 -9.012 0.171 4.310 874 1HB ARG 37 HBR ARG 37 -8.378 -2.697 4.190 875 2HB ARG 37 HBS ARG 37 -9.386 -2.234 5.592 876 1HG ARG 37 HGS ARG 37 -11.177 -1.649 4.291 877 2HG ARG 37 HGR ARG 37 -10.160 -1.203 2.892 878 1HD ARG 37 HDS ARG 37 -11.360 -3.171 2.336 879 2HD ARG 37 HDR ARG 37 -9.649 -3.615 2.587 880 HE ARG 37 HE ARG 37 -10.339 -5.013 4.270 881 1HH1 ARG 37 HH1 ARG 37 -12.941 -2.730 3.608 882 2HH1 ARG 37 HH1 ARG 37 -13.961 -3.363 4.856 883 1HH2 ARG 37 HH2 ARG 37 -11.647 -5.730 5.976 884 2HH2 ARG 37 HH2 ARG 37 -13.230 -5.062 6.196 885 H ASP 38 HN ASP 38 -6.317 -1.431 5.967 886 HA ASP 38 HA ASP 38 -7.105 -0.871 8.568 887 1HB ASP 38 HBS ASP 38 -4.903 -2.042 7.330 888 2HB ASP 38 HBR ASP 38 -4.239 -0.734 8.351 889 H ILE 39 HN ILE 39 -5.028 1.121 6.452 890 HA ILE 39 HA ILE 39 -4.431 3.046 8.541 891 HB ILE 39 HB ILE 39 -4.195 3.492 5.532 892 1HG1 ILE 39 HG1 ILE 39 -1.957 2.289 7.160 893 2HG1 ILE 39 HG1 ILE 39 -3.233 1.245 6.475 894 1HG2 ILE 39 HMG ILE 39 -3.797 5.414 7.052 895 2HG2 ILE 39 HMG ILE 39 -2.458 4.498 7.794 896 3HG2 ILE 39 HMG ILE 39 -2.380 4.956 6.072 897 1HD1 ILE 39 HMD ILE 39 -2.002 3.176 4.598 898 2HD1 ILE 39 HMD ILE 39 -0.934 1.879 5.198 899 3HD1 ILE 39 HMD ILE 39 -2.457 1.467 4.364 900 H ALA 40 HN ALA 40 -6.975 2.529 6.218 901 HA ALA 40 HA ALA 40 -7.980 5.241 6.093 902 1HB ALA 40 HMB ALA 40 -8.775 2.560 5.169 903 2HB ALA 40 HMB ALA 40 -10.130 3.629 5.612 904 3HB ALA 40 HMB ALA 40 -8.942 4.155 4.392 905 H SER 41 HN SER 41 -9.567 2.366 7.509 906 HA SER 41 HA SER 41 -11.290 3.841 9.078 907 1HB SER 41 HBS SER 41 -11.831 1.600 8.631 908 2HB SER 41 HBR SER 41 -10.327 0.990 9.379 909 HG SER 41 HG SER 41 -11.055 1.135 11.312 910 H GLU 42 HN GLU 42 -7.973 3.149 9.668 911 HA GLU 42 HA GLU 42 -8.115 3.797 12.496 912 1HB GLU 42 HBR GLU 42 -6.014 3.143 10.455 913 2HB GLU 42 HBS GLU 42 -5.559 3.894 11.885 914 1HG GLU 42 HGS GLU 42 -5.384 1.405 11.969 915 2HG GLU 42 HGR GLU 42 -6.269 2.123 13.343 916 H ALA 43 HN ALA 43 -6.758 5.360 9.568 917 HA ALA 43 HA ALA 43 -6.187 7.909 10.764 918 1HB ALA 43 HMB ALA 43 -5.417 6.993 8.515 919 2HB ALA 43 HMB ALA 43 -7.038 7.421 7.910 920 3HB ALA 43 HMB ALA 43 -5.968 8.687 8.563 921 H ILE 44 HN ILE 44 -9.074 6.212 10.018 922 HA ILE 44 HA ILE 44 -10.687 8.642 9.991 923 HB ILE 44 HB ILE 44 -11.293 5.670 9.638 924 1HG1 ILE 44 HG1 ILE 44 -11.570 7.886 7.594 925 2HG1 ILE 44 HG1 ILE 44 -10.006 7.084 7.912 926 1HG2 ILE 44 HMG ILE 44 -13.240 7.980 9.468 927 2HG2 ILE 44 HMG ILE 44 -13.550 6.328 8.875 928 3HG2 ILE 44 HMG ILE 44 -13.277 6.614 10.614 929 1HD1 ILE 44 HMD ILE 44 -11.530 4.908 7.533 930 2HD1 ILE 44 HMD ILE 44 -12.441 6.072 6.534 931 3HD1 ILE 44 HMD ILE 44 -10.714 5.769 6.200 932 H LYS 45 HN LYS 45 -10.631 5.619 11.923 933 HA LYS 45 HA LYS 45 -12.024 6.545 14.173 934 1HB LYS 45 HBR LYS 45 -11.251 4.203 13.800 935 2HB LYS 45 HBS LYS 45 -9.593 4.728 14.207 936 1HG LYS 45 HGR LYS 45 -11.787 5.322 16.163 937 2HG LYS 45 HGS LYS 45 -11.211 3.636 16.022 938 1HD LYS 45 HDS LYS 45 -9.204 4.068 16.921 939 2HD LYS 45 HDR LYS 45 -9.091 5.644 16.187 940 1HE LYS 45 HES LYS 45 -10.821 6.441 17.859 941 2HE LYS 45 HER LYS 45 -10.551 4.884 18.692 942 1HZ LYS 45 HZA LYS 45 -8.236 6.485 18.007 943 2HZ LYS 45 HZB LYS 45 -9.160 6.989 19.256 944 3HZ LYS 45 HZC LYS 45 -8.483 5.502 19.288 945 H LEU 46 HN LEU 46 -8.979 7.524 12.919 946 HA LEU 46 HA LEU 46 -8.011 8.699 15.367 947 1HB LEU 46 HBR LEU 46 -7.257 8.609 12.475 948 2HB LEU 46 HBS LEU 46 -6.547 9.889 13.501 949 HG LEU 46 HG LEU 46 -6.384 7.015 14.353 950 1HD1 LEU 46 HMD LEU 46 -5.008 8.315 12.062 951 2HD1 LEU 46 HMD LEU 46 -3.980 7.398 13.192 952 3HD1 LEU 46 HMD LEU 46 -5.345 6.594 12.378 953 1HD2 LEU 46 HMD LEU 46 -4.711 9.523 14.701 954 2HD2 LEU 46 HMD LEU 46 -5.752 8.741 15.919 955 3HD2 LEU 46 HMD LEU 46 -4.281 7.918 15.342 956 H ALA 47 HN ALA 47 -9.061 10.226 12.296 957 HA ALA 47 HA ALA 47 -9.548 12.784 13.339 958 1HB ALA 47 HMB ALA 47 -9.412 12.284 10.956 959 2HB ALA 47 HMB ALA 47 -10.940 11.371 11.046 960 3HB ALA 47 HMB ALA 47 -10.930 13.126 11.356 961 H ARG 48 HN ARG 48 -11.265 9.847 13.795 962 HA ARG 48 HA ARG 48 -13.836 11.137 14.357 963 1HB ARG 48 HBR ARG 48 -12.836 8.353 14.036 964 2HB ARG 48 HBS ARG 48 -14.183 8.593 15.185 965 1HG ARG 48 HGS ARG 48 -14.835 10.044 12.837 966 2HG ARG 48 HGR ARG 48 -14.238 8.444 12.312 967 1HD ARG 48 HDS ARG 48 -16.153 8.602 14.589 968 2HD ARG 48 HDR ARG 48 -16.759 8.846 12.927 969 HE ARG 48 HE ARG 48 -15.667 6.365 14.069 970 1HH1 ARG 48 HH1 ARG 48 -17.130 8.065 11.349 971 2HH1 ARG 48 HH1 ARG 48 -17.294 6.628 10.397 972 1HH2 ARG 48 HH2 ARG 48 -15.773 4.530 12.743 973 2HH2 ARG 48 HH2 ARG 48 -16.524 4.626 11.184 974 H HIS 49 HN HIS 49 -11.090 9.752 16.067 975 HA HIS 49 HA HIS 49 -12.034 10.110 18.740 976 1HB HIS 49 HBS HIS 49 -9.845 8.981 18.111 977 2HB HIS 49 HBR HIS 49 -9.184 10.609 17.790 978 HD1 HIS 49 HD1 HIS 49 -11.164 9.093 20.752 979 HD2 HIS 49 HD2 HIS 49 -7.841 11.467 19.932 980 HE1 HIS 49 HE1 HIS 49 -10.272 9.849 22.968 981 HE2 HIS 49 HE2 HIS 49 -8.274 11.304 22.479 982 H ALA 50 HN ALA 50 -10.682 12.283 16.293 983 HA ALA 50 HA ALA 50 -11.019 14.726 17.819 984 1HB ALA 50 HMB ALA 50 -10.042 13.987 15.294 985 2HB ALA 50 HMB ALA 50 -11.475 14.998 14.979 986 3HB ALA 50 HMB ALA 50 -10.146 15.625 15.987 987 H GLY 51 HN GLY 51 -12.994 12.788 15.574 988 1HA GLY 51 HAR GLY 51 -15.268 12.548 15.603 989 2HA GLY 51 HAS GLY 51 -15.394 13.951 16.698 990 H ARG 52 HN ARG 52 -13.506 14.595 13.927 991 HA ARG 52 HA ARG 52 -15.312 15.701 12.140 992 1HB ARG 52 HBR ARG 52 -15.835 16.915 14.522 993 2HB ARG 52 HBS ARG 52 -14.629 18.033 13.819 994 1HG ARG 52 HGS ARG 52 -15.993 18.529 11.974 995 2HG ARG 52 HGR ARG 52 -17.036 17.105 12.246 996 1HD ARG 52 HDS ARG 52 -18.282 18.957 12.944 997 2HD ARG 52 HDR ARG 52 -17.689 18.174 14.435 998 HE ARG 52 HE ARG 52 -15.793 20.011 14.110 999 1HH1 ARG 52 HH1 ARG 52 -19.216 20.434 13.374 1000 2HH1 ARG 52 HH1 ARG 52 -19.239 22.080 13.910 1001 1HH2 ARG 52 HH2 ARG 52 -15.899 22.118 14.938 1002 2HH2 ARG 52 HH2 ARG 52 -17.365 23.033 14.801 1003 H LYS 53 HN LYS 53 -14.228 18.266 11.740 1004 HA LYS 53 HA LYS 53 -12.510 19.307 10.678 1005 1HB LYS 53 HBR LYS 53 -11.034 18.682 12.532 1006 2HB LYS 53 HBS LYS 53 -10.692 17.115 11.745 1007 1HG LYS 53 HGR LYS 53 -9.940 18.578 9.717 1008 2HG LYS 53 HGS LYS 53 -9.847 19.895 10.922 1009 1HD LYS 53 HDS LYS 53 -8.317 17.299 10.905 1010 2HD LYS 53 HDR LYS 53 -7.703 18.907 10.638 1011 1HE LYS 53 HES LYS 53 -8.606 19.430 13.010 1012 2HE LYS 53 HER LYS 53 -8.610 17.652 13.185 1013 1HZ LYS 53 HZC LYS 53 -6.267 19.226 12.369 1014 2HZ LYS 53 HZA LYS 53 -6.545 18.715 13.896 1015 3HZ LYS 53 HZB LYS 53 -6.305 17.628 12.701 1016 H THR 54 HN THR 54 -10.923 16.186 10.220 1017 HA THR 54 HA THR 54 -11.866 15.837 7.467 1018 HB THR 54 HB THR 54 -9.246 17.309 8.105 1019 HG1 THR 54 HG1 THR 54 -11.436 17.781 6.568 1020 1HG2 THR 54 HMG THR 54 -10.158 15.997 5.558 1021 2HG2 THR 54 HMG THR 54 -9.108 17.438 5.528 1022 3HG2 THR 54 HMG THR 54 -8.566 15.957 6.359 1023 H ILE 55 HN ILE 55 -10.410 14.364 6.271 1024 HA ILE 55 HA ILE 55 -8.433 12.946 7.981 1025 HB ILE 55 HB ILE 55 -9.879 11.785 5.547 1026 1HG1 ILE 55 HG1 ILE 55 -11.252 12.137 7.660 1027 2HG1 ILE 55 HG1 ILE 55 -11.218 10.485 6.982 1028 1HG2 ILE 55 HMG ILE 55 -7.747 10.683 7.364 1029 2HG2 ILE 55 HMG ILE 55 -8.852 9.619 6.452 1030 3HG2 ILE 55 HMG ILE 55 -7.790 10.759 5.582 1031 1HD1 ILE 55 HMD ILE 55 -9.551 11.447 9.326 1032 2HD1 ILE 55 HMD ILE 55 -11.070 10.517 9.447 1033 3HD1 ILE 55 HMD ILE 55 -9.633 9.786 8.682 1034 H LYS 56 HN LYS 56 -6.388 12.924 7.236 1035 HA LYS 56 HA LYS 56 -5.770 14.379 4.729 1036 1HB LYS 56 HBR LYS 56 -4.440 16.032 5.895 1037 2HB LYS 56 HBS LYS 56 -6.147 16.116 6.418 1038 1HG LYS 56 HGR LYS 56 -5.019 14.397 8.275 1039 2HG LYS 56 HGS LYS 56 -3.708 15.574 7.975 1040 1HD LYS 56 HDS LYS 56 -6.507 16.127 8.943 1041 2HD LYS 56 HDR LYS 56 -5.009 16.300 9.815 1042 1HE LYS 56 HES LYS 56 -5.287 17.849 7.295 1043 2HE LYS 56 HER LYS 56 -6.230 18.357 8.726 1044 1HZ LYS 56 HZB LYS 56 -3.707 17.851 9.623 1045 2HZ LYS 56 HZC LYS 56 -3.482 18.660 8.222 1046 3HZ LYS 56 HZA LYS 56 -4.392 19.318 9.406 1047 H ALA 57 HN ALA 57 -3.262 14.789 4.772 1048 HA ALA 57 HA ALA 57 -2.024 12.321 4.581 1049 1HB ALA 57 HMB ALA 57 -1.403 14.882 3.893 1050 2HB ALA 57 HMB ALA 57 -0.201 14.559 5.169 1051 3HB ALA 57 HMB ALA 57 -0.305 13.485 3.751 1052 H GLU 58 HN GLU 58 -2.609 14.197 7.396 1053 HA GLU 58 HA GLU 58 -0.392 12.989 8.897 1054 1HB GLU 58 HBR GLU 58 -1.666 15.432 8.792 1055 2HB GLU 58 HBS GLU 58 -2.431 14.713 10.102 1056 1HG GLU 58 HGS GLU 58 -0.312 16.136 10.552 1057 2HG GLU 58 HGR GLU 58 -0.576 14.664 11.526 1058 H ASP 59 HN ASP 59 -3.900 12.827 8.644 1059 HA ASP 59 HA ASP 59 -4.253 11.039 10.897 1060 1HB ASP 59 HBS ASP 59 -5.950 12.225 8.835 1061 2HB ASP 59 HBR ASP 59 -6.364 10.535 9.244 1062 H ILE 60 HN ILE 60 -3.538 10.766 7.460 1063 HA ILE 60 HA ILE 60 -3.245 7.890 7.430 1064 HB ILE 60 HB ILE 60 -2.312 10.212 5.709 1065 1HG1 ILE 60 HG1 ILE 60 -3.713 9.249 4.044 1066 2HG1 ILE 60 HG1 ILE 60 -3.904 7.736 4.976 1067 1HG2 ILE 60 HMG ILE 60 -1.262 7.404 5.566 1068 2HG2 ILE 60 HMG ILE 60 -1.482 8.382 4.089 1069 3HG2 ILE 60 HMG ILE 60 -0.406 8.959 5.390 1070 1HD1 ILE 60 HMD ILE 60 -5.127 9.059 6.721 1071 2HD1 ILE 60 HMD ILE 60 -5.068 10.461 5.621 1072 3HD1 ILE 60 HMD ILE 60 -5.942 8.984 5.137 1073 H GLU 61 HN GLU 61 -0.796 10.521 7.550 1074 HA GLU 61 HA GLU 61 1.337 8.829 7.868 1075 1HB GLU 61 HBR GLU 61 0.824 11.696 8.602 1076 2HB GLU 61 HBS GLU 61 2.255 10.969 9.089 1077 1HG GLU 61 HGS GLU 61 1.888 10.275 6.352 1078 2HG GLU 61 HGR GLU 61 1.787 12.052 6.478 1079 H LEU 62 HN LEU 62 -0.796 10.098 10.355 1080 HA LEU 62 HA LEU 62 0.698 8.917 12.523 1081 1HB LEU 62 HBR LEU 62 -0.866 10.968 12.438 1082 2HB LEU 62 HBS LEU 62 -2.191 9.779 12.586 1083 HG LEU 62 HG LEU 62 -0.839 8.988 14.689 1084 1HD1 LEU 62 HMD LEU 62 1.016 10.670 14.085 1085 2HD1 LEU 62 HMD LEU 62 -0.109 11.918 14.678 1086 3HD1 LEU 62 HMD LEU 62 0.445 10.627 15.773 1087 1HD2 LEU 62 HMD LEU 62 -2.904 10.948 14.130 1088 2HD2 LEU 62 HMD LEU 62 -2.802 9.742 15.437 1089 3HD2 LEU 62 HMD LEU 62 -2.036 11.339 15.637 1090 H ALA 63 HN ALA 63 -2.275 8.067 10.742 1091 HA ALA 63 HA ALA 63 -2.915 5.716 12.059 1092 1HB ALA 63 HMB ALA 63 -3.176 6.408 9.121 1093 2HB ALA 63 HMB ALA 63 -3.989 5.042 9.927 1094 3HB ALA 63 HMB ALA 63 -4.360 6.715 10.416 1095 H VAL 64 HN VAL 64 -0.613 6.205 9.385 1096 HA VAL 64 HA VAL 64 -0.221 3.412 9.193 1097 HB VAL 64 HB VAL 64 0.015 5.683 7.619 1098 1HG1 VAL 64 HMG VAL 64 2.738 4.375 7.789 1099 2HG1 VAL 64 HMG VAL 64 2.157 5.225 6.338 1100 3HG1 VAL 64 HMG VAL 64 2.305 6.098 7.881 1101 1HG2 VAL 64 HMG VAL 64 -0.258 2.857 7.334 1102 2HG2 VAL 64 HMG VAL 64 -0.767 4.177 6.253 1103 3HG2 VAL 64 HMG VAL 64 0.856 3.464 6.085 1104 H ARG 65 HN ARG 65 1.972 6.031 10.256 1105 HA ARG 65 HA ARG 65 4.010 4.354 11.234 1106 1HB ARG 65 HBR ARG 65 3.535 7.087 11.145 1107 2HB ARG 65 HBS ARG 65 3.570 6.718 12.894 1108 1HG ARG 65 HGS ARG 65 5.786 6.123 12.868 1109 2HG ARG 65 HGR ARG 65 5.744 5.608 11.157 1110 1HD ARG 65 HDS ARG 65 7.052 7.601 11.359 1111 2HD ARG 65 HDR ARG 65 5.534 7.970 10.494 1112 HE ARG 65 HE ARG 65 4.769 8.736 12.865 1113 1HH1 ARG 65 HH1 ARG 65 7.893 9.270 11.322 1114 2HH1 ARG 65 HH1 ARG 65 8.295 10.605 12.349 1115 1HH2 ARG 65 HH2 ARG 65 5.385 10.403 14.273 1116 2HH2 ARG 65 HH2 ARG 65 6.876 11.247 14.018 1117 H ARG 66 HN ARG 66 0.843 5.032 12.465 1118 HA ARG 66 HA ARG 66 1.303 4.384 15.253 1119 1HB ARG 66 HBR ARG 66 -0.685 5.627 14.576 1120 2HB ARG 66 HBS ARG 66 -1.221 4.253 13.567 1121 1HG ARG 66 HGS ARG 66 -2.368 3.501 15.317 1122 2HG ARG 66 HGR ARG 66 -0.815 3.195 16.145 1123 1HD ARG 66 HDS ARG 66 -1.299 5.948 16.368 1124 2HD ARG 66 HDR ARG 66 -2.854 5.138 16.706 1125 HE ARG 66 HE ARG 66 -1.977 4.464 18.716 1126 1HH1 ARG 66 HH1 ARG 66 0.693 5.419 16.619 1127 2HH1 ARG 66 HH1 ARG 66 1.902 5.010 17.790 1128 1HH2 ARG 66 HH2 ARG 66 -0.363 3.826 20.174 1129 2HH2 ARG 66 HH2 ARG 66 1.305 4.111 19.803 1130 H PHE 67 HN PHE 67 0.188 2.604 12.358 1131 HA PHE 67 HA PHE 67 0.444 -0.021 13.423 1132 1HB PHE 67 HBR PHE 67 1.228 0.740 10.584 1133 2HB PHE 67 HBS PHE 67 0.657 -0.839 11.199 1134 HD1 PHE 67 HD1 PHE 67 -1.601 -0.421 12.665 1135 HD2 PHE 67 HD2 PHE 67 -0.449 1.629 9.112 1136 HE1 PHE 67 HE1 PHE 67 -3.945 0.196 12.286 1137 HE2 PHE 67 HE2 PHE 67 -2.794 2.333 8.753 1138 HZ PHE 67 HZ PHE 67 -4.558 1.492 10.279 1139 H LYS 68 HN LYS 68 2.808 1.895 11.525 1140 HA LYS 68 HA LYS 68 4.837 -0.093 11.795 1141 1HB LYS 68 HBR LYS 68 4.550 1.717 9.978 1142 2HB LYS 68 HBS LYS 68 5.377 2.803 11.131 1143 1HG LYS 68 HGR LYS 68 7.226 2.084 10.017 1144 2HG LYS 68 HGS LYS 68 7.101 0.722 11.166 1145 1HD LYS 68 HDS LYS 68 5.657 -0.418 9.396 1146 2HD LYS 68 HDR LYS 68 6.202 0.827 8.304 1147 1HE LYS 68 HES LYS 68 7.808 -1.335 9.611 1148 2HE LYS 68 HER LYS 68 7.652 -0.902 7.885 1149 1HZ LYS 68 HZB LYS 68 8.735 1.251 8.616 1150 2HZ LYS 68 HZC LYS 68 9.182 0.456 9.971 1151 3HZ LYS 68 HZA LYS 68 9.686 -0.073 8.511 1152 H LYS 69 HN LYS 69 5.508 -0.576 13.789 1153 HA LYS 69 HA LYS 69 7.534 0.963 14.924 1154 1HB LYS 69 HBR LYS 69 6.332 1.324 17.217 1155 2HB LYS 69 HBS LYS 69 6.219 2.551 15.923 1156 1HG LYS 69 HGR LYS 69 4.001 1.616 15.279 1157 2HG LYS 69 HGS LYS 69 4.112 0.481 16.655 1158 1HD LYS 69 HDS LYS 69 4.495 3.341 17.295 1159 2HD LYS 69 HDR LYS 69 2.913 2.901 16.713 1160 1HE LYS 69 HES LYS 69 2.709 2.681 19.005 1161 2HE LYS 69 HER LYS 69 2.964 1.012 18.421 1162 1HZ LYS 69 HZB LYS 69 5.383 1.503 18.904 1163 2HZ LYS 69 HZC LYS 69 4.855 2.764 19.796 1164 3HZ LYS 69 HZA LYS 69 4.402 1.244 20.182 No H/Q in entry = 1164 Start of MODEL 3 Raw file had 1198 H/Q atoms Start of MODEL 3 1 1H MET 1 HN MET 1 3.680 5.915 -10.291 2 2H MET 1 HNB MET 1 3.230 6.306 -11.812 3 3H MET 1 HNC MET 1 4.802 6.392 -11.378 4 HA MET 1 HA MET 1 4.366 8.123 -9.831 5 1HB MET 1 HBS MET 1 3.360 8.639 -12.648 6 2HB MET 1 HBR MET 1 3.832 9.896 -11.470 7 1HG MET 1 HGS MET 1 6.124 9.003 -11.405 8 2HG MET 1 HGR MET 1 5.649 7.679 -12.497 9 1HE MET 1 HME MET 1 7.375 10.444 -12.063 10 2HE MET 1 HME MET 1 7.823 10.922 -13.720 11 3HE MET 1 HME MET 1 6.608 11.863 -12.819 12 H GLU 2 HN GLU 2 2.947 8.196 -8.242 13 HA GLU 2 HA GLU 2 1.040 8.745 -7.092 14 1HB GLU 2 HBR GLU 2 0.809 10.134 -9.726 15 2HB GLU 2 HBS GLU 2 -0.585 9.988 -8.803 16 1HG GLU 2 HGS GLU 2 -0.075 11.786 -7.666 17 2HG GLU 2 HGR GLU 2 1.212 10.867 -6.840 18 H LEU 3 HN LEU 3 -0.110 7.053 -6.537 19 HA LEU 3 HA LEU 3 -1.641 5.383 -8.304 20 1HB LEU 3 HBR LEU 3 -2.326 5.789 -5.416 21 2HB LEU 3 HBS LEU 3 -2.282 4.291 -6.386 22 HG LEU 3 HG LEU 3 0.105 5.790 -5.274 23 1HD1 LEU 3 HMD LEU 3 -1.371 3.274 -4.491 24 2HD1 LEU 3 HMD LEU 3 0.337 3.537 -4.056 25 3HD1 LEU 3 HMD LEU 3 -0.913 4.667 -3.477 26 1HD2 LEU 3 HMD LEU 3 -0.025 4.276 -7.556 27 2HD2 LEU 3 HMD LEU 3 1.426 4.482 -6.543 28 3HD2 LEU 3 HMD LEU 3 0.384 3.052 -6.328 29 HA PRO 4 HA PRO 4 -5.345 7.789 -8.753 30 1HB PRO 4 HBR PRO 4 -6.878 5.736 -9.486 31 2HB PRO 4 HBS PRO 4 -6.018 6.667 -10.532 32 1HG PRO 4 HGS PRO 4 -5.540 4.042 -9.788 33 2HG PRO 4 HGR PRO 4 -4.878 4.890 -11.063 34 1HD PRO 4 HDR PRO 4 -3.684 4.304 -8.664 35 2HD PRO 4 HDS PRO 4 -3.031 5.159 -9.920 36 H ILE 5 HN ILE 5 -7.010 8.401 -7.542 37 HA ILE 5 HA ILE 5 -7.109 6.946 -4.994 38 HB ILE 5 HB ILE 5 -7.917 9.087 -4.083 39 1HG1 ILE 5 HG1 ILE 5 -7.814 11.085 -5.823 40 2HG1 ILE 5 HG1 ILE 5 -8.162 9.785 -6.997 41 1HG2 ILE 5 HMG ILE 5 -5.379 8.644 -5.181 42 2HG2 ILE 5 HMG ILE 5 -5.803 10.324 -5.604 43 3HG2 ILE 5 HMG ILE 5 -5.829 9.801 -3.900 44 1HD1 ILE 5 HMD ILE 5 -9.951 9.525 -4.775 45 2HD1 ILE 5 HMD ILE 5 -9.979 11.213 -5.350 46 3HD1 ILE 5 HMD ILE 5 -10.319 9.879 -6.484 47 H ALA 6 HN ALA 6 -8.760 6.393 -7.564 48 HA ALA 6 HA ALA 6 -11.510 6.644 -6.558 49 1HB ALA 6 HMB ALA 6 -10.176 5.809 -9.068 50 2HB ALA 6 HMB ALA 6 -11.667 4.931 -8.643 51 3HB ALA 6 HMB ALA 6 -11.693 6.706 -8.807 52 HA PRO 7 HA PRO 7 -10.614 1.920 -6.061 53 1HB PRO 7 HBR PRO 7 -7.996 1.286 -6.253 54 2HB PRO 7 HBS PRO 7 -9.155 0.901 -7.349 55 1HG PRO 7 HGS PRO 7 -7.175 2.849 -7.540 56 2HG PRO 7 HGR PRO 7 -8.079 2.165 -8.765 57 1HD PRO 7 HDS PRO 7 -8.428 4.639 -7.795 58 2HD PRO 7 HDR PRO 7 -9.523 3.818 -8.724 59 H ILE 8 HN ILE 8 -7.943 3.880 -5.031 60 HA ILE 8 HA ILE 8 -7.734 2.888 -2.410 61 HB ILE 8 HB ILE 8 -7.254 5.710 -3.485 62 1HG1 ILE 8 HG1 ILE 8 -5.486 3.258 -3.216 63 2HG1 ILE 8 HG1 ILE 8 -5.962 4.120 -4.706 64 1HG2 ILE 8 HMG ILE 8 -7.459 5.726 -1.044 65 2HG2 ILE 8 HMG ILE 8 -6.202 4.465 -0.935 66 3HG2 ILE 8 HMG ILE 8 -5.794 6.077 -1.580 67 1HD1 ILE 8 HMD ILE 8 -4.709 6.135 -3.568 68 2HD1 ILE 8 HMD ILE 8 -3.905 4.835 -2.648 69 3HD1 ILE 8 HMD ILE 8 -3.805 4.861 -4.429 70 H GLY 9 HN GLY 9 -9.895 5.334 -3.805 71 1HA GLY 9 HAR GLY 9 -11.045 6.327 -1.499 72 2HA GLY 9 HAS GLY 9 -11.898 6.207 -3.061 73 H ARG 10 HN ARG 10 -12.106 3.496 -3.419 74 HA ARG 10 HA ARG 10 -14.384 3.067 -1.701 75 1HB ARG 10 HBS ARG 10 -14.710 1.026 -3.143 76 2HB ARG 10 HBR ARG 10 -14.704 2.599 -3.991 77 1HG ARG 10 HGS ARG 10 -12.298 2.150 -4.598 78 2HG ARG 10 HGR ARG 10 -12.514 0.501 -3.946 79 1HD ARG 10 HDS ARG 10 -14.660 1.227 -5.738 80 2HD ARG 10 HDR ARG 10 -13.064 1.398 -6.522 81 HE ARG 10 HE ARG 10 -14.158 -1.102 -5.339 82 1HH1 ARG 10 HH1 ARG 10 -11.626 0.532 -7.170 83 2HH1 ARG 10 HH1 ARG 10 -11.112 -0.918 -7.963 84 1HH2 ARG 10 HH2 ARG 10 -13.531 -2.958 -6.480 85 2HH2 ARG 10 HH2 ARG 10 -12.183 -2.896 -7.567 86 H ILE 11 HN ILE 11 -11.122 1.954 -1.779 87 HA ILE 11 HA ILE 11 -11.367 -0.317 -0.023 88 HB ILE 11 HB ILE 11 -9.133 1.712 -0.504 89 1HG1 ILE 11 HG1 ILE 11 -9.388 -1.179 -1.414 90 2HG1 ILE 11 HG1 ILE 11 -9.872 0.235 -2.393 91 1HG2 ILE 11 HMG ILE 11 -8.911 0.731 1.741 92 2HG2 ILE 11 HMG ILE 11 -8.934 -0.897 1.015 93 3HG2 ILE 11 HMG ILE 11 -7.604 0.228 0.636 94 1HD1 ILE 11 HMD ILE 11 -7.405 1.011 -1.964 95 2HD1 ILE 11 HMD ILE 11 -7.131 -0.719 -1.625 96 3HD1 ILE 11 HMD ILE 11 -7.762 -0.210 -3.214 97 H ILE 12 HN ILE 12 -11.145 3.204 0.402 98 HA ILE 12 HA ILE 12 -10.803 2.882 3.241 99 HB ILE 12 HB ILE 12 -10.782 5.243 1.320 100 1HG1 ILE 12 HG1 ILE 12 -8.760 3.515 2.738 101 2HG1 ILE 12 HG1 ILE 12 -8.929 3.883 1.002 102 1HG2 ILE 12 HMG ILE 12 -11.041 5.348 4.218 103 2HG2 ILE 12 HMG ILE 12 -9.580 6.184 3.629 104 3HG2 ILE 12 HMG ILE 12 -11.183 6.638 2.997 105 1HD1 ILE 12 HMD ILE 12 -8.110 6.178 1.432 106 2HD1 ILE 12 HMD ILE 12 -7.896 5.765 3.152 107 3HD1 ILE 12 HMD ILE 12 -6.933 4.927 1.908 108 H LYS 13 HN LYS 13 -13.470 3.581 1.143 109 HA LYS 13 HA LYS 13 -15.297 4.547 3.222 110 1HB LYS 13 HBS LYS 13 -15.707 4.811 0.731 111 2HB LYS 13 HBR LYS 13 -15.968 3.046 0.669 112 1HG LYS 13 HGR LYS 13 -17.994 3.165 1.735 113 2HG LYS 13 HGS LYS 13 -17.546 4.619 2.671 114 1HD LYS 13 HDS LYS 13 -18.122 6.066 1.025 115 2HD LYS 13 HDR LYS 13 -17.749 4.941 -0.252 116 1HE LYS 13 HES LYS 13 -19.859 4.340 -0.462 117 2HE LYS 13 HER LYS 13 -19.934 3.909 1.271 118 1HZ LYS 13 HZB LYS 13 -19.972 6.700 0.886 119 2HZ LYS 13 HZC LYS 13 -21.191 5.991 0.062 120 3HZ LYS 13 HZA LYS 13 -21.043 5.748 1.670 121 H ASP 14 HN ASP 14 -14.451 1.465 1.611 122 HA ASP 14 HA ASP 14 -15.774 -0.234 3.254 123 1HB ASP 14 HBS ASP 14 -14.498 -0.779 1.183 124 2HB ASP 14 HBR ASP 14 -13.022 -0.819 2.190 125 H ALA 15 HN ALA 15 -12.634 1.265 3.867 126 HA ALA 15 HA ALA 15 -11.973 0.201 6.310 127 1HB ALA 15 HMB ALA 15 -10.895 2.075 4.845 128 2HB ALA 15 HMB ALA 15 -11.823 3.168 5.906 129 3HB ALA 15 HMB ALA 15 -10.625 2.050 6.606 130 H GLY 16 HN GLY 16 -14.307 2.805 5.668 131 1HA GLY 16 HAR GLY 16 -16.197 2.856 7.299 132 2HA GLY 16 HAS GLY 16 -14.966 2.916 8.587 133 H ALA 17 HN ALA 17 -14.242 4.598 5.651 134 HA ALA 17 HA ALA 17 -14.049 7.063 6.898 135 1HB ALA 17 HMB ALA 17 -13.867 6.000 4.137 136 2HB ALA 17 HMB ALA 17 -14.071 7.763 4.300 137 3HB ALA 17 HMB ALA 17 -12.700 6.948 5.095 138 H GLU 18 HN GLU 18 -15.342 8.721 7.263 139 HA GLU 18 HA GLU 18 -18.055 8.727 6.002 140 1HB GLU 18 HBR GLU 18 -17.190 10.004 8.599 141 2HB GLU 18 HBS GLU 18 -18.719 10.014 7.908 142 1HG GLU 18 HGS GLU 18 -19.117 7.705 8.152 143 2HG GLU 18 HGR GLU 18 -17.450 7.358 8.689 144 H ARG 19 HN ARG 19 -15.099 10.451 6.828 145 HA ARG 19 HA ARG 19 -15.549 12.258 4.563 146 1HB ARG 19 HBR ARG 19 -15.796 13.112 7.397 147 2HB ARG 19 HBS ARG 19 -14.770 14.128 6.344 148 1HG ARG 19 HGS ARG 19 -17.469 13.353 5.324 149 2HG ARG 19 HGR ARG 19 -17.391 14.552 6.647 150 1HD ARG 19 HDS ARG 19 -16.710 16.139 5.276 151 2HD ARG 19 HDR ARG 19 -15.422 15.099 4.607 152 HE ARG 19 HE ARG 19 -18.121 15.497 3.516 153 1HH1 ARG 19 HH1 ARG 19 -14.945 13.987 3.264 154 2HH1 ARG 19 HH1 ARG 19 -15.268 13.315 1.701 155 1HH2 ARG 19 HH2 ARG 19 -18.553 14.494 1.529 156 2HH2 ARG 19 HH2 ARG 19 -17.309 13.602 0.718 157 H VAL 20 HN VAL 20 -13.747 11.760 3.528 158 HA VAL 20 HA VAL 20 -11.195 12.291 4.961 159 HB VAL 20 HB VAL 20 -11.541 10.469 2.577 160 1HG1 VAL 20 HMG VAL 20 -9.226 11.337 4.223 161 2HG1 VAL 20 HMG VAL 20 -9.279 9.626 3.736 162 3HG1 VAL 20 HMG VAL 20 -9.323 10.906 2.499 163 1HG2 VAL 20 HMG VAL 20 -12.667 9.794 4.851 164 2HG2 VAL 20 HMG VAL 20 -11.740 8.610 3.897 165 3HG2 VAL 20 HMG VAL 20 -10.995 9.391 5.312 166 H SER 21 HN SER 21 -9.993 13.877 4.246 167 HA SER 21 HA SER 21 -10.701 15.463 1.944 168 1HB SER 21 HBS SER 21 -8.886 16.815 2.457 169 2HB SER 21 HBR SER 21 -9.466 16.238 4.047 170 HG SER 21 HG SER 21 -7.205 16.245 3.905 171 H ASP 22 HN ASP 22 -9.448 15.777 0.064 172 HA ASP 22 HA ASP 22 -8.449 13.444 -1.205 173 1HB ASP 22 HBS ASP 22 -7.679 16.200 -2.087 174 2HB ASP 22 HBR ASP 22 -8.010 14.729 -3.047 175 H ASP 23 HN ASP 23 -6.894 16.029 0.625 176 HA ASP 23 HA ASP 23 -4.252 15.255 0.233 177 1HB ASP 23 HBS ASP 23 -5.698 16.837 2.256 178 2HB ASP 23 HBR ASP 23 -4.106 16.187 2.743 179 H ALA 24 HN ALA 24 -6.551 14.102 2.695 180 HA ALA 24 HA ALA 24 -4.787 12.466 4.086 181 1HB ALA 24 HMB ALA 24 -7.685 12.789 3.850 182 2HB ALA 24 HMB ALA 24 -7.191 11.130 4.271 183 3HB ALA 24 HMB ALA 24 -6.663 12.500 5.281 184 H ARG 25 HN ARG 25 -7.010 11.531 1.436 185 HA ARG 25 HA ARG 25 -6.208 8.782 1.601 186 1HB ARG 25 HBR ARG 25 -7.581 8.676 -0.603 187 2HB ARG 25 HBS ARG 25 -8.402 9.016 0.948 188 1HG ARG 25 HGS ARG 25 -8.699 11.295 0.416 189 2HG ARG 25 HGR ARG 25 -7.526 11.222 -0.928 190 1HD ARG 25 HDS ARG 25 -8.989 10.192 -2.336 191 2HD ARG 25 HDR ARG 25 -9.924 9.455 -1.005 192 HE ARG 25 HE ARG 25 -10.401 12.127 -0.694 193 1HH1 ARG 25 HH1 ARG 25 -10.895 9.761 -3.260 194 2HH1 ARG 25 HH1 ARG 25 -12.111 10.708 -4.049 195 1HH2 ARG 25 HH2 ARG 25 -11.907 13.391 -1.820 196 2HH2 ARG 25 HH2 ARG 25 -12.686 12.762 -3.233 197 H ILE 26 HN ILE 26 -5.016 11.519 -0.103 198 HA ILE 26 HA ILE 26 -3.552 9.871 -2.043 199 HB ILE 26 HB ILE 26 -3.674 12.892 -1.583 200 1HG1 ILE 26 HG1 ILE 26 -4.861 11.365 -3.912 201 2HG1 ILE 26 HG1 ILE 26 -5.739 11.538 -2.366 202 1HG2 ILE 26 HMG ILE 26 -2.289 11.295 -3.739 203 2HG2 ILE 26 HMG ILE 26 -2.690 13.025 -3.897 204 3HG2 ILE 26 HMG ILE 26 -1.583 12.479 -2.609 205 1HD1 ILE 26 HMD ILE 26 -4.768 14.110 -3.206 206 2HD1 ILE 26 HMD ILE 26 -5.658 13.337 -4.545 207 3HD1 ILE 26 HMD ILE 26 -6.446 13.557 -2.960 208 H THR 27 HN THR 27 -3.009 11.736 0.899 209 HA THR 27 HA THR 27 -0.168 11.453 1.055 210 HB THR 27 HB THR 27 -2.332 11.707 3.215 211 HG1 THR 27 HG1 THR 27 -2.183 13.472 2.901 212 1HG2 THR 27 HMG THR 27 0.096 10.687 3.807 213 2HG2 THR 27 HMG THR 27 0.460 12.429 3.893 214 3HG2 THR 27 HMG THR 27 -0.836 11.738 4.903 215 H LEU 28 HN LEU 28 -2.910 9.361 1.852 216 HA LEU 28 HA LEU 28 -1.438 7.094 2.788 217 1HB LEU 28 HBR LEU 28 -4.032 7.818 2.530 218 2HB LEU 28 HBS LEU 28 -3.865 6.775 1.096 219 HG LEU 28 HG LEU 28 -3.635 4.853 2.324 220 1HD1 LEU 28 HMD LEU 28 -2.292 6.560 4.280 221 2HD1 LEU 28 HMD LEU 28 -3.442 5.425 5.030 222 3HD1 LEU 28 HMD LEU 28 -2.140 4.810 3.979 223 1HD2 LEU 28 HMD LEU 28 -5.728 6.552 2.828 224 2HD2 LEU 28 HMD LEU 28 -5.648 4.833 3.292 225 3HD2 LEU 28 HMD LEU 28 -5.208 6.095 4.471 226 H ALA 29 HN ALA 29 -2.630 8.029 -0.455 227 HA ALA 29 HA ALA 29 -1.629 5.889 -1.850 228 1HB ALA 29 HMB ALA 29 -3.002 8.140 -2.484 229 2HB ALA 29 HMB ALA 29 -1.446 8.461 -3.290 230 3HB ALA 29 HMB ALA 29 -2.356 6.978 -3.670 231 H LYS 30 HN LYS 30 0.081 8.849 -0.930 232 HA LYS 30 HA LYS 30 2.465 8.151 -2.340 233 1HB LYS 30 HBR LYS 30 1.615 10.467 -1.542 234 2HB LYS 30 HBS LYS 30 2.390 10.038 0.009 235 1HG LYS 30 HGR LYS 30 4.457 9.506 -1.591 236 2HG LYS 30 HGS LYS 30 3.624 10.680 -2.648 237 1HD LYS 30 HDS LYS 30 4.156 11.322 0.233 238 2HD LYS 30 HDR LYS 30 5.429 11.447 -0.950 239 1HE LYS 30 HES LYS 30 4.445 13.177 -2.096 240 2HE LYS 30 HER LYS 30 2.810 12.745 -1.519 241 1HZ LYS 30 HZC LYS 30 4.766 13.564 0.450 242 2HZ LYS 30 HZA LYS 30 4.144 14.726 -0.514 243 3HZ LYS 30 HZB LYS 30 3.153 13.818 0.413 244 H ILE 31 HN ILE 31 1.409 7.858 1.038 245 HA ILE 31 HA ILE 31 3.845 6.795 2.119 246 HB ILE 31 HB ILE 31 0.910 6.816 2.899 247 1HG1 ILE 31 HG1 ILE 31 3.208 7.892 4.519 248 2HG1 ILE 31 HG1 ILE 31 2.667 8.750 3.047 249 1HG2 ILE 31 HMG ILE 31 3.075 5.242 4.281 250 2HG2 ILE 31 HMG ILE 31 1.691 5.928 5.173 251 3HG2 ILE 31 HMG ILE 31 1.413 4.759 3.855 252 1HD1 ILE 31 HMD ILE 31 0.405 8.923 3.983 253 2HD1 ILE 31 HMD ILE 31 0.949 8.075 5.456 254 3HD1 ILE 31 HMD ILE 31 1.615 9.680 5.053 255 H LEU 32 HN LEU 32 0.776 5.067 1.513 256 HA LEU 32 HA LEU 32 1.809 2.578 1.846 257 1HB LEU 32 HBS LEU 32 -0.575 3.489 1.704 258 2HB LEU 32 HBR LEU 32 -0.467 3.165 -0.050 259 HG LEU 32 HG LEU 32 0.232 0.876 1.665 260 1HD1 LEU 32 HMD LEU 32 -2.157 2.409 2.216 261 2HD1 LEU 32 HMD LEU 32 -2.581 0.814 1.543 262 3HD1 LEU 32 HMD LEU 32 -1.557 0.924 2.996 263 1HD2 LEU 32 HMD LEU 32 -1.216 1.562 -0.859 264 2HD2 LEU 32 HMD LEU 32 0.054 0.351 -0.556 265 3HD2 LEU 32 HMD LEU 32 -1.623 0.030 -0.047 266 H GLU 33 HN GLU 33 1.763 4.443 -1.146 267 HA GLU 33 HA GLU 33 2.544 2.402 -2.945 268 1HB GLU 33 HBR GLU 33 1.730 4.607 -3.567 269 2HB GLU 33 HBS GLU 33 3.007 5.342 -2.765 270 1HG GLU 33 HGS GLU 33 4.044 3.492 -4.729 271 2HG GLU 33 HGR GLU 33 3.040 4.740 -5.516 272 H GLU 34 HN GLU 34 4.555 4.791 -1.165 273 HA GLU 34 HA GLU 34 7.047 3.775 -2.064 274 1HB GLU 34 HBS GLU 34 6.694 5.939 -1.209 275 2HB GLU 34 HBR GLU 34 6.120 5.424 0.282 276 1HG GLU 34 HGS GLU 34 8.313 4.715 0.986 277 2HG GLU 34 HGR GLU 34 8.972 4.756 -0.671 278 H MET 35 HN MET 35 4.815 2.691 0.360 279 HA MET 35 HA MET 35 6.551 0.737 1.626 280 1HB MET 35 HBR MET 35 3.800 1.525 1.800 281 2HB MET 35 HBS MET 35 3.876 -0.217 1.431 282 1HG MET 35 HGS MET 35 3.975 -0.176 3.790 283 2HG MET 35 HGR MET 35 5.675 -0.342 3.293 284 1HE MET 35 HME MET 35 7.463 1.208 3.856 285 2HE MET 35 HME MET 35 6.924 2.281 2.539 286 3HE MET 35 HME MET 35 7.322 2.963 4.137 287 H GLY 36 HN GLY 36 4.277 0.788 -1.126 288 1HA GLY 36 HAR GLY 36 4.597 -1.815 -1.998 289 2HA GLY 36 HAS GLY 36 4.206 -0.447 -3.073 290 H ARG 37 HN ARG 37 6.506 1.059 -2.960 291 HA ARG 37 HA ARG 37 8.082 -0.330 -4.937 292 1HB ARG 37 HBS ARG 37 9.415 1.618 -5.067 293 2HB ARG 37 HBR ARG 37 7.723 2.155 -4.862 294 1HG ARG 37 HGS ARG 37 8.242 2.476 -2.409 295 2HG ARG 37 HGR ARG 37 9.961 2.224 -2.824 296 1HD ARG 37 HDS ARG 37 8.104 4.363 -3.860 297 2HD ARG 37 HDR ARG 37 9.507 4.566 -2.772 298 HE ARG 37 HE ARG 37 9.555 4.222 -5.671 299 1HH1 ARG 37 HH1 ARG 37 11.369 4.404 -2.654 300 2HH1 ARG 37 HH1 ARG 37 12.903 4.477 -3.454 301 1HH2 ARG 37 HH2 ARG 37 11.586 4.192 -6.678 302 2HH2 ARG 37 HH2 ARG 37 13.027 4.358 -5.731 303 H ASP 38 HN ASP 38 8.369 0.322 -1.479 304 HA ASP 38 HA ASP 38 10.836 -0.861 -1.008 305 1HB ASP 38 HBS ASP 38 9.142 0.305 0.579 306 2HB ASP 38 HBR ASP 38 8.594 -1.366 0.897 307 H ILE 39 HN ILE 39 7.657 -2.477 -1.208 308 HA ILE 39 HA ILE 39 8.697 -5.073 -0.577 309 HB ILE 39 HB ILE 39 6.190 -4.696 -2.247 310 1HG1 ILE 39 HG1 ILE 39 6.502 -3.915 0.673 311 2HG1 ILE 39 HG1 ILE 39 5.955 -2.904 -0.693 312 1HG2 ILE 39 HMG ILE 39 6.995 -6.950 -1.581 313 2HG2 ILE 39 HMG ILE 39 6.716 -6.495 0.121 314 3HG2 ILE 39 HMG ILE 39 5.347 -6.550 -1.022 315 1HD1 ILE 39 HMD ILE 39 4.273 -5.247 -0.393 316 2HD1 ILE 39 HMD ILE 39 4.362 -4.310 1.123 317 3HD1 ILE 39 HMD ILE 39 3.843 -3.515 -0.389 318 H ALA 40 HN ALA 40 8.389 -3.203 -3.524 319 HA ALA 40 HA ALA 40 8.435 -5.386 -5.392 320 1HB ALA 40 HMB ALA 40 8.401 -2.489 -5.447 321 2HB ALA 40 HMB ALA 40 9.558 -3.147 -6.631 322 3HB ALA 40 HMB ALA 40 7.854 -3.670 -6.664 323 H SER 41 HN SER 41 10.961 -2.927 -4.719 324 HA SER 41 HA SER 41 12.972 -4.375 -6.091 325 1HB SER 41 HBR SER 41 12.892 -1.875 -5.456 326 2HB SER 41 HBS SER 41 13.591 -2.407 -3.899 327 HG SER 41 HG SER 41 15.421 -2.949 -4.707 328 H GLU 42 HN GLU 42 11.968 -4.320 -2.705 329 HA GLU 42 HA GLU 42 13.941 -6.028 -1.614 330 1HB GLU 42 HBR GLU 42 11.010 -5.568 -1.066 331 2HB GLU 42 HBS GLU 42 11.899 -6.719 -0.229 332 1HG GLU 42 HGR GLU 42 11.760 -4.342 0.896 333 2HG GLU 42 HGS GLU 42 13.271 -5.293 0.887 334 H ALA 43 HN ALA 43 10.740 -6.808 -3.046 335 HA ALA 43 HA ALA 43 11.112 -9.649 -2.826 336 1HB ALA 43 HMB ALA 43 8.924 -8.426 -2.923 337 2HB ALA 43 HMB ALA 43 9.215 -8.169 -4.662 338 3HB ALA 43 HMB ALA 43 9.067 -9.824 -4.019 339 H ILE 44 HN ILE 44 12.244 -7.265 -5.018 340 HA ILE 44 HA ILE 44 12.244 -8.949 -7.308 341 HB ILE 44 HB ILE 44 12.270 -6.258 -6.834 342 1HG1 ILE 44 HG1 ILE 44 13.184 -7.140 -9.544 343 2HG1 ILE 44 HG1 ILE 44 11.709 -7.885 -8.859 344 1HG2 ILE 44 HMG ILE 44 15.110 -6.901 -7.343 345 2HG2 ILE 44 HMG ILE 44 14.390 -5.618 -8.350 346 3HG2 ILE 44 HMG ILE 44 14.336 -5.490 -6.573 347 1HD1 ILE 44 HMD ILE 44 11.396 -5.160 -8.374 348 2HD1 ILE 44 HMD ILE 44 12.107 -5.239 -10.008 349 3HD1 ILE 44 HMD ILE 44 10.596 -6.117 -9.649 350 H LYS 45 HN LYS 45 15.022 -7.535 -5.525 351 HA LYS 45 HA LYS 45 16.869 -9.507 -6.451 352 1HB LYS 45 HBS LYS 45 16.869 -7.324 -4.433 353 2HB LYS 45 HBR LYS 45 18.029 -8.658 -4.171 354 1HG LYS 45 HGR LYS 45 19.331 -7.265 -5.450 355 2HG LYS 45 HGS LYS 45 18.558 -8.220 -6.747 356 1HD LYS 45 HDS LYS 45 18.078 -6.248 -7.636 357 2HD LYS 45 HDR LYS 45 16.739 -6.307 -6.524 358 1HE LYS 45 HES LYS 45 17.577 -4.181 -6.199 359 2HE LYS 45 HER LYS 45 18.272 -5.129 -4.853 360 1HZ LYS 45 HZC LYS 45 19.895 -5.153 -7.175 361 2HZ LYS 45 HZA LYS 45 19.659 -3.637 -6.615 362 3HZ LYS 45 HZB LYS 45 20.289 -4.781 -5.634 363 H LEU 46 HN LEU 46 14.430 -9.550 -4.036 364 HA LEU 46 HA LEU 46 15.385 -11.747 -2.428 365 1HB LEU 46 HBR LEU 46 12.823 -10.338 -3.014 366 2HB LEU 46 HBS LEU 46 12.723 -11.996 -2.359 367 HG LEU 46 HG LEU 46 14.284 -9.784 -1.015 368 1HD1 LEU 46 HMD LEU 46 11.390 -10.262 -1.153 369 2HD1 LEU 46 HMD LEU 46 12.033 -10.248 0.509 370 3HD1 LEU 46 HMD LEU 46 12.295 -8.846 -0.560 371 1HD2 LEU 46 HMD LEU 46 13.828 -12.624 -0.636 372 2HD2 LEU 46 HMD LEU 46 14.951 -11.528 0.209 373 3HD2 LEU 46 HMD LEU 46 13.269 -11.691 0.776 374 H ALA 47 HN ALA 47 13.578 -11.419 -5.475 375 HA ALA 47 HA ALA 47 12.935 -14.231 -5.570 376 1HB ALA 47 HMB ALA 47 11.609 -12.202 -6.458 377 2HB ALA 47 HMB ALA 47 12.681 -12.314 -7.877 378 3HB ALA 47 HMB ALA 47 11.650 -13.696 -7.428 379 H ARG 48 HN ARG 48 15.393 -12.143 -6.964 380 HA ARG 48 HA ARG 48 16.416 -14.087 -8.789 381 1HB ARG 48 HBS ARG 48 18.051 -11.860 -7.570 382 2HB ARG 48 HBR ARG 48 18.180 -12.606 -9.189 383 1HG ARG 48 HGS ARG 48 15.567 -11.464 -8.911 384 2HG ARG 48 HGR ARG 48 16.779 -10.247 -8.419 385 1HD ARG 48 HDS ARG 48 18.023 -10.903 -10.546 386 2HD ARG 48 HDR ARG 48 16.503 -11.704 -11.032 387 HE ARG 48 HE ARG 48 15.804 -9.620 -11.677 388 1HH1 ARG 48 HH1 ARG 48 18.141 -9.187 -9.072 389 2HH1 ARG 48 HH1 ARG 48 17.848 -7.485 -8.945 390 1HH2 ARG 48 HH2 ARG 48 15.357 -7.415 -11.394 391 2HH2 ARG 48 HH2 ARG 48 16.275 -6.481 -10.260 392 H HIS 49 HN HIS 49 17.590 -12.948 -5.599 393 HA HIS 49 HA HIS 49 19.588 -14.997 -5.309 394 1HB HIS 49 HBS HIS 49 18.761 -12.737 -3.779 395 2HB HIS 49 HBR HIS 49 18.566 -14.176 -2.737 396 HD1 HIS 49 HD1 HIS 49 21.023 -15.852 -3.638 397 HD2 HIS 49 HD2 HIS 49 21.129 -11.747 -2.944 398 HE1 HIS 49 HE1 HIS 49 23.431 -15.258 -3.278 399 HE2 HIS 49 HE2 HIS 49 23.504 -12.770 -2.880 400 H ALA 50 HN ALA 50 16.152 -14.873 -4.994 401 HA ALA 50 HA ALA 50 15.702 -17.209 -3.405 402 1HB ALA 50 HMB ALA 50 14.203 -15.434 -5.146 403 2HB ALA 50 HMB ALA 50 13.747 -17.139 -5.391 404 3HB ALA 50 HMB ALA 50 13.657 -16.418 -3.764 405 H GLY 51 HN GLY 51 16.252 -16.684 -6.889 406 1HA GLY 51 HAR GLY 51 17.490 -18.750 -7.783 407 2HA GLY 51 HAS GLY 51 15.980 -19.615 -7.403 408 H ARG 52 HN ARG 52 15.110 -16.516 -8.266 409 HA ARG 52 HA ARG 52 14.430 -15.424 -10.138 410 1HB ARG 52 HBS ARG 52 16.036 -15.269 -11.935 411 2HB ARG 52 HBR ARG 52 16.809 -15.135 -10.333 412 1HG ARG 52 HGS ARG 52 16.834 -17.825 -11.639 413 2HG ARG 52 HGR ARG 52 17.851 -16.546 -12.350 414 1HD ARG 52 HDS ARG 52 18.397 -16.214 -9.730 415 2HD ARG 52 HDR ARG 52 18.091 -17.973 -9.788 416 HE ARG 52 HE ARG 52 20.176 -16.527 -11.334 417 1HH1 ARG 52 HH1 ARG 52 18.683 -19.571 -10.368 418 2HH1 ARG 52 HH1 ARG 52 20.114 -20.497 -10.678 419 1HH2 ARG 52 HH2 ARG 52 22.059 -17.754 -11.627 420 2HH2 ARG 52 HH2 ARG 52 22.023 -19.470 -11.397 421 H LYS 53 HN LYS 53 12.537 -16.679 -10.333 422 HA LYS 53 HA LYS 53 12.509 -18.004 -13.000 423 1HB LYS 53 HBR LYS 53 10.240 -18.425 -11.093 424 2HB LYS 53 HBS LYS 53 10.818 -19.441 -12.444 425 1HG LYS 53 HGR LYS 53 12.028 -20.710 -11.058 426 2HG LYS 53 HGS LYS 53 12.835 -19.275 -10.363 427 1HD LYS 53 HDS LYS 53 11.496 -19.177 -8.576 428 2HD LYS 53 HDR LYS 53 10.079 -19.645 -9.476 429 1HE LYS 53 HES LYS 53 10.679 -21.970 -9.403 430 2HE LYS 53 HER LYS 53 12.241 -21.560 -8.641 431 1HZ LYS 53 HZA LYS 53 10.395 -20.413 -7.049 432 2HZ LYS 53 HZB LYS 53 9.680 -21.824 -7.457 433 3HZ LYS 53 HZC LYS 53 11.156 -21.830 -6.757 434 H THR 54 HN THR 54 10.127 -16.606 -10.722 435 HA THR 54 HA THR 54 9.963 -14.218 -12.423 436 HB THR 54 HB THR 54 8.023 -15.730 -13.129 437 HG1 THR 54 HG1 THR 54 8.108 -13.830 -13.454 438 1HG2 THR 54 HMG THR 54 7.611 -16.045 -10.372 439 2HG2 THR 54 HMG THR 54 6.278 -15.008 -10.944 440 3HG2 THR 54 HMG THR 54 6.559 -16.596 -11.701 441 H ILE 55 HN ILE 55 8.103 -12.807 -11.084 442 HA ILE 55 HA ILE 55 8.825 -12.969 -8.197 443 HB ILE 55 HB ILE 55 7.412 -10.627 -9.546 444 1HG1 ILE 55 HG1 ILE 55 9.558 -10.965 -10.674 445 2HG1 ILE 55 HG1 ILE 55 9.540 -9.456 -9.720 446 1HG2 ILE 55 HMG ILE 55 7.942 -11.254 -6.858 447 2HG2 ILE 55 HMG ILE 55 9.063 -9.937 -7.298 448 3HG2 ILE 55 HMG ILE 55 7.307 -9.730 -7.534 449 1HD1 ILE 55 HMD ILE 55 10.705 -10.859 -7.887 450 2HD1 ILE 55 HMD ILE 55 11.038 -12.018 -9.203 451 3HD1 ILE 55 HMD ILE 55 11.652 -10.346 -9.309 452 H LYS 56 HN LYS 56 7.247 -13.351 -6.750 453 HA LYS 56 HA LYS 56 4.617 -14.201 -7.861 454 1HB LYS 56 HBR LYS 56 6.818 -15.884 -6.964 455 2HB LYS 56 HBS LYS 56 5.339 -16.147 -5.997 456 1HG LYS 56 HGR LYS 56 4.141 -16.968 -7.793 457 2HG LYS 56 HGS LYS 56 5.113 -16.069 -8.993 458 1HD LYS 56 HDS LYS 56 7.015 -17.689 -8.048 459 2HD LYS 56 HDR LYS 56 5.629 -18.678 -7.682 460 1HE LYS 56 HES LYS 56 5.263 -19.233 -9.806 461 2HE LYS 56 HER LYS 56 5.539 -17.559 -10.371 462 1HZ LYS 56 HZA LYS 56 7.881 -18.927 -9.462 463 2HZ LYS 56 HZB LYS 56 7.203 -19.585 -10.794 464 3HZ LYS 56 HZC LYS 56 7.653 -18.015 -10.797 465 H ALA 57 HN ALA 57 2.995 -14.567 -6.284 466 HA ALA 57 HA ALA 57 2.869 -12.761 -4.146 467 1HB ALA 57 HMB ALA 57 0.982 -13.981 -5.331 468 2HB ALA 57 HMB ALA 57 1.341 -15.363 -4.264 469 3HB ALA 57 HMB ALA 57 0.843 -13.802 -3.563 470 H GLU 58 HN GLU 58 4.395 -15.848 -4.377 471 HA GLU 58 HA GLU 58 4.803 -16.359 -1.550 472 1HB GLU 58 HBS GLU 58 5.144 -17.693 -3.749 473 2HB GLU 58 HBR GLU 58 6.663 -16.986 -3.833 474 1HG GLU 58 HGS GLU 58 7.475 -18.231 -2.050 475 2HG GLU 58 HGR GLU 58 5.923 -18.236 -1.168 476 H ASP 59 HN ASP 59 6.944 -15.019 -4.106 477 HA ASP 59 HA ASP 59 8.862 -14.157 -2.297 478 1HB ASP 59 HBS ASP 59 8.410 -13.927 -5.163 479 2HB ASP 59 HBR ASP 59 9.316 -12.550 -4.473 480 H ILE 60 HN ILE 60 6.045 -12.466 -3.515 481 HA ILE 60 HA ILE 60 6.887 -9.800 -2.777 482 HB ILE 60 HB ILE 60 4.156 -11.024 -3.395 483 1HG1 ILE 60 HG1 ILE 60 5.928 -10.961 -5.183 484 2HG1 ILE 60 HG1 ILE 60 4.402 -10.121 -5.578 485 1HG2 ILE 60 HMG ILE 60 4.908 -8.213 -2.673 486 2HG2 ILE 60 HMG ILE 60 3.581 -8.522 -3.825 487 3HG2 ILE 60 HMG ILE 60 3.499 -9.186 -2.172 488 1HD1 ILE 60 HMD ILE 60 5.988 -8.129 -4.468 489 2HD1 ILE 60 HMD ILE 60 7.128 -9.095 -5.442 490 3HD1 ILE 60 HMD ILE 60 5.673 -8.398 -6.203 491 H GLU 61 HN GLU 61 4.621 -12.183 -1.346 492 HA GLU 61 HA GLU 61 4.230 -10.757 1.135 493 1HB GLU 61 HBR GLU 61 3.857 -13.571 0.131 494 2HB GLU 61 HBS GLU 61 3.768 -13.233 1.773 495 1HG GLU 61 HGS GLU 61 2.095 -11.408 1.332 496 2HG GLU 61 HGR GLU 61 1.891 -12.057 -0.318 497 H LEU 62 HN LEU 62 6.763 -12.671 -0.243 498 HA LEU 62 HA LEU 62 8.196 -13.307 2.182 499 1HB LEU 62 HBR LEU 62 8.421 -13.702 -0.610 500 2HB LEU 62 HBS LEU 62 9.880 -12.807 -0.100 501 HG LEU 62 HG LEU 62 8.920 -15.466 0.993 502 1HD1 LEU 62 HMD LEU 62 9.811 -15.480 -1.319 503 2HD1 LEU 62 HMD LEU 62 11.304 -14.707 -0.728 504 3HD1 LEU 62 HMD LEU 62 10.868 -16.343 -0.173 505 1HD2 LEU 62 HMD LEU 62 10.593 -13.490 2.152 506 2HD2 LEU 62 HMD LEU 62 10.319 -15.162 2.699 507 3HD2 LEU 62 HMD LEU 62 11.654 -14.800 1.576 508 H ALA 63 HN ALA 63 8.635 -10.733 -0.280 509 HA ALA 63 HA ALA 63 10.319 -9.094 1.198 510 1HB ALA 63 HMB ALA 63 9.609 -8.929 -1.239 511 2HB ALA 63 HMB ALA 63 8.181 -8.038 -0.654 512 3HB ALA 63 HMB ALA 63 9.817 -7.400 -0.349 513 H VAL 64 HN VAL 64 6.887 -9.617 1.521 514 HA VAL 64 HA VAL 64 6.256 -7.171 2.944 515 HB VAL 64 HB VAL 64 4.885 -9.833 2.564 516 1HG1 VAL 64 HMG VAL 64 4.192 -7.662 4.452 517 2HG1 VAL 64 HMG VAL 64 2.861 -8.262 3.433 518 3HG1 VAL 64 HMG VAL 64 3.769 -9.390 4.467 519 1HG2 VAL 64 HMG VAL 64 4.746 -7.170 1.258 520 2HG2 VAL 64 HMG VAL 64 4.594 -8.807 0.576 521 3HG2 VAL 64 HMG VAL 64 3.225 -8.075 1.450 522 H ARG 65 HN ARG 65 6.078 -10.515 4.161 523 HA ARG 65 HA ARG 65 6.613 -9.993 6.771 524 1HB ARG 65 HBS ARG 65 7.556 -12.464 5.281 525 2HB ARG 65 HBR ARG 65 7.318 -12.308 7.046 526 1HG ARG 65 HGS ARG 65 4.860 -11.597 6.201 527 2HG ARG 65 HGR ARG 65 5.332 -12.680 4.860 528 1HD ARG 65 HDS ARG 65 4.581 -14.300 6.181 529 2HD ARG 65 HDR ARG 65 6.144 -14.105 7.025 530 HE ARG 65 HE ARG 65 4.973 -13.361 8.852 531 1HH1 ARG 65 HH1 ARG 65 3.118 -12.483 5.985 532 2HH1 ARG 65 HH1 ARG 65 1.732 -11.990 6.899 533 1HH2 ARG 65 HH2 ARG 65 3.095 -12.833 10.005 534 2HH2 ARG 65 HH2 ARG 65 1.714 -12.198 9.174 535 H ARG 66 HN ARG 66 8.865 -9.776 4.197 536 HA ARG 66 HA ARG 66 11.205 -10.403 5.657 537 1HB ARG 66 HBR ARG 66 11.092 -10.544 3.223 538 2HB ARG 66 HBS ARG 66 10.893 -8.771 3.113 539 1HG ARG 66 HGS ARG 66 13.098 -8.564 2.978 540 2HG ARG 66 HGR ARG 66 13.243 -9.240 4.625 541 1HD ARG 66 HDS ARG 66 12.800 -11.175 2.437 542 2HD ARG 66 HDR ARG 66 14.371 -10.323 2.442 543 HE ARG 66 HE ARG 66 13.737 -11.339 5.048 544 1HH1 ARG 66 HH1 ARG 66 15.146 -12.152 1.920 545 2HH1 ARG 66 HH1 ARG 66 15.916 -13.583 2.517 546 1HH2 ARG 66 HH2 ARG 66 14.644 -13.292 5.759 547 2HH2 ARG 66 HH2 ARG 66 15.632 -14.229 4.689 548 H PHE 67 HN PHE 67 9.634 -7.305 4.895 549 HA PHE 67 HA PHE 67 11.332 -5.711 6.623 550 1HB PHE 67 HBR PHE 67 8.547 -4.857 6.739 551 2HB PHE 67 HBS PHE 67 9.987 -3.989 6.142 552 HD1 PHE 67 HD1 PHE 67 10.884 -5.035 3.873 553 HD2 PHE 67 HD2 PHE 67 6.810 -4.935 5.121 554 HE1 PHE 67 HE1 PHE 67 10.183 -5.083 1.522 555 HE2 PHE 67 HE2 PHE 67 6.081 -4.965 2.758 556 HZ PHE 67 HZ PHE 67 7.781 -5.163 0.966 557 H LYS 68 HN LYS 68 8.118 -7.239 7.081 558 HA LYS 68 HA LYS 68 8.466 -8.227 9.611 559 1HB LYS 68 HBS LYS 68 8.317 -5.323 9.716 560 2HB LYS 68 HBR LYS 68 6.967 -6.086 10.603 561 1HG LYS 68 HGR LYS 68 9.926 -6.666 11.023 562 2HG LYS 68 HGS LYS 68 8.900 -5.644 12.072 563 1HD LYS 68 HDS LYS 68 7.458 -7.585 12.526 564 2HD LYS 68 HDR LYS 68 8.488 -8.575 11.531 565 1HE LYS 68 HES LYS 68 9.998 -8.874 13.130 566 2HE LYS 68 HER LYS 68 9.987 -7.140 13.562 567 1HZ LYS 68 HZB LYS 68 7.614 -8.039 14.435 568 2HZ LYS 68 HZC LYS 68 8.592 -9.306 14.760 569 3HZ LYS 68 HZA LYS 68 8.942 -7.829 15.364 570 H LYS 69 HN LYS 69 6.174 -7.826 10.940 571 HA LYS 69 HA LYS 69 3.893 -7.222 9.357 572 1HB LYS 69 HBS LYS 69 4.454 -9.552 8.494 573 2HB LYS 69 HBR LYS 69 4.035 -10.147 10.127 574 1HG LYS 69 HGR LYS 69 2.055 -10.448 8.922 575 2HG LYS 69 HGS LYS 69 1.787 -8.893 9.760 576 1HD LYS 69 HDS LYS 69 2.413 -7.673 7.752 577 2HD LYS 69 HDR LYS 69 2.756 -9.169 6.927 578 1HE LYS 69 HES LYS 69 0.534 -8.080 6.409 579 2HE LYS 69 HER LYS 69 0.527 -9.816 6.828 580 1HZ LYS 69 HZA LYS 69 -0.002 -9.082 9.115 581 2HZ LYS 69 HZB LYS 69 -0.228 -7.566 8.552 582 3HZ LYS 69 HZC LYS 69 -1.181 -8.783 8.025 583 1H MET 1 HN MET 1 -9.621 -0.908 -10.542 584 2H MET 1 HNB MET 1 -8.864 -1.857 -11.636 585 3H MET 1 HNC MET 1 -10.340 -2.274 -11.075 586 HA MET 1 HA MET 1 -9.628 -3.142 -9.206 587 1HB MET 1 HBS MET 1 -7.662 -3.388 -11.355 588 2HB MET 1 HBR MET 1 -6.937 -3.612 -9.742 589 1HG MET 1 HGS MET 1 -9.525 -5.013 -10.531 590 2HG MET 1 HGR MET 1 -7.937 -5.683 -10.970 591 1HE MET 1 HME MET 1 -9.611 -7.341 -9.653 592 2HE MET 1 HME MET 1 -8.093 -8.021 -9.012 593 3HE MET 1 HME MET 1 -9.444 -7.661 -7.908 594 H GLU 2 HN GLU 2 -7.983 -3.138 -7.421 595 HA GLU 2 HA GLU 2 -7.326 -0.316 -6.724 596 1HB GLU 2 HBR GLU 2 -6.989 -1.342 -4.475 597 2HB GLU 2 HBS GLU 2 -8.547 -1.259 -5.089 598 1HG GLU 2 HGS GLU 2 -7.279 -3.780 -5.801 599 2HG GLU 2 HGR GLU 2 -7.489 -3.613 -4.036 600 H LEU 3 HN LEU 3 -5.274 0.328 -6.537 601 HA LEU 3 HA LEU 3 -3.145 0.461 -7.441 602 1HB LEU 3 HBR LEU 3 -2.903 -2.147 -5.927 603 2HB LEU 3 HBS LEU 3 -1.705 -0.832 -6.102 604 HG LEU 3 HG LEU 3 -4.291 -0.639 -4.542 605 1HD1 LEU 3 HMD LEU 3 -2.592 -2.214 -3.577 606 2HD1 LEU 3 HMD LEU 3 -1.440 -0.856 -3.524 607 3HD1 LEU 3 HMD LEU 3 -2.934 -0.793 -2.558 608 1HD2 LEU 3 HMD LEU 3 -3.076 1.383 -5.682 609 2HD2 LEU 3 HMD LEU 3 -3.634 1.508 -3.995 610 3HD2 LEU 3 HMD LEU 3 -1.916 1.189 -4.345 611 HA PRO 4 HA PRO 4 -4.336 -2.548 -10.801 612 1HB PRO 4 HBR PRO 4 -3.719 -0.498 -12.588 613 2HB PRO 4 HBS PRO 4 -5.141 -1.302 -12.424 614 1HG PRO 4 HGS PRO 4 -4.733 1.222 -11.721 615 2HG PRO 4 HGR PRO 4 -6.022 0.290 -11.216 616 1HD PRO 4 HDS PRO 4 -3.761 1.082 -9.754 617 2HD PRO 4 HDR PRO 4 -5.206 0.511 -9.185 618 H ILE 5 HN ILE 5 -3.184 -3.739 -12.271 619 HA ILE 5 HA ILE 5 -0.645 -4.206 -11.146 620 HB ILE 5 HB ILE 5 -0.426 -5.925 -12.992 621 1HG1 ILE 5 HG1 ILE 5 -3.020 -5.975 -14.075 622 2HG1 ILE 5 HG1 ILE 5 -2.527 -4.260 -14.136 623 1HG2 ILE 5 HMG ILE 5 -2.012 -5.990 -10.779 624 2HG2 ILE 5 HMG ILE 5 -3.168 -6.430 -12.065 625 3HG2 ILE 5 HMG ILE 5 -1.674 -7.379 -11.845 626 1HD1 ILE 5 HMD ILE 5 -0.589 -6.323 -15.097 627 2HD1 ILE 5 HMD ILE 5 -2.001 -5.937 -16.117 628 3HD1 ILE 5 HMD ILE 5 -0.859 -4.649 -15.650 629 H ALA 6 HN ALA 6 -1.612 -2.087 -13.653 630 HA ALA 6 HA ALA 6 1.030 -1.846 -14.835 631 1HB ALA 6 HMB ALA 6 -1.660 -0.650 -15.206 632 2HB ALA 6 HMB ALA 6 -0.268 0.370 -15.646 633 3HB ALA 6 HMB ALA 6 -0.475 -1.228 -16.405 634 HA PRO 7 HA PRO 7 0.930 2.247 -12.282 635 1HB PRO 7 HBR PRO 7 -0.943 2.275 -10.328 636 2HB PRO 7 HBS PRO 7 -0.970 3.185 -11.695 637 1HG PRO 7 HGS PRO 7 -2.484 0.925 -11.092 638 2HG PRO 7 HGR PRO 7 -2.781 2.098 -12.243 639 1HD PRO 7 HDS PRO 7 -1.912 -0.368 -12.784 640 2HD PRO 7 HDR PRO 7 -1.798 0.918 -13.818 641 H ILE 8 HN ILE 8 -0.012 -0.573 -10.529 642 HA ILE 8 HA ILE 8 1.935 -0.257 -8.431 643 HB ILE 8 HB ILE 8 -0.212 -1.881 -8.843 644 1HG1 ILE 8 HG1 ILE 8 1.903 -2.890 -6.969 645 2HG1 ILE 8 HG1 ILE 8 1.372 -1.190 -6.821 646 1HG2 ILE 8 HMG ILE 8 2.133 -3.740 -9.281 647 2HG2 ILE 8 HMG ILE 8 0.471 -4.220 -8.845 648 3HG2 ILE 8 HMG ILE 8 0.786 -3.410 -10.402 649 1HD1 ILE 8 HMD ILE 8 -1.029 -2.421 -6.947 650 2HD1 ILE 8 HMD ILE 8 -0.059 -3.706 -6.181 651 3HD1 ILE 8 HMD ILE 8 -0.159 -2.094 -5.425 652 H GLY 9 HN GLY 9 1.906 -2.360 -11.340 653 1HA GLY 9 HAR GLY 9 4.467 -3.220 -11.227 654 2HA GLY 9 HAS GLY 9 3.602 -3.009 -12.772 655 H ARG 10 HN ARG 10 3.481 -0.002 -11.951 656 HA ARG 10 HA ARG 10 5.934 0.750 -13.365 657 1HB ARG 10 HBR ARG 10 3.696 1.827 -13.786 658 2HB ARG 10 HBS ARG 10 3.825 2.568 -12.165 659 1HG ARG 10 HGS ARG 10 5.742 3.842 -12.813 660 2HG ARG 10 HGR ARG 10 5.880 2.959 -14.361 661 1HD ARG 10 HDS ARG 10 3.272 4.211 -13.898 662 2HD ARG 10 HDR ARG 10 4.639 5.357 -14.002 663 HE ARG 10 HE ARG 10 4.971 4.736 -16.241 664 1HH1 ARG 10 HH1 ARG 10 2.228 3.054 -14.799 665 2HH1 ARG 10 HH1 ARG 10 1.723 2.361 -16.304 666 1HH2 ARG 10 HH2 ARG 10 4.360 3.703 -18.164 667 2HH2 ARG 10 HH2 ARG 10 2.928 2.730 -18.209 668 H ILE 11 HN ILE 11 4.467 1.182 -10.145 669 HA ILE 11 HA ILE 11 6.696 2.307 -8.809 670 HB ILE 11 HB ILE 11 4.564 0.340 -7.845 671 1HG1 ILE 11 HG1 ILE 11 4.709 3.343 -7.420 672 2HG1 ILE 11 HG1 ILE 11 3.887 2.594 -8.818 673 1HG2 ILE 11 HMG ILE 11 6.863 1.515 -6.448 674 2HG2 ILE 11 HMG ILE 11 5.296 1.756 -5.629 675 3HG2 ILE 11 HMG ILE 11 5.847 0.108 -6.034 676 1HD1 ILE 11 HMD ILE 11 3.071 1.488 -6.219 677 2HD1 ILE 11 HMD ILE 11 2.707 3.222 -6.425 678 3HD1 ILE 11 HMD ILE 11 2.089 2.034 -7.604 679 H ILE 12 HN ILE 12 5.846 -1.094 -9.508 680 HA ILE 12 HA ILE 12 8.189 -2.156 -8.173 681 HB ILE 12 HB ILE 12 6.535 -3.612 -10.274 682 1HG1 ILE 12 HG1 ILE 12 4.808 -2.732 -8.973 683 2HG1 ILE 12 HG1 ILE 12 5.074 -4.367 -8.312 684 1HG2 ILE 12 HMG ILE 12 8.648 -4.377 -8.591 685 2HG2 ILE 12 HMG ILE 12 7.178 -5.147 -7.937 686 3HG2 ILE 12 HMG ILE 12 7.637 -5.405 -9.641 687 1HD1 ILE 12 HMD ILE 12 6.301 -1.904 -7.059 688 2HD1 ILE 12 HMD ILE 12 4.668 -2.490 -6.645 689 3HD1 ILE 12 HMD ILE 12 6.088 -3.530 -6.358 690 H LYS 13 HN LYS 13 7.394 -0.952 -11.350 691 HA LYS 13 HA LYS 13 9.690 -1.977 -12.784 692 1HB LYS 13 HBR LYS 13 7.593 0.079 -13.179 693 2HB LYS 13 HBS LYS 13 9.168 0.425 -13.942 694 1HG LYS 13 HGR LYS 13 9.057 -1.840 -15.037 695 2HG LYS 13 HGS LYS 13 7.396 -2.007 -14.398 696 1HD LYS 13 HDS LYS 13 8.098 0.413 -16.002 697 2HD LYS 13 HDR LYS 13 7.915 -1.116 -16.820 698 1HE LYS 13 HES LYS 13 5.674 -1.354 -16.226 699 2HE LYS 13 HER LYS 13 5.814 -0.134 -14.931 700 1HZ LYS 13 HZB LYS 13 6.480 0.925 -17.459 701 2HZ LYS 13 HZC LYS 13 4.972 0.300 -17.471 702 3HZ LYS 13 HZA LYS 13 5.372 1.444 -16.377 703 H ASP 14 HN ASP 14 8.909 1.036 -11.020 704 HA ASP 14 HA ASP 14 11.327 2.250 -11.142 705 1HB ASP 14 HBS ASP 14 9.214 3.147 -10.171 706 2HB ASP 14 HBR ASP 14 9.618 2.269 -8.666 707 H ALA 15 HN ALA 15 10.383 -0.313 -8.912 708 HA ALA 15 HA ALA 15 12.722 -0.736 -7.519 709 1HB ALA 15 HMB ALA 15 10.383 -2.162 -8.069 710 2HB ALA 15 HMB ALA 15 11.711 -3.233 -8.588 711 3HB ALA 15 HMB ALA 15 11.672 -2.603 -6.920 712 H GLY 16 HN GLY 16 11.988 -1.753 -10.851 713 1HA GLY 16 HAR GLY 16 13.931 -2.170 -12.386 714 2HA GLY 16 HAS GLY 16 14.695 -3.023 -11.019 715 H ALA 17 HN ALA 17 11.237 -3.188 -11.629 716 HA ALA 17 HA ALA 17 11.338 -6.032 -11.784 717 1HB ALA 17 HMB ALA 17 9.162 -3.955 -11.985 718 2HB ALA 17 HMB ALA 17 8.829 -5.694 -12.196 719 3HB ALA 17 HMB ALA 17 9.515 -5.097 -10.663 720 H GLU 18 HN GLU 18 10.662 -7.415 -13.418 721 HA GLU 18 HA GLU 18 9.598 -6.576 -15.886 722 1HB GLU 18 HBR GLU 18 11.540 -7.196 -17.327 723 2HB GLU 18 HBS GLU 18 11.571 -5.718 -16.533 724 1HG GLU 18 HGS GLU 18 13.461 -6.069 -15.497 725 2HG GLU 18 HGR GLU 18 12.898 -7.596 -14.765 726 H ARG 19 HN ARG 19 11.437 -8.928 -14.010 727 HA ARG 19 HA ARG 19 9.955 -11.132 -15.314 728 1HB ARG 19 HBR ARG 19 12.276 -11.106 -13.358 729 2HB ARG 19 HBS ARG 19 11.462 -12.581 -13.954 730 1HG ARG 19 HGS ARG 19 12.908 -10.548 -15.685 731 2HG ARG 19 HGR ARG 19 13.581 -12.110 -15.138 732 1HD ARG 19 HDS ARG 19 10.996 -11.912 -16.660 733 2HD ARG 19 HDR ARG 19 12.583 -11.989 -17.476 734 HE ARG 19 HE ARG 19 12.243 -14.095 -15.531 735 1HH1 ARG 19 HH1 ARG 19 11.796 -13.137 -18.894 736 2HH1 ARG 19 HH1 ARG 19 11.510 -14.758 -19.431 737 1HH2 ARG 19 HH2 ARG 19 11.736 -16.184 -16.249 738 2HH2 ARG 19 HH2 ARG 19 11.477 -16.483 -17.935 739 H VAL 20 HN VAL 20 8.605 -9.212 -13.592 740 HA VAL 20 HA VAL 20 7.764 -10.846 -11.301 741 HB VAL 20 HB VAL 20 6.518 -8.323 -12.409 742 1HG1 VAL 20 HMG VAL 20 5.699 -10.098 -10.346 743 2HG1 VAL 20 HMG VAL 20 6.240 -8.585 -9.581 744 3HG1 VAL 20 HMG VAL 20 4.979 -8.546 -10.836 745 1HG2 VAL 20 HMG VAL 20 9.055 -8.381 -11.545 746 2HG2 VAL 20 HMG VAL 20 7.962 -6.999 -11.292 747 3HG2 VAL 20 HMG VAL 20 8.221 -8.181 -9.985 748 H SER 21 HN SER 21 6.077 -12.158 -11.234 749 HA SER 21 HA SER 21 4.437 -12.631 -13.628 750 1HB SER 21 HBS SER 21 5.101 -14.525 -12.219 751 2HB SER 21 HBR SER 21 4.214 -13.812 -10.842 752 HG SER 21 HG SER 21 3.029 -15.449 -11.848 753 H ASP 22 HN ASP 22 2.255 -12.207 -13.764 754 HA ASP 22 HA ASP 22 1.392 -9.789 -12.723 755 1HB ASP 22 HBS ASP 22 -0.111 -12.036 -14.033 756 2HB ASP 22 HBR ASP 22 -0.905 -10.525 -13.505 757 H ASP 23 HN ASP 23 1.475 -12.820 -11.189 758 HA ASP 23 HA ASP 23 -0.744 -12.247 -9.426 759 1HB ASP 23 HBS ASP 23 -0.218 -14.493 -10.378 760 2HB ASP 23 HBR ASP 23 1.164 -14.571 -9.248 761 H ALA 24 HN ALA 24 2.709 -11.916 -9.342 762 HA ALA 24 HA ALA 24 2.889 -11.329 -6.481 763 1HB ALA 24 HMB ALA 24 4.674 -10.993 -8.880 764 2HB ALA 24 HMB ALA 24 5.032 -10.160 -7.347 765 3HB ALA 24 HMB ALA 24 4.933 -11.938 -7.392 766 H ARG 25 HN ARG 25 2.649 -9.529 -9.559 767 HA ARG 25 HA ARG 25 2.726 -6.962 -8.502 768 1HB ARG 25 HBR ARG 25 1.758 -8.185 -11.019 769 2HB ARG 25 HBS ARG 25 1.051 -6.595 -10.610 770 1HG ARG 25 HGS ARG 25 3.084 -5.497 -10.787 771 2HG ARG 25 HGR ARG 25 4.033 -6.985 -10.511 772 1HD ARG 25 HDS ARG 25 4.208 -7.304 -12.678 773 2HD ARG 25 HDR ARG 25 2.429 -7.334 -12.837 774 HE ARG 25 HE ARG 25 2.932 -4.679 -12.746 775 1HH1 ARG 25 HH1 ARG 25 4.720 -7.179 -14.472 776 2HH1 ARG 25 HH1 ARG 25 5.014 -6.171 -15.849 777 1HH2 ARG 25 HH2 ARG 25 3.226 -3.433 -14.617 778 2HH2 ARG 25 HH2 ARG 25 4.170 -4.051 -15.932 779 H ILE 26 HN ILE 26 -0.164 -8.940 -9.246 780 HA ILE 26 HA ILE 26 -2.061 -7.213 -8.171 781 HB ILE 26 HB ILE 26 -2.369 -9.377 -9.551 782 1HG1 ILE 26 HG1 ILE 26 -4.101 -7.795 -8.589 783 2HG1 ILE 26 HG1 ILE 26 -4.655 -9.444 -8.999 784 1HG2 ILE 26 HMG ILE 26 -2.306 -10.588 -6.786 785 2HG2 ILE 26 HMG ILE 26 -3.128 -11.345 -8.176 786 3HG2 ILE 26 HMG ILE 26 -1.369 -11.057 -8.228 787 1HD1 ILE 26 HMD ILE 26 -3.827 -9.449 -6.271 788 2HD1 ILE 26 HMD ILE 26 -4.888 -8.038 -6.526 789 3HD1 ILE 26 HMD ILE 26 -5.464 -9.674 -6.945 790 H THR 27 HN THR 27 -0.368 -9.909 -6.529 791 HA THR 27 HA THR 27 -1.751 -9.658 -4.136 792 HB THR 27 HB THR 27 -0.073 -11.533 -5.039 793 HG1 THR 27 HG1 THR 27 -0.340 -10.756 -2.452 794 1HG2 THR 27 HMG THR 27 1.829 -9.711 -3.841 795 2HG2 THR 27 HMG THR 27 1.783 -11.263 -2.966 796 3HG2 THR 27 HMG THR 27 2.088 -11.239 -4.722 797 H LEU 28 HN LEU 28 0.920 -7.788 -5.350 798 HA LEU 28 HA LEU 28 1.581 -6.402 -2.896 799 1HB LEU 28 HBR LEU 28 2.601 -6.594 -5.421 800 2HB LEU 28 HBS LEU 28 1.762 -5.024 -5.513 801 HG LEU 28 HG LEU 28 3.180 -4.020 -3.976 802 1HD1 LEU 28 HMD LEU 28 3.361 -6.654 -2.813 803 2HD1 LEU 28 HMD LEU 28 4.993 -5.996 -3.096 804 3HD1 LEU 28 HMD LEU 28 3.817 -5.074 -2.126 805 1HD2 LEU 28 HMD LEU 28 4.207 -4.482 -6.136 806 2HD2 LEU 28 HMD LEU 28 5.425 -4.537 -4.836 807 3HD2 LEU 28 HMD LEU 28 4.802 -6.053 -5.539 808 H ALA 29 HN ALA 29 -0.583 -5.752 -5.667 809 HA ALA 29 HA ALA 29 -1.817 -3.511 -4.653 810 1HB ALA 29 HMB ALA 29 -2.064 -4.609 -6.942 811 2HB ALA 29 HMB ALA 29 -3.356 -5.591 -6.209 812 3HB ALA 29 HMB ALA 29 -3.498 -3.815 -6.245 813 H LYS 30 HN LYS 30 -2.709 -6.913 -4.070 814 HA LYS 30 HA LYS 30 -4.910 -6.249 -2.418 815 1HB LYS 30 HBR LYS 30 -3.712 -8.601 -3.499 816 2HB LYS 30 HBS LYS 30 -3.920 -8.847 -1.742 817 1HG LYS 30 HGR LYS 30 -6.039 -9.418 -2.185 818 2HG LYS 30 HGS LYS 30 -6.333 -7.697 -2.564 819 1HD LYS 30 HDS LYS 30 -6.032 -8.016 -4.862 820 2HD LYS 30 HDR LYS 30 -5.265 -9.564 -4.637 821 1HE LYS 30 HES LYS 30 -7.836 -9.781 -3.482 822 2HE LYS 30 HER LYS 30 -8.008 -8.987 -5.073 823 1HZ LYS 30 HZC LYS 30 -6.234 -11.033 -5.418 824 2HZ LYS 30 HZA LYS 30 -7.425 -11.669 -4.498 825 3HZ LYS 30 HZB LYS 30 -7.782 -10.978 -5.935 826 H ILE 31 HN ILE 31 -1.542 -7.100 -1.688 827 HA ILE 31 HA ILE 31 -1.801 -7.265 1.172 828 HB ILE 31 HB ILE 31 0.477 -6.859 -0.802 829 1HG1 ILE 31 HG1 ILE 31 0.175 -9.138 1.147 830 2HG1 ILE 31 HG1 ILE 31 -0.854 -9.058 -0.313 831 1HG2 ILE 31 HMG ILE 31 0.621 -6.006 1.883 832 2HG2 ILE 31 HMG ILE 31 1.516 -7.545 1.781 833 3HG2 ILE 31 HMG ILE 31 1.944 -6.193 0.701 834 1HD1 ILE 31 HMD ILE 31 1.493 -8.692 -1.501 835 2HD1 ILE 31 HMD ILE 31 2.080 -9.559 -0.057 836 3HD1 ILE 31 HMD ILE 31 0.869 -10.320 -1.123 837 H LEU 32 HN LEU 32 -0.111 -4.765 -0.736 838 HA LEU 32 HA LEU 32 -0.143 -2.739 1.061 839 1HB LEU 32 HBR LEU 32 -0.152 -2.924 -1.919 840 2HB LEU 32 HBS LEU 32 -0.269 -1.310 -1.165 841 HG LEU 32 HG LEU 32 1.917 -3.156 -0.294 842 1HD1 LEU 32 HMD LEU 32 1.565 -2.749 -2.975 843 2HD1 LEU 32 HMD LEU 32 2.578 -1.351 -2.534 844 3HD1 LEU 32 HMD LEU 32 3.139 -3.005 -2.182 845 1HD2 LEU 32 HMD LEU 32 1.423 -0.951 0.758 846 2HD2 LEU 32 HMD LEU 32 3.053 -1.049 0.045 847 3HD2 LEU 32 HMD LEU 32 1.759 -0.169 -0.807 848 H GLU 33 HN GLU 33 -2.865 -3.844 -0.814 849 HA GLU 33 HA GLU 33 -4.693 -1.713 -0.279 850 1HB GLU 33 HBR GLU 33 -4.708 -4.531 -1.121 851 2HB GLU 33 HBS GLU 33 -6.004 -4.164 -0.126 852 1HG GLU 33 HGS GLU 33 -6.455 -3.892 -2.579 853 2HG GLU 33 HGR GLU 33 -6.996 -2.537 -1.551 854 H GLU 34 HN GLU 34 -4.058 -4.792 1.458 855 HA GLU 34 HA GLU 34 -6.099 -4.335 3.453 856 1HB GLU 34 HBR GLU 34 -4.700 -6.449 2.520 857 2HB GLU 34 HBS GLU 34 -3.706 -6.033 3.805 858 1HG GLU 34 HGS GLU 34 -5.928 -5.949 5.215 859 2HG GLU 34 HGR GLU 34 -6.498 -7.139 4.015 860 H MET 35 HN MET 35 -2.777 -3.393 3.010 861 HA MET 35 HA MET 35 -2.382 -2.261 5.651 862 1HB MET 35 HBS MET 35 -1.052 -2.172 3.010 863 2HB MET 35 HBR MET 35 -0.913 -0.686 3.983 864 1HG MET 35 HGS MET 35 -0.371 -3.432 5.188 865 2HG MET 35 HGR MET 35 0.883 -2.556 4.280 866 1HE MET 35 HME MET 35 2.186 -2.834 6.119 867 2HE MET 35 HME MET 35 2.645 -1.193 6.637 868 3HE MET 35 HME MET 35 1.925 -2.326 7.806 869 H GLY 36 HN GLY 36 -3.443 -0.991 2.476 870 1HA GLY 36 HAR GLY 36 -3.977 1.599 3.240 871 2HA GLY 36 HAS GLY 36 -4.831 0.758 1.912 872 H ARG 37 HN ARG 37 -6.193 -1.200 3.373 873 HA ARG 37 HA ARG 37 -8.493 0.254 4.330 874 1HB ARG 37 HBR ARG 37 -8.292 -2.168 3.327 875 2HB ARG 37 HBS ARG 37 -7.977 -2.621 5.028 876 1HG ARG 37 HGS ARG 37 -10.379 -0.947 4.335 877 2HG ARG 37 HGR ARG 37 -10.409 -2.713 4.063 878 1HD ARG 37 HDS ARG 37 -9.649 -2.968 6.446 879 2HD ARG 37 HDR ARG 37 -9.967 -1.222 6.644 880 HE ARG 37 HE ARG 37 -12.279 -1.635 6.449 881 1HH1 ARG 37 HH1 ARG 37 -10.479 -4.584 5.743 882 2HH1 ARG 37 HH1 ARG 37 -11.827 -5.617 6.079 883 1HH2 ARG 37 HH2 ARG 37 -13.981 -3.026 7.005 884 2HH2 ARG 37 HH2 ARG 37 -13.809 -4.737 6.792 885 H ASP 38 HN ASP 38 -5.695 -1.343 5.789 886 HA ASP 38 HA ASP 38 -6.442 -1.063 8.491 887 1HB ASP 38 HBS ASP 38 -4.375 -2.217 7.241 888 2HB ASP 38 HBR ASP 38 -3.577 -0.746 7.870 889 H ILE 39 HN ILE 39 -4.349 1.111 6.551 890 HA ILE 39 HA ILE 39 -4.020 2.976 8.654 891 HB ILE 39 HB ILE 39 -3.882 3.781 5.722 892 1HG1 ILE 39 HG1 ILE 39 -1.937 1.985 7.210 893 2HG1 ILE 39 HG1 ILE 39 -2.845 1.633 5.712 894 1HG2 ILE 39 HMG ILE 39 -3.466 5.438 7.552 895 2HG2 ILE 39 HMG ILE 39 -2.045 4.466 8.023 896 3HG2 ILE 39 HMG ILE 39 -2.116 5.217 6.406 897 1HD1 ILE 39 HMD ILE 39 -1.144 4.003 5.501 898 2HD1 ILE 39 HMD ILE 39 -0.242 2.502 5.846 899 3HD1 ILE 39 HMD ILE 39 -1.309 2.594 4.419 900 H ALA 40 HN ALA 40 -6.407 2.766 6.047 901 HA ALA 40 HA ALA 40 -7.299 5.449 6.241 902 1HB ALA 40 HMB ALA 40 -7.622 3.490 4.440 903 2HB ALA 40 HMB ALA 40 -9.197 3.384 5.266 904 3HB ALA 40 HMB ALA 40 -8.674 4.925 4.539 905 H SER 41 HN SER 41 -8.836 2.411 7.376 906 HA SER 41 HA SER 41 -10.943 3.687 8.792 907 1HB SER 41 HBS SER 41 -11.157 1.393 8.194 908 2HB SER 41 HBR SER 41 -9.693 0.945 9.118 909 HG SER 41 HG SER 41 -12.248 0.941 9.843 910 H GLU 42 HN GLU 42 -7.604 3.016 9.585 911 HA GLU 42 HA GLU 42 -7.742 3.563 12.427 912 1HB GLU 42 HBR GLU 42 -5.814 3.017 10.348 913 2HB GLU 42 HBS GLU 42 -5.352 4.405 11.164 914 1HG GLU 42 HGS GLU 42 -5.793 1.722 12.411 915 2HG GLU 42 HGR GLU 42 -4.243 2.605 12.360 916 H ALA 43 HN ALA 43 -6.547 5.525 9.661 917 HA ALA 43 HA ALA 43 -6.468 7.967 11.056 918 1HB ALA 43 HMB ALA 43 -5.567 7.169 8.691 919 2HB ALA 43 HMB ALA 43 -7.061 7.967 8.135 920 3HB ALA 43 HMB ALA 43 -5.856 8.886 9.073 921 H ILE 44 HN ILE 44 -9.137 6.173 9.864 922 HA ILE 44 HA ILE 44 -10.923 8.456 9.867 923 HB ILE 44 HB ILE 44 -11.218 5.468 9.356 924 1HG1 ILE 44 HG1 ILE 44 -11.810 7.751 7.469 925 2HG1 ILE 44 HG1 ILE 44 -10.134 7.210 7.772 926 1HG2 ILE 44 HMG ILE 44 -13.315 6.533 10.450 927 2HG2 ILE 44 HMG ILE 44 -13.511 7.342 8.873 928 3HG2 ILE 44 HMG ILE 44 -13.488 5.561 8.964 929 1HD1 ILE 44 HMD ILE 44 -11.025 4.858 7.148 930 2HD1 ILE 44 HMD ILE 44 -12.403 5.739 6.442 931 3HD1 ILE 44 HMD ILE 44 -10.749 6.048 5.849 932 H LYS 45 HN LYS 45 -10.660 5.446 11.802 933 HA LYS 45 HA LYS 45 -12.257 6.254 13.992 934 1HB LYS 45 HBR LYS 45 -11.230 3.974 13.606 935 2HB LYS 45 HBS LYS 45 -9.689 4.659 14.197 936 1HG LYS 45 HGR LYS 45 -12.248 4.752 15.824 937 2HG LYS 45 HGS LYS 45 -11.113 3.373 15.892 938 1HD LYS 45 HDS LYS 45 -9.456 5.545 16.218 939 2HD LYS 45 HDR LYS 45 -10.911 6.061 17.028 940 1HE LYS 45 HES LYS 45 -10.917 4.058 18.415 941 2HE LYS 45 HER LYS 45 -9.444 3.493 17.577 942 1HZ LYS 45 HZC LYS 45 -8.676 5.870 18.356 943 2HZ LYS 45 HZA LYS 45 -9.745 5.567 19.553 944 3HZ LYS 45 HZB LYS 45 -8.500 4.542 19.291 945 H LEU 46 HN LEU 46 -9.165 7.335 12.866 946 HA LEU 46 HA LEU 46 -8.346 8.538 15.333 947 1HB LEU 46 HBR LEU 46 -7.457 8.359 12.508 948 2HB LEU 46 HBS LEU 46 -6.866 9.764 13.439 949 HG LEU 46 HG LEU 46 -6.571 7.026 14.608 950 1HD1 LEU 46 HMD LEU 46 -5.113 8.134 12.230 951 2HD1 LEU 46 HMD LEU 46 -4.219 7.179 13.439 952 3HD1 LEU 46 HMD LEU 46 -5.609 6.461 12.588 953 1HD2 LEU 46 HMD LEU 46 -6.051 9.212 15.759 954 2HD2 LEU 46 HMD LEU 46 -4.696 8.059 15.667 955 3HD2 LEU 46 HMD LEU 46 -4.758 9.453 14.559 956 H ALA 47 HN ALA 47 -9.728 9.843 12.305 957 HA ALA 47 HA ALA 47 -9.750 12.529 13.256 958 1HB ALA 47 HMB ALA 47 -10.723 11.046 10.871 959 2HB ALA 47 HMB ALA 47 -11.474 12.625 11.213 960 3HB ALA 47 HMB ALA 47 -9.709 12.506 10.995 961 H ARG 48 HN ARG 48 -12.009 9.880 13.474 962 HA ARG 48 HA ARG 48 -14.329 11.613 14.031 963 1HB ARG 48 HBR ARG 48 -13.934 8.622 13.828 964 2HB ARG 48 HBS ARG 48 -15.413 9.346 14.519 965 1HG ARG 48 HGS ARG 48 -14.583 10.381 11.866 966 2HG ARG 48 HGR ARG 48 -15.117 8.677 11.909 967 1HD ARG 48 HDS ARG 48 -17.068 9.834 11.508 968 2HD ARG 48 HDR ARG 48 -17.103 9.567 13.273 969 HE ARG 48 HE ARG 48 -16.990 11.848 13.579 970 1HH1 ARG 48 HH1 ARG 48 -15.675 11.134 10.388 971 2HH1 ARG 48 HH1 ARG 48 -15.713 12.789 9.881 972 1HH2 ARG 48 HH2 ARG 48 -17.148 13.984 12.834 973 2HH2 ARG 48 HH2 ARG 48 -16.546 14.403 11.265 974 H HIS 49 HN HIS 49 -12.001 9.498 15.648 975 HA HIS 49 HA HIS 49 -12.988 9.746 18.307 976 1HB HIS 49 HBS HIS 49 -11.131 8.189 17.678 977 2HB HIS 49 HBR HIS 49 -10.064 9.606 17.457 978 HD1 HIS 49 HD1 HIS 49 -9.368 10.918 19.673 979 HD2 HIS 49 HD2 HIS 49 -11.666 7.502 20.303 980 HE1 HIS 49 HE1 HIS 49 -9.340 10.494 22.142 981 HE2 HIS 49 HE2 HIS 49 -10.747 8.441 22.532 982 H ALA 50 HN ALA 50 -11.000 11.833 16.250 983 HA ALA 50 HA ALA 50 -10.677 14.008 18.096 984 1HB ALA 50 HMB ALA 50 -9.783 13.497 15.611 985 2HB ALA 50 HMB ALA 50 -11.149 14.574 15.224 986 3HB ALA 50 HMB ALA 50 -9.859 15.131 16.319 987 H GLY 51 HN GLY 51 -13.196 13.099 15.738 988 1HA GLY 51 HAR GLY 51 -15.393 13.810 15.497 989 2HA GLY 51 HAS GLY 51 -15.247 14.691 17.041 990 H ARG 52 HN ARG 52 -13.236 14.937 14.104 991 HA ARG 52 HA ARG 52 -13.898 17.844 13.994 992 1HB ARG 52 HBR ARG 52 -11.205 16.457 13.973 993 2HB ARG 52 HBS ARG 52 -11.451 18.136 13.415 994 1HG ARG 52 HGS ARG 52 -11.923 17.044 16.208 995 2HG ARG 52 HGR ARG 52 -10.623 18.152 15.685 996 1HD ARG 52 HDS ARG 52 -12.410 19.762 14.999 997 2HD ARG 52 HDR ARG 52 -13.589 18.682 15.798 998 HE ARG 52 HE ARG 52 -11.475 19.305 17.603 999 1HH1 ARG 52 HH1 ARG 52 -14.066 20.999 15.915 1000 2HH1 ARG 52 HH1 ARG 52 -14.395 22.052 17.249 1001 1HH2 ARG 52 HH2 ARG 52 -12.023 20.611 19.373 1002 2HH2 ARG 52 HH2 ARG 52 -13.239 21.834 19.207 1003 H LYS 53 HN LYS 53 -12.378 18.643 11.958 1004 HA LYS 53 HA LYS 53 -14.177 17.923 9.877 1005 1HB LYS 53 HBR LYS 53 -11.662 19.540 9.455 1006 2HB LYS 53 HBS LYS 53 -13.244 19.668 8.632 1007 1HG LYS 53 HGR LYS 53 -13.930 20.191 11.239 1008 2HG LYS 53 HGS LYS 53 -12.292 20.898 11.149 1009 1HD LYS 53 HDS LYS 53 -14.699 21.579 9.469 1010 2HD LYS 53 HDR LYS 53 -13.894 22.570 10.655 1011 1HE LYS 53 HES LYS 53 -12.990 21.847 7.900 1012 2HE LYS 53 HER LYS 53 -13.112 23.442 8.697 1013 1HZ LYS 53 HZC LYS 53 -11.331 22.341 10.222 1014 2HZ LYS 53 HZA LYS 53 -11.020 21.452 8.888 1015 3HZ LYS 53 HZB LYS 53 -10.910 23.080 8.828 1016 H THR 54 HN THR 54 -13.977 15.917 9.064 1017 HA THR 54 HA THR 54 -13.204 14.251 7.704 1018 HB THR 54 HB THR 54 -13.292 16.362 6.242 1019 HG1 THR 54 HG1 THR 54 -12.837 15.302 4.799 1020 1HG2 THR 54 HMG THR 54 -10.324 16.299 6.761 1021 2HG2 THR 54 HMG THR 54 -10.993 16.925 5.232 1022 3HG2 THR 54 HMG THR 54 -11.445 17.684 6.779 1023 H ILE 55 HN ILE 55 -11.025 13.503 6.484 1024 HA ILE 55 HA ILE 55 -8.888 13.432 8.562 1025 HB ILE 55 HB ILE 55 -9.581 11.346 6.434 1026 1HG1 ILE 55 HG1 ILE 55 -9.742 10.498 9.230 1027 2HG1 ILE 55 HG1 ILE 55 -10.819 11.882 8.885 1028 1HG2 ILE 55 HMG ILE 55 -7.174 11.428 6.925 1029 2HG2 ILE 55 HMG ILE 55 -7.531 11.184 8.656 1030 3HG2 ILE 55 HMG ILE 55 -7.933 9.910 7.474 1031 1HD1 ILE 55 HMD ILE 55 -11.842 10.621 7.042 1032 2HD1 ILE 55 HMD ILE 55 -10.774 9.238 7.399 1033 3HD1 ILE 55 HMD ILE 55 -11.988 9.760 8.597 1034 H LYS 56 HN LYS 56 -6.840 13.888 7.997 1035 HA LYS 56 HA LYS 56 -6.507 15.114 5.301 1036 1HB LYS 56 HBR LYS 56 -5.760 15.997 8.082 1037 2HB LYS 56 HBS LYS 56 -4.827 16.565 6.667 1038 1HG LYS 56 HGR LYS 56 -7.676 16.851 6.187 1039 2HG LYS 56 HGS LYS 56 -7.210 17.656 7.714 1040 1HD LYS 56 HDS LYS 56 -5.675 18.090 5.165 1041 2HD LYS 56 HDR LYS 56 -7.146 18.961 5.504 1042 1HE LYS 56 HES LYS 56 -6.254 19.984 7.444 1043 2HE LYS 56 HER LYS 56 -4.832 18.902 7.415 1044 1HZ LYS 56 HZA LYS 56 -4.244 19.931 5.300 1045 2HZ LYS 56 HZB LYS 56 -5.484 20.984 5.446 1046 3HZ LYS 56 HZC LYS 56 -4.258 21.009 6.526 1047 H ALA 57 HN ALA 57 -4.049 15.678 5.017 1048 HA ALA 57 HA ALA 57 -2.595 13.341 4.648 1049 1HB ALA 57 HMB ALA 57 -2.220 15.598 3.599 1050 2HB ALA 57 HMB ALA 57 -1.370 16.071 5.091 1051 3HB ALA 57 HMB ALA 57 -0.750 14.726 4.100 1052 H GLU 58 HN GLU 58 -2.361 15.700 7.320 1053 HA GLU 58 HA GLU 58 -0.403 14.431 8.846 1054 1HB GLU 58 HBR GLU 58 -2.802 16.134 9.445 1055 2HB GLU 58 HBS GLU 58 -1.966 15.411 10.708 1056 1HG GLU 58 HGS GLU 58 -1.271 17.803 9.997 1057 2HG GLU 58 HGR GLU 58 0.004 16.659 10.497 1058 H ASP 59 HN ASP 59 -3.842 13.704 8.496 1059 HA ASP 59 HA ASP 59 -3.934 12.080 10.828 1060 1HB ASP 59 HBS ASP 59 -5.923 12.460 8.594 1061 2HB ASP 59 HBR ASP 59 -6.226 11.519 10.084 1062 H ILE 60 HN ILE 60 -3.341 11.405 7.453 1063 HA ILE 60 HA ILE 60 -3.700 8.521 7.723 1064 HB ILE 60 HB ILE 60 -3.419 10.386 5.580 1065 1HG1 ILE 60 HG1 ILE 60 -4.039 8.342 4.251 1066 2HG1 ILE 60 HG1 ILE 60 -3.876 7.395 5.760 1067 1HG2 ILE 60 HMG ILE 60 -0.980 9.881 5.517 1068 2HG2 ILE 60 HMG ILE 60 -1.391 8.175 5.200 1069 3HG2 ILE 60 HMG ILE 60 -1.888 9.441 4.047 1070 1HD1 ILE 60 HMD ILE 60 -5.540 9.074 6.768 1071 2HD1 ILE 60 HMD ILE 60 -5.874 9.555 5.082 1072 3HD1 ILE 60 HMD ILE 60 -6.174 7.877 5.606 1073 H GLU 61 HN GLU 61 -1.038 10.885 7.845 1074 HA GLU 61 HA GLU 61 1.059 8.954 8.414 1075 1HB GLU 61 HBR GLU 61 0.625 11.913 8.606 1076 2HB GLU 61 HBS GLU 61 1.832 11.217 9.540 1077 1HG GLU 61 HGS GLU 61 2.762 10.059 7.508 1078 2HG GLU 61 HGR GLU 61 1.757 11.132 6.497 1079 H LEU 62 HN LEU 62 -1.555 10.474 10.141 1080 HA LEU 62 HA LEU 62 -0.614 9.969 12.831 1081 1HB LEU 62 HBR LEU 62 -2.539 11.478 11.794 1082 2HB LEU 62 HBS LEU 62 -3.509 10.005 12.086 1083 HG LEU 62 HG LEU 62 -3.084 10.115 14.439 1084 1HD1 LEU 62 HMD LEU 62 -0.790 11.569 13.674 1085 2HD1 LEU 62 HMD LEU 62 -1.802 12.696 14.613 1086 3HD1 LEU 62 HMD LEU 62 -1.311 11.136 15.321 1087 1HD2 LEU 62 HMD LEU 62 -4.497 11.981 12.922 1088 2HD2 LEU 62 HMD LEU 62 -4.700 11.645 14.660 1089 3HD2 LEU 62 HMD LEU 62 -3.626 12.962 14.126 1090 H ALA 63 HN ALA 63 -2.959 8.304 10.687 1091 HA ALA 63 HA ALA 63 -3.169 5.975 12.227 1092 1HB ALA 63 HMB ALA 63 -3.692 6.687 9.365 1093 2HB ALA 63 HMB ALA 63 -3.788 4.984 9.882 1094 3HB ALA 63 HMB ALA 63 -4.823 6.210 10.657 1095 H VAL 64 HN VAL 64 -0.754 6.978 9.895 1096 HA VAL 64 HA VAL 64 0.504 4.401 9.520 1097 HB VAL 64 HB VAL 64 1.307 7.270 9.055 1098 1HG1 VAL 64 HMG VAL 64 3.110 5.047 9.310 1099 2HG1 VAL 64 HMG VAL 64 3.086 5.607 7.621 1100 3HG1 VAL 64 HMG VAL 64 3.456 6.752 8.933 1101 1HG2 VAL 64 HMG VAL 64 -0.332 5.650 7.618 1102 2HG2 VAL 64 HMG VAL 64 0.597 7.018 6.959 1103 3HG2 VAL 64 HMG VAL 64 1.234 5.362 6.820 1104 H ARG 65 HN ARG 65 1.848 7.278 11.145 1105 HA ARG 65 HA ARG 65 3.547 5.995 12.811 1106 1HB ARG 65 HBR ARG 65 2.329 8.638 12.735 1107 2HB ARG 65 HBS ARG 65 2.675 8.112 14.409 1108 1HG ARG 65 HGS ARG 65 4.781 8.765 14.114 1109 2HG ARG 65 HGR ARG 65 4.969 7.460 12.909 1110 1HD ARG 65 HDS ARG 65 3.621 9.893 11.948 1111 2HD ARG 65 HDR ARG 65 5.334 10.092 12.414 1112 HE ARG 65 HE ARG 65 4.391 8.882 10.042 1113 1HH1 ARG 65 HH1 ARG 65 6.884 8.528 12.510 1114 2HH1 ARG 65 HH1 ARG 65 7.874 7.511 11.519 1115 1HH2 ARG 65 HH2 ARG 65 5.649 7.440 8.826 1116 2HH2 ARG 65 HH2 ARG 65 7.175 6.892 9.435 1117 H ARG 66 HN ARG 66 0.130 5.980 13.090 1118 HA ARG 66 HA ARG 66 -0.080 5.278 15.833 1119 1HB ARG 66 HBR ARG 66 -1.929 5.958 14.144 1120 2HB ARG 66 HBS ARG 66 -1.960 4.221 13.725 1121 1HG ARG 66 HGS ARG 66 -3.683 4.572 15.316 1122 2HG ARG 66 HGR ARG 66 -2.350 3.754 16.180 1123 1HD ARG 66 HDS ARG 66 -1.615 6.221 16.688 1124 2HD ARG 66 HDR ARG 66 -3.341 6.559 16.377 1125 HE ARG 66 HE ARG 66 -3.735 4.729 18.141 1126 1HH1 ARG 66 HH1 ARG 66 -1.160 7.137 18.191 1127 2HH1 ARG 66 HH1 ARG 66 -0.883 6.965 19.891 1128 1HH2 ARG 66 HH2 ARG 66 -3.260 4.443 20.339 1129 2HH2 ARG 66 HH2 ARG 66 -2.072 5.442 21.108 1130 H PHE 67 HN PHE 67 0.126 3.265 12.883 1131 HA PHE 67 HA PHE 67 0.604 0.783 14.117 1132 1HB PHE 67 HBR PHE 67 2.196 1.648 11.689 1133 2HB PHE 67 HBS PHE 67 1.590 0.026 12.132 1134 HD1 PHE 67 HD1 PHE 67 -1.010 0.000 12.519 1135 HD2 PHE 67 HD2 PHE 67 1.006 2.680 9.888 1136 HE1 PHE 67 HE1 PHE 67 -3.056 0.192 11.180 1137 HE2 PHE 67 HE2 PHE 67 -1.053 2.907 8.537 1138 HZ PHE 67 HZ PHE 67 -3.039 1.538 9.112 1139 H LYS 68 HN LYS 68 2.820 3.479 13.419 1140 HA LYS 68 HA LYS 68 4.925 3.980 14.181 1141 1HB LYS 68 HBR LYS 68 4.807 1.744 16.195 1142 2HB LYS 68 HBS LYS 68 5.686 3.299 16.261 1143 1HG LYS 68 HGR LYS 68 3.732 4.511 16.802 1144 2HG LYS 68 HGS LYS 68 2.660 3.172 16.303 1145 1HD LYS 68 HDS LYS 68 2.718 3.401 18.714 1146 2HD LYS 68 HDR LYS 68 3.284 1.851 18.155 1147 1HE LYS 68 HES LYS 68 5.593 2.479 18.495 1148 2HE LYS 68 HER LYS 68 5.078 4.123 18.966 1149 1HZ LYS 68 HZC LYS 68 3.675 2.677 20.638 1150 2HZ LYS 68 HZA LYS 68 4.944 1.664 20.460 1151 3HZ LYS 68 HZB LYS 68 5.186 3.194 20.980 1152 H LYS 69 HN LYS 69 7.018 2.472 14.969 1153 HA LYS 69 HA LYS 69 7.092 -0.143 13.796 1154 1HB LYS 69 HBR LYS 69 7.428 1.474 11.796 1155 2HB LYS 69 HBS LYS 69 9.036 1.772 12.515 1156 1HG LYS 69 HGR LYS 69 9.614 0.060 11.122 1157 2HG LYS 69 HGS LYS 69 9.071 -0.918 12.515 1158 1HD LYS 69 HDS LYS 69 6.731 -0.697 11.296 1159 2HD LYS 69 HDR LYS 69 7.739 -0.414 9.903 1160 1HE LYS 69 HES LYS 69 8.612 -2.711 11.487 1161 2HE LYS 69 HER LYS 69 6.964 -2.853 10.815 1162 1HZ LYS 69 HZA LYS 69 8.194 -1.982 8.714 1163 2HZ LYS 69 HZB LYS 69 9.498 -2.656 9.429 1164 3HZ LYS 69 HZC LYS 69 8.191 -3.572 9.086 No H/Q in entry = 1164 Start of MODEL 4 Raw file had 1198 H/Q atoms Start of MODEL 4 1 1H MET 1 HNC MET 1 2.823 4.366 -9.391 2 2H MET 1 HN MET 1 3.591 4.330 -10.831 3 3H MET 1 HNB MET 1 4.387 4.827 -9.494 4 HA MET 1 HA MET 1 3.622 6.859 -9.534 5 1HB MET 1 HBS MET 1 4.217 5.919 -12.015 6 2HB MET 1 HBR MET 1 2.570 6.541 -12.284 7 1HG MET 1 HGS MET 1 4.677 8.195 -10.834 8 2HG MET 1 HGR MET 1 4.591 8.154 -12.610 9 1HE MET 1 HME MET 1 3.516 9.768 -13.775 10 2HE MET 1 HME MET 1 2.298 10.947 -13.227 11 3HE MET 1 HME MET 1 3.940 10.976 -12.536 12 H GLU 2 HN GLU 2 1.989 7.565 -8.390 13 HA GLU 2 HA GLU 2 -0.122 8.276 -7.832 14 1HB GLU 2 HBS GLU 2 0.233 8.259 -10.671 15 2HB GLU 2 HBR GLU 2 -1.393 7.985 -10.366 16 1HG GLU 2 HGS GLU 2 -1.442 10.057 -8.943 17 2HG GLU 2 HGR GLU 2 0.283 10.353 -9.293 18 H LEU 3 HN LEU 3 -0.820 6.652 -6.512 19 HA LEU 3 HA LEU 3 -2.624 4.610 -7.609 20 1HB LEU 3 HBR LEU 3 -2.577 5.353 -4.727 21 2HB LEU 3 HBS LEU 3 -2.664 3.749 -5.506 22 HG LEU 3 HG LEU 3 -0.200 5.448 -5.038 23 1HD1 LEU 3 HMD LEU 3 -1.549 3.493 -3.492 24 2HD1 LEU 3 HMD LEU 3 -0.079 2.723 -4.141 25 3HD1 LEU 3 HMD LEU 3 0.047 4.228 -3.196 26 1HD2 LEU 3 HMD LEU 3 -0.739 3.695 -7.164 27 2HD2 LEU 3 HMD LEU 3 0.850 4.307 -6.638 28 3HD2 LEU 3 HMD LEU 3 0.241 2.754 -6.012 29 HA PRO 4 HA PRO 4 -5.512 7.941 -8.202 30 1HB PRO 4 HBR PRO 4 -7.446 6.289 -9.114 31 2HB PRO 4 HBS PRO 4 -6.399 7.144 -10.048 32 1HG PRO 4 HGR PRO 4 -6.357 4.405 -9.471 33 2HG PRO 4 HGS PRO 4 -5.647 5.228 -10.738 34 1HD PRO 4 HDR PRO 4 -4.320 4.258 -8.642 35 2HD PRO 4 HDS PRO 4 -3.747 5.440 -9.647 36 H ILE 5 HN ILE 5 -7.112 8.930 -7.160 37 HA ILE 5 HA ILE 5 -7.360 7.843 -4.477 38 HB ILE 5 HB ILE 5 -8.379 10.065 -3.966 39 1HG1 ILE 5 HG1 ILE 5 -8.088 11.764 -5.994 40 2HG1 ILE 5 HG1 ILE 5 -8.316 10.280 -6.961 41 1HG2 ILE 5 HMG ILE 5 -5.840 9.602 -4.146 42 2HG2 ILE 5 HMG ILE 5 -5.925 10.631 -5.601 43 3HG2 ILE 5 HMG ILE 5 -6.415 11.285 -4.015 44 1HD1 ILE 5 HMD ILE 5 -10.299 10.497 -4.845 45 2HD1 ILE 5 HMD ILE 5 -10.307 11.925 -5.913 46 3HD1 ILE 5 HMD ILE 5 -10.515 10.293 -6.604 47 H ALA 6 HN ALA 6 -9.232 7.724 -7.312 48 HA ALA 6 HA ALA 6 -11.821 7.332 -6.129 49 1HB ALA 6 HMB ALA 6 -10.502 6.602 -8.725 50 2HB ALA 6 HMB ALA 6 -12.065 5.869 -8.281 51 3HB ALA 6 HMB ALA 6 -11.916 7.640 -8.416 52 HA PRO 7 HA PRO 7 -10.391 2.666 -6.194 53 1HB PRO 7 HBS PRO 7 -7.665 2.554 -6.190 54 2HB PRO 7 HBR PRO 7 -8.659 1.973 -7.359 55 1HG PRO 7 HGR PRO 7 -7.095 4.279 -7.397 56 2HG PRO 7 HGS PRO 7 -7.842 3.503 -8.671 57 1HD PRO 7 HDR PRO 7 -8.643 5.826 -7.619 58 2HD PRO 7 HDS PRO 7 -9.573 4.855 -8.581 59 H ILE 8 HN ILE 8 -7.715 4.385 -4.775 60 HA ILE 8 HA ILE 8 -7.848 3.174 -2.281 61 HB ILE 8 HB ILE 8 -6.921 5.990 -3.023 62 1HG1 ILE 8 HG1 ILE 8 -5.530 3.296 -2.879 63 2HG1 ILE 8 HG1 ILE 8 -5.772 4.340 -4.308 64 1HG2 ILE 8 HMG ILE 8 -7.357 5.650 -0.561 65 2HG2 ILE 8 HMG ILE 8 -6.058 4.429 -0.588 66 3HG2 ILE 8 HMG ILE 8 -5.697 6.125 -1.008 67 1HD1 ILE 8 HMD ILE 8 -4.164 5.318 -1.959 68 2HD1 ILE 8 HMD ILE 8 -3.436 4.235 -3.176 69 3HD1 ILE 8 HMD ILE 8 -4.096 5.816 -3.671 70 H GLY 9 HN GLY 9 -9.286 6.315 -3.235 71 1HA GLY 9 HAR GLY 9 -10.365 6.980 -0.811 72 2HA GLY 9 HAS GLY 9 -11.054 7.519 -2.366 73 H ARG 10 HN ARG 10 -11.613 4.682 -3.147 74 HA ARG 10 HA ARG 10 -14.210 4.441 -1.906 75 1HB ARG 10 HBR ARG 10 -13.619 3.935 -4.332 76 2HB ARG 10 HBS ARG 10 -12.889 2.418 -3.731 77 1HG ARG 10 HGS ARG 10 -14.883 1.420 -3.504 78 2HG ARG 10 HGR ARG 10 -15.623 2.863 -2.754 79 1HD ARG 10 HDS ARG 10 -15.031 3.258 -5.566 80 2HD ARG 10 HDR ARG 10 -16.104 1.857 -5.287 81 HE ARG 10 HE ARG 10 -16.962 4.142 -3.777 82 1HH1 ARG 10 HH1 ARG 10 -17.145 2.532 -6.908 83 2HH1 ARG 10 HH1 ARG 10 -18.511 3.460 -7.428 84 1HH2 ARG 10 HH2 ARG 10 -18.666 5.426 -4.543 85 2HH2 ARG 10 HH2 ARG 10 -19.373 5.098 -6.091 86 H ILE 11 HN ILE 11 -11.143 2.657 -1.773 87 HA ILE 11 HA ILE 11 -11.884 0.700 0.155 88 HB ILE 11 HB ILE 11 -9.224 2.130 -0.323 89 1HG1 ILE 11 HG1 ILE 11 -10.103 -0.614 -1.287 90 2HG1 ILE 11 HG1 ILE 11 -10.326 0.881 -2.239 91 1HG2 ILE 11 HMG ILE 11 -9.723 0.763 1.914 92 2HG2 ILE 11 HMG ILE 11 -9.298 -0.601 0.846 93 3HG2 ILE 11 HMG ILE 11 -8.141 0.735 1.091 94 1HD1 ILE 11 HMD ILE 11 -7.667 -0.226 -1.286 95 2HD1 ILE 11 HMD ILE 11 -8.333 -0.378 -2.934 96 3HD1 ILE 11 HMD ILE 11 -7.913 1.230 -2.287 97 H ILE 12 HN ILE 12 -10.267 3.868 0.631 98 HA ILE 12 HA ILE 12 -10.524 3.886 3.437 99 HB ILE 12 HB ILE 12 -10.493 6.403 1.719 100 1HG1 ILE 12 HG1 ILE 12 -8.879 5.092 0.624 101 2HG1 ILE 12 HG1 ILE 12 -7.962 6.157 1.726 102 1HG2 ILE 12 HMG ILE 12 -10.228 5.917 4.493 103 2HG2 ILE 12 HMG ILE 12 -8.636 6.442 3.885 104 3HG2 ILE 12 HMG ILE 12 -10.076 7.457 3.606 105 1HD1 ILE 12 HMD ILE 12 -8.684 3.309 2.444 106 2HD1 ILE 12 HMD ILE 12 -7.197 3.741 1.559 107 3HD1 ILE 12 HMD ILE 12 -7.474 4.380 3.202 108 H LYS 13 HN LYS 13 -12.786 4.658 0.901 109 HA LYS 13 HA LYS 13 -14.756 5.906 2.533 110 1HB LYS 13 HBR LYS 13 -14.688 4.608 -0.154 111 2HB LYS 13 HBS LYS 13 -16.277 4.785 0.643 112 1HG LYS 13 HGR LYS 13 -14.604 7.224 0.690 113 2HG LYS 13 HGS LYS 13 -15.084 6.684 -0.944 114 1HD LYS 13 HDS LYS 13 -17.059 7.016 1.306 115 2HD LYS 13 HDR LYS 13 -16.572 8.337 0.279 116 1HE LYS 13 HES LYS 13 -17.506 7.406 -1.641 117 2HE LYS 13 HER LYS 13 -17.589 5.783 -0.900 118 1HZ LYS 13 HZC LYS 13 -19.250 6.658 0.606 119 2HZ LYS 13 HZA LYS 13 -19.197 8.119 -0.122 120 3HZ LYS 13 HZB LYS 13 -19.731 6.815 -0.948 121 H ASP 14 HN ASP 14 -14.279 2.515 1.503 122 HA ASP 14 HA ASP 14 -16.355 1.383 2.826 123 1HB ASP 14 HBS ASP 14 -14.781 0.270 1.259 124 2HB ASP 14 HBR ASP 14 -13.637 0.102 2.623 125 H ALA 15 HN ALA 15 -13.222 2.259 4.196 126 HA ALA 15 HA ALA 15 -13.622 1.579 6.864 127 1HB ALA 15 HMB ALA 15 -11.645 2.753 5.646 128 2HB ALA 15 HMB ALA 15 -12.489 4.255 6.103 129 3HB ALA 15 HMB ALA 15 -11.962 3.110 7.363 130 H GLY 16 HN GLY 16 -14.780 4.457 5.109 131 1HA GLY 16 HAR GLY 16 -16.880 5.495 6.097 132 2HA GLY 16 HAS GLY 16 -16.002 5.471 7.647 133 H ALA 17 HN ALA 17 -13.859 5.999 5.078 134 HA ALA 17 HA ALA 17 -13.377 8.729 5.505 135 1HB ALA 17 HMB ALA 17 -11.962 6.967 4.332 136 2HB ALA 17 HMB ALA 17 -12.930 7.325 2.879 137 3HB ALA 17 HMB ALA 17 -11.971 8.614 3.651 138 H GLU 18 HN GLU 18 -13.331 9.969 3.097 139 HA GLU 18 HA GLU 18 -14.553 11.531 1.948 140 1HB GLU 18 HBR GLU 18 -16.234 9.270 1.782 141 2HB GLU 18 HBS GLU 18 -17.171 10.442 2.531 142 1HG GLU 18 HGS GLU 18 -15.772 10.890 -0.089 143 2HG GLU 18 HGR GLU 18 -17.519 10.553 0.052 144 H ARG 19 HN ARG 19 -14.072 10.985 4.899 145 HA ARG 19 HA ARG 19 -15.491 13.496 5.630 146 1HB ARG 19 HBS ARG 19 -14.136 11.575 7.552 147 2HB ARG 19 HBR ARG 19 -14.975 13.099 7.959 148 1HG ARG 19 HGS ARG 19 -16.413 10.805 6.619 149 2HG ARG 19 HGR ARG 19 -16.201 10.878 8.391 150 1HD ARG 19 HDS ARG 19 -17.216 13.303 7.013 151 2HD ARG 19 HDR ARG 19 -18.310 11.897 7.139 152 HE ARG 19 HE ARG 19 -18.382 12.178 9.463 153 1HH1 ARG 19 HH1 ARG 19 -16.353 14.613 7.918 154 2HH1 ARG 19 HH1 ARG 19 -16.130 15.511 9.382 155 1HH2 ARG 19 HH2 ARG 19 -17.968 13.313 11.381 156 2HH2 ARG 19 HH2 ARG 19 -17.046 14.778 11.341 157 H VAL 20 HN VAL 20 -13.173 12.774 3.863 158 HA VAL 20 HA VAL 20 -10.901 13.812 5.459 159 HB VAL 20 HB VAL 20 -10.804 12.010 3.037 160 1HG1 VAL 20 HMG VAL 20 -8.781 12.856 5.098 161 2HG1 VAL 20 HMG VAL 20 -8.602 11.331 4.198 162 3HG1 VAL 20 HMG VAL 20 -8.668 12.879 3.322 163 1HG2 VAL 20 HMG VAL 20 -11.543 11.375 5.804 164 2HG2 VAL 20 HMG VAL 20 -11.786 10.457 4.299 165 3HG2 VAL 20 HMG VAL 20 -10.225 10.373 5.149 166 H SER 21 HN SER 21 -9.101 14.724 4.082 167 HA SER 21 HA SER 21 -10.197 16.325 1.824 168 1HB SER 21 HBS SER 21 -9.726 17.793 3.594 169 2HB SER 21 HBR SER 21 -8.161 17.008 3.953 170 HG SER 21 HG SER 21 -7.186 17.828 2.250 171 H ASP 22 HN ASP 22 -8.464 17.123 0.326 172 HA ASP 22 HA ASP 22 -7.514 14.855 -0.986 173 1HB ASP 22 HBR ASP 22 -6.763 17.739 -1.464 174 2HB ASP 22 HBS ASP 22 -6.460 16.373 -2.576 175 H ASP 23 HN ASP 23 -5.928 16.946 1.312 176 HA ASP 23 HA ASP 23 -3.300 16.121 0.926 177 1HB ASP 23 HBS ASP 23 -4.439 17.889 2.539 178 2HB ASP 23 HBR ASP 23 -4.168 16.579 3.723 179 H ALA 24 HN ALA 24 -5.610 14.756 3.298 180 HA ALA 24 HA ALA 24 -3.975 12.682 4.145 181 1HB ALA 24 HMB ALA 24 -6.639 13.536 4.554 182 2HB ALA 24 HMB ALA 24 -6.706 11.801 4.156 183 3HB ALA 24 HMB ALA 24 -5.689 12.366 5.506 184 H ARG 25 HN ARG 25 -6.520 12.567 1.629 185 HA ARG 25 HA ARG 25 -6.424 9.796 1.243 186 1HB ARG 25 HBR ARG 25 -7.383 10.395 -1.085 187 2HB ARG 25 HBS ARG 25 -8.320 10.792 0.385 188 1HG ARG 25 HGS ARG 25 -8.169 13.025 0.043 189 2HG ARG 25 HGR ARG 25 -6.518 12.923 -0.634 190 1HD ARG 25 HDS ARG 25 -8.084 11.599 -2.484 191 2HD ARG 25 HDR ARG 25 -9.102 12.970 -1.961 192 HE ARG 25 HE ARG 25 -6.299 13.474 -2.778 193 1HH1 ARG 25 HH1 ARG 25 -9.724 13.601 -3.607 194 2HH1 ARG 25 HH1 ARG 25 -9.518 14.909 -4.722 195 1HH2 ARG 25 HH2 ARG 25 -6.090 15.270 -4.145 196 2HH2 ARG 25 HH2 ARG 25 -7.461 15.852 -5.029 197 H ILE 26 HN ILE 26 -4.652 12.409 -0.384 198 HA ILE 26 HA ILE 26 -3.133 10.765 -2.165 199 HB ILE 26 HB ILE 26 -2.512 13.464 -0.866 200 1HG1 ILE 26 HG1 ILE 26 -3.537 12.843 -3.662 201 2HG1 ILE 26 HG1 ILE 26 -4.583 13.266 -2.278 202 1HG2 ILE 26 HMG ILE 26 -0.482 12.251 -1.687 203 2HG2 ILE 26 HMG ILE 26 -1.192 12.297 -3.322 204 3HG2 ILE 26 HMG ILE 26 -0.799 13.818 -2.477 205 1HD1 ILE 26 HMD ILE 26 -2.341 15.100 -3.085 206 2HD1 ILE 26 HMD ILE 26 -3.878 15.103 -3.990 207 3HD1 ILE 26 HMD ILE 26 -3.870 15.469 -2.243 208 H THR 27 HN THR 27 -2.742 11.755 1.219 209 HA THR 27 HA THR 27 -0.027 11.150 1.481 210 HB THR 27 HB THR 27 -2.242 11.179 3.607 211 HG1 THR 27 HG1 THR 27 -2.068 12.814 2.595 212 1HG2 THR 27 HMG THR 27 0.228 10.077 4.032 213 2HG2 THR 27 HMG THR 27 0.496 11.780 4.487 214 3HG2 THR 27 HMG THR 27 -0.792 10.837 5.279 215 H LEU 28 HN LEU 28 -2.862 9.134 2.306 216 HA LEU 28 HA LEU 28 -1.512 6.732 2.863 217 1HB LEU 28 HBR LEU 28 -4.057 7.624 2.852 218 2HB LEU 28 HBS LEU 28 -4.071 6.671 1.345 219 HG LEU 28 HG LEU 28 -3.809 4.655 2.441 220 1HD1 LEU 28 HMD LEU 28 -1.905 5.308 3.890 221 2HD1 LEU 28 HMD LEU 28 -3.047 6.123 4.986 222 3HD1 LEU 28 HMD LEU 28 -3.145 4.361 4.746 223 1HD2 LEU 28 HMD LEU 28 -5.884 6.254 2.995 224 2HD2 LEU 28 HMD LEU 28 -5.734 4.598 3.636 225 3HD2 LEU 28 HMD LEU 28 -5.286 5.991 4.654 226 H ALA 29 HN ALA 29 -2.914 7.830 -0.243 227 HA ALA 29 HA ALA 29 -1.903 5.916 -1.877 228 1HB ALA 29 HMB ALA 29 -3.398 7.919 -2.415 229 2HB ALA 29 HMB ALA 29 -1.887 8.809 -2.732 230 3HB ALA 29 HMB ALA 29 -2.280 7.353 -3.682 231 H LYS 30 HN LYS 30 -0.093 8.428 -0.310 232 HA LYS 30 HA LYS 30 2.301 7.863 -1.894 233 1HB LYS 30 HBR LYS 30 1.663 10.168 -1.178 234 2HB LYS 30 HBS LYS 30 1.956 9.677 0.514 235 1HG LYS 30 HGR LYS 30 4.096 10.261 0.269 236 2HG LYS 30 HGS LYS 30 4.281 8.954 -0.936 237 1HD LYS 30 HDS LYS 30 3.228 10.751 -2.551 238 2HD LYS 30 HDR LYS 30 3.804 11.866 -1.344 239 1HE LYS 30 HES LYS 30 5.651 11.845 -2.628 240 2HE LYS 30 HER LYS 30 6.025 10.439 -1.591 241 1HZ LYS 30 HZB LYS 30 4.540 9.444 -3.624 242 2HZ LYS 30 HZC LYS 30 5.514 10.525 -4.367 243 3HZ LYS 30 HZA LYS 30 6.162 9.325 -3.467 244 H ILE 31 HN ILE 31 0.942 7.085 1.236 245 HA ILE 31 HA ILE 31 3.231 5.708 2.326 246 HB ILE 31 HB ILE 31 0.237 5.744 2.767 247 1HG1 ILE 31 HG1 ILE 31 1.602 5.991 5.183 248 2HG1 ILE 31 HG1 ILE 31 2.676 6.784 3.993 249 1HG2 ILE 31 HMG ILE 31 1.764 3.370 3.228 250 2HG2 ILE 31 HMG ILE 31 1.321 4.098 4.794 251 3HG2 ILE 31 HMG ILE 31 0.055 3.715 3.599 252 1HD1 ILE 31 HMD ILE 31 -0.225 7.463 3.886 253 2HD1 ILE 31 HMD ILE 31 0.715 8.088 5.267 254 3HD1 ILE 31 HMD ILE 31 1.209 8.485 3.600 255 H LEU 32 HN LEU 32 0.255 4.378 0.838 256 HA LEU 32 HA LEU 32 1.173 1.820 0.610 257 1HB LEU 32 HBS LEU 32 -0.954 3.475 -0.647 258 2HB LEU 32 HBR LEU 32 -0.617 1.887 -1.393 259 HG LEU 32 HG LEU 32 -2.509 1.935 0.254 260 1HD1 LEU 32 HMD LEU 32 -0.165 0.156 0.141 261 2HD1 LEU 32 HMD LEU 32 -1.160 -0.032 1.607 262 3HD1 LEU 32 HMD LEU 32 -1.902 -0.213 -0.003 263 1HD2 LEU 32 HMD LEU 32 -0.211 2.332 2.196 264 2HD2 LEU 32 HMD LEU 32 -1.581 3.437 1.915 265 3HD2 LEU 32 HMD LEU 32 -1.861 1.838 2.649 266 H GLU 33 HN GLU 33 1.474 4.408 -1.798 267 HA GLU 33 HA GLU 33 2.549 2.765 -3.831 268 1HB GLU 33 HBS GLU 33 2.969 4.724 -4.942 269 2HB GLU 33 HBR GLU 33 1.508 4.947 -4.149 270 1HG GLU 33 HGS GLU 33 2.442 6.966 -3.611 271 2HG GLU 33 HGR GLU 33 3.257 6.090 -2.288 272 H GLU 34 HN GLU 34 4.146 4.816 -1.380 273 HA GLU 34 HA GLU 34 6.829 4.511 -2.426 274 1HB GLU 34 HBS GLU 34 6.194 6.330 -1.108 275 2HB GLU 34 HBR GLU 34 5.541 5.415 0.137 276 1HG GLU 34 HGS GLU 34 8.079 4.466 0.202 277 2HG GLU 34 HGR GLU 34 8.445 6.062 -0.509 278 H MET 35 HN MET 35 4.997 3.043 0.286 279 HA MET 35 HA MET 35 6.791 1.009 0.934 280 1HB MET 35 HBR MET 35 3.929 1.534 1.341 281 2HB MET 35 HBS MET 35 4.346 -0.197 1.279 282 1HG MET 35 HGS MET 35 4.642 0.336 3.565 283 2HG MET 35 HGR MET 35 6.285 0.407 2.889 284 1HE MET 35 HME MET 35 7.429 2.158 2.193 285 2HE MET 35 HME MET 35 6.910 3.849 1.984 286 3HE MET 35 HME MET 35 7.681 3.336 3.506 287 H GLY 36 HN GLY 36 4.377 1.162 -1.654 288 1HA GLY 36 HAR GLY 36 4.444 -1.544 -2.369 289 2HA GLY 36 HAS GLY 36 3.924 -0.212 -3.438 290 H ARG 37 HN ARG 37 6.135 1.227 -3.896 291 HA ARG 37 HA ARG 37 7.865 -0.285 -5.584 292 1HB ARG 37 HBS ARG 37 7.512 2.159 -5.770 293 2HB ARG 37 HBR ARG 37 8.398 2.381 -4.233 294 1HG ARG 37 HGS ARG 37 10.445 1.861 -5.181 295 2HG ARG 37 HGR ARG 37 9.710 0.935 -6.520 296 1HD ARG 37 HDS ARG 37 10.725 3.190 -7.074 297 2HD ARG 37 HDR ARG 37 9.067 2.866 -7.654 298 HE ARG 37 HE ARG 37 9.537 4.408 -5.156 299 1HH1 ARG 37 HH1 ARG 37 8.439 4.322 -8.505 300 2HH1 ARG 37 HH1 ARG 37 7.431 5.720 -8.325 301 1HH2 ARG 37 HH2 ARG 37 8.113 6.158 -4.926 302 2HH2 ARG 37 HH2 ARG 37 7.249 6.761 -6.301 303 H ASP 38 HN ASP 38 7.716 0.178 -2.170 304 HA ASP 38 HA ASP 38 10.481 -0.403 -1.744 305 1HB ASP 38 HBS ASP 38 8.855 1.048 -0.363 306 2HB ASP 38 HBR ASP 38 8.443 -0.491 0.447 307 H ILE 39 HN ILE 39 7.488 -2.261 -1.215 308 HA ILE 39 HA ILE 39 8.755 -4.720 -0.465 309 HB ILE 39 HB ILE 39 6.115 -4.363 -1.965 310 1HG1 ILE 39 HG1 ILE 39 6.546 -4.294 1.045 311 2HG1 ILE 39 HG1 ILE 39 6.315 -2.852 0.017 312 1HG2 ILE 39 HMG ILE 39 7.113 -6.530 -0.104 313 2HG2 ILE 39 HMG ILE 39 5.443 -6.396 -0.719 314 3HG2 ILE 39 HMG ILE 39 6.792 -6.666 -1.853 315 1HD1 ILE 39 HMD ILE 39 4.268 -5.023 -0.113 316 2HD1 ILE 39 HMD ILE 39 4.305 -3.978 1.333 317 3HD1 ILE 39 HMD ILE 39 4.084 -3.257 -0.285 318 H ALA 40 HN ALA 40 8.431 -2.974 -3.440 319 HA ALA 40 HA ALA 40 8.523 -5.214 -5.281 320 1HB ALA 40 HMB ALA 40 8.517 -2.281 -5.394 321 2HB ALA 40 HMB ALA 40 9.551 -3.053 -6.624 322 3HB ALA 40 HMB ALA 40 7.827 -3.488 -6.509 323 H SER 41 HN SER 41 10.936 -2.612 -4.857 324 HA SER 41 HA SER 41 13.018 -4.126 -5.968 325 1HB SER 41 HBR SER 41 12.698 -1.505 -5.265 326 2HB SER 41 HBS SER 41 13.883 -2.070 -4.051 327 HG SER 41 HG SER 41 14.519 -1.150 -6.271 328 H GLU 42 HN GLU 42 11.697 -4.153 -2.785 329 HA GLU 42 HA GLU 42 13.872 -5.576 -1.483 330 1HB GLU 42 HBR GLU 42 10.989 -4.967 -1.026 331 2HB GLU 42 HBS GLU 42 11.583 -6.371 -0.326 332 1HG GLU 42 HGR GLU 42 12.447 -3.560 0.366 333 2HG GLU 42 HGS GLU 42 11.911 -4.914 1.396 334 H ALA 43 HN ALA 43 10.630 -6.679 -2.564 335 HA ALA 43 HA ALA 43 11.203 -9.385 -2.636 336 1HB ALA 43 HMB ALA 43 9.232 -7.690 -4.164 337 2HB ALA 43 HMB ALA 43 9.302 -9.461 -4.345 338 3HB ALA 43 HMB ALA 43 8.961 -8.742 -2.751 339 H ILE 44 HN ILE 44 12.314 -6.938 -4.762 340 HA ILE 44 HA ILE 44 12.908 -8.771 -6.921 341 HB ILE 44 HB ILE 44 13.472 -5.813 -6.415 342 1HG1 ILE 44 HG1 ILE 44 11.643 -7.072 -8.478 343 2HG1 ILE 44 HG1 ILE 44 11.120 -6.749 -6.800 344 1HG2 ILE 44 HMG ILE 44 15.043 -7.269 -8.083 345 2HG2 ILE 44 HMG ILE 44 13.732 -6.773 -9.186 346 3HG2 ILE 44 HMG ILE 44 14.658 -5.540 -8.291 347 1HD1 ILE 44 HMD ILE 44 11.595 -4.358 -7.121 348 2HD1 ILE 44 HMD ILE 44 12.105 -4.689 -8.798 349 3HD1 ILE 44 HMD ILE 44 10.411 -4.961 -8.310 350 H LYS 45 HN LYS 45 14.927 -6.741 -4.758 351 HA LYS 45 HA LYS 45 17.388 -8.115 -5.173 352 1HB LYS 45 HBR LYS 45 16.898 -5.917 -3.879 353 2HB LYS 45 HBS LYS 45 16.559 -7.001 -2.499 354 1HG LYS 45 HGR LYS 45 19.024 -7.855 -3.629 355 2HG LYS 45 HGS LYS 45 19.097 -6.073 -3.513 356 1HD LYS 45 HDS LYS 45 18.807 -6.062 -1.218 357 2HD LYS 45 HDR LYS 45 18.108 -7.658 -1.194 358 1HE LYS 45 HES LYS 45 20.314 -8.616 -1.821 359 2HE LYS 45 HER LYS 45 20.996 -6.973 -1.666 360 1HZ LYS 45 HZC LYS 45 19.539 -8.284 0.513 361 2HZ LYS 45 HZA LYS 45 21.154 -8.439 0.326 362 3HZ LYS 45 HZB LYS 45 20.501 -6.967 0.594 363 H LEU 46 HN LEU 46 14.441 -9.042 -3.672 364 HA LEU 46 HA LEU 46 15.543 -11.066 -1.977 365 1HB LEU 46 HBS LEU 46 12.953 -9.959 -2.783 366 2HB LEU 46 HBR LEU 46 12.898 -11.716 -2.466 367 HG LEU 46 HG LEU 46 13.682 -11.380 -0.210 368 1HD1 LEU 46 HMD LEU 46 14.750 -9.029 -1.273 369 2HD1 LEU 46 HMD LEU 46 13.478 -8.476 -0.153 370 3HD1 LEU 46 HMD LEU 46 14.780 -9.543 0.432 371 1HD2 LEU 46 HMD LEU 46 11.215 -10.860 -1.031 372 2HD2 LEU 46 HMD LEU 46 11.713 -10.582 0.656 373 3HD2 LEU 46 HMD LEU 46 11.632 -9.216 -0.485 374 H ALA 47 HN ALA 47 13.891 -11.180 -5.148 375 HA ALA 47 HA ALA 47 14.483 -13.904 -5.769 376 1HB ALA 47 HMB ALA 47 12.980 -12.083 -6.943 377 2HB ALA 47 HMB ALA 47 14.469 -11.780 -7.873 378 3HB ALA 47 HMB ALA 47 13.737 -13.405 -7.866 379 H ARG 48 HN ARG 48 16.255 -10.846 -6.202 380 HA ARG 48 HA ARG 48 18.249 -11.858 -7.901 381 1HB ARG 48 HBR ARG 48 17.596 -9.382 -6.795 382 2HB ARG 48 HBS ARG 48 19.234 -9.731 -6.171 383 1HG ARG 48 HGS ARG 48 19.872 -10.235 -8.598 384 2HG ARG 48 HGR ARG 48 18.322 -9.465 -9.044 385 1HD ARG 48 HDS ARG 48 19.177 -7.454 -8.789 386 2HD ARG 48 HDR ARG 48 19.735 -7.846 -7.138 387 HE ARG 48 HE ARG 48 21.853 -8.388 -7.997 388 1HH1 ARG 48 HH1 ARG 48 19.596 -7.912 -10.663 389 2HH1 ARG 48 HH1 ARG 48 20.853 -7.625 -11.819 390 1HH2 ARG 48 HH2 ARG 48 23.463 -7.880 -9.510 391 2HH2 ARG 48 HH2 ARG 48 23.042 -7.608 -11.167 392 H HIS 49 HN HIS 49 18.519 -11.091 -4.405 393 HA HIS 49 HA HIS 49 21.052 -12.251 -4.096 394 1HB HIS 49 HBS HIS 49 19.580 -10.722 -2.453 395 2HB HIS 49 HBR HIS 49 19.214 -12.313 -1.726 396 HD1 HIS 49 HD1 HIS 49 21.998 -9.796 -2.110 397 HD2 HIS 49 HD2 HIS 49 21.442 -13.652 -0.636 398 HE1 HIS 49 HE1 HIS 49 24.098 -10.391 -0.880 399 HE2 HIS 49 HE2 HIS 49 23.778 -12.732 -0.006 400 H ALA 50 HN ALA 50 17.851 -13.668 -4.014 401 HA ALA 50 HA ALA 50 18.547 -16.263 -3.010 402 1HB ALA 50 HMB ALA 50 16.325 -15.018 -4.523 403 2HB ALA 50 HMB ALA 50 16.563 -16.767 -4.763 404 3HB ALA 50 HMB ALA 50 16.303 -16.120 -3.122 405 H GLY 51 HN GLY 51 18.482 -14.800 -6.267 406 1HA GLY 51 HAR GLY 51 20.533 -15.279 -7.593 407 2HA GLY 51 HAS GLY 51 20.283 -17.000 -7.197 408 H ARG 52 HN ARG 52 17.435 -15.122 -7.695 409 HA ARG 52 HA ARG 52 16.869 -16.753 -10.082 410 1HB ARG 52 HBR ARG 52 15.174 -15.273 -8.073 411 2HB ARG 52 HBS ARG 52 14.508 -15.808 -9.642 412 1HG ARG 52 HGS ARG 52 15.961 -17.861 -8.061 413 2HG ARG 52 HGR ARG 52 14.414 -17.284 -7.380 414 1HD ARG 52 HDS ARG 52 14.150 -19.252 -8.812 415 2HD ARG 52 HDR ARG 52 13.266 -17.825 -9.420 416 HE ARG 52 HE ARG 52 14.571 -17.882 -11.317 417 1HH1 ARG 52 HH1 ARG 52 16.367 -19.488 -8.743 418 2HH1 ARG 52 HH1 ARG 52 17.537 -20.160 -9.830 419 1HH2 ARG 52 HH2 ARG 52 16.044 -18.883 -12.720 420 2HH2 ARG 52 HH2 ARG 52 17.355 -19.816 -12.080 421 H LYS 53 HN LYS 53 14.940 -15.432 -11.350 422 HA LYS 53 HA LYS 53 16.092 -12.784 -12.107 423 1HB LYS 53 HBS LYS 53 16.404 -14.629 -13.785 424 2HB LYS 53 HBR LYS 53 14.624 -14.716 -13.925 425 1HG LYS 53 HGR LYS 53 14.679 -12.248 -14.547 426 2HG LYS 53 HGS LYS 53 16.454 -12.409 -14.672 427 1HD LYS 53 HDS LYS 53 16.119 -14.237 -16.322 428 2HD LYS 53 HDR LYS 53 14.404 -13.943 -16.252 429 1HE LYS 53 HES LYS 53 15.705 -11.449 -16.737 430 2HE LYS 53 HER LYS 53 16.317 -12.681 -17.877 431 1HZ LYS 53 HZC LYS 53 13.735 -13.158 -17.955 432 2HZ LYS 53 HZA LYS 53 13.681 -11.556 -17.640 433 3HZ LYS 53 HZB LYS 53 14.471 -12.103 -18.961 434 H THR 54 HN THR 54 13.200 -14.769 -11.644 435 HA THR 54 HA THR 54 11.478 -12.492 -12.379 436 HB THR 54 HB THR 54 10.755 -15.439 -11.896 437 HG1 THR 54 HG1 THR 54 12.024 -15.283 -13.323 438 1HG2 THR 54 HMG THR 54 8.919 -13.607 -11.720 439 2HG2 THR 54 HMG THR 54 9.100 -13.503 -13.490 440 3HG2 THR 54 HMG THR 54 8.630 -15.045 -12.731 441 H ILE 55 HN ILE 55 9.781 -11.775 -11.109 442 HA ILE 55 HA ILE 55 10.020 -12.300 -8.199 443 HB ILE 55 HB ILE 55 8.247 -10.252 -9.609 444 1HG1 ILE 55 HG1 ILE 55 10.455 -9.740 -10.317 445 2HG1 ILE 55 HG1 ILE 55 10.046 -8.588 -9.014 446 1HG2 ILE 55 HMG ILE 55 9.182 -10.538 -6.750 447 2HG2 ILE 55 HMG ILE 55 8.400 -9.075 -7.404 448 3HG2 ILE 55 HMG ILE 55 7.515 -10.623 -7.379 449 1HD1 ILE 55 HMD ILE 55 11.286 -10.253 -7.466 450 2HD1 ILE 55 HMD ILE 55 11.972 -10.902 -8.979 451 3HD1 ILE 55 HMD ILE 55 12.241 -9.195 -8.537 452 H LYS 56 HN LYS 56 8.394 -13.185 -7.032 453 HA LYS 56 HA LYS 56 5.966 -14.084 -8.420 454 1HB LYS 56 HBR LYS 56 7.346 -16.146 -6.745 455 2HB LYS 56 HBS LYS 56 6.155 -16.333 -8.063 456 1HG LYS 56 HGR LYS 56 7.760 -16.277 -9.712 457 2HG LYS 56 HGS LYS 56 8.874 -15.266 -8.749 458 1HD LYS 56 HDS LYS 56 9.806 -17.016 -7.671 459 2HD LYS 56 HDR LYS 56 8.341 -17.958 -7.696 460 1HE LYS 56 HES LYS 56 9.268 -19.192 -9.279 461 2HE LYS 56 HER LYS 56 8.994 -17.799 -10.364 462 1HZ LYS 56 HZA LYS 56 11.365 -17.677 -8.749 463 2HZ LYS 56 HZB LYS 56 11.367 -18.848 -9.888 464 3HZ LYS 56 HZC LYS 56 11.146 -17.289 -10.321 465 H ALA 57 HN ALA 57 4.574 -15.302 -6.717 466 HA ALA 57 HA ALA 57 3.840 -13.300 -4.921 467 1HB ALA 57 HMB ALA 57 2.769 -15.685 -5.868 468 2HB ALA 57 HMB ALA 57 2.882 -15.922 -4.106 469 3HB ALA 57 HMB ALA 57 1.995 -14.522 -4.762 470 H GLU 58 HN GLU 58 5.791 -16.209 -4.416 471 HA GLU 58 HA GLU 58 5.997 -16.017 -1.602 472 1HB GLU 58 HBR GLU 58 7.856 -17.534 -1.905 473 2HB GLU 58 HBS GLU 58 6.481 -17.951 -2.772 474 1HG GLU 58 HGS GLU 58 7.477 -16.736 -4.799 475 2HG GLU 58 HGR GLU 58 9.056 -16.902 -3.985 476 H ASP 59 HN ASP 59 8.102 -14.776 -4.215 477 HA ASP 59 HA ASP 59 9.939 -13.534 -2.487 478 1HB ASP 59 HBS ASP 59 9.450 -13.630 -5.359 479 2HB ASP 59 HBR ASP 59 10.150 -12.084 -4.800 480 H ILE 60 HN ILE 60 6.895 -12.418 -3.823 481 HA ILE 60 HA ILE 60 7.012 -9.718 -2.831 482 HB ILE 60 HB ILE 60 4.698 -11.614 -3.451 483 1HG1 ILE 60 HG1 ILE 60 6.028 -11.053 -5.377 484 2HG1 ILE 60 HG1 ILE 60 4.459 -10.204 -5.475 485 1HG2 ILE 60 HMG ILE 60 4.650 -8.751 -2.534 486 2HG2 ILE 60 HMG ILE 60 3.359 -9.424 -3.563 487 3HG2 ILE 60 HMG ILE 60 3.689 -10.140 -1.962 488 1HD1 ILE 60 HMD ILE 60 5.840 -8.243 -4.356 489 2HD1 ILE 60 HMD ILE 60 7.216 -9.108 -5.092 490 3HD1 ILE 60 HMD ILE 60 5.878 -8.525 -6.117 491 H GLU 61 HN GLU 61 5.126 -12.488 -1.565 492 HA GLU 61 HA GLU 61 4.501 -11.238 0.849 493 1HB GLU 61 HBR GLU 61 4.531 -14.031 -0.210 494 2HB GLU 61 HBS GLU 61 4.406 -13.834 1.452 495 1HG GLU 61 HGS GLU 61 2.594 -11.959 0.596 496 2HG GLU 61 HGR GLU 61 2.281 -13.308 -0.530 497 H LEU 62 HN LEU 62 7.461 -12.693 -0.126 498 HA LEU 62 HA LEU 62 8.564 -13.008 2.537 499 1HB LEU 62 HBR LEU 62 9.439 -13.168 -0.287 500 2HB LEU 62 HBS LEU 62 10.696 -12.696 0.891 501 HG LEU 62 HG LEU 62 9.005 -15.190 1.155 502 1HD1 LEU 62 HMD LEU 62 11.309 -14.601 -0.562 503 2HD1 LEU 62 HMD LEU 62 11.581 -15.972 0.545 504 3HD1 LEU 62 HMD LEU 62 10.192 -15.989 -0.571 505 1HD2 LEU 62 HMD LEU 62 10.225 -14.007 3.110 506 2HD2 LEU 62 HMD LEU 62 10.485 -15.753 2.875 507 3HD2 LEU 62 HMD LEU 62 11.717 -14.588 2.329 508 H ALA 63 HN ALA 63 8.876 -10.540 -0.040 509 HA ALA 63 HA ALA 63 10.264 -8.628 1.505 510 1HB ALA 63 HMB ALA 63 9.975 -8.646 -0.977 511 2HB ALA 63 HMB ALA 63 8.303 -8.080 -0.734 512 3HB ALA 63 HMB ALA 63 9.671 -7.070 -0.202 513 H VAL 64 HN VAL 64 6.827 -9.373 1.191 514 HA VAL 64 HA VAL 64 5.916 -7.160 2.824 515 HB VAL 64 HB VAL 64 4.704 -9.711 1.781 516 1HG1 VAL 64 HMG VAL 64 3.722 -9.383 4.009 517 2HG1 VAL 64 HMG VAL 64 3.259 -7.724 3.560 518 3HG1 VAL 64 HMG VAL 64 2.538 -9.111 2.708 519 1HG2 VAL 64 HMG VAL 64 4.784 -6.910 0.983 520 2HG2 VAL 64 HMG VAL 64 4.394 -8.375 0.048 521 3HG2 VAL 64 HMG VAL 64 3.135 -7.581 1.026 522 H ARG 65 HN ARG 65 5.761 -10.666 3.517 523 HA ARG 65 HA ARG 65 5.404 -10.372 6.211 524 1HB ARG 65 HBS ARG 65 5.228 -12.472 4.730 525 2HB ARG 65 HBR ARG 65 6.952 -12.727 5.127 526 1HG ARG 65 HGS ARG 65 5.070 -12.253 7.395 527 2HG ARG 65 HGR ARG 65 4.956 -13.818 6.540 528 1HD ARG 65 HDS ARG 65 7.602 -12.730 7.434 529 2HD ARG 65 HDR ARG 65 6.526 -13.586 8.573 530 HE ARG 65 HE ARG 65 6.901 -15.583 7.406 531 1HH1 ARG 65 HH1 ARG 65 8.705 -12.893 6.017 532 2HH1 ARG 65 HH1 ARG 65 9.587 -13.906 4.923 533 1HH2 ARG 65 HH2 ARG 65 7.983 -16.861 5.878 534 2HH2 ARG 65 HH2 ARG 65 9.182 -16.153 4.848 535 H ARG 66 HN ARG 66 8.343 -9.928 4.498 536 HA ARG 66 HA ARG 66 9.926 -9.865 6.981 537 1HB ARG 66 HBR ARG 66 10.984 -10.702 4.942 538 2HB ARG 66 HBS ARG 66 10.661 -9.148 4.123 539 1HG ARG 66 HGS ARG 66 12.533 -8.257 4.932 540 2HG ARG 66 HGR ARG 66 12.096 -8.716 6.602 541 1HD ARG 66 HDS ARG 66 12.800 -11.115 5.616 542 2HD ARG 66 HDR ARG 66 13.845 -10.050 4.634 543 HE ARG 66 HE ARG 66 14.352 -9.087 7.069 544 1HH1 ARG 66 HH1 ARG 66 13.821 -12.473 6.243 545 2HH1 ARG 66 HH1 ARG 66 15.015 -13.045 7.359 546 1HH2 ARG 66 HH2 ARG 66 15.995 -9.864 8.423 547 2HH2 ARG 66 HH2 ARG 66 16.245 -11.570 8.593 548 H PHE 67 HN PHE 67 8.318 -7.715 4.704 549 HA PHE 67 HA PHE 67 9.030 -5.216 5.909 550 1HB PHE 67 HBS PHE 67 6.877 -6.173 4.102 551 2HB PHE 67 HBR PHE 67 6.411 -4.839 5.197 552 HD1 PHE 67 HD2 PHE 67 9.866 -5.288 3.823 553 HD2 PHE 67 HD1 PHE 67 6.120 -3.283 3.504 554 HE1 PHE 67 HE2 PHE 67 10.858 -3.700 2.206 555 HE2 PHE 67 HE1 PHE 67 7.048 -1.776 1.805 556 HZ PHE 67 HZ PHE 67 9.416 -1.985 1.148 557 H LYS 68 HN LYS 68 7.122 -7.926 6.908 558 HA LYS 68 HA LYS 68 6.154 -8.434 8.919 559 1HB LYS 68 HBS LYS 68 8.365 -7.225 9.627 560 2HB LYS 68 HBR LYS 68 7.260 -5.907 10.115 561 1HG LYS 68 HGR LYS 68 6.931 -6.964 12.055 562 2HG LYS 68 HGS LYS 68 6.154 -8.299 11.157 563 1HD LYS 68 HDS LYS 68 7.963 -9.639 11.242 564 2HD LYS 68 HDR LYS 68 9.090 -8.314 11.169 565 1HE LYS 68 HES LYS 68 9.330 -8.207 13.371 566 2HE LYS 68 HER LYS 68 7.566 -8.291 13.635 567 1HZ LYS 68 HZA LYS 68 9.170 -10.645 12.944 568 2HZ LYS 68 HZB LYS 68 8.908 -10.189 14.490 569 3HZ LYS 68 HZC LYS 68 7.648 -10.603 13.536 570 H LYS 69 HN LYS 69 4.065 -8.090 8.136 571 HA LYS 69 HA LYS 69 1.958 -7.177 8.073 572 1HB LYS 69 HBS LYS 69 3.186 -6.171 10.616 573 2HB LYS 69 HBR LYS 69 1.607 -5.514 10.095 574 1HG LYS 69 HGR LYS 69 2.268 -8.445 10.585 575 2HG LYS 69 HGS LYS 69 1.306 -7.382 11.652 576 1HD LYS 69 HDS LYS 69 0.545 -8.020 8.804 577 2HD LYS 69 HDR LYS 69 0.053 -8.983 10.170 578 1HE LYS 69 HES LYS 69 -0.539 -6.300 10.837 579 2HE LYS 69 HER LYS 69 -1.107 -6.596 9.170 580 1HZ LYS 69 HZC LYS 69 -2.249 -8.543 10.005 581 2HZ LYS 69 HZA LYS 69 -1.767 -8.217 11.532 582 3HZ LYS 69 HZB LYS 69 -2.773 -7.190 10.757 583 1H MET 1 HN MET 1 -13.463 0.860 -7.607 584 2H MET 1 HNC MET 1 -12.812 2.341 -7.378 585 3H MET 1 HNB MET 1 -13.641 2.015 -8.748 586 HA MET 1 HA MET 1 -12.055 0.606 -9.590 587 1HB MET 1 HBS MET 1 -11.569 3.292 -9.090 588 2HB MET 1 HBR MET 1 -10.089 2.488 -8.508 589 1HG MET 1 HGS MET 1 -9.621 2.868 -10.791 590 2HG MET 1 HGR MET 1 -10.152 1.172 -10.740 591 1HE MET 1 HME MET 1 -10.689 4.695 -11.841 592 2HE MET 1 HME MET 1 -10.355 3.675 -13.262 593 3HE MET 1 HME MET 1 -11.908 4.539 -13.131 594 H GLU 2 HN GLU 2 -9.767 -0.237 -9.269 595 HA GLU 2 HA GLU 2 -9.141 -0.840 -6.449 596 1HB GLU 2 HBR GLU 2 -9.279 -2.925 -8.637 597 2HB GLU 2 HBS GLU 2 -8.604 -3.129 -7.115 598 1HG GLU 2 HGS GLU 2 -10.660 -2.747 -5.936 599 2HG GLU 2 HGR GLU 2 -11.562 -2.458 -7.448 600 H LEU 3 HN LEU 3 -6.963 -2.432 -6.863 601 HA LEU 3 HA LEU 3 -5.169 -0.785 -8.532 602 1HB LEU 3 HBR LEU 3 -4.154 -2.944 -6.760 603 2HB LEU 3 HBS LEU 3 -3.554 -1.285 -7.027 604 HG LEU 3 HG LEU 3 -5.797 -2.168 -5.195 605 1HD1 LEU 3 HMD LEU 3 -2.989 -1.135 -4.851 606 2HD1 LEU 3 HMD LEU 3 -4.219 -0.877 -3.589 607 3HD1 LEU 3 HMD LEU 3 -3.784 -2.533 -4.084 608 1HD2 LEU 3 HMD LEU 3 -5.188 0.396 -6.494 609 2HD2 LEU 3 HMD LEU 3 -6.661 -0.149 -5.650 610 3HD2 LEU 3 HMD LEU 3 -5.287 0.497 -4.718 611 HA PRO 4 HA PRO 4 -5.330 -4.094 -11.549 612 1HB PRO 4 HBR PRO 4 -4.158 -2.353 -13.323 613 2HB PRO 4 HBS PRO 4 -5.694 -2.928 -13.369 614 1HG PRO 4 HGS PRO 4 -4.973 -0.399 -12.839 615 2HG PRO 4 HGR PRO 4 -6.507 -1.034 -12.673 616 1HD PRO 4 HDS PRO 4 -4.640 -0.439 -10.666 617 2HD PRO 4 HDR PRO 4 -6.267 -0.698 -10.514 618 H ILE 5 HN ILE 5 -3.740 -5.180 -12.867 619 HA ILE 5 HA ILE 5 -1.468 -5.558 -11.094 620 HB ILE 5 HB ILE 5 -1.026 -7.548 -12.539 621 1HG1 ILE 5 HG1 ILE 5 -3.347 -6.428 -14.146 622 2HG1 ILE 5 HG1 ILE 5 -1.667 -6.717 -14.686 623 1HG2 ILE 5 HMG ILE 5 -2.643 -7.620 -10.623 624 2HG2 ILE 5 HMG ILE 5 -3.957 -7.447 -11.816 625 3HG2 ILE 5 HMG ILE 5 -2.883 -8.869 -11.874 626 1HD1 ILE 5 HMD ILE 5 -2.134 -9.195 -14.216 627 2HD1 ILE 5 HMD ILE 5 -3.854 -8.727 -14.146 628 3HD1 ILE 5 HMD ILE 5 -2.917 -8.457 -15.639 629 H ALA 6 HN ALA 6 -2.090 -4.197 -14.259 630 HA ALA 6 HA ALA 6 0.610 -4.033 -15.152 631 1HB ALA 6 HMB ALA 6 -2.005 -2.863 -15.882 632 2HB ALA 6 HMB ALA 6 -0.577 -1.887 -16.308 633 3HB ALA 6 HMB ALA 6 -0.724 -3.559 -16.904 634 HA PRO 7 HA PRO 7 0.408 0.487 -13.482 635 1HB PRO 7 HBR PRO 7 -1.421 0.781 -11.476 636 2HB PRO 7 HBS PRO 7 -1.470 1.489 -12.957 637 1HG PRO 7 HGS PRO 7 -2.965 -0.661 -12.028 638 2HG PRO 7 HGR PRO 7 -3.245 0.295 -13.367 639 1HD PRO 7 HDS PRO 7 -2.369 -2.220 -13.471 640 2HD PRO 7 HDR PRO 7 -2.221 -1.125 -14.702 641 H ILE 8 HN ILE 8 -0.477 -1.754 -10.979 642 HA ILE 8 HA ILE 8 1.573 -0.976 -9.129 643 HB ILE 8 HB ILE 8 0.069 -3.607 -9.534 644 1HG1 ILE 8 HG1 ILE 8 -0.362 -1.221 -7.702 645 2HG1 ILE 8 HG1 ILE 8 -1.417 -1.795 -9.024 646 1HG2 ILE 8 HMG ILE 8 2.158 -4.032 -8.353 647 2HG2 ILE 8 HMG ILE 8 1.762 -2.753 -7.174 648 3HG2 ILE 8 HMG ILE 8 0.751 -4.220 -7.272 649 1HD1 ILE 8 HMD ILE 8 -1.014 -3.906 -7.103 650 2HD1 ILE 8 HMD ILE 8 -1.571 -2.424 -6.281 651 3HD1 ILE 8 HMD ILE 8 -2.525 -3.114 -7.621 652 H GLY 9 HN GLY 9 1.364 -3.488 -11.665 653 1HA GLY 9 HAR GLY 9 3.894 -4.577 -11.403 654 2HA GLY 9 HAS GLY 9 2.991 -4.510 -12.940 655 H ARG 10 HN ARG 10 2.991 -1.457 -12.610 656 HA ARG 10 HA ARG 10 5.605 -1.005 -13.863 657 1HB ARG 10 HBR ARG 10 3.300 -0.153 -14.696 658 2HB ARG 10 HBS ARG 10 3.489 1.099 -13.435 659 1HG ARG 10 HGS ARG 10 4.273 2.082 -15.430 660 2HG ARG 10 HGR ARG 10 5.738 1.634 -14.510 661 1HD ARG 10 HDS ARG 10 5.410 -0.613 -15.905 662 2HD ARG 10 HDR ARG 10 4.636 0.539 -17.032 663 HE ARG 10 HE ARG 10 7.372 1.050 -15.992 664 1HH1 ARG 10 HH1 ARG 10 5.276 0.189 -18.693 665 2HH1 ARG 10 HH1 ARG 10 6.411 0.726 -19.885 666 1HH2 ARG 10 HH2 ARG 10 8.776 1.859 -17.577 667 2HH2 ARG 10 HH2 ARG 10 8.392 1.670 -19.255 668 H ILE 11 HN ILE 11 3.912 -0.327 -10.884 669 HA ILE 11 HA ILE 11 5.801 1.537 -9.750 670 HB ILE 11 HB ILE 11 3.900 -0.502 -8.496 671 1HG1 ILE 11 HG1 ILE 11 3.704 2.476 -9.051 672 2HG1 ILE 11 HG1 ILE 11 2.703 1.159 -9.724 673 1HG2 ILE 11 HMG ILE 11 6.050 0.783 -7.240 674 2HG2 ILE 11 HMG ILE 11 4.590 1.679 -6.745 675 3HG2 ILE 11 HMG ILE 11 4.690 -0.081 -6.475 676 1HD1 ILE 11 HMD ILE 11 2.711 1.547 -6.761 677 2HD1 ILE 11 HMD ILE 11 1.834 2.729 -7.770 678 3HD1 ILE 11 HMD ILE 11 1.407 0.999 -7.849 679 H ILE 12 HN ILE 12 5.366 -2.007 -9.417 680 HA ILE 12 HA ILE 12 7.773 -2.445 -8.031 681 HB ILE 12 HB ILE 12 6.407 -4.476 -9.854 682 1HG1 ILE 12 HG1 ILE 12 4.608 -3.471 -8.692 683 2HG1 ILE 12 HG1 ILE 12 4.957 -5.009 -7.853 684 1HG2 ILE 12 HMG ILE 12 8.541 -4.656 -7.992 685 2HG2 ILE 12 HMG ILE 12 7.143 -5.533 -7.314 686 3HG2 ILE 12 HMG ILE 12 7.761 -5.954 -8.934 687 1HD1 ILE 12 HMD ILE 12 5.975 -2.316 -6.909 688 2HD1 ILE 12 HMD ILE 12 4.447 -3.053 -6.357 689 3HD1 ILE 12 HMD ILE 12 5.999 -3.870 -6.034 690 H LYS 13 HN LYS 13 7.042 -2.471 -11.502 691 HA LYS 13 HA LYS 13 9.635 -3.128 -12.458 692 1HB LYS 13 HBR LYS 13 7.257 -1.670 -13.549 693 2HB LYS 13 HBS LYS 13 8.829 -1.490 -14.379 694 1HG LYS 13 HGR LYS 13 8.438 -4.272 -13.853 695 2HG LYS 13 HGS LYS 13 6.927 -3.633 -14.561 696 1HD LYS 13 HDS LYS 13 8.973 -2.502 -16.084 697 2HD LYS 13 HDR LYS 13 9.508 -4.131 -15.777 698 1HE LYS 13 HES LYS 13 6.687 -3.776 -16.638 699 2HE LYS 13 HER LYS 13 7.990 -3.531 -17.836 700 1HZ LYS 13 HZA LYS 13 8.820 -5.747 -16.965 701 2HZ LYS 13 HZB LYS 13 7.324 -5.949 -16.341 702 3HZ LYS 13 HZC LYS 13 7.517 -5.760 -17.951 703 H ASP 14 HN ASP 14 8.110 -0.020 -11.588 704 HA ASP 14 HA ASP 14 10.135 1.630 -12.299 705 1HB ASP 14 HBS ASP 14 7.875 2.301 -11.569 706 2HB ASP 14 HBR ASP 14 8.396 2.057 -9.876 707 H ALA 15 HN ALA 15 9.839 -0.142 -9.260 708 HA ALA 15 HA ALA 15 12.241 0.589 -8.028 709 1HB ALA 15 HMB ALA 15 10.259 -1.370 -7.708 710 2HB ALA 15 HMB ALA 15 11.798 -2.258 -7.853 711 3HB ALA 15 HMB ALA 15 11.611 -0.994 -6.611 712 H GLY 16 HN GLY 16 11.640 -1.846 -10.560 713 1HA GLY 16 HAR GLY 16 13.543 -2.003 -12.174 714 2HA GLY 16 HAS GLY 16 14.588 -2.329 -10.764 715 H ALA 17 HN ALA 17 11.425 -3.629 -10.504 716 HA ALA 17 HA ALA 17 12.077 -6.377 -10.854 717 1HB ALA 17 HMB ALA 17 9.820 -4.815 -10.175 718 2HB ALA 17 HMB ALA 17 9.352 -5.831 -11.562 719 3HB ALA 17 HMB ALA 17 10.013 -6.584 -10.088 720 H GLU 18 HN GLU 18 12.446 -7.529 -12.593 721 HA GLU 18 HA GLU 18 12.247 -6.256 -15.265 722 1HB GLU 18 HBR GLU 18 14.284 -7.462 -14.416 723 2HB GLU 18 HBS GLU 18 13.347 -8.845 -14.254 724 1HG GLU 18 HGS GLU 18 13.483 -9.488 -16.344 725 2HG GLU 18 HGR GLU 18 13.054 -7.887 -17.005 726 H ARG 19 HN ARG 19 11.655 -9.575 -14.061 727 HA ARG 19 HA ARG 19 9.239 -9.657 -15.807 728 1HB ARG 19 HBR ARG 19 11.535 -10.954 -16.333 729 2HB ARG 19 HBS ARG 19 10.767 -12.150 -15.249 730 1HG ARG 19 HGS ARG 19 9.346 -10.983 -17.653 731 2HG ARG 19 HGR ARG 19 10.384 -12.434 -17.757 732 1HD ARG 19 HDS ARG 19 8.195 -12.233 -15.717 733 2HD ARG 19 HDR ARG 19 7.845 -12.706 -17.404 734 HE ARG 19 HE ARG 19 9.999 -14.274 -16.415 735 1HH1 ARG 19 HH1 ARG 19 6.489 -13.956 -16.326 736 2HH1 ARG 19 HH1 ARG 19 6.249 -15.570 -15.745 737 1HH2 ARG 19 HH2 ARG 19 9.652 -16.333 -15.534 738 2HH2 ARG 19 HH2 ARG 19 8.038 -16.916 -15.298 739 H VAL 20 HN VAL 20 7.510 -9.736 -14.585 740 HA VAL 20 HA VAL 20 7.678 -11.125 -11.969 741 HB VAL 20 HB VAL 20 5.862 -8.865 -12.838 742 1HG1 VAL 20 HMG VAL 20 6.189 -10.339 -10.239 743 2HG1 VAL 20 HMG VAL 20 5.659 -8.639 -10.262 744 3HG1 VAL 20 HMG VAL 20 4.706 -9.881 -11.109 745 1HG2 VAL 20 HMG VAL 20 8.556 -8.886 -11.553 746 2HG2 VAL 20 HMG VAL 20 7.860 -7.770 -12.751 747 3HG2 VAL 20 HMG VAL 20 7.371 -7.660 -11.044 748 H SER 21 HN SER 21 5.965 -12.350 -11.215 749 HA SER 21 HA SER 21 4.262 -13.597 -13.263 750 1HB SER 21 HBS SER 21 3.677 -15.188 -11.672 751 2HB SER 21 HBR SER 21 5.410 -14.874 -11.370 752 HG SER 21 HG SER 21 4.023 -15.089 -9.490 753 H ASP 22 HN ASP 22 2.029 -13.558 -13.224 754 HA ASP 22 HA ASP 22 0.744 -11.150 -12.366 755 1HB ASP 22 HBS ASP 22 -1.343 -12.272 -12.979 756 2HB ASP 22 HBR ASP 22 -0.100 -12.298 -14.263 757 H ASP 23 HN ASP 23 1.702 -13.988 -10.754 758 HA ASP 23 HA ASP 23 -0.155 -13.842 -8.600 759 1HB ASP 23 HBS ASP 23 1.895 -15.561 -9.388 760 2HB ASP 23 HBR ASP 23 2.369 -14.946 -7.778 761 H ALA 24 HN ALA 24 3.270 -12.806 -8.752 762 HA ALA 24 HA ALA 24 3.320 -11.535 -6.304 763 1HB ALA 24 HMB ALA 24 4.927 -11.476 -8.770 764 2HB ALA 24 HMB ALA 24 5.075 -10.026 -7.744 765 3HB ALA 24 HMB ALA 24 5.421 -11.637 -7.065 766 H ARG 25 HN ARG 25 2.536 -10.113 -9.482 767 HA ARG 25 HA ARG 25 2.150 -7.492 -8.681 768 1HB ARG 25 HBR ARG 25 0.341 -8.778 -10.725 769 2HB ARG 25 HBS ARG 25 1.001 -7.117 -10.676 770 1HG ARG 25 HGS ARG 25 3.210 -8.901 -10.789 771 2HG ARG 25 HGR ARG 25 2.027 -9.443 -12.013 772 1HD ARG 25 HDS ARG 25 2.659 -7.811 -13.342 773 2HD ARG 25 HDR ARG 25 2.147 -6.617 -12.116 774 HE ARG 25 HE ARG 25 4.564 -7.234 -11.178 775 1HH1 ARG 25 HH1 ARG 25 3.666 -6.958 -14.577 776 2HH1 ARG 25 HH1 ARG 25 5.173 -6.234 -15.029 777 1HH2 ARG 25 HH2 ARG 25 6.471 -6.169 -11.785 778 2HH2 ARG 25 HH2 ARG 25 6.761 -5.789 -13.450 779 H ILE 26 HN ILE 26 -0.291 -10.103 -8.835 780 HA ILE 26 HA ILE 26 -2.370 -8.463 -7.776 781 HB ILE 26 HB ILE 26 -2.145 -11.500 -8.059 782 1HG1 ILE 26 HG1 ILE 26 -3.614 -9.564 -9.876 783 2HG1 ILE 26 HG1 ILE 26 -1.890 -9.976 -10.104 784 1HG2 ILE 26 HMG ILE 26 -3.899 -10.739 -6.433 785 2HG2 ILE 26 HMG ILE 26 -4.692 -9.898 -7.791 786 3HG2 ILE 26 HMG ILE 26 -4.500 -11.671 -7.830 787 1HD1 ILE 26 HMD ILE 26 -3.077 -12.452 -9.900 788 2HD1 ILE 26 HMD ILE 26 -4.307 -11.498 -10.771 789 3HD1 ILE 26 HMD ILE 26 -2.648 -11.619 -11.419 790 H THR 27 HN THR 27 0.117 -10.416 -6.335 791 HA THR 27 HA THR 27 -1.129 -10.849 -3.829 792 HB THR 27 HB THR 27 1.840 -10.822 -4.610 793 HG1 THR 27 HG1 THR 27 1.636 -12.699 -4.859 794 1HG2 THR 27 HMG THR 27 0.514 -11.582 -2.018 795 2HG2 THR 27 HMG THR 27 2.012 -12.383 -2.558 796 3HG2 THR 27 HMG THR 27 1.988 -10.620 -2.298 797 H LEU 28 HN LEU 28 1.431 -8.508 -4.736 798 HA LEU 28 HA LEU 28 1.354 -6.900 -2.472 799 1HB LEU 28 HBR LEU 28 2.617 -6.994 -4.908 800 2HB LEU 28 HBS LEU 28 1.649 -5.505 -5.050 801 HG LEU 28 HG LEU 28 2.823 -4.404 -3.383 802 1HD1 LEU 28 HMD LEU 28 2.789 -6.167 -1.670 803 2HD1 LEU 28 HMD LEU 28 4.058 -7.052 -2.554 804 3HD1 LEU 28 HMD LEU 28 4.409 -5.450 -1.856 805 1HD2 LEU 28 HMD LEU 28 4.070 -4.799 -5.475 806 2HD2 LEU 28 HMD LEU 28 5.139 -4.610 -4.062 807 3HD2 LEU 28 HMD LEU 28 4.832 -6.231 -4.737 808 H ALA 29 HN ALA 29 -0.634 -6.687 -5.422 809 HA ALA 29 HA ALA 29 -2.111 -4.465 -4.816 810 1HB ALA 29 HMB ALA 29 -2.135 -6.278 -6.808 811 2HB ALA 29 HMB ALA 29 -3.659 -6.704 -5.988 812 3HB ALA 29 HMB ALA 29 -3.397 -5.042 -6.573 813 H LYS 30 HN LYS 30 -2.689 -7.785 -3.694 814 HA LYS 30 HA LYS 30 -4.985 -7.000 -2.103 815 1HB LYS 30 HBR LYS 30 -4.005 -9.395 -3.118 816 2HB LYS 30 HBS LYS 30 -3.716 -9.523 -1.360 817 1HG LYS 30 HGR LYS 30 -6.115 -8.968 -0.966 818 2HG LYS 30 HGS LYS 30 -6.374 -8.968 -2.734 819 1HD LYS 30 HDS LYS 30 -7.096 -11.053 -1.705 820 2HD LYS 30 HDR LYS 30 -5.865 -11.250 -2.921 821 1HE LYS 30 HES LYS 30 -5.476 -12.704 -1.001 822 2HE LYS 30 HER LYS 30 -4.150 -11.538 -1.266 823 1HZ LYS 30 HZC LYS 30 -6.273 -10.779 0.547 824 2HZ LYS 30 HZA LYS 30 -5.212 -11.906 1.070 825 3HZ LYS 30 HZB LYS 30 -4.677 -10.435 0.605 826 H ILE 31 HN ILE 31 -1.546 -7.212 -1.674 827 HA ILE 31 HA ILE 31 -1.448 -7.285 1.216 828 HB ILE 31 HB ILE 31 0.468 -6.400 -0.987 829 1HG1 ILE 31 HG1 ILE 31 0.722 -8.735 0.930 830 2HG1 ILE 31 HG1 ILE 31 -0.188 -8.838 -0.605 831 1HG2 ILE 31 HMG ILE 31 0.813 -5.121 1.187 832 2HG2 ILE 31 HMG ILE 31 1.295 -6.685 1.897 833 3HG2 ILE 31 HMG ILE 31 2.210 -6.010 0.524 834 1HD1 ILE 31 HMD ILE 31 2.570 -7.771 -0.800 835 2HD1 ILE 31 HMD ILE 31 2.424 -9.490 -0.348 836 3HD1 ILE 31 HMD ILE 31 1.692 -8.900 -1.863 837 H LEU 32 HN LEU 32 -0.531 -4.597 -0.933 838 HA LEU 32 HA LEU 32 -0.699 -2.665 0.985 839 1HB LEU 32 HBR LEU 32 -0.632 -2.793 -1.973 840 2HB LEU 32 HBS LEU 32 -1.120 -1.225 -1.270 841 HG LEU 32 HG LEU 32 1.008 -1.260 0.057 842 1HD1 LEU 32 HMD LEU 32 1.266 -3.814 -1.438 843 2HD1 LEU 32 HMD LEU 32 2.720 -2.787 -1.364 844 3HD1 LEU 32 HMD LEU 32 1.935 -3.330 0.140 845 1HD2 LEU 32 HMD LEU 32 1.160 -1.357 -2.974 846 2HD2 LEU 32 HMD LEU 32 0.714 0.050 -1.976 847 3HD2 LEU 32 HMD LEU 32 2.368 -0.607 -1.900 848 H GLU 33 HN GLU 33 -3.284 -3.714 -1.206 849 HA GLU 33 HA GLU 33 -5.023 -1.526 -0.632 850 1HB GLU 33 HBR GLU 33 -5.013 -2.956 -2.651 851 2HB GLU 33 HBS GLU 33 -5.421 -4.283 -1.710 852 1HG GLU 33 HGS GLU 33 -7.251 -1.922 -1.733 853 2HG GLU 33 HGR GLU 33 -7.411 -3.162 -3.006 854 H GLU 34 HN GLU 34 -4.622 -4.755 0.760 855 HA GLU 34 HA GLU 34 -6.735 -4.688 2.667 856 1HB GLU 34 HBR GLU 34 -4.048 -5.955 2.374 857 2HB GLU 34 HBS GLU 34 -4.683 -5.854 3.924 858 1HG GLU 34 HGS GLU 34 -6.765 -6.950 3.309 859 2HG GLU 34 HGR GLU 34 -6.186 -7.216 1.643 860 H MET 35 HN MET 35 -3.326 -3.590 2.869 861 HA MET 35 HA MET 35 -3.468 -2.370 5.355 862 1HB MET 35 HBS MET 35 -1.813 -1.422 2.995 863 2HB MET 35 HBR MET 35 -1.512 -1.103 4.728 864 1HG MET 35 HGS MET 35 -1.068 -3.442 5.153 865 2HG MET 35 HGR MET 35 -1.646 -3.895 3.532 866 1HE MET 35 HME MET 35 0.639 -4.971 4.439 867 2HE MET 35 HME MET 35 1.939 -4.719 3.248 868 3HE MET 35 HME MET 35 2.051 -3.969 4.859 869 H GLY 36 HN GLY 36 -4.231 -0.987 2.163 870 1HA GLY 36 HAR GLY 36 -4.451 1.667 2.919 871 2HA GLY 36 HAS GLY 36 -5.318 0.947 1.536 872 H ARG 37 HN ARG 37 -7.021 -0.815 2.803 873 HA ARG 37 HA ARG 37 -9.134 0.750 3.888 874 1HB ARG 37 HBR ARG 37 -8.604 -2.050 3.325 875 2HB ARG 37 HBS ARG 37 -9.442 -1.845 4.891 876 1HG ARG 37 HGS ARG 37 -10.969 -0.225 3.408 877 2HG ARG 37 HGR ARG 37 -10.393 -1.310 2.111 878 1HD ARG 37 HDS ARG 37 -12.281 -2.389 2.793 879 2HD ARG 37 HDR ARG 37 -11.038 -3.186 3.797 880 HE ARG 37 HE ARG 37 -12.647 -0.924 4.862 881 1HH1 ARG 37 HH1 ARG 37 -11.832 -4.354 4.914 882 2HH1 ARG 37 HH1 ARG 37 -12.390 -4.573 6.539 883 1HH2 ARG 37 HH2 ARG 37 -13.258 -1.223 7.024 884 2HH2 ARG 37 HH2 ARG 37 -13.203 -2.804 7.731 885 H ASP 38 HN ASP 38 -6.447 -1.038 5.341 886 HA ASP 38 HA ASP 38 -7.579 -0.998 7.938 887 1HB ASP 38 HBS ASP 38 -5.436 -2.287 6.625 888 2HB ASP 38 HBR ASP 38 -4.784 -1.509 8.097 889 H ILE 39 HN ILE 39 -5.009 0.934 6.430 890 HA ILE 39 HA ILE 39 -4.457 2.593 8.712 891 HB ILE 39 HB ILE 39 -4.224 3.338 5.759 892 1HG1 ILE 39 HG1 ILE 39 -2.045 2.007 7.394 893 2HG1 ILE 39 HG1 ILE 39 -3.215 1.076 6.418 894 1HG2 ILE 39 HMG ILE 39 -2.719 4.287 8.206 895 2HG2 ILE 39 HMG ILE 39 -2.320 4.715 6.521 896 3HG2 ILE 39 HMG ILE 39 -3.881 5.218 7.223 897 1HD1 ILE 39 HMD ILE 39 -1.730 3.305 5.095 898 2HD1 ILE 39 HMD ILE 39 -0.847 1.800 5.466 899 3HD1 ILE 39 HMD ILE 39 -2.299 1.750 4.432 900 H ALA 40 HN ALA 40 -6.934 2.497 6.230 901 HA ALA 40 HA ALA 40 -7.723 5.230 6.300 902 1HB ALA 40 HMB ALA 40 -8.650 2.729 5.120 903 2HB ALA 40 HMB ALA 40 -9.989 3.792 5.627 904 3HB ALA 40 HMB ALA 40 -8.740 4.402 4.510 905 H SER 41 HN SER 41 -9.481 2.394 7.613 906 HA SER 41 HA SER 41 -11.162 3.917 9.234 907 1HB SER 41 HBS SER 41 -11.887 1.888 10.231 908 2HB SER 41 HBR SER 41 -11.542 1.555 8.510 909 HG SER 41 HG SER 41 -10.328 0.031 9.078 910 H GLU 42 HN GLU 42 -7.929 2.750 9.819 911 HA GLU 42 HA GLU 42 -7.710 3.404 12.604 912 1HB GLU 42 HBR GLU 42 -6.016 2.881 10.267 913 2HB GLU 42 HBS GLU 42 -5.384 4.084 11.252 914 1HG GLU 42 HGS GLU 42 -5.928 1.256 12.023 915 2HG GLU 42 HGR GLU 42 -4.376 2.123 12.179 916 H ALA 43 HN ALA 43 -7.069 5.277 9.606 917 HA ALA 43 HA ALA 43 -6.470 7.730 11.002 918 1HB ALA 43 HMB ALA 43 -5.715 7.069 8.685 919 2HB ALA 43 HMB ALA 43 -7.370 7.427 8.133 920 3HB ALA 43 HMB ALA 43 -6.376 8.715 8.860 921 H ILE 44 HN ILE 44 -9.350 6.043 10.239 922 HA ILE 44 HA ILE 44 -10.900 8.386 9.737 923 HB ILE 44 HB ILE 44 -10.993 5.747 8.996 924 1HG1 ILE 44 HG1 ILE 44 -13.566 6.934 8.482 925 2HG1 ILE 44 HG1 ILE 44 -12.300 8.195 8.443 926 1HG2 ILE 44 HMG ILE 44 -13.060 6.007 11.137 927 2HG2 ILE 44 HMG ILE 44 -13.466 5.148 9.629 928 3HG2 ILE 44 HMG ILE 44 -12.083 4.608 10.616 929 1HD1 ILE 44 HMD ILE 44 -11.106 6.198 7.023 930 2HD1 ILE 44 HMD ILE 44 -12.820 5.954 6.593 931 3HD1 ILE 44 HMD ILE 44 -12.042 7.535 6.304 932 H LYS 45 HN LYS 45 -11.248 5.877 12.286 933 HA LYS 45 HA LYS 45 -12.727 7.564 14.059 934 1HB LYS 45 HBR LYS 45 -12.145 4.906 13.997 935 2HB LYS 45 HBS LYS 45 -11.020 5.470 15.267 936 1HG LYS 45 HGR LYS 45 -12.847 5.013 16.572 937 2HG LYS 45 HGS LYS 45 -13.224 6.706 16.140 938 1HD LYS 45 HDS LYS 45 -15.197 5.382 15.914 939 2HD LYS 45 HDR LYS 45 -14.669 5.991 14.370 940 1HE LYS 45 HES LYS 45 -15.365 3.762 14.020 941 2HE LYS 45 HER LYS 45 -13.582 3.804 13.912 942 1HZ LYS 45 HZA LYS 45 -14.907 3.152 16.431 943 2HZ LYS 45 HZB LYS 45 -14.685 2.000 15.293 944 3HZ LYS 45 HZC LYS 45 -13.397 2.773 15.936 945 H LEU 46 HN LEU 46 -9.370 7.312 13.261 946 HA LEU 46 HA LEU 46 -8.226 8.657 15.499 947 1HB LEU 46 HBR LEU 46 -7.583 8.098 12.655 948 2HB LEU 46 HBS LEU 46 -6.742 9.486 13.402 949 HG LEU 46 HG LEU 46 -6.727 6.712 14.601 950 1HD1 LEU 46 HMD LEU 46 -5.227 7.839 12.316 951 2HD1 LEU 46 HMD LEU 46 -4.228 7.083 13.583 952 3HD1 LEU 46 HMD LEU 46 -5.512 6.143 12.783 953 1HD2 LEU 46 HMD LEU 46 -6.184 8.968 15.817 954 2HD2 LEU 46 HMD LEU 46 -5.106 7.564 16.017 955 3HD2 LEU 46 HMD LEU 46 -4.663 8.876 14.895 956 H ALA 47 HN ALA 47 -9.657 9.862 12.453 957 HA ALA 47 HA ALA 47 -9.557 12.609 13.034 958 1HB ALA 47 HMB ALA 47 -10.842 10.863 11.131 959 2HB ALA 47 HMB ALA 47 -11.958 12.150 11.655 960 3HB ALA 47 HMB ALA 47 -10.365 12.572 10.977 961 H ARG 48 HN ARG 48 -12.037 10.167 13.823 962 HA ARG 48 HA ARG 48 -13.901 12.036 14.861 963 1HB ARG 48 HBR ARG 48 -14.153 9.531 14.066 964 2HB ARG 48 HBS ARG 48 -13.887 9.188 15.800 965 1HG ARG 48 HGS ARG 48 -15.928 11.251 15.091 966 2HG ARG 48 HGR ARG 48 -16.321 9.542 14.752 967 1HD ARG 48 HDS ARG 48 -15.185 9.542 17.296 968 2HD ARG 48 HDR ARG 48 -16.248 10.977 17.255 969 HE ARG 48 HE ARG 48 -17.082 8.258 17.407 970 1HH1 ARG 48 HH1 ARG 48 -17.991 11.421 16.143 971 2HH1 ARG 48 HH1 ARG 48 -19.646 10.970 15.903 972 1HH2 ARG 48 HH2 ARG 48 -19.223 7.665 16.958 973 2HH2 ARG 48 HH2 ARG 48 -20.345 8.846 16.366 974 H HIS 49 HN HIS 49 -11.766 9.694 16.536 975 HA HIS 49 HA HIS 49 -12.476 10.401 19.127 976 1HB HIS 49 HBS HIS 49 -11.105 8.387 18.547 977 2HB HIS 49 HBR HIS 49 -9.698 9.460 18.297 978 HD1 HIS 49 HD1 HIS 49 -8.911 10.836 20.544 979 HD2 HIS 49 HD2 HIS 49 -11.486 7.612 21.107 980 HE1 HIS 49 HE1 HIS 49 -8.879 10.327 22.998 981 HE2 HIS 49 HE2 HIS 49 -10.452 8.390 23.348 982 H ALA 50 HN ALA 50 -10.011 11.812 17.010 983 HA ALA 50 HA ALA 50 -8.912 13.686 18.802 984 1HB ALA 50 HMB ALA 50 -8.828 13.125 16.020 985 2HB ALA 50 HMB ALA 50 -9.184 14.861 16.214 986 3HB ALA 50 HMB ALA 50 -7.743 14.154 16.989 987 H GLY 51 HN GLY 51 -11.778 13.900 16.683 988 1HA GLY 51 HAR GLY 51 -13.741 15.235 17.307 989 2HA GLY 51 HAS GLY 51 -12.642 16.350 18.162 990 H ARG 52 HN ARG 52 -11.855 14.867 15.066 991 HA ARG 52 HA ARG 52 -11.669 17.606 13.934 992 1HB ARG 52 HBR ARG 52 -10.164 15.059 13.252 993 2HB ARG 52 HBS ARG 52 -9.972 16.634 12.429 994 1HG ARG 52 HGS ARG 52 -9.628 16.675 15.372 995 2HG ARG 52 HGR ARG 52 -8.396 15.757 14.462 996 1HD ARG 52 HDS ARG 52 -7.506 17.592 13.575 997 2HD ARG 52 HDR ARG 52 -9.099 18.344 13.282 998 HE ARG 52 HE ARG 52 -8.216 18.286 16.073 999 1HH1 ARG 52 HH1 ARG 52 -8.040 20.080 13.042 1000 2HH1 ARG 52 HH1 ARG 52 -7.936 21.616 13.833 1001 1HH2 ARG 52 HH2 ARG 52 -8.209 20.323 17.067 1002 2HH2 ARG 52 HH2 ARG 52 -8.030 21.755 16.110 1003 H LYS 53 HN LYS 53 -12.737 18.160 12.178 1004 HA LYS 53 HA LYS 53 -14.671 16.421 11.001 1005 1HB LYS 53 HBR LYS 53 -14.958 18.861 11.153 1006 2HB LYS 53 HBS LYS 53 -13.617 19.086 9.994 1007 1HG LYS 53 HGR LYS 53 -15.780 17.292 9.058 1008 2HG LYS 53 HGS LYS 53 -16.273 18.988 9.323 1009 1HD LYS 53 HDS LYS 53 -14.054 19.487 7.988 1010 2HD LYS 53 HDR LYS 53 -14.284 17.858 7.415 1011 1HE LYS 53 HES LYS 53 -15.423 18.951 5.796 1012 2HE LYS 53 HER LYS 53 -16.741 18.684 6.972 1013 1HZ LYS 53 HZA LYS 53 -15.334 21.059 7.516 1014 2HZ LYS 53 HZB LYS 53 -15.900 21.074 5.984 1015 3HZ LYS 53 HZC LYS 53 -16.928 20.845 7.233 1016 H THR 54 HN THR 54 -11.500 17.643 9.940 1017 HA THR 54 HA THR 54 -11.805 16.121 7.409 1018 HB THR 54 HB THR 54 -9.872 18.434 7.974 1019 HG1 THR 54 HG1 THR 54 -11.409 19.352 8.168 1020 1HG2 THR 54 HMG THR 54 -10.891 17.231 5.387 1021 2HG2 THR 54 HMG THR 54 -9.915 18.717 5.513 1022 3HG2 THR 54 HMG THR 54 -9.230 17.155 6.028 1023 H ILE 55 HN ILE 55 -10.734 14.319 7.227 1024 HA ILE 55 HA ILE 55 -8.313 13.727 8.762 1025 HB ILE 55 HB ILE 55 -9.736 12.246 6.497 1026 1HG1 ILE 55 HG1 ILE 55 -9.628 11.608 9.468 1027 2HG1 ILE 55 HG1 ILE 55 -10.943 12.527 8.683 1028 1HG2 ILE 55 HMG ILE 55 -7.103 11.842 7.588 1029 2HG2 ILE 55 HMG ILE 55 -8.149 10.443 7.949 1030 3HG2 ILE 55 HMG ILE 55 -7.935 10.985 6.263 1031 1HD1 ILE 55 HMD ILE 55 -10.168 9.731 7.828 1032 2HD1 ILE 55 HMD ILE 55 -11.369 10.061 9.106 1033 3HD1 ILE 55 HMD ILE 55 -11.653 10.641 7.443 1034 H LYS 56 HN LYS 56 -6.263 13.774 8.047 1035 HA LYS 56 HA LYS 56 -5.729 14.994 5.387 1036 1HB LYS 56 HBR LYS 56 -4.609 16.043 8.002 1037 2HB LYS 56 HBS LYS 56 -4.355 16.694 6.357 1038 1HG LYS 56 HGR LYS 56 -7.046 16.848 6.473 1039 2HG LYS 56 HGS LYS 56 -6.673 17.000 8.214 1040 1HD LYS 56 HDS LYS 56 -5.038 18.663 6.407 1041 2HD LYS 56 HDR LYS 56 -6.740 19.033 6.422 1042 1HE LYS 56 HES LYS 56 -6.176 18.755 9.106 1043 2HE LYS 56 HER LYS 56 -4.718 19.539 8.433 1044 1HZ LYS 56 HZB LYS 56 -6.252 21.132 7.384 1045 2HZ LYS 56 HZC LYS 56 -7.492 20.480 8.222 1046 3HZ LYS 56 HZA LYS 56 -6.259 21.199 9.016 1047 H ALA 57 HN ALA 57 -3.133 15.450 5.516 1048 HA ALA 57 HA ALA 57 -1.981 12.956 5.156 1049 1HB ALA 57 HMB ALA 57 -0.701 15.646 5.695 1050 2HB ALA 57 HMB ALA 57 0.196 14.194 5.180 1051 3HB ALA 57 HMB ALA 57 -1.055 14.891 4.120 1052 H GLU 58 HN GLU 58 -1.902 15.057 8.017 1053 HA GLU 58 HA GLU 58 -0.147 13.522 9.576 1054 1HB GLU 58 HBR GLU 58 -1.661 15.827 9.779 1055 2HB GLU 58 HBS GLU 58 -2.443 14.803 10.855 1056 1HG GLU 58 HGS GLU 58 -1.014 15.161 12.461 1057 2HG GLU 58 HGR GLU 58 0.315 14.447 11.507 1058 H ASP 59 HN ASP 59 -3.554 13.097 8.845 1059 HA ASP 59 HA ASP 59 -4.032 11.466 11.176 1060 1HB ASP 59 HBS ASP 59 -5.581 13.089 9.565 1061 2HB ASP 59 HBR ASP 59 -6.172 11.437 9.222 1062 H ILE 60 HN ILE 60 -3.520 10.904 7.741 1063 HA ILE 60 HA ILE 60 -3.796 7.994 8.015 1064 HB ILE 60 HB ILE 60 -3.479 9.910 5.841 1065 1HG1 ILE 60 HG1 ILE 60 -4.178 7.637 4.647 1066 2HG1 ILE 60 HG1 ILE 60 -4.479 7.143 6.340 1067 1HG2 ILE 60 HMG ILE 60 -1.085 8.943 5.872 1068 2HG2 ILE 60 HMG ILE 60 -1.855 7.443 5.291 1069 3HG2 ILE 60 HMG ILE 60 -2.016 8.950 4.351 1070 1HD1 ILE 60 HMD ILE 60 -5.596 9.724 6.033 1071 2HD1 ILE 60 HMD ILE 60 -6.094 8.779 4.604 1072 3HD1 ILE 60 HMD ILE 60 -6.453 8.175 6.243 1073 H GLU 61 HN GLU 61 -1.277 10.518 8.019 1074 HA GLU 61 HA GLU 61 0.955 8.878 8.322 1075 1HB GLU 61 HBR GLU 61 0.197 11.664 9.098 1076 2HB GLU 61 HBS GLU 61 1.566 11.002 9.808 1077 1HG GLU 61 HGS GLU 61 2.876 11.095 8.039 1078 2HG GLU 61 HGR GLU 61 1.632 10.522 6.895 1079 H LEU 62 HN LEU 62 -1.335 10.072 10.758 1080 HA LEU 62 HA LEU 62 0.081 8.817 12.930 1081 1HB LEU 62 HBR LEU 62 -1.261 10.944 12.948 1082 2HB LEU 62 HBS LEU 62 -2.733 9.936 12.853 1083 HG LEU 62 HG LEU 62 -2.354 9.028 15.015 1084 1HD1 LEU 62 HMD LEU 62 0.356 10.315 14.728 1085 2HD1 LEU 62 HMD LEU 62 -0.340 9.999 16.337 1086 3HD1 LEU 62 HMD LEU 62 -0.061 8.650 15.207 1087 1HD2 LEU 62 HMD LEU 62 -2.935 11.633 14.492 1088 2HD2 LEU 62 HMD LEU 62 -3.004 10.894 16.112 1089 3HD2 LEU 62 HMD LEU 62 -1.563 11.817 15.615 1090 H ALA 63 HN ALA 63 -2.699 8.004 10.910 1091 HA ALA 63 HA ALA 63 -3.547 5.647 12.251 1092 1HB ALA 63 HMB ALA 63 -3.736 6.756 9.487 1093 2HB ALA 63 HMB ALA 63 -4.086 5.026 9.732 1094 3HB ALA 63 HMB ALA 63 -5.014 6.259 10.624 1095 H VAL 64 HN VAL 64 -1.100 6.198 9.706 1096 HA VAL 64 HA VAL 64 -0.690 3.419 9.449 1097 HB VAL 64 HB VAL 64 -0.423 5.648 7.927 1098 1HG1 VAL 64 HMG VAL 64 2.383 4.806 8.592 1099 2HG1 VAL 64 HMG VAL 64 1.976 5.365 6.953 1100 3HG1 VAL 64 HMG VAL 64 1.690 6.427 8.352 1101 1HG2 VAL 64 HMG VAL 64 -0.492 2.900 7.573 1102 2HG2 VAL 64 HMG VAL 64 -0.619 4.162 6.323 1103 3HG2 VAL 64 HMG VAL 64 0.958 3.417 6.678 1104 H ARG 65 HN ARG 65 1.623 5.951 10.509 1105 HA ARG 65 HA ARG 65 3.572 4.321 11.528 1106 1HB ARG 65 HBR ARG 65 3.778 6.746 11.391 1107 2HB ARG 65 HBS ARG 65 2.610 6.937 12.731 1108 1HG ARG 65 HGS ARG 65 4.149 6.469 14.319 1109 2HG ARG 65 HGR ARG 65 4.966 5.236 13.317 1110 1HD ARG 65 HDS ARG 65 6.442 6.691 12.513 1111 2HD ARG 65 HDR ARG 65 5.214 7.970 12.304 1112 HE ARG 65 HE ARG 65 5.460 8.231 14.855 1113 1HH1 ARG 65 HH1 ARG 65 8.060 7.518 12.584 1114 2HH1 ARG 65 HH1 ARG 65 9.301 8.049 13.669 1115 1HH2 ARG 65 HH2 ARG 65 7.119 8.791 16.295 1116 2HH2 ARG 65 HH2 ARG 65 8.769 8.774 15.767 1117 H ARG 66 HN ARG 66 0.483 5.132 13.017 1118 HA ARG 66 HA ARG 66 1.187 3.867 15.585 1119 1HB ARG 66 HBR ARG 66 -0.297 5.828 15.576 1120 2HB ARG 66 HBS ARG 66 -1.470 4.929 14.571 1121 1HG ARG 66 HGS ARG 66 -2.430 4.531 16.581 1122 2HG ARG 66 HGR ARG 66 -1.234 3.204 16.626 1123 1HD ARG 66 HDS ARG 66 0.160 4.331 18.071 1124 2HD ARG 66 HDR ARG 66 -0.530 5.925 17.656 1125 HE ARG 66 HE ARG 66 -2.616 4.529 18.815 1126 1HH1 ARG 66 HH1 ARG 66 0.709 5.099 19.843 1127 2HH1 ARG 66 HH1 ARG 66 0.275 5.299 21.507 1128 1HH2 ARG 66 HH2 ARG 66 -3.159 4.922 20.980 1129 2HH2 ARG 66 HH2 ARG 66 -1.913 5.197 22.152 1130 H PHE 67 HN PHE 67 -0.036 3.064 12.476 1131 HA PHE 67 HA PHE 67 -1.551 0.724 13.104 1132 1HB PHE 67 HBR PHE 67 -1.172 1.957 10.768 1133 2HB PHE 67 HBS PHE 67 0.158 0.770 10.631 1134 HD1 PHE 67 HD1 PHE 67 -3.270 0.714 12.012 1135 HD2 PHE 67 HD2 PHE 67 -0.525 -1.101 9.304 1136 HE1 PHE 67 HE1 PHE 67 -4.970 -0.961 11.444 1137 HE2 PHE 67 HE2 PHE 67 -2.208 -2.827 8.749 1138 HZ PHE 67 HZ PHE 67 -4.384 -2.826 9.936 1139 H LYS 68 HN LYS 68 1.804 0.963 11.859 1140 HA LYS 68 HA LYS 68 3.721 -0.181 12.400 1141 1HB LYS 68 HBR LYS 68 2.478 -1.458 14.804 1142 2HB LYS 68 HBS LYS 68 4.135 -0.844 14.546 1143 1HG LYS 68 HGR LYS 68 2.716 1.479 14.413 1144 2HG LYS 68 HGS LYS 68 1.712 0.543 15.557 1145 1HD LYS 68 HDS LYS 68 3.113 1.537 17.019 1146 2HD LYS 68 HDR LYS 68 3.931 0.024 16.736 1147 1HE LYS 68 HES LYS 68 5.760 1.070 16.098 1148 2HE LYS 68 HER LYS 68 4.847 1.853 14.777 1149 1HZ LYS 68 HZA LYS 68 4.188 3.541 16.371 1150 2HZ LYS 68 HZB LYS 68 5.101 2.844 17.533 1151 3HZ LYS 68 HZC LYS 68 5.812 3.479 16.206 1152 H LYS 69 HN LYS 69 1.195 -2.305 13.789 1153 HA LYS 69 HA LYS 69 2.147 -4.460 11.954 1154 1HB LYS 69 HBR LYS 69 1.012 -5.928 13.819 1155 2HB LYS 69 HBS LYS 69 2.708 -5.385 13.963 1156 1HG LYS 69 HGR LYS 69 2.273 -4.069 15.760 1157 2HG LYS 69 HGS LYS 69 0.678 -3.561 15.136 1158 1HD LYS 69 HDS LYS 69 -0.393 -5.024 16.373 1159 2HD LYS 69 HDR LYS 69 0.586 -6.332 15.768 1160 1HE LYS 69 HES LYS 69 2.169 -6.152 17.470 1161 2HE LYS 69 HER LYS 69 1.616 -4.511 17.907 1162 1HZ LYS 69 HZA LYS 69 -0.542 -5.689 18.456 1163 2HZ LYS 69 HZB LYS 69 0.327 -7.072 18.461 1164 3HZ LYS 69 HZC LYS 69 0.703 -5.867 19.499 No H/Q in entry = 1164 Start of MODEL 5 Raw file had 1198 H/Q atoms Start of MODEL 5 1 1H MET 1 HNC MET 1 -1.931 3.541 -13.776 2 2H MET 1 HNB MET 1 -1.763 3.950 -15.348 3 3H MET 1 HN MET 1 -0.509 4.132 -14.318 4 HA MET 1 HA MET 1 -1.237 6.241 -14.588 5 1HB MET 1 HBS MET 1 -3.765 6.699 -14.191 6 2HB MET 1 HBR MET 1 -3.181 6.110 -15.765 7 1HG MET 1 HGS MET 1 -5.050 4.742 -15.379 8 2HG MET 1 HGR MET 1 -3.690 3.731 -14.842 9 1HE MET 1 HME MET 1 -4.041 2.420 -13.356 10 2HE MET 1 HME MET 1 -4.045 2.841 -11.625 11 3HE MET 1 HME MET 1 -5.554 2.325 -12.420 12 H GLU 2 HN GLU 2 -0.218 4.672 -12.488 13 HA GLU 2 HA GLU 2 0.285 4.858 -10.260 14 1HB GLU 2 HBR GLU 2 -1.299 7.372 -10.062 15 2HB GLU 2 HBS GLU 2 0.136 6.909 -9.328 16 1HG GLU 2 HGS GLU 2 1.058 6.832 -11.825 17 2HG GLU 2 HGR GLU 2 -0.143 8.132 -12.051 18 H LEU 3 HN LEU 3 -1.020 5.735 -8.073 19 HA LEU 3 HA LEU 3 -3.571 4.263 -8.048 20 1HB LEU 3 HBR LEU 3 -2.420 5.519 -5.608 21 2HB LEU 3 HBS LEU 3 -3.163 3.913 -5.843 22 HG LEU 3 HG LEU 3 -0.318 4.740 -6.470 23 1HD1 LEU 3 HMD LEU 3 -1.702 3.177 -4.329 24 2HD1 LEU 3 HMD LEU 3 -0.105 2.615 -4.887 25 3HD1 LEU 3 HMD LEU 3 -0.292 4.261 -4.232 26 1HD2 LEU 3 HMD LEU 3 -1.916 2.887 -7.817 27 2HD2 LEU 3 HMD LEU 3 -0.136 2.976 -7.826 28 3HD2 LEU 3 HMD LEU 3 -0.970 1.911 -6.665 29 HA PRO 4 HA PRO 4 -5.709 8.185 -8.399 30 1HB PRO 4 HBR PRO 4 -7.973 6.859 -9.049 31 2HB PRO 4 HBS PRO 4 -6.987 7.642 -10.101 32 1HG PRO 4 HGR PRO 4 -7.242 4.889 -9.705 33 2HG PRO 4 HGS PRO 4 -6.603 5.711 -11.008 34 1HD PRO 4 HDR PRO 4 -5.166 4.404 -9.167 35 2HD PRO 4 HDS PRO 4 -4.561 5.526 -10.220 36 H ILE 5 HN ILE 5 -7.435 9.157 -7.282 37 HA ILE 5 HA ILE 5 -7.610 8.105 -4.600 38 HB ILE 5 HB ILE 5 -8.988 10.174 -4.198 39 1HG1 ILE 5 HG1 ILE 5 -8.444 10.772 -7.131 40 2HG1 ILE 5 HG1 ILE 5 -10.004 10.201 -6.475 41 1HG2 ILE 5 HMG ILE 5 -6.470 10.127 -4.086 42 2HG2 ILE 5 HMG ILE 5 -6.468 10.870 -5.708 43 3HG2 ILE 5 HMG ILE 5 -7.214 11.730 -4.334 44 1HD1 ILE 5 HMD ILE 5 -8.996 12.565 -5.084 45 2HD1 ILE 5 HMD ILE 5 -9.237 12.835 -6.830 46 3HD1 ILE 5 HMD ILE 5 -10.590 12.254 -5.823 47 H ALA 6 HN ALA 6 -9.466 7.767 -7.459 48 HA ALA 6 HA ALA 6 -12.054 7.302 -6.363 49 1HB ALA 6 HMB ALA 6 -10.619 6.713 -8.889 50 2HB ALA 6 HMB ALA 6 -11.993 5.649 -8.494 51 3HB ALA 6 HMB ALA 6 -12.236 7.410 -8.612 52 HA PRO 7 HA PRO 7 -10.573 2.709 -6.021 53 1HB PRO 7 HBS PRO 7 -7.918 2.386 -6.269 54 2HB PRO 7 HBR PRO 7 -9.027 1.942 -7.395 55 1HG PRO 7 HGR PRO 7 -7.262 4.116 -7.435 56 2HG PRO 7 HGS PRO 7 -8.068 3.397 -8.707 57 1HD PRO 7 HDS PRO 7 -8.715 5.757 -7.591 58 2HD PRO 7 HDR PRO 7 -9.675 4.886 -8.617 59 H ILE 8 HN ILE 8 -7.792 4.571 -5.046 60 HA ILE 8 HA ILE 8 -7.513 3.406 -2.564 61 HB ILE 8 HB ILE 8 -6.811 6.249 -3.444 62 1HG1 ILE 8 HG1 ILE 8 -5.320 3.605 -3.511 63 2HG1 ILE 8 HG1 ILE 8 -5.822 4.628 -4.888 64 1HG2 ILE 8 HMG ILE 8 -6.823 6.015 -0.973 65 2HG2 ILE 8 HMG ILE 8 -5.615 4.712 -1.130 66 3HG2 ILE 8 HMG ILE 8 -5.215 6.368 -1.659 67 1HD1 ILE 8 HMD ILE 8 -3.981 5.845 -2.887 68 2HD1 ILE 8 HMD ILE 8 -3.318 4.578 -3.954 69 3HD1 ILE 8 HMD ILE 8 -4.056 6.041 -4.659 70 H GLY 9 HN GLY 9 -9.288 6.413 -3.334 71 1HA GLY 9 HAR GLY 9 -10.181 7.050 -0.812 72 2HA GLY 9 HAS GLY 9 -11.085 7.431 -2.301 73 H ARG 10 HN ARG 10 -11.616 4.762 -3.128 74 HA ARG 10 HA ARG 10 -14.044 4.374 -1.620 75 1HB ARG 10 HBS ARG 10 -13.677 4.018 -4.132 76 2HB ARG 10 HBR ARG 10 -12.926 2.461 -3.675 77 1HG ARG 10 HGS ARG 10 -15.667 3.144 -2.650 78 2HG ARG 10 HGR ARG 10 -15.468 2.588 -4.336 79 1HD ARG 10 HDS ARG 10 -14.061 1.045 -2.241 80 2HD ARG 10 HDR ARG 10 -15.845 0.946 -2.257 81 HE ARG 10 HE ARG 10 -13.995 -0.079 -4.287 82 1HH1 ARG 10 HH1 ARG 10 -17.317 0.445 -3.231 83 2HH1 ARG 10 HH1 ARG 10 -17.991 -0.492 -4.523 84 1HH2 ARG 10 HH2 ARG 10 -14.918 -1.188 -6.035 85 2HH2 ARG 10 HH2 ARG 10 -16.634 -1.418 -6.109 86 H ILE 11 HN ILE 11 -10.843 3.013 -1.565 87 HA ILE 11 HA ILE 11 -11.515 0.755 0.094 88 HB ILE 11 HB ILE 11 -8.875 2.215 -0.409 89 1HG1 ILE 11 HG1 ILE 11 -10.053 -0.338 -1.576 90 2HG1 ILE 11 HG1 ILE 11 -9.896 1.239 -2.402 91 1HG2 ILE 11 HMG ILE 11 -9.308 0.584 1.719 92 2HG2 ILE 11 HMG ILE 11 -8.775 -0.589 0.485 93 3HG2 ILE 11 HMG ILE 11 -7.739 0.801 0.902 94 1HD1 ILE 11 HMD ILE 11 -7.396 1.022 -2.083 95 2HD1 ILE 11 HMD ILE 11 -7.693 -0.657 -1.559 96 3HD1 ILE 11 HMD ILE 11 -8.143 -0.144 -3.208 97 H ILE 12 HN ILE 12 -10.470 4.098 0.686 98 HA ILE 12 HA ILE 12 -10.406 3.895 3.569 99 HB ILE 12 HB ILE 12 -10.964 6.402 1.925 100 1HG1 ILE 12 HG1 ILE 12 -9.101 5.471 0.818 101 2HG1 ILE 12 HG1 ILE 12 -8.449 6.724 1.911 102 1HG2 ILE 12 HMG ILE 12 -10.827 6.060 4.634 103 2HG2 ILE 12 HMG ILE 12 -9.167 6.573 4.232 104 3HG2 ILE 12 HMG ILE 12 -10.554 7.590 3.760 105 1HD1 ILE 12 HMD ILE 12 -8.535 3.988 3.032 106 2HD1 ILE 12 HMD ILE 12 -7.425 4.227 1.656 107 3HD1 ILE 12 HMD ILE 12 -7.265 5.236 3.118 108 H LYS 13 HN LYS 13 -12.828 4.631 1.092 109 HA LYS 13 HA LYS 13 -14.938 5.456 2.906 110 1HB LYS 13 HBR LYS 13 -14.692 4.727 0.021 111 2HB LYS 13 HBS LYS 13 -16.292 4.534 0.793 112 1HG LYS 13 HGR LYS 13 -15.607 7.040 1.646 113 2HG LYS 13 HGS LYS 13 -14.810 6.994 0.047 114 1HD LYS 13 HDS LYS 13 -16.852 6.513 -1.065 115 2HD LYS 13 HDR LYS 13 -17.678 6.214 0.439 116 1HE LYS 13 HES LYS 13 -16.660 8.822 0.667 117 2HE LYS 13 HER LYS 13 -17.345 8.670 -0.977 118 1HZ LYS 13 HZB LYS 13 -18.997 7.510 1.007 119 2HZ LYS 13 HZC LYS 13 -18.741 9.097 1.294 120 3HZ LYS 13 HZA LYS 13 -19.366 8.616 -0.136 121 H ASP 14 HN ASP 14 -13.969 2.438 1.260 122 HA ASP 14 HA ASP 14 -15.848 0.767 2.264 123 1HB ASP 14 HBS ASP 14 -14.083 0.244 0.585 124 2HB ASP 14 HBR ASP 14 -12.962 -0.026 1.953 125 H ALA 15 HN ALA 15 -12.916 1.848 3.900 126 HA ALA 15 HA ALA 15 -13.166 0.603 6.345 127 1HB ALA 15 HMB ALA 15 -11.724 2.730 5.296 128 2HB ALA 15 HMB ALA 15 -12.630 3.446 6.654 129 3HB ALA 15 HMB ALA 15 -11.572 2.039 6.931 130 H GLY 16 HN GLY 16 -14.902 3.502 5.216 131 1HA GLY 16 HAR GLY 16 -17.173 3.872 6.193 132 2HA GLY 16 HAS GLY 16 -16.441 3.534 7.785 133 H ALA 17 HN ALA 17 -14.428 5.205 5.546 134 HA ALA 17 HA ALA 17 -14.207 7.588 6.948 135 1HB ALA 17 HMB ALA 17 -13.854 7.088 3.981 136 2HB ALA 17 HMB ALA 17 -13.258 8.511 4.871 137 3HB ALA 17 HMB ALA 17 -12.625 6.890 5.256 138 H GLU 18 HN GLU 18 -15.435 9.283 7.257 139 HA GLU 18 HA GLU 18 -18.073 9.369 5.884 140 1HB GLU 18 HBS GLU 18 -17.325 9.442 8.441 141 2HB GLU 18 HBR GLU 18 -17.255 11.098 8.180 142 1HG GLU 18 HGS GLU 18 -19.435 10.440 9.088 143 2HG GLU 18 HGR GLU 18 -19.723 11.038 7.432 144 H ARG 19 HN ARG 19 -15.329 11.458 6.858 145 HA ARG 19 HA ARG 19 -15.512 12.768 4.243 146 1HB ARG 19 HBR ARG 19 -16.499 14.099 6.535 147 2HB ARG 19 HBS ARG 19 -14.898 14.811 6.180 148 1HG ARG 19 HGS ARG 19 -16.811 14.446 3.910 149 2HG ARG 19 HGR ARG 19 -17.144 15.743 5.093 150 1HD ARG 19 HDS ARG 19 -14.388 15.457 3.998 151 2HD ARG 19 HDR ARG 19 -15.664 16.155 2.961 152 HE ARG 19 HE ARG 19 -14.347 17.436 5.162 153 1HH1 ARG 19 HH1 ARG 19 -17.322 17.327 3.273 154 2HH1 ARG 19 HH1 ARG 19 -17.882 18.855 3.863 155 1HH2 ARG 19 HH2 ARG 19 -15.173 19.369 6.010 156 2HH2 ARG 19 HH2 ARG 19 -16.666 20.012 5.412 157 H VAL 20 HN VAL 20 -13.640 11.664 3.767 158 HA VAL 20 HA VAL 20 -11.207 12.621 5.179 159 HB VAL 20 HB VAL 20 -11.557 10.370 3.187 160 1HG1 VAL 20 HMG VAL 20 -9.256 11.886 3.590 161 2HG1 VAL 20 HMG VAL 20 -9.003 10.419 4.567 162 3HG1 VAL 20 HMG VAL 20 -9.369 10.281 2.830 163 1HG2 VAL 20 HMG VAL 20 -12.216 10.239 5.770 164 2HG2 VAL 20 HMG VAL 20 -11.495 8.875 4.882 165 3HG2 VAL 20 HMG VAL 20 -10.474 9.903 5.914 166 H SER 21 HN SER 21 -10.136 14.230 4.342 167 HA SER 21 HA SER 21 -10.794 15.556 1.945 168 1HB SER 21 HBS SER 21 -8.935 16.899 2.283 169 2HB SER 21 HBR SER 21 -9.427 16.411 3.930 170 HG SER 21 HG SER 21 -7.060 16.285 2.753 171 H ASP 22 HN ASP 22 -9.823 15.651 -0.061 172 HA ASP 22 HA ASP 22 -9.047 13.117 -1.161 173 1HB ASP 22 HBS ASP 22 -8.478 14.584 -3.191 174 2HB ASP 22 HBR ASP 22 -10.176 14.391 -2.671 175 H ASP 23 HN ASP 23 -7.354 15.793 0.257 176 HA ASP 23 HA ASP 23 -4.767 15.072 -0.632 177 1HB ASP 23 HBR ASP 23 -5.916 16.929 1.295 178 2HB ASP 23 HBS ASP 23 -4.333 16.267 1.796 179 H ALA 24 HN ALA 24 -6.799 13.854 1.940 180 HA ALA 24 HA ALA 24 -4.762 12.254 3.165 181 1HB ALA 24 HMB ALA 24 -7.631 12.733 3.446 182 2HB ALA 24 HMB ALA 24 -7.173 11.036 3.741 183 3HB ALA 24 HMB ALA 24 -6.397 12.343 4.670 184 H ARG 25 HN ARG 25 -7.341 11.573 0.790 185 HA ARG 25 HA ARG 25 -6.700 8.877 0.261 186 1HB ARG 25 HBS ARG 25 -7.922 11.076 -1.406 187 2HB ARG 25 HBR ARG 25 -7.587 9.458 -2.087 188 1HG ARG 25 HGS ARG 25 -9.466 8.653 -1.214 189 2HG ARG 25 HGR ARG 25 -8.985 9.190 0.421 190 1HD ARG 25 HDS ARG 25 -9.712 11.539 -0.535 191 2HD ARG 25 HDR ARG 25 -10.697 10.516 -1.619 192 HE ARG 25 HE ARG 25 -10.895 9.911 1.240 193 1HH1 ARG 25 HH1 ARG 25 -12.160 11.908 -1.375 194 2HH1 ARG 25 HH1 ARG 25 -13.754 11.973 -0.702 195 1HH2 ARG 25 HH2 ARG 25 -13.023 9.909 2.022 196 2HH2 ARG 25 HH2 ARG 25 -14.243 10.843 1.221 197 H ILE 26 HN ILE 26 -5.527 11.888 -1.274 198 HA ILE 26 HA ILE 26 -3.839 10.634 -3.128 199 HB ILE 26 HB ILE 26 -3.705 13.427 -1.890 200 1HG1 ILE 26 HG1 ILE 26 -4.722 12.796 -4.653 201 2HG1 ILE 26 HG1 ILE 26 -5.756 12.454 -3.237 202 1HG2 ILE 26 HMG ILE 26 -1.788 12.167 -3.566 203 2HG2 ILE 26 HMG ILE 26 -2.648 13.393 -4.535 204 3HG2 ILE 26 HMG ILE 26 -1.851 13.860 -3.009 205 1HD1 ILE 26 HMD ILE 26 -4.667 15.102 -3.000 206 2HD1 ILE 26 HMD ILE 26 -5.413 14.905 -4.609 207 3HD1 ILE 26 HMD ILE 26 -6.369 14.586 -3.138 208 H THR 27 HN THR 27 -3.297 11.550 0.229 209 HA THR 27 HA THR 27 -0.505 11.107 0.164 210 HB THR 27 HB THR 27 -1.903 12.430 1.931 211 HG1 THR 27 HG1 THR 27 -0.095 12.476 2.089 212 1HG2 THR 27 HMG THR 27 -2.755 9.812 2.685 213 2HG2 THR 27 HMG THR 27 -1.710 10.461 3.975 214 3HG2 THR 27 HMG THR 27 -3.139 11.382 3.438 215 H LEU 28 HN LEU 28 -3.210 8.961 1.014 216 HA LEU 28 HA LEU 28 -1.783 6.630 1.543 217 1HB LEU 28 HBR LEU 28 -4.451 7.348 0.425 218 2HB LEU 28 HBS LEU 28 -3.903 5.664 0.203 219 HG LEU 28 HG LEU 28 -5.239 5.605 2.101 220 1HD1 LEU 28 HMD LEU 28 -2.400 5.990 3.107 221 2HD1 LEU 28 HMD LEU 28 -3.730 5.212 4.000 222 3HD1 LEU 28 HMD LEU 28 -3.115 4.474 2.499 223 1HD2 LEU 28 HMD LEU 28 -3.958 8.260 2.675 224 2HD2 LEU 28 HMD LEU 28 -5.679 7.800 2.641 225 3HD2 LEU 28 HMD LEU 28 -4.652 7.307 4.012 226 H ALA 29 HN ALA 29 -2.626 8.077 -1.595 227 HA ALA 29 HA ALA 29 -1.767 5.999 -3.244 228 1HB ALA 29 HMB ALA 29 -2.938 8.351 -3.673 229 2HB ALA 29 HMB ALA 29 -1.277 8.799 -4.136 230 3HB ALA 29 HMB ALA 29 -2.097 7.447 -4.957 231 H LYS 30 HN LYS 30 0.085 8.814 -2.047 232 HA LYS 30 HA LYS 30 2.528 7.859 -3.217 233 1HB LYS 30 HBS LYS 30 1.820 10.281 -2.709 234 2HB LYS 30 HBR LYS 30 2.340 9.938 -1.034 235 1HG LYS 30 HGR LYS 30 4.324 10.749 -1.784 236 2HG LYS 30 HGS LYS 30 4.527 9.078 -2.386 237 1HD LYS 30 HDS LYS 30 5.031 10.152 -4.285 238 2HD LYS 30 HDR LYS 30 3.309 9.988 -4.490 239 1HE LYS 30 HES LYS 30 3.334 12.167 -4.940 240 2HE LYS 30 HER LYS 30 3.417 12.346 -3.165 241 1HZ LYS 30 HZB LYS 30 5.868 12.274 -3.465 242 2HZ LYS 30 HZC LYS 30 5.639 12.420 -5.076 243 3HZ LYS 30 HZA LYS 30 5.142 13.606 -4.069 244 H ILE 31 HN ILE 31 0.945 7.454 -0.146 245 HA ILE 31 HA ILE 31 3.180 6.367 1.345 246 HB ILE 31 HB ILE 31 0.144 6.129 1.548 247 1HG1 ILE 31 HG1 ILE 31 1.929 7.394 3.612 248 2HG1 ILE 31 HG1 ILE 31 1.621 8.258 2.078 249 1HG2 ILE 31 HMG ILE 31 1.944 4.273 2.612 250 2HG2 ILE 31 HMG ILE 31 1.501 5.338 3.972 251 3HG2 ILE 31 HMG ILE 31 0.229 4.502 3.042 252 1HD1 ILE 31 HMD ILE 31 -0.898 7.720 2.670 253 2HD1 ILE 31 HMD ILE 31 -0.246 7.613 4.327 254 3HD1 ILE 31 HMD ILE 31 -0.053 9.118 3.388 255 H LEU 32 HN LEU 32 0.305 4.640 0.145 256 HA LEU 32 HA LEU 32 1.409 2.182 0.302 257 1HB LEU 32 HBR LEU 32 -0.864 3.403 -1.190 258 2HB LEU 32 HBS LEU 32 -0.436 1.713 -1.576 259 HG LEU 32 HG LEU 32 -0.560 1.861 1.234 260 1HD1 LEU 32 HMD LEU 32 -2.687 3.483 -0.152 261 2HD1 LEU 32 HMD LEU 32 -3.062 2.557 1.323 262 3HD1 LEU 32 HMD LEU 32 -1.807 3.821 1.360 263 1HD2 LEU 32 HMD LEU 32 -1.962 0.617 -1.055 264 2HD2 LEU 32 HMD LEU 32 -1.297 -0.114 0.429 265 3HD2 LEU 32 HMD LEU 32 -2.891 0.684 0.465 266 H GLU 33 HN GLU 33 1.905 4.461 -2.268 267 HA GLU 33 HA GLU 33 3.022 2.639 -4.241 268 1HB GLU 33 HBS GLU 33 2.839 5.499 -3.641 269 2HB GLU 33 HBR GLU 33 4.227 5.112 -4.501 270 1HG GLU 33 HGS GLU 33 2.952 4.266 -6.363 271 2HG GLU 33 HGR GLU 33 1.438 4.181 -5.421 272 H GLU 34 HN GLU 34 4.389 4.892 -1.801 273 HA GLU 34 HA GLU 34 7.081 4.304 -2.327 274 1HB GLU 34 HBS GLU 34 5.884 6.137 -1.071 275 2HB GLU 34 HBR GLU 34 5.839 5.161 0.294 276 1HG GLU 34 HGS GLU 34 8.354 5.016 0.221 277 2HG GLU 34 HGR GLU 34 8.380 6.101 -1.196 278 H MET 35 HN MET 35 4.745 2.768 -0.159 279 HA MET 35 HA MET 35 6.566 0.825 0.958 280 1HB MET 35 HBR MET 35 3.871 1.530 1.316 281 2HB MET 35 HBS MET 35 3.846 -0.128 0.662 282 1HG MET 35 HGS MET 35 4.032 -0.484 2.993 283 2HG MET 35 HGR MET 35 5.701 -0.638 2.398 284 1HE MET 35 HME MET 35 2.994 1.496 3.782 285 2HE MET 35 HME MET 35 3.766 2.703 4.839 286 3HE MET 35 HME MET 35 3.648 2.999 3.086 287 H GLY 36 HN GLY 36 4.334 0.906 -1.824 288 1HA GLY 36 HAR GLY 36 4.627 -1.752 -2.620 289 2HA GLY 36 HAS GLY 36 4.160 -0.413 -3.702 290 H ARG 37 HN ARG 37 6.473 1.137 -3.618 291 HA ARG 37 HA ARG 37 8.362 -0.189 -5.313 292 1HB ARG 37 HBS ARG 37 8.119 2.237 -5.298 293 2HB ARG 37 HBR ARG 37 8.662 2.298 -3.597 294 1HG ARG 37 HGS ARG 37 10.430 1.094 -5.717 295 2HG ARG 37 HGR ARG 37 10.333 2.867 -5.519 296 1HD ARG 37 HDS ARG 37 10.594 1.795 -2.939 297 2HD ARG 37 HDR ARG 37 11.757 0.914 -3.970 298 HE ARG 37 HE ARG 37 12.095 3.579 -4.629 299 1HH1 ARG 37 HH1 ARG 37 12.030 1.892 -1.534 300 2HH1 ARG 37 HH1 ARG 37 13.301 2.856 -0.859 301 1HH2 ARG 37 HH2 ARG 37 13.841 4.731 -3.758 302 2HH2 ARG 37 HH2 ARG 37 14.324 4.465 -2.115 303 H ASP 38 HN ASP 38 8.066 0.305 -1.826 304 HA ASP 38 HA ASP 38 10.655 -0.574 -1.106 305 1HB ASP 38 HBR ASP 38 8.301 0.261 0.233 306 2HB ASP 38 HBS ASP 38 8.844 -1.281 0.953 307 H ILE 39 HN ILE 39 7.584 -2.412 -0.934 308 HA ILE 39 HA ILE 39 8.789 -4.813 -0.221 309 HB ILE 39 HB ILE 39 6.196 -4.544 -1.815 310 1HG1 ILE 39 HG1 ILE 39 6.777 -4.015 1.116 311 2HG1 ILE 39 HG1 ILE 39 6.071 -2.912 -0.097 312 1HG2 ILE 39 HMG ILE 39 7.183 -6.622 0.144 313 2HG2 ILE 39 HMG ILE 39 5.488 -6.484 -0.399 314 3HG2 ILE 39 HMG ILE 39 6.778 -6.831 -1.579 315 1HD1 ILE 39 HMD ILE 39 4.697 -5.442 0.837 316 2HD1 ILE 39 HMD ILE 39 4.465 -3.848 1.604 317 3HD1 ILE 39 HMD ILE 39 4.009 -4.091 -0.104 318 H ALA 40 HN ALA 40 8.411 -3.362 -3.374 319 HA ALA 40 HA ALA 40 8.664 -5.775 -4.930 320 1HB ALA 40 HMB ALA 40 8.148 -3.026 -5.395 321 2HB ALA 40 HMB ALA 40 9.597 -3.455 -6.339 322 3HB ALA 40 HMB ALA 40 8.089 -4.381 -6.552 323 H SER 41 HN SER 41 10.936 -3.017 -4.573 324 HA SER 41 HA SER 41 13.212 -4.383 -5.446 325 1HB SER 41 HBR SER 41 12.649 -1.816 -4.545 326 2HB SER 41 HBS SER 41 13.834 -2.447 -3.365 327 HG SER 41 HG SER 41 15.071 -1.559 -4.850 328 H GLU 42 HN GLU 42 11.467 -4.745 -2.528 329 HA GLU 42 HA GLU 42 13.564 -6.158 -1.101 330 1HB GLU 42 HBS GLU 42 10.639 -5.738 -0.943 331 2HB GLU 42 HBR GLU 42 11.247 -7.008 -0.031 332 1HG GLU 42 HGR GLU 42 10.996 -4.635 1.130 333 2HG GLU 42 HGS GLU 42 12.509 -5.551 1.366 334 H ALA 43 HN ALA 43 10.481 -7.295 -2.566 335 HA ALA 43 HA ALA 43 11.228 -9.994 -2.677 336 1HB ALA 43 HMB ALA 43 8.959 -8.520 -3.328 337 2HB ALA 43 HMB ALA 43 9.447 -9.299 -4.851 338 3HB ALA 43 HMB ALA 43 9.178 -10.285 -3.384 339 H ILE 44 HN ILE 44 12.363 -7.391 -4.559 340 HA ILE 44 HA ILE 44 13.202 -8.980 -6.793 341 HB ILE 44 HB ILE 44 13.808 -6.161 -5.811 342 1HG1 ILE 44 HG1 ILE 44 12.334 -7.226 -8.248 343 2HG1 ILE 44 HG1 ILE 44 11.570 -6.729 -6.711 344 1HG2 ILE 44 HMG ILE 44 15.157 -7.632 -8.029 345 2HG2 ILE 44 HMG ILE 44 14.701 -5.926 -8.282 346 3HG2 ILE 44 HMG ILE 44 15.778 -6.371 -6.932 347 1HD1 ILE 44 HMD ILE 44 12.779 -4.449 -7.190 348 2HD1 ILE 44 HMD ILE 44 12.828 -5.056 -8.865 349 3HD1 ILE 44 HMD ILE 44 11.261 -4.855 -8.034 350 H LYS 45 HN LYS 45 15.130 -7.347 -4.239 351 HA LYS 45 HA LYS 45 17.563 -8.785 -4.824 352 1HB LYS 45 HBS LYS 45 16.749 -6.690 -3.072 353 2HB LYS 45 HBR LYS 45 17.426 -8.005 -2.070 354 1HG LYS 45 HGR LYS 45 19.164 -7.663 -4.304 355 2HG LYS 45 HGS LYS 45 18.801 -6.037 -3.657 356 1HD LYS 45 HDS LYS 45 19.796 -8.367 -2.014 357 2HD LYS 45 HDR LYS 45 20.810 -7.137 -2.715 358 1HE LYS 45 HES LYS 45 19.074 -5.541 -1.437 359 2HE LYS 45 HER LYS 45 19.004 -6.992 -0.397 360 1HZ LYS 45 HZA LYS 45 21.596 -6.736 -0.735 361 2HZ LYS 45 HZB LYS 45 21.177 -5.160 -0.841 362 3HZ LYS 45 HZC LYS 45 20.789 -6.022 0.492 363 H LEU 46 HN LEU 46 14.667 -9.394 -2.979 364 HA LEU 46 HA LEU 46 15.419 -11.894 -1.786 365 1HB LEU 46 HBR LEU 46 12.965 -10.447 -2.653 366 2HB LEU 46 HBS LEU 46 12.841 -12.214 -2.426 367 HG LEU 46 HG LEU 46 13.444 -12.012 -0.104 368 1HD1 LEU 46 HMD LEU 46 14.920 -9.915 -0.760 369 2HD1 LEU 46 HMD LEU 46 13.453 -9.021 -0.286 370 3HD1 LEU 46 HMD LEU 46 14.254 -10.101 0.883 371 1HD2 LEU 46 HMD LEU 46 11.080 -11.257 -1.138 372 2HD2 LEU 46 HMD LEU 46 11.428 -11.244 0.610 373 3HD2 LEU 46 HMD LEU 46 11.542 -9.736 -0.333 374 H ALA 47 HN ALA 47 13.812 -11.118 -4.898 375 HA ALA 47 HA ALA 47 13.706 -13.720 -5.810 376 1HB ALA 47 HMB ALA 47 13.849 -11.126 -7.364 377 2HB ALA 47 HMB ALA 47 13.435 -12.705 -8.079 378 3HB ALA 47 HMB ALA 47 12.395 -11.998 -6.816 379 H ARG 48 HN ARG 48 16.202 -11.267 -6.534 380 HA ARG 48 HA ARG 48 17.744 -12.822 -8.246 381 1HB ARG 48 HBR ARG 48 18.363 -10.489 -6.454 382 2HB ARG 48 HBS ARG 48 19.687 -11.339 -7.300 383 1HG ARG 48 HGS ARG 48 17.499 -10.732 -9.112 384 2HG ARG 48 HGR ARG 48 18.086 -9.260 -8.289 385 1HD ARG 48 HDS ARG 48 19.566 -9.266 -9.970 386 2HD ARG 48 HDR ARG 48 20.430 -10.398 -8.892 387 HE ARG 48 HE ARG 48 19.927 -12.144 -10.347 388 1HH1 ARG 48 HH1 ARG 48 18.452 -9.136 -11.447 389 2HH1 ARG 48 HH1 ARG 48 17.875 -9.832 -12.924 390 1HH2 ARG 48 HH2 ARG 48 19.045 -13.050 -12.230 391 2HH2 ARG 48 HH2 ARG 48 18.212 -12.046 -13.369 392 H HIS 49 HN HIS 49 18.197 -12.342 -4.724 393 HA HIS 49 HA HIS 49 20.487 -14.095 -4.566 394 1HB HIS 49 HBS HIS 49 18.679 -12.860 -2.462 395 2HB HIS 49 HBR HIS 49 19.913 -14.087 -2.051 396 HD1 HIS 49 HD1 HIS 49 20.361 -11.224 -4.569 397 HD2 HIS 49 HD2 HIS 49 21.814 -12.547 -0.897 398 HE1 HIS 49 HE1 HIS 49 22.403 -9.855 -4.083 399 HE2 HIS 49 HE2 HIS 49 23.300 -10.666 -1.872 400 H ALA 50 HN ALA 50 17.033 -14.480 -4.534 401 HA ALA 50 HA ALA 50 16.900 -17.227 -3.666 402 1HB ALA 50 HMB ALA 50 15.172 -15.235 -4.839 403 2HB ALA 50 HMB ALA 50 15.025 -16.783 -5.711 404 3HB ALA 50 HMB ALA 50 14.756 -16.723 -3.950 405 H GLY 51 HN GLY 51 17.452 -15.576 -6.775 406 1HA GLY 51 HAR GLY 51 18.970 -16.868 -8.278 407 2HA GLY 51 HAS GLY 51 17.844 -18.237 -8.091 408 H ARG 52 HN ARG 52 16.417 -15.090 -8.161 409 HA ARG 52 HA ARG 52 15.269 -13.873 -9.716 410 1HB ARG 52 HBS ARG 52 16.451 -13.335 -11.685 411 2HB ARG 52 HBR ARG 52 17.655 -13.590 -10.392 412 1HG ARG 52 HGS ARG 52 17.066 -15.942 -12.113 413 2HG ARG 52 HGR ARG 52 17.892 -14.568 -12.901 414 1HD ARG 52 HDS ARG 52 19.072 -15.013 -10.346 415 2HD ARG 52 HDR ARG 52 18.972 -16.570 -11.216 416 HE ARG 52 HE ARG 52 19.955 -14.582 -12.985 417 1HH1 ARG 52 HH1 ARG 52 20.976 -16.087 -9.964 418 2HH1 ARG 52 HH1 ARG 52 22.648 -16.109 -10.414 419 1HH2 ARG 52 HH2 ARG 52 22.133 -14.747 -13.591 420 2HH2 ARG 52 HH2 ARG 52 23.304 -15.351 -12.465 421 H LYS 53 HN LYS 53 14.911 -14.118 -12.437 422 HA LYS 53 HA LYS 53 13.318 -14.946 -13.872 423 1HB LYS 53 HBS LYS 53 14.478 -17.328 -12.871 424 2HB LYS 53 HBR LYS 53 12.707 -17.516 -12.726 425 1HG LYS 53 HGR LYS 53 13.658 -18.364 -14.885 426 2HG LYS 53 HGS LYS 53 12.406 -17.104 -15.084 427 1HD LYS 53 HDS LYS 53 13.817 -16.116 -16.458 428 2HD LYS 53 HDR LYS 53 14.603 -15.571 -15.002 429 1HE LYS 53 HES LYS 53 16.455 -16.686 -15.452 430 2HE LYS 53 HER LYS 53 15.536 -18.200 -15.683 431 1HZ LYS 53 HZB LYS 53 15.194 -16.410 -17.838 432 2HZ LYS 53 HZC LYS 53 16.774 -16.759 -17.614 433 3HZ LYS 53 HZA LYS 53 15.698 -17.963 -17.850 434 H THR 54 HN THR 54 11.777 -13.554 -13.175 435 HA THR 54 HA THR 54 9.611 -13.110 -12.626 436 HB THR 54 HB THR 54 9.508 -16.090 -11.884 437 HG1 THR 54 HG1 THR 54 9.143 -16.431 -13.673 438 1HG2 THR 54 HMG THR 54 7.567 -14.151 -11.388 439 2HG2 THR 54 HMG THR 54 7.043 -14.941 -12.897 440 3HG2 THR 54 HMG THR 54 7.336 -15.918 -11.435 441 H ILE 55 HN ILE 55 9.206 -11.822 -11.025 442 HA ILE 55 HA ILE 55 9.570 -12.554 -8.200 443 HB ILE 55 HB ILE 55 8.372 -10.180 -9.681 444 1HG1 ILE 55 HG1 ILE 55 10.771 -10.667 -7.901 445 2HG1 ILE 55 HG1 ILE 55 10.728 -10.154 -9.610 446 1HG2 ILE 55 HMG ILE 55 7.427 -11.080 -7.202 447 2HG2 ILE 55 HMG ILE 55 8.546 -9.741 -6.826 448 3HG2 ILE 55 HMG ILE 55 7.174 -9.474 -7.932 449 1HD1 ILE 55 HMD ILE 55 9.351 -8.227 -7.949 450 2HD1 ILE 55 HMD ILE 55 10.995 -8.532 -7.327 451 3HD1 ILE 55 HMD ILE 55 10.763 -8.008 -9.017 452 H LYS 56 HN LYS 56 7.957 -13.283 -6.896 453 HA LYS 56 HA LYS 56 5.428 -14.077 -8.262 454 1HB LYS 56 HBS LYS 56 7.185 -15.767 -6.443 455 2HB LYS 56 HBR LYS 56 5.677 -16.275 -7.254 456 1HG LYS 56 HGR LYS 56 6.781 -15.918 -9.455 457 2HG LYS 56 HGS LYS 56 8.296 -15.508 -8.603 458 1HD LYS 56 HDS LYS 56 8.738 -17.632 -8.008 459 2HD LYS 56 HDR LYS 56 7.057 -18.050 -7.821 460 1HE LYS 56 HES LYS 56 6.962 -17.847 -10.420 461 2HE LYS 56 HER LYS 56 8.731 -18.058 -10.281 462 1HZ LYS 56 HZA LYS 56 8.107 -20.028 -8.845 463 2HZ LYS 56 HZB LYS 56 6.612 -19.909 -9.495 464 3HZ LYS 56 HZC LYS 56 7.902 -20.180 -10.459 465 H ALA 57 HN ALA 57 3.809 -15.030 -6.757 466 HA ALA 57 HA ALA 57 3.076 -12.984 -4.859 467 1HB ALA 57 HMB ALA 57 1.930 -15.721 -5.470 468 2HB ALA 57 HMB ALA 57 1.197 -14.529 -4.367 469 3HB ALA 57 HMB ALA 57 1.377 -14.147 -6.098 470 H GLU 58 HN GLU 58 4.707 -16.082 -4.733 471 HA GLU 58 HA GLU 58 4.833 -16.394 -1.868 472 1HB GLU 58 HBR GLU 58 6.313 -17.296 -4.297 473 2HB GLU 58 HBS GLU 58 7.158 -17.289 -2.847 474 1HG GLU 58 HGS GLU 58 4.520 -18.692 -3.154 475 2HG GLU 58 HGR GLU 58 6.079 -19.553 -3.260 476 H ASP 59 HN ASP 59 6.897 -14.789 -4.317 477 HA ASP 59 HA ASP 59 8.731 -13.894 -2.479 478 1HB ASP 59 HBR ASP 59 9.883 -13.141 -4.196 479 2HB ASP 59 HBS ASP 59 8.612 -13.928 -5.168 480 H ILE 60 HN ILE 60 5.674 -12.463 -3.318 481 HA ILE 60 HA ILE 60 6.375 -9.781 -2.413 482 HB ILE 60 HB ILE 60 3.751 -11.074 -3.300 483 1HG1 ILE 60 HG1 ILE 60 5.365 -10.913 -5.072 484 2HG1 ILE 60 HG1 ILE 60 4.085 -9.696 -5.337 485 1HG2 ILE 60 HMG ILE 60 4.286 -8.168 -2.644 486 2HG2 ILE 60 HMG ILE 60 2.829 -8.795 -3.460 487 3HG2 ILE 60 HMG ILE 60 3.193 -9.284 -1.783 488 1HD1 ILE 60 HMD ILE 60 6.799 -9.095 -4.127 489 2HD1 ILE 60 HMD ILE 60 6.388 -8.894 -5.851 490 3HD1 ILE 60 HMD ILE 60 5.546 -7.923 -4.614 491 H GLU 61 HN GLU 61 4.613 -12.610 -1.202 492 HA GLU 61 HA GLU 61 3.975 -11.282 1.336 493 1HB GLU 61 HBR GLU 61 3.485 -13.903 -0.010 494 2HB GLU 61 HBS GLU 61 3.522 -13.889 1.668 495 1HG GLU 61 HGS GLU 61 1.965 -11.680 1.190 496 2HG GLU 61 HGR GLU 61 1.357 -12.826 -0.036 497 H LEU 62 HN LEU 62 6.558 -13.085 -0.060 498 HA LEU 62 HA LEU 62 7.864 -13.756 2.477 499 1HB LEU 62 HBR LEU 62 8.400 -13.951 -0.435 500 2HB LEU 62 HBS LEU 62 9.825 -13.707 0.613 501 HG LEU 62 HG LEU 62 9.379 -16.075 0.035 502 1HD1 LEU 62 HMD LEU 62 10.146 -14.981 2.442 503 2HD1 LEU 62 HMD LEU 62 8.843 -16.098 2.924 504 3HD1 LEU 62 HMD LEU 62 10.246 -16.706 2.008 505 1HD2 LEU 62 HMD LEU 62 6.754 -15.284 1.135 506 2HD2 LEU 62 HMD LEU 62 7.177 -16.560 -0.035 507 3HD2 LEU 62 HMD LEU 62 7.369 -16.854 1.712 508 H ALA 63 HN ALA 63 8.215 -11.304 -0.108 509 HA ALA 63 HA ALA 63 10.027 -9.654 1.229 510 1HB ALA 63 HMB ALA 63 7.924 -9.107 -0.868 511 2HB ALA 63 HMB ALA 63 9.048 -7.854 -0.281 512 3HB ALA 63 HMB ALA 63 9.682 -9.320 -1.070 513 H VAL 64 HN VAL 64 6.471 -9.689 1.292 514 HA VAL 64 HA VAL 64 6.164 -7.470 3.096 515 HB VAL 64 HB VAL 64 4.441 -9.752 2.161 516 1HG1 VAL 64 HMG VAL 64 3.740 -7.756 4.319 517 2HG1 VAL 64 HMG VAL 64 2.511 -8.565 3.317 518 3HG1 VAL 64 HMG VAL 64 3.598 -9.530 4.346 519 1HG2 VAL 64 HMG VAL 64 5.018 -7.176 1.194 520 2HG2 VAL 64 HMG VAL 64 3.826 -8.351 0.582 521 3HG2 VAL 64 HMG VAL 64 3.340 -7.133 1.786 522 H ARG 65 HN ARG 65 5.522 -10.926 3.741 523 HA ARG 65 HA ARG 65 5.427 -10.598 6.476 524 1HB ARG 65 HBS ARG 65 6.185 -13.122 4.968 525 2HB ARG 65 HBR ARG 65 5.652 -13.037 6.671 526 1HG ARG 65 HGS ARG 65 3.796 -11.776 4.762 527 2HG ARG 65 HGR ARG 65 4.030 -13.529 4.510 528 1HD ARG 65 HDS ARG 65 2.645 -13.917 6.172 529 2HD ARG 65 HDR ARG 65 3.805 -13.137 7.283 530 HE ARG 65 HE ARG 65 2.448 -11.020 6.219 531 1HH1 ARG 65 HH1 ARG 65 1.242 -14.082 7.486 532 2HH1 ARG 65 HH1 ARG 65 -0.142 -13.352 8.231 533 1HH2 ARG 65 HH2 ARG 65 0.698 -10.086 7.315 534 2HH2 ARG 65 HH2 ARG 65 -0.451 -11.092 8.133 535 H ARG 66 HN ARG 66 8.215 -10.719 4.487 536 HA ARG 66 HA ARG 66 10.156 -11.311 6.504 537 1HB ARG 66 HBS ARG 66 10.179 -10.000 3.820 538 2HB ARG 66 HBR ARG 66 11.531 -9.645 4.934 539 1HG ARG 66 HGS ARG 66 11.839 -12.147 5.172 540 2HG ARG 66 HGR ARG 66 10.685 -12.335 3.822 541 1HD ARG 66 HDS ARG 66 12.133 -11.538 2.287 542 2HD ARG 66 HDR ARG 66 12.928 -10.435 3.445 543 HE ARG 66 HE ARG 66 13.386 -13.351 3.680 544 1HH1 ARG 66 HH1 ARG 66 14.599 -10.204 2.651 545 2HH1 ARG 66 HH1 ARG 66 16.258 -10.665 2.830 546 1HH2 ARG 66 HH2 ARG 66 15.564 -13.872 4.031 547 2HH2 ARG 66 HH2 ARG 66 16.806 -12.740 3.610 548 H PHE 67 HN PHE 67 8.961 -8.183 5.209 549 HA PHE 67 HA PHE 67 9.893 -6.558 7.319 550 1HB PHE 67 HBR PHE 67 7.172 -5.945 6.210 551 2HB PHE 67 HBS PHE 67 8.558 -4.865 6.542 552 HD1 PHE 67 HD2 PHE 67 10.731 -6.154 4.932 553 HD2 PHE 67 HD1 PHE 67 6.601 -5.536 4.089 554 HE1 PHE 67 HE2 PHE 67 11.206 -6.329 2.511 555 HE2 PHE 67 HE1 PHE 67 7.046 -5.701 1.682 556 HZ PHE 67 HZ PHE 67 9.344 -6.117 0.889 557 H LYS 68 HN LYS 68 6.685 -8.109 6.933 558 HA LYS 68 HA LYS 68 5.524 -6.801 9.076 559 1HB LYS 68 HBR LYS 68 4.796 -8.922 7.268 560 2HB LYS 68 HBS LYS 68 4.246 -9.324 8.920 561 1HG LYS 68 HGR LYS 68 3.659 -6.696 7.504 562 2HG LYS 68 HGS LYS 68 2.549 -8.096 7.545 563 1HD LYS 68 HDS LYS 68 3.371 -7.526 10.211 564 2HD LYS 68 HDR LYS 68 2.930 -6.020 9.456 565 1HE LYS 68 HES LYS 68 1.037 -8.185 8.899 566 2HE LYS 68 HER LYS 68 1.196 -7.746 10.624 567 1HZ LYS 68 HZA LYS 68 0.835 -5.699 8.570 568 2HZ LYS 68 HZB LYS 68 -0.449 -6.475 9.214 569 3HZ LYS 68 HZC LYS 68 0.542 -5.601 10.174 570 H LYS 69 HN LYS 69 6.396 -6.778 11.040 571 HA LYS 69 HA LYS 69 5.597 -8.772 12.792 572 1HB LYS 69 HBS LYS 69 7.440 -10.142 11.911 573 2HB LYS 69 HBR LYS 69 8.603 -8.862 12.361 574 1HG LYS 69 HGR LYS 69 8.505 -10.780 13.975 575 2HG LYS 69 HGS LYS 69 8.156 -9.188 14.708 576 1HD LYS 69 HDS LYS 69 5.913 -10.925 13.747 577 2HD LYS 69 HDR LYS 69 6.716 -11.295 15.248 578 1HE LYS 69 HES LYS 69 6.317 -8.824 15.867 579 2HE LYS 69 HER LYS 69 5.134 -8.867 14.529 580 1HZ LYS 69 HZC LYS 69 4.321 -10.946 15.745 581 2HZ LYS 69 HZA LYS 69 5.102 -10.337 17.044 582 3HZ LYS 69 HZB LYS 69 3.908 -9.479 16.334 583 1H MET 1 HNB MET 1 -9.716 1.473 -10.552 584 2H MET 1 HNC MET 1 -10.522 0.278 -11.317 585 3H MET 1 HN MET 1 -11.331 1.583 -10.764 586 HA MET 1 HA MET 1 -11.068 1.040 -8.563 587 1HB MET 1 HBS MET 1 -12.676 -0.327 -10.117 588 2HB MET 1 HBR MET 1 -11.553 -1.672 -9.764 589 1HG MET 1 HGS MET 1 -11.867 -1.125 -7.288 590 2HG MET 1 HGR MET 1 -13.170 -0.021 -7.791 591 1HE MET 1 HME MET 1 -12.504 -2.853 -6.260 592 2HE MET 1 HME MET 1 -13.824 -4.015 -6.539 593 3HE MET 1 HME MET 1 -12.328 -4.119 -7.502 594 H GLU 2 HN GLU 2 -10.091 -0.221 -6.917 595 HA GLU 2 HA GLU 2 -8.417 -1.361 -5.839 596 1HB GLU 2 HBR GLU 2 -7.834 -2.894 -8.324 597 2HB GLU 2 HBS GLU 2 -7.856 -3.364 -6.713 598 1HG GLU 2 HGS GLU 2 -9.859 -4.213 -6.849 599 2HG GLU 2 HGR GLU 2 -10.564 -2.607 -7.180 600 H LEU 3 HN LEU 3 -6.026 -2.294 -6.370 601 HA LEU 3 HA LEU 3 -4.553 -0.179 -7.823 602 1HB LEU 3 HBR LEU 3 -3.147 -2.294 -6.287 603 2HB LEU 3 HBS LEU 3 -2.868 -0.533 -6.358 604 HG LEU 3 HG LEU 3 -4.881 -2.023 -4.656 605 1HD1 LEU 3 HMD LEU 3 -2.187 -0.947 -4.285 606 2HD1 LEU 3 HMD LEU 3 -3.361 -0.292 -3.116 607 3HD1 LEU 3 HMD LEU 3 -3.134 -2.053 -3.260 608 1HD2 LEU 3 HMD LEU 3 -4.670 0.813 -5.539 609 2HD2 LEU 3 HMD LEU 3 -6.095 -0.143 -5.059 610 3HD2 LEU 3 HMD LEU 3 -5.013 0.527 -3.813 611 HA PRO 4 HA PRO 4 -4.309 -3.143 -11.213 612 1HB PRO 4 HBR PRO 4 -3.519 -0.823 -12.585 613 2HB PRO 4 HBS PRO 4 -4.722 -1.873 -12.968 614 1HG PRO 4 HGS PRO 4 -5.076 0.573 -11.981 615 2HG PRO 4 HGR PRO 4 -6.248 -0.611 -12.052 616 1HD PRO 4 HDS PRO 4 -4.941 0.359 -9.805 617 2HD PRO 4 HDR PRO 4 -6.226 -0.680 -9.866 618 H ILE 5 HN ILE 5 -2.623 -3.994 -12.411 619 HA ILE 5 HA ILE 5 -0.245 -3.915 -10.745 620 HB ILE 5 HB ILE 5 0.472 -5.846 -12.157 621 1HG1 ILE 5 HG1 ILE 5 -2.203 -5.681 -13.570 622 2HG1 ILE 5 HG1 ILE 5 -0.748 -4.864 -14.207 623 1HG2 ILE 5 HMG ILE 5 -1.074 -6.069 -10.156 624 2HG2 ILE 5 HMG ILE 5 -2.396 -6.279 -11.335 625 3HG2 ILE 5 HMG ILE 5 -1.036 -7.434 -11.304 626 1HD1 ILE 5 HMD ILE 5 -0.089 -7.584 -13.582 627 2HD1 ILE 5 HMD ILE 5 -1.569 -7.554 -14.578 628 3HD1 ILE 5 HMD ILE 5 -0.083 -6.754 -15.161 629 H ALA 6 HN ALA 6 -1.271 -2.370 -13.607 630 HA ALA 6 HA ALA 6 1.273 -1.974 -14.855 631 1HB ALA 6 HMB ALA 6 -1.462 -0.886 -15.071 632 2HB ALA 6 HMB ALA 6 -0.158 0.238 -15.529 633 3HB ALA 6 HMB ALA 6 -0.296 -1.344 -16.337 634 HA PRO 7 HA PRO 7 1.275 2.209 -12.402 635 1HB PRO 7 HBR PRO 7 -0.428 2.265 -10.329 636 2HB PRO 7 HBS PRO 7 -0.637 3.081 -11.738 637 1HG PRO 7 HGS PRO 7 -1.944 0.775 -10.857 638 2HG PRO 7 HGR PRO 7 -2.443 1.881 -12.004 639 1HD PRO 7 HDS PRO 7 -1.476 -0.553 -12.551 640 2HD PRO 7 HDR PRO 7 -1.597 0.684 -13.641 641 H ILE 8 HN ILE 8 0.249 -0.275 -10.187 642 HA ILE 8 HA ILE 8 2.393 -0.060 -8.396 643 HB ILE 8 HB ILE 8 0.755 -2.507 -9.217 644 1HG1 ILE 8 HG1 ILE 8 0.431 -0.399 -7.057 645 2HG1 ILE 8 HG1 ILE 8 -0.659 -0.757 -8.426 646 1HG2 ILE 8 HMG ILE 8 2.834 -3.192 -8.112 647 2HG2 ILE 8 HMG ILE 8 2.436 -2.138 -6.728 648 3HG2 ILE 8 HMG ILE 8 1.395 -3.534 -7.116 649 1HD1 ILE 8 HMD ILE 8 -0.115 -2.876 -6.370 650 2HD1 ILE 8 HMD ILE 8 -1.259 -1.557 -6.007 651 3HD1 ILE 8 HMD ILE 8 -1.546 -2.627 -7.405 652 H GLY 9 HN GLY 9 2.092 -1.979 -11.383 653 1HA GLY 9 HAR GLY 9 4.425 -3.401 -11.243 654 2HA GLY 9 HAS GLY 9 3.688 -2.887 -12.783 655 H ARG 10 HN ARG 10 4.006 -0.043 -12.283 656 HA ARG 10 HA ARG 10 6.771 0.185 -13.252 657 1HB ARG 10 HBR ARG 10 6.238 2.458 -13.777 658 2HB ARG 10 HBS ARG 10 4.928 1.398 -14.374 659 1HG ARG 10 HGS ARG 10 3.374 2.339 -13.027 660 2HG ARG 10 HGR ARG 10 4.518 2.554 -11.673 661 1HD ARG 10 HDS ARG 10 4.269 4.716 -12.219 662 2HD ARG 10 HDR ARG 10 5.555 4.310 -13.390 663 HE ARG 10 HE ARG 10 2.676 4.671 -13.997 664 1HH1 ARG 10 HH1 ARG 10 5.904 3.854 -15.158 665 2HH1 ARG 10 HH1 ARG 10 5.563 4.347 -16.783 666 1HH2 ARG 10 HH2 ARG 10 2.309 5.427 -16.103 667 2HH2 ARG 10 HH2 ARG 10 3.528 5.237 -17.318 668 H ILE 11 HN ILE 11 4.924 0.671 -10.349 669 HA ILE 11 HA ILE 11 7.004 2.116 -8.962 670 HB ILE 11 HB ILE 11 4.631 0.490 -7.924 671 1HG1 ILE 11 HG1 ILE 11 4.776 3.497 -7.962 672 2HG1 ILE 11 HG1 ILE 11 4.410 2.616 -9.472 673 1HG2 ILE 11 HMG ILE 11 6.453 0.792 -6.248 674 2HG2 ILE 11 HMG ILE 11 6.237 2.555 -6.411 675 3HG2 ILE 11 HMG ILE 11 4.898 1.545 -5.802 676 1HD1 ILE 11 HMD ILE 11 2.853 2.169 -6.920 677 2HD1 ILE 11 HMD ILE 11 2.430 3.443 -8.096 678 3HD1 ILE 11 HMD ILE 11 2.410 1.729 -8.592 679 H ILE 12 HN ILE 12 6.096 -1.300 -9.316 680 HA ILE 12 HA ILE 12 8.203 -2.396 -7.695 681 HB ILE 12 HB ILE 12 6.849 -3.594 -10.162 682 1HG1 ILE 12 HG1 ILE 12 5.074 -3.005 -8.740 683 2HG1 ILE 12 HG1 ILE 12 5.364 -4.739 -8.441 684 1HG2 ILE 12 HMG ILE 12 8.942 -4.574 -8.527 685 2HG2 ILE 12 HMG ILE 12 7.483 -5.535 -8.169 686 3HG2 ILE 12 HMG ILE 12 8.070 -5.397 -9.848 687 1HD1 ILE 12 HMD ILE 12 6.621 -2.668 -6.657 688 2HD1 ILE 12 HMD ILE 12 4.916 -3.143 -6.441 689 3HD1 ILE 12 HMD ILE 12 6.206 -4.369 -6.316 690 H LYS 13 HN LYS 13 7.923 -1.339 -11.070 691 HA LYS 13 HA LYS 13 10.512 -2.361 -11.920 692 1HB LYS 13 HBR LYS 13 8.344 -0.668 -13.060 693 2HB LYS 13 HBS LYS 13 10.000 -0.371 -13.660 694 1HG LYS 13 HGR LYS 13 10.210 -2.628 -14.446 695 2HG LYS 13 HGS LYS 13 8.705 -3.120 -13.618 696 1HD LYS 13 HDS LYS 13 8.235 -2.935 -15.930 697 2HD LYS 13 HDR LYS 13 7.407 -1.677 -15.055 698 1HE LYS 13 HES LYS 13 8.288 -0.131 -16.350 699 2HE LYS 13 HER LYS 13 9.921 -0.634 -15.829 700 1HZ LYS 13 HZC LYS 13 8.440 -2.003 -17.958 701 2HZ LYS 13 HZA LYS 13 9.458 -0.760 -18.252 702 3HZ LYS 13 HZB LYS 13 10.025 -2.142 -17.591 703 H ASP 14 HN ASP 14 9.143 0.794 -10.934 704 HA ASP 14 HA ASP 14 11.414 2.269 -10.917 705 1HB ASP 14 HBS ASP 14 9.131 3.092 -10.486 706 2HB ASP 14 HBR ASP 14 9.263 2.462 -8.818 707 H ALA 15 HN ALA 15 10.356 0.022 -8.411 708 HA ALA 15 HA ALA 15 12.451 0.125 -6.629 709 1HB ALA 15 HMB ALA 15 10.406 -1.680 -7.323 710 2HB ALA 15 HMB ALA 15 11.920 -2.619 -7.313 711 3HB ALA 15 HMB ALA 15 11.435 -1.694 -5.868 712 H GLY 16 HN GLY 16 12.401 -1.499 -9.795 713 1HA GLY 16 HAR GLY 16 14.631 -1.643 -10.906 714 2HA GLY 16 HAS GLY 16 15.246 -2.339 -9.384 715 H ALA 17 HN ALA 17 12.018 -3.153 -10.379 716 HA ALA 17 HA ALA 17 12.723 -5.898 -10.678 717 1HB ALA 17 HMB ALA 17 10.611 -4.731 -9.707 718 2HB ALA 17 HMB ALA 17 10.035 -4.762 -11.394 719 3HB ALA 17 HMB ALA 17 10.448 -6.285 -10.566 720 H GLU 18 HN GLU 18 11.204 -7.035 -12.515 721 HA GLU 18 HA GLU 18 11.089 -5.682 -15.032 722 1HB GLU 18 HBR GLU 18 13.535 -6.292 -14.789 723 2HB GLU 18 HBS GLU 18 13.064 -7.900 -14.686 724 1HG GLU 18 HGS GLU 18 13.118 -8.202 -16.844 725 2HG GLU 18 HGR GLU 18 11.806 -7.017 -17.091 726 H ARG 19 HN ARG 19 11.744 -9.089 -14.130 727 HA ARG 19 HA ARG 19 9.315 -9.852 -15.633 728 1HB ARG 19 HBR ARG 19 11.910 -11.171 -14.959 729 2HB ARG 19 HBS ARG 19 10.460 -12.203 -15.132 730 1HG ARG 19 HGS ARG 19 10.123 -11.449 -17.396 731 2HG ARG 19 HGR ARG 19 11.434 -10.247 -17.237 732 1HD ARG 19 HDS ARG 19 12.204 -13.002 -16.591 733 2HD ARG 19 HDR ARG 19 11.694 -12.744 -18.283 734 HE ARG 19 HE ARG 19 14.168 -11.965 -17.153 735 1HH1 ARG 19 HH1 ARG 19 11.711 -10.910 -19.452 736 2HH1 ARG 19 HH1 ARG 19 12.767 -9.779 -20.228 737 1HH2 ARG 19 HH2 ARG 19 15.479 -10.382 -18.109 738 2HH2 ARG 19 HH2 ARG 19 14.900 -9.481 -19.470 739 H VAL 20 HN VAL 20 7.547 -10.450 -14.650 740 HA VAL 20 HA VAL 20 7.620 -11.398 -11.849 741 HB VAL 20 HB VAL 20 5.996 -9.008 -12.723 742 1HG1 VAL 20 HMG VAL 20 5.506 -10.571 -10.615 743 2HG1 VAL 20 HMG VAL 20 6.719 -9.496 -9.879 744 3HG1 VAL 20 HMG VAL 20 5.240 -8.812 -10.596 745 1HG2 VAL 20 HMG VAL 20 8.410 -8.508 -12.891 746 2HG2 VAL 20 HMG VAL 20 7.580 -7.559 -11.634 747 3HG2 VAL 20 HMG VAL 20 8.596 -8.948 -11.176 748 H SER 21 HN SER 21 5.664 -12.296 -11.105 749 HA SER 21 HA SER 21 3.806 -13.188 -13.238 750 1HB SER 21 HBS SER 21 4.638 -14.943 -11.788 751 2HB SER 21 HBR SER 21 4.050 -14.068 -10.345 752 HG SER 21 HG SER 21 2.846 -15.867 -11.938 753 H ASP 22 HN ASP 22 1.617 -12.801 -13.117 754 HA ASP 22 HA ASP 22 0.684 -10.411 -11.825 755 1HB ASP 22 HBS ASP 22 -1.554 -11.173 -12.495 756 2HB ASP 22 HBR ASP 22 -0.372 -11.090 -13.832 757 H ASP 23 HN ASP 23 1.339 -13.574 -10.762 758 HA ASP 23 HA ASP 23 -0.294 -13.676 -8.460 759 1HB ASP 23 HBS ASP 23 2.110 -15.022 -9.424 760 2HB ASP 23 HBR ASP 23 2.026 -14.861 -7.646 761 H ALA 24 HN ALA 24 3.113 -12.583 -8.653 762 HA ALA 24 HA ALA 24 3.184 -11.507 -6.100 763 1HB ALA 24 HMB ALA 24 4.837 -11.454 -8.493 764 2HB ALA 24 HMB ALA 24 4.955 -9.940 -7.560 765 3HB ALA 24 HMB ALA 24 5.297 -11.501 -6.772 766 H ARG 25 HN ARG 25 2.530 -9.810 -9.181 767 HA ARG 25 HA ARG 25 2.339 -7.268 -8.089 768 1HB ARG 25 HBR ARG 25 0.958 -8.384 -10.551 769 2HB ARG 25 HBS ARG 25 1.071 -6.650 -10.134 770 1HG ARG 25 HGS ARG 25 3.479 -8.443 -10.557 771 2HG ARG 25 HGR ARG 25 2.730 -7.462 -11.848 772 1HD ARG 25 HDS ARG 25 3.585 -5.559 -11.078 773 2HD ARG 25 HDR ARG 25 3.295 -5.998 -9.372 774 HE ARG 25 HE ARG 25 5.703 -6.565 -10.968 775 1HH1 ARG 25 HH1 ARG 25 4.023 -6.670 -7.872 776 2HH1 ARG 25 HH1 ARG 25 5.394 -7.303 -7.023 777 1HH2 ARG 25 HH2 ARG 25 7.455 -7.456 -9.841 778 2HH2 ARG 25 HH2 ARG 25 7.353 -7.695 -8.130 779 H ILE 26 HN ILE 26 -0.176 -9.730 -8.485 780 HA ILE 26 HA ILE 26 -2.265 -7.999 -7.475 781 HB ILE 26 HB ILE 26 -2.163 -11.004 -8.032 782 1HG1 ILE 26 HG1 ILE 26 -1.807 -9.475 -9.962 783 2HG1 ILE 26 HG1 ILE 26 -3.262 -10.501 -10.108 784 1HG2 ILE 26 HMG ILE 26 -4.376 -9.268 -7.023 785 2HG2 ILE 26 HMG ILE 26 -4.755 -10.587 -8.162 786 3HG2 ILE 26 HMG ILE 26 -3.951 -10.951 -6.611 787 1HD1 ILE 26 HMD ILE 26 -3.712 -7.831 -8.917 788 2HD1 ILE 26 HMD ILE 26 -3.197 -7.836 -10.625 789 3HD1 ILE 26 HMD ILE 26 -4.659 -8.732 -10.132 790 H THR 27 HN THR 27 0.077 -10.180 -6.122 791 HA THR 27 HA THR 27 -1.137 -10.506 -3.565 792 HB THR 27 HB THR 27 1.805 -10.638 -4.430 793 HG1 THR 27 HG1 THR 27 1.409 -12.312 -4.958 794 1HG2 THR 27 HMG THR 27 1.679 -10.229 -2.010 795 2HG2 THR 27 HMG THR 27 0.582 -11.624 -1.839 796 3HG2 THR 27 HMG THR 27 2.262 -11.871 -2.382 797 H LEU 28 HN LEU 28 1.456 -8.291 -4.668 798 HA LEU 28 HA LEU 28 1.594 -6.687 -2.420 799 1HB LEU 28 HBR LEU 28 2.776 -6.856 -4.845 800 2HB LEU 28 HBS LEU 28 1.800 -5.384 -5.087 801 HG LEU 28 HG LEU 28 3.017 -4.151 -3.553 802 1HD1 LEU 28 HMD LEU 28 3.377 -6.683 -2.189 803 2HD1 LEU 28 HMD LEU 28 4.933 -5.839 -2.388 804 3HD1 LEU 28 HMD LEU 28 3.572 -5.020 -1.582 805 1HD2 LEU 28 HMD LEU 28 4.195 -4.982 -5.670 806 2HD2 LEU 28 HMD LEU 28 5.204 -4.278 -4.380 807 3HD2 LEU 28 HMD LEU 28 5.126 -6.047 -4.585 808 H ALA 29 HN ALA 29 -0.405 -6.107 -5.330 809 HA ALA 29 HA ALA 29 -1.632 -3.828 -4.503 810 1HB ALA 29 HMB ALA 29 -2.030 -5.794 -6.545 811 2HB ALA 29 HMB ALA 29 -3.616 -5.284 -5.911 812 3HB ALA 29 HMB ALA 29 -2.472 -4.067 -6.532 813 H LYS 30 HN LYS 30 -2.512 -7.128 -3.618 814 HA LYS 30 HA LYS 30 -4.907 -6.216 -2.224 815 1HB LYS 30 HBR LYS 30 -3.850 -8.724 -3.256 816 2HB LYS 30 HBS LYS 30 -4.462 -8.902 -1.587 817 1HG LYS 30 HGR LYS 30 -6.456 -7.423 -2.810 818 2HG LYS 30 HGS LYS 30 -5.922 -8.519 -4.116 819 1HD LYS 30 HDS LYS 30 -7.370 -9.943 -3.231 820 2HD LYS 30 HDR LYS 30 -6.047 -10.286 -2.152 821 1HE LYS 30 HES LYS 30 -7.681 -10.004 -0.614 822 2HE LYS 30 HER LYS 30 -7.079 -8.327 -0.739 823 1HZ LYS 30 HZB LYS 30 -9.319 -9.334 -2.343 824 2HZ LYS 30 HZC LYS 30 -9.527 -8.625 -0.886 825 3HZ LYS 30 HZA LYS 30 -8.865 -7.781 -2.119 826 H ILE 31 HN ILE 31 -1.622 -7.117 -1.465 827 HA ILE 31 HA ILE 31 -1.877 -7.246 1.411 828 HB ILE 31 HB ILE 31 0.387 -6.666 -0.544 829 1HG1 ILE 31 HG1 ILE 31 -0.161 -8.972 1.362 830 2HG1 ILE 31 HG1 ILE 31 -0.497 -8.951 -0.393 831 1HG2 ILE 31 HMG ILE 31 0.413 -5.673 2.039 832 2HG2 ILE 31 HMG ILE 31 1.295 -7.218 2.165 833 3HG2 ILE 31 HMG ILE 31 1.826 -5.981 0.995 834 1HD1 ILE 31 HMD ILE 31 2.032 -8.486 -0.652 835 2HD1 ILE 31 HMD ILE 31 2.154 -9.046 1.037 836 3HD1 ILE 31 HMD ILE 31 1.510 -10.135 -0.220 837 H LEU 32 HN LEU 32 -0.372 -4.667 -0.547 838 HA LEU 32 HA LEU 32 -0.493 -2.760 1.372 839 1HB LEU 32 HBR LEU 32 0.046 -2.957 -1.457 840 2HB LEU 32 HBS LEU 32 -0.704 -1.380 -1.077 841 HG LEU 32 HG LEU 32 1.499 -2.154 0.716 842 1HD1 LEU 32 HMD LEU 32 1.882 -1.808 -2.259 843 2HD1 LEU 32 HMD LEU 32 3.142 -1.328 -1.093 844 3HD1 LEU 32 HMD LEU 32 2.595 -3.022 -1.166 845 1HD2 LEU 32 HMD LEU 32 0.599 0.253 -0.884 846 2HD2 LEU 32 HMD LEU 32 0.526 0.002 0.879 847 3HD2 LEU 32 HMD LEU 32 2.100 0.238 0.078 848 H GLU 33 HN GLU 33 -3.059 -3.618 -0.865 849 HA GLU 33 HA GLU 33 -4.881 -1.525 -0.345 850 1HB GLU 33 HBR GLU 33 -4.987 -4.384 -1.181 851 2HB GLU 33 HBS GLU 33 -6.399 -3.726 -0.561 852 1HG GLU 33 HGS GLU 33 -6.462 -1.897 -2.117 853 2HG GLU 33 HGR GLU 33 -4.945 -2.415 -2.902 854 H GLU 34 HN GLU 34 -4.390 -4.656 1.330 855 HA GLU 34 HA GLU 34 -6.369 -4.312 3.329 856 1HB GLU 34 HBR GLU 34 -4.735 -6.269 2.536 857 2HB GLU 34 HBS GLU 34 -3.747 -5.638 3.737 858 1HG GLU 34 HGS GLU 34 -5.116 -7.539 4.541 859 2HG GLU 34 HGR GLU 34 -5.268 -6.083 5.563 860 H MET 35 HN MET 35 -3.063 -3.132 3.010 861 HA MET 35 HA MET 35 -2.872 -1.874 5.591 862 1HB MET 35 HBS MET 35 -1.189 -2.207 3.411 863 2HB MET 35 HBR MET 35 -1.562 -0.465 3.391 864 1HG MET 35 HGS MET 35 0.314 -0.586 4.827 865 2HG MET 35 HGR MET 35 -1.074 -0.523 5.936 866 1HE MET 35 HME MET 35 -0.950 -1.826 7.881 867 2HE MET 35 HME MET 35 -2.133 -2.876 7.062 868 3HE MET 35 HME MET 35 -0.780 -3.597 7.969 869 H GLY 36 HN GLY 36 -3.934 -0.773 2.360 870 1HA GLY 36 HAR GLY 36 -4.268 1.915 2.998 871 2HA GLY 36 HAS GLY 36 -5.120 1.078 1.672 872 H ARG 37 HN ARG 37 -6.684 -0.721 3.056 873 HA ARG 37 HA ARG 37 -8.854 0.779 4.154 874 1HB ARG 37 HBR ARG 37 -8.367 -1.894 3.415 875 2HB ARG 37 HBS ARG 37 -8.749 -1.930 5.161 876 1HG ARG 37 HGS ARG 37 -10.905 -1.872 4.616 877 2HG ARG 37 HGR ARG 37 -10.653 -0.209 4.014 878 1HD ARG 37 HDS ARG 37 -10.738 -0.832 1.878 879 2HD ARG 37 HDR ARG 37 -9.808 -2.329 2.171 880 HE ARG 37 HE ARG 37 -12.530 -2.398 3.196 881 1HH1 ARG 37 HH1 ARG 37 -10.625 -2.739 0.249 882 2HH1 ARG 37 HH1 ARG 37 -11.670 -3.949 -0.415 883 1HH2 ARG 37 HH2 ARG 37 -13.801 -4.074 2.353 884 2HH2 ARG 37 HH2 ARG 37 -13.469 -4.703 0.773 885 H ASP 38 HN ASP 38 -6.056 -0.888 5.553 886 HA ASP 38 HA ASP 38 -6.754 -0.589 8.231 887 1HB ASP 38 HBS ASP 38 -4.786 -1.853 7.019 888 2HB ASP 38 HBR ASP 38 -3.876 -0.395 7.512 889 H ILE 39 HN ILE 39 -4.742 1.602 6.248 890 HA ILE 39 HA ILE 39 -4.209 3.374 8.459 891 HB ILE 39 HB ILE 39 -3.953 4.050 5.495 892 1HG1 ILE 39 HG1 ILE 39 -1.643 2.824 6.958 893 2HG1 ILE 39 HG1 ILE 39 -2.956 1.740 6.419 894 1HG2 ILE 39 HMG ILE 39 -3.576 5.818 7.253 895 2HG2 ILE 39 HMG ILE 39 -2.156 4.872 7.775 896 3HG2 ILE 39 HMG ILE 39 -2.229 5.532 6.120 897 1HD1 ILE 39 HMD ILE 39 -2.590 3.045 4.131 898 2HD1 ILE 39 HMD ILE 39 -0.966 3.291 4.828 899 3HD1 ILE 39 HMD ILE 39 -1.594 1.638 4.591 900 H ALA 40 HN ALA 40 -6.811 2.949 6.244 901 HA ALA 40 HA ALA 40 -7.905 5.642 6.354 902 1HB ALA 40 HMB ALA 40 -8.656 3.018 5.262 903 2HB ALA 40 HMB ALA 40 -10.021 3.968 5.901 904 3HB ALA 40 HMB ALA 40 -8.961 4.662 4.648 905 H SER 41 HN SER 41 -9.349 2.628 7.611 906 HA SER 41 HA SER 41 -10.995 3.961 9.402 907 1HB SER 41 HBS SER 41 -11.081 1.637 10.572 908 2HB SER 41 HBR SER 41 -11.720 1.842 8.916 909 HG SER 41 HG SER 41 -9.830 0.184 9.939 910 H GLU 42 HN GLU 42 -7.657 3.284 9.695 911 HA GLU 42 HA GLU 42 -7.475 3.615 12.598 912 1HB GLU 42 HBR GLU 42 -5.675 3.436 10.232 913 2HB GLU 42 HBS GLU 42 -5.134 4.379 11.510 914 1HG GLU 42 HGS GLU 42 -6.126 2.078 12.762 915 2HG GLU 42 HGR GLU 42 -5.107 1.474 11.427 916 H ALA 43 HN ALA 43 -6.782 5.621 9.699 917 HA ALA 43 HA ALA 43 -6.247 8.041 11.178 918 1HB ALA 43 HMB ALA 43 -7.029 7.575 8.288 919 2HB ALA 43 HMB ALA 43 -6.428 9.105 8.977 920 3HB ALA 43 HMB ALA 43 -5.374 7.668 8.940 921 H ILE 44 HN ILE 44 -9.073 6.297 10.291 922 HA ILE 44 HA ILE 44 -10.822 8.607 10.503 923 HB ILE 44 HB ILE 44 -11.263 5.622 10.040 924 1HG1 ILE 44 HG1 ILE 44 -11.620 8.011 8.193 925 2HG1 ILE 44 HG1 ILE 44 -10.156 6.991 8.276 926 1HG2 ILE 44 HMG ILE 44 -13.230 6.521 11.209 927 2HG2 ILE 44 HMG ILE 44 -13.394 7.771 9.947 928 3HG2 ILE 44 HMG ILE 44 -13.585 6.048 9.527 929 1HD1 ILE 44 HMD ILE 44 -11.653 5.026 7.694 930 2HD1 ILE 44 HMD ILE 44 -12.928 6.221 7.337 931 3HD1 ILE 44 HMD ILE 44 -11.406 6.235 6.407 932 H LYS 45 HN LYS 45 -10.481 5.521 12.297 933 HA LYS 45 HA LYS 45 -11.851 6.282 14.644 934 1HB LYS 45 HBR LYS 45 -9.469 4.449 14.239 935 2HB LYS 45 HBS LYS 45 -10.318 4.661 15.798 936 1HG LYS 45 HGR LYS 45 -11.749 3.799 13.264 937 2HG LYS 45 HGS LYS 45 -10.982 2.634 14.381 938 1HD LYS 45 HDS LYS 45 -12.609 2.769 15.868 939 2HD LYS 45 HDR LYS 45 -12.637 4.510 15.803 940 1HE LYS 45 HES LYS 45 -14.594 4.407 14.795 941 2HE LYS 45 HER LYS 45 -13.748 3.718 13.380 942 1HZ LYS 45 HZC LYS 45 -14.047 1.629 15.041 943 2HZ LYS 45 HZA LYS 45 -15.447 2.439 15.261 944 3HZ LYS 45 HZB LYS 45 -15.006 1.963 13.763 945 H LEU 46 HN LEU 46 -8.905 7.416 13.291 946 HA LEU 46 HA LEU 46 -7.626 8.235 15.780 947 1HB LEU 46 HBR LEU 46 -7.126 8.344 12.859 948 2HB LEU 46 HBS LEU 46 -6.427 9.672 13.828 949 HG LEU 46 HG LEU 46 -5.954 6.817 14.626 950 1HD1 LEU 46 HMD LEU 46 -4.727 8.329 12.332 951 2HD1 LEU 46 HMD LEU 46 -3.752 7.174 13.277 952 3HD1 LEU 46 HMD LEU 46 -5.219 6.619 12.430 953 1HD2 LEU 46 HMD LEU 46 -5.394 8.962 15.949 954 2HD2 LEU 46 HMD LEU 46 -4.111 7.743 15.739 955 3HD2 LEU 46 HMD LEU 46 -4.119 9.211 14.729 956 H ALA 47 HN ALA 47 -9.301 9.887 13.078 957 HA ALA 47 HA ALA 47 -9.392 12.413 14.166 958 1HB ALA 47 HMB ALA 47 -10.633 11.002 12.011 959 2HB ALA 47 HMB ALA 47 -11.856 12.016 12.818 960 3HB ALA 47 HMB ALA 47 -10.353 12.751 12.206 961 H ARG 48 HN ARG 48 -11.689 9.741 14.672 962 HA ARG 48 HA ARG 48 -13.425 11.316 16.319 963 1HB ARG 48 HBR ARG 48 -14.635 9.263 16.710 964 2HB ARG 48 HBS ARG 48 -14.214 9.416 14.980 965 1HG ARG 48 HGS ARG 48 -13.708 7.215 15.279 966 2HG ARG 48 HGR ARG 48 -12.139 7.925 15.754 967 1HD ARG 48 HDS ARG 48 -12.344 6.825 17.654 968 2HD ARG 48 HDR ARG 48 -13.638 7.981 18.077 969 HE ARG 48 HE ARG 48 -14.018 5.247 16.990 970 1HH1 ARG 48 HH1 ARG 48 -15.462 8.266 18.099 971 2HH1 ARG 48 HH1 ARG 48 -16.959 7.515 18.538 972 1HH2 ARG 48 HH2 ARG 48 -15.942 4.280 17.695 973 2HH2 ARG 48 HH2 ARG 48 -17.233 5.260 18.308 974 H HIS 49 HN HIS 49 -11.100 8.687 17.011 975 HA HIS 49 HA HIS 49 -11.439 8.613 19.772 976 1HB HIS 49 HBS HIS 49 -10.088 6.945 18.465 977 2HB HIS 49 HBR HIS 49 -8.778 8.156 18.358 978 HD1 HIS 49 HD1 HIS 49 -7.003 7.315 19.982 979 HD2 HIS 49 HD2 HIS 49 -10.855 7.061 21.544 980 HE1 HIS 49 HE1 HIS 49 -6.764 6.415 22.309 981 HE2 HIS 49 HE2 HIS 49 -9.094 6.237 23.251 982 H ALA 50 HN ALA 50 -9.386 10.728 17.806 983 HA ALA 50 HA ALA 50 -8.146 12.178 19.918 984 1HB ALA 50 HMB ALA 50 -7.648 12.235 17.420 985 2HB ALA 50 HMB ALA 50 -9.034 13.347 17.280 986 3HB ALA 50 HMB ALA 50 -7.636 13.789 18.293 987 H GLY 51 HN GLY 51 -11.232 12.620 18.177 988 1HA GLY 51 HAR GLY 51 -13.207 13.608 19.190 989 2HA GLY 51 HAS GLY 51 -12.142 14.501 20.307 990 H ARG 52 HN ARG 52 -11.371 14.088 16.904 991 HA ARG 52 HA ARG 52 -12.346 16.837 16.322 992 1HB ARG 52 HBR ARG 52 -9.701 16.319 16.424 993 2HB ARG 52 HBS ARG 52 -10.043 15.821 14.741 994 1HG ARG 52 HGS ARG 52 -9.280 18.172 14.932 995 2HG ARG 52 HGR ARG 52 -10.909 18.017 14.215 996 1HD ARG 52 HDS ARG 52 -11.681 19.402 15.736 997 2HD ARG 52 HDR ARG 52 -11.258 18.214 17.001 998 HE ARG 52 HE ARG 52 -9.269 19.410 17.437 999 1HH1 ARG 52 HH1 ARG 52 -10.898 20.768 14.620 1000 2HH1 ARG 52 HH1 ARG 52 -10.110 22.303 14.769 1001 1HH2 ARG 52 HH2 ARG 52 -8.361 21.472 17.678 1002 2HH2 ARG 52 HH2 ARG 52 -8.674 22.703 16.499 1003 H LYS 53 HN LYS 53 -12.405 17.094 13.832 1004 HA LYS 53 HA LYS 53 -13.862 14.709 12.784 1005 1HB LYS 53 HBR LYS 53 -15.241 16.640 11.643 1006 2HB LYS 53 HBS LYS 53 -15.613 16.076 13.297 1007 1HG LYS 53 HGR LYS 53 -13.746 18.409 12.859 1008 2HG LYS 53 HGS LYS 53 -15.518 18.640 12.800 1009 1HD LYS 53 HDS LYS 53 -14.091 17.356 15.124 1010 2HD LYS 53 HDR LYS 53 -14.345 19.074 14.991 1011 1HE LYS 53 HES LYS 53 -16.201 18.615 16.167 1012 2HE LYS 53 HER LYS 53 -16.847 18.290 14.533 1013 1HZ LYS 53 HZB LYS 53 -15.776 15.954 15.201 1014 2HZ LYS 53 HZC LYS 53 -16.289 16.467 16.665 1015 3HZ LYS 53 HZA LYS 53 -17.347 16.338 15.428 1016 H THR 54 HN THR 54 -14.089 14.589 10.501 1017 HA THR 54 HA THR 54 -13.221 14.503 8.390 1018 HB THR 54 HB THR 54 -12.097 17.257 9.150 1019 HG1 THR 54 HG1 THR 54 -13.682 17.951 8.464 1020 1HG2 THR 54 HMG THR 54 -12.045 15.767 6.538 1021 2HG2 THR 54 HMG THR 54 -12.142 17.546 6.575 1022 3HG2 THR 54 HMG THR 54 -10.759 16.714 7.331 1023 H ILE 55 HN ILE 55 -11.692 13.219 7.714 1024 HA ILE 55 HA ILE 55 -9.018 13.225 8.982 1025 HB ILE 55 HB ILE 55 -10.310 11.404 6.895 1026 1HG1 ILE 55 HG1 ILE 55 -9.825 9.741 8.895 1027 2HG1 ILE 55 HG1 ILE 55 -9.825 11.245 9.860 1028 1HG2 ILE 55 HMG ILE 55 -7.773 11.772 6.688 1029 2HG2 ILE 55 HMG ILE 55 -7.662 10.842 8.206 1030 3HG2 ILE 55 HMG ILE 55 -8.392 10.102 6.757 1031 1HD1 ILE 55 HMD ILE 55 -12.111 10.952 8.015 1032 2HD1 ILE 55 HMD ILE 55 -12.030 9.740 9.323 1033 3HD1 ILE 55 HMD ILE 55 -12.058 11.481 9.718 1034 H LYS 56 HN LYS 56 -7.226 13.926 7.988 1035 HA LYS 56 HA LYS 56 -7.317 14.491 5.098 1036 1HB LYS 56 HBR LYS 56 -6.064 16.554 5.301 1037 2HB LYS 56 HBS LYS 56 -7.640 16.696 6.132 1038 1HG LYS 56 HGR LYS 56 -6.569 16.447 8.300 1039 2HG LYS 56 HGS LYS 56 -4.988 16.151 7.521 1040 1HD LYS 56 HDS LYS 56 -4.673 18.316 7.953 1041 2HD LYS 56 HDR LYS 56 -5.465 18.468 6.409 1042 1HE LYS 56 HES LYS 56 -6.500 20.058 7.770 1043 2HE LYS 56 HER LYS 56 -7.646 18.694 7.645 1044 1HZ LYS 56 HZC LYS 56 -5.898 18.374 9.826 1045 2HZ LYS 56 HZA LYS 56 -6.678 19.805 9.933 1046 3HZ LYS 56 HZB LYS 56 -7.531 18.417 9.808 1047 H ALA 57 HN ALA 57 -4.798 15.356 4.716 1048 HA ALA 57 HA ALA 57 -3.544 12.880 4.551 1049 1HB ALA 57 HMB ALA 57 -3.215 15.078 3.213 1050 2HB ALA 57 HMB ALA 57 -1.966 15.437 4.433 1051 3HB ALA 57 HMB ALA 57 -1.838 13.968 3.432 1052 H GLU 58 HN GLU 58 -3.476 15.213 7.111 1053 HA GLU 58 HA GLU 58 -1.159 14.037 8.427 1054 1HB GLU 58 HBR GLU 58 -2.084 16.452 8.414 1055 2HB GLU 58 HBS GLU 58 -3.280 15.876 9.441 1056 1HG GLU 58 HGS GLU 58 -0.892 14.938 10.583 1057 2HG GLU 58 HGR GLU 58 -0.605 16.666 10.248 1058 H ASP 59 HN ASP 59 -4.630 13.627 8.431 1059 HA ASP 59 HA ASP 59 -4.666 12.031 10.824 1060 1HB ASP 59 HBS ASP 59 -6.752 12.328 8.663 1061 2HB ASP 59 HBR ASP 59 -6.972 11.533 10.248 1062 H ILE 60 HN ILE 60 -4.349 11.393 7.383 1063 HA ILE 60 HA ILE 60 -4.304 8.531 7.506 1064 HB ILE 60 HB ILE 60 -2.830 10.464 5.648 1065 1HG1 ILE 60 HG1 ILE 60 -5.152 10.930 5.519 1066 2HG1 ILE 60 HG1 ILE 60 -4.743 9.954 4.081 1067 1HG2 ILE 60 HMG ILE 60 -3.377 7.502 5.382 1068 2HG2 ILE 60 HMG ILE 60 -2.830 8.551 4.047 1069 3HG2 ILE 60 HMG ILE 60 -1.796 8.321 5.482 1070 1HD1 ILE 60 HMD ILE 60 -5.558 8.171 6.155 1071 2HD1 ILE 60 HMD ILE 60 -6.754 9.491 6.047 1072 3HD1 ILE 60 HMD ILE 60 -6.358 8.525 4.601 1073 H GLU 61 HN GLU 61 -1.567 10.836 7.292 1074 HA GLU 61 HA GLU 61 0.405 8.845 7.686 1075 1HB GLU 61 HBR GLU 61 0.297 11.846 7.899 1076 2HB GLU 61 HBS GLU 61 1.665 11.008 8.393 1077 1HG GLU 61 HGS GLU 61 1.946 9.897 6.246 1078 2HG GLU 61 HGR GLU 61 0.567 10.793 5.552 1079 H LEU 62 HN LEU 62 -1.647 10.528 9.896 1080 HA LEU 62 HA LEU 62 -0.239 9.879 12.327 1081 1HB LEU 62 HBR LEU 62 -2.960 10.749 11.471 1082 2HB LEU 62 HBS LEU 62 -2.809 9.962 13.067 1083 HG LEU 62 HG LEU 62 -1.408 12.486 12.146 1084 1HD1 LEU 62 HMD LEU 62 -3.623 11.935 14.144 1085 2HD1 LEU 62 HMD LEU 62 -2.747 13.481 14.010 1086 3HD1 LEU 62 HMD LEU 62 -3.730 12.894 12.645 1087 1HD2 LEU 62 HMD LEU 62 -1.055 10.614 14.435 1088 2HD2 LEU 62 HMD LEU 62 0.129 11.657 13.607 1089 3HD2 LEU 62 HMD LEU 62 -0.998 12.358 14.797 1090 H ALA 63 HN ALA 63 -2.989 8.335 10.621 1091 HA ALA 63 HA ALA 63 -3.029 5.930 12.006 1092 1HB ALA 63 HMB ALA 63 -3.581 6.439 9.071 1093 2HB ALA 63 HMB ALA 63 -4.078 4.994 9.989 1094 3HB ALA 63 HMB ALA 63 -4.737 6.593 10.420 1095 H VAL 64 HN VAL 64 -0.979 6.908 9.277 1096 HA VAL 64 HA VAL 64 -0.272 4.235 8.681 1097 HB VAL 64 HB VAL 64 -0.376 6.584 7.369 1098 1HG1 VAL 64 HMG VAL 64 2.597 6.048 7.631 1099 2HG1 VAL 64 HMG VAL 64 1.845 7.056 6.372 1100 3HG1 VAL 64 HMG VAL 64 1.703 7.518 8.085 1101 1HG2 VAL 64 HMG VAL 64 0.120 3.877 6.766 1102 2HG2 VAL 64 HMG VAL 64 -0.463 5.176 5.698 1103 3HG2 VAL 64 HMG VAL 64 1.280 4.834 5.813 1104 H ARG 65 HN ARG 65 1.880 6.890 9.769 1105 HA ARG 65 HA ARG 65 3.926 5.358 10.818 1106 1HB ARG 65 HBR ARG 65 4.014 7.786 10.671 1107 2HB ARG 65 HBS ARG 65 2.792 7.928 11.967 1108 1HG ARG 65 HGS ARG 65 5.341 6.435 12.507 1109 2HG ARG 65 HGR ARG 65 5.362 8.222 12.481 1110 1HD ARG 65 HDS ARG 65 3.111 7.566 13.964 1111 2HD ARG 65 HDR ARG 65 4.347 6.384 14.477 1112 HE ARG 65 HE ARG 65 5.747 8.673 14.604 1113 1HH1 ARG 65 HH1 ARG 65 2.391 8.162 15.555 1114 2HH1 ARG 65 HH1 ARG 65 2.512 9.196 16.940 1115 1HH2 ARG 65 HH2 ARG 65 5.902 9.918 16.492 1116 2HH2 ARG 65 HH2 ARG 65 4.499 10.188 17.472 1117 H ARG 66 HN ARG 66 0.685 5.662 11.982 1118 HA ARG 66 HA ARG 66 1.063 4.920 14.715 1119 1HB ARG 66 HBR ARG 66 -1.145 5.366 12.960 1120 2HB ARG 66 HBS ARG 66 -1.343 3.754 13.703 1121 1HG ARG 66 HGS ARG 66 -2.485 5.396 15.048 1122 2HG ARG 66 HGR ARG 66 -1.056 4.799 15.940 1123 1HD ARG 66 HDS ARG 66 0.148 6.823 14.906 1124 2HD ARG 66 HDR ARG 66 -1.498 7.438 14.583 1125 HE ARG 66 HE ARG 66 -1.872 7.602 16.923 1126 1HH1 ARG 66 HH1 ARG 66 1.286 6.176 16.268 1127 2HH1 ARG 66 HH1 ARG 66 1.935 6.636 17.806 1128 1HH2 ARG 66 HH2 ARG 66 -0.950 8.296 18.874 1129 2HH2 ARG 66 HH2 ARG 66 0.670 7.834 19.283 1130 H PHE 67 HN PHE 67 0.239 2.963 11.821 1131 HA PHE 67 HA PHE 67 0.954 0.431 12.911 1132 1HB PHE 67 HBR PHE 67 1.554 1.090 10.024 1133 2HB PHE 67 HBS PHE 67 0.967 -0.432 10.757 1134 HD1 PHE 67 HD1 PHE 67 -1.307 -0.409 11.797 1135 HD2 PHE 67 HD2 PHE 67 -0.073 2.460 8.898 1136 HE1 PHE 67 HE1 PHE 67 -3.656 0.189 11.419 1137 HE2 PHE 67 HE2 PHE 67 -2.426 3.163 8.587 1138 HZ PHE 67 HZ PHE 67 -4.225 1.918 9.755 1139 H LYS 68 HN LYS 68 2.870 2.556 10.746 1140 HA LYS 68 HA LYS 68 5.361 2.299 12.112 1141 1HB LYS 68 HBR LYS 68 4.811 -0.124 11.321 1142 2HB LYS 68 HBS LYS 68 5.236 0.500 9.702 1143 1HG LYS 68 HGR LYS 68 7.468 1.044 10.418 1144 2HG LYS 68 HGS LYS 68 7.065 0.691 12.123 1145 1HD LYS 68 HDS LYS 68 7.228 -1.290 9.851 1146 2HD LYS 68 HDR LYS 68 8.383 -1.066 11.135 1147 1HE LYS 68 HES LYS 68 5.716 -1.521 12.188 1148 2HE LYS 68 HER LYS 68 6.283 -2.838 11.121 1149 1HZ LYS 68 HZA LYS 68 8.063 -1.783 13.167 1150 2HZ LYS 68 HZB LYS 68 6.891 -2.835 13.601 1151 3HZ LYS 68 HZC LYS 68 8.017 -3.274 12.502 1152 H LYS 69 HN LYS 69 7.199 2.814 10.610 1153 HA LYS 69 HA LYS 69 6.604 4.990 8.810 1154 1HB LYS 69 HBR LYS 69 8.755 4.770 10.014 1155 2HB LYS 69 HBS LYS 69 9.123 3.313 9.047 1156 1HG LYS 69 HGR LYS 69 10.291 4.951 7.893 1157 2HG LYS 69 HGS LYS 69 8.743 4.919 7.001 1158 1HD LYS 69 HDS LYS 69 8.632 6.767 9.223 1159 2HD LYS 69 HDR LYS 69 10.014 7.098 8.215 1160 1HE LYS 69 HES LYS 69 8.460 8.377 7.163 1161 2HE LYS 69 HER LYS 69 8.310 6.847 6.251 1162 1HZ LYS 69 HZA LYS 69 6.648 6.838 8.511 1163 2HZ LYS 69 HZB LYS 69 6.333 8.159 7.603 1164 3HZ LYS 69 HZC LYS 69 6.247 6.670 6.938 No H/Q in entry = 1164 Start of MODEL 6 Raw file had 1198 H/Q atoms Start of MODEL 6 1 1H MET 1 HNC MET 1 -1.804 11.276 -7.811 2 2H MET 1 HN MET 1 -0.547 11.708 -6.860 3 3H MET 1 HNB MET 1 -1.706 12.798 -7.226 4 HA MET 1 HA MET 1 -1.057 13.091 -9.354 5 1HB MET 1 HBS MET 1 1.092 12.958 -7.331 6 2HB MET 1 HBR MET 1 1.650 12.919 -9.023 7 1HG MET 1 HGS MET 1 1.563 15.231 -8.549 8 2HG MET 1 HGR MET 1 0.036 14.913 -9.401 9 1HE MET 1 HME MET 1 1.467 16.834 -7.309 10 2HE MET 1 HME MET 1 0.089 17.558 -6.441 11 3HE MET 1 HME MET 1 1.189 16.442 -5.594 12 H GLU 2 HN GLU 2 0.296 10.151 -7.921 13 HA GLU 2 HA GLU 2 0.360 8.948 -10.656 14 1HB GLU 2 HBR GLU 2 1.728 7.709 -8.315 15 2HB GLU 2 HBS GLU 2 1.978 7.513 -9.963 16 1HG GLU 2 HGS GLU 2 3.596 8.971 -10.078 17 2HG GLU 2 HGR GLU 2 2.560 10.290 -9.468 18 H LEU 3 HN LEU 3 -0.257 8.366 -7.173 19 HA LEU 3 HA LEU 3 -1.783 6.060 -7.676 20 1HB LEU 3 HBR LEU 3 -1.374 7.876 -5.285 21 2HB LEU 3 HBS LEU 3 -2.226 6.314 -5.188 22 HG LEU 3 HG LEU 3 0.254 6.598 -4.425 23 1HD1 LEU 3 HMD LEU 3 -1.204 4.521 -4.575 24 2HD1 LEU 3 HMD LEU 3 -0.427 4.202 -6.147 25 3HD1 LEU 3 HMD LEU 3 0.559 4.281 -4.665 26 1HD2 LEU 3 HMD LEU 3 0.567 6.097 -7.401 27 2HD2 LEU 3 HMD LEU 3 1.156 7.494 -6.465 28 3HD2 LEU 3 HMD LEU 3 1.839 5.875 -6.174 29 HA PRO 4 HA PRO 4 -5.803 7.806 -8.387 30 1HB PRO 4 HBR PRO 4 -7.107 5.502 -8.319 31 2HB PRO 4 HBS PRO 4 -6.404 6.107 -9.675 32 1HG PRO 4 HGS PRO 4 -5.590 3.940 -8.136 33 2HG PRO 4 HGR PRO 4 -5.132 4.335 -9.691 34 1HD PRO 4 HDR PRO 4 -3.690 4.730 -7.398 35 2HD PRO 4 HDS PRO 4 -3.256 5.169 -8.933 36 H ILE 5 HN ILE 5 -7.415 8.599 -7.217 37 HA ILE 5 HA ILE 5 -7.429 7.663 -4.421 38 HB ILE 5 HB ILE 5 -8.219 9.886 -3.861 39 1HG1 ILE 5 HG1 ILE 5 -9.676 10.034 -5.969 40 2HG1 ILE 5 HG1 ILE 5 -8.955 11.535 -5.328 41 1HG2 ILE 5 HMG ILE 5 -5.887 9.785 -5.752 42 2HG2 ILE 5 HMG ILE 5 -6.374 11.302 -4.951 43 3HG2 ILE 5 HMG ILE 5 -5.910 9.885 -3.972 44 1HD1 ILE 5 HMD ILE 5 -7.178 10.383 -7.275 45 2HD1 ILE 5 HMD ILE 5 -8.821 10.512 -7.959 46 3HD1 ILE 5 HMD ILE 5 -8.017 11.957 -7.292 47 H ALA 6 HN ALA 6 -9.356 7.547 -7.227 48 HA ALA 6 HA ALA 6 -11.945 7.331 -5.977 49 1HB ALA 6 HMB ALA 6 -10.747 6.827 -8.634 50 2HB ALA 6 HMB ALA 6 -12.145 5.807 -8.210 51 3HB ALA 6 HMB ALA 6 -12.298 7.581 -8.189 52 HA PRO 7 HA PRO 7 -10.865 2.640 -6.035 53 1HB PRO 7 HBR PRO 7 -8.273 2.068 -6.500 54 2HB PRO 7 HBS PRO 7 -9.505 1.826 -7.559 55 1HG PRO 7 HGS PRO 7 -7.548 3.810 -7.607 56 2HG PRO 7 HGR PRO 7 -8.510 3.270 -8.858 57 1HD PRO 7 HDS PRO 7 -8.837 5.594 -7.568 58 2HD PRO 7 HDR PRO 7 -9.977 4.871 -8.523 59 H ILE 8 HN ILE 8 -7.946 4.274 -5.061 60 HA ILE 8 HA ILE 8 -7.662 3.007 -2.578 61 HB ILE 8 HB ILE 8 -6.872 5.825 -3.461 62 1HG1 ILE 8 HG1 ILE 8 -5.413 3.158 -3.460 63 2HG1 ILE 8 HG1 ILE 8 -5.936 4.118 -4.874 64 1HG2 ILE 8 HMG ILE 8 -6.391 4.375 -0.912 65 2HG2 ILE 8 HMG ILE 8 -5.025 5.280 -1.617 66 3HG2 ILE 8 HMG ILE 8 -6.552 6.121 -1.240 67 1HD1 ILE 8 HMD ILE 8 -4.363 5.943 -3.956 68 2HD1 ILE 8 HMD ILE 8 -3.671 4.640 -2.954 69 3HD1 ILE 8 HMD ILE 8 -3.638 4.509 -4.733 70 H GLY 9 HN GLY 9 -9.077 6.248 -3.188 71 1HA GLY 9 HAS GLY 9 -9.974 6.725 -0.635 72 2HA GLY 9 HAR GLY 9 -10.726 7.433 -2.089 73 H ARG 10 HN ARG 10 -11.569 4.880 -3.201 74 HA ARG 10 HA ARG 10 -14.095 4.624 -1.975 75 1HB ARG 10 HBS ARG 10 -12.602 3.137 -4.099 76 2HB ARG 10 HBR ARG 10 -14.042 2.367 -3.374 77 1HG ARG 10 HGS ARG 10 -14.597 5.124 -4.073 78 2HG ARG 10 HGR ARG 10 -13.960 4.231 -5.481 79 1HD ARG 10 HDS ARG 10 -15.617 2.438 -4.987 80 2HD ARG 10 HDR ARG 10 -16.321 3.513 -3.748 81 HE ARG 10 HE ARG 10 -16.423 5.118 -5.879 82 1HH1 ARG 10 HH1 ARG 10 -16.995 1.638 -5.857 83 2HH1 ARG 10 HH1 ARG 10 -18.273 1.732 -7.023 84 1HH2 ARG 10 HH2 ARG 10 -18.182 5.214 -7.304 85 2HH2 ARG 10 HH2 ARG 10 -18.943 3.755 -7.844 86 H ILE 11 HN ILE 11 -11.145 2.663 -1.721 87 HA ILE 11 HA ILE 11 -12.124 0.674 0.044 88 HB ILE 11 HB ILE 11 -9.343 1.918 -0.215 89 1HG1 ILE 11 HG1 ILE 11 -10.182 -0.765 -1.311 90 2HG1 ILE 11 HG1 ILE 11 -10.601 0.735 -2.187 91 1HG2 ILE 11 HMG ILE 11 -9.714 0.727 1.954 92 2HG2 ILE 11 HMG ILE 11 -10.017 -0.758 1.014 93 3HG2 ILE 11 HMG ILE 11 -8.426 0.044 0.926 94 1HD1 ILE 11 HMD ILE 11 -8.172 1.322 -2.204 95 2HD1 ILE 11 HMD ILE 11 -7.829 -0.279 -1.493 96 3HD1 ILE 11 HMD ILE 11 -8.572 -0.161 -3.111 97 H ILE 12 HN ILE 12 -10.797 3.928 0.625 98 HA ILE 12 HA ILE 12 -10.718 3.727 3.424 99 HB ILE 12 HB ILE 12 -11.137 6.324 1.878 100 1HG1 ILE 12 HG1 ILE 12 -9.508 5.184 0.599 101 2HG1 ILE 12 HG1 ILE 12 -8.620 6.348 1.621 102 1HG2 ILE 12 HMG ILE 12 -10.783 5.899 4.563 103 2HG2 ILE 12 HMG ILE 12 -9.125 6.242 4.002 104 3HG2 ILE 12 HMG ILE 12 -10.433 7.413 3.686 105 1HD1 ILE 12 HMD ILE 12 -8.948 3.478 2.477 106 2HD1 ILE 12 HMD ILE 12 -7.673 3.961 1.326 107 3HD1 ILE 12 HMD ILE 12 -7.715 4.673 2.961 108 H LYS 13 HN LYS 13 -13.300 4.769 1.240 109 HA LYS 13 HA LYS 13 -15.132 5.710 3.275 110 1HB LYS 13 HBS LYS 13 -15.089 5.665 0.487 111 2HB LYS 13 HBR LYS 13 -16.376 4.506 0.930 112 1HG LYS 13 HGR LYS 13 -16.217 7.328 2.047 113 2HG LYS 13 HGS LYS 13 -17.117 6.909 0.561 114 1HD LYS 13 HDS LYS 13 -18.341 5.181 1.961 115 2HD LYS 13 HDR LYS 13 -17.611 5.926 3.357 116 1HE LYS 13 HES LYS 13 -18.620 8.124 2.145 117 2HE LYS 13 HER LYS 13 -19.795 6.874 1.650 118 1HZ LYS 13 HZB LYS 13 -19.038 6.833 4.415 119 2HZ LYS 13 HZC LYS 13 -19.882 8.154 3.959 120 3HZ LYS 13 HZA LYS 13 -20.511 6.664 3.730 121 H ASP 14 HN ASP 14 -14.541 2.630 1.572 122 HA ASP 14 HA ASP 14 -16.466 1.128 2.744 123 1HB ASP 14 HBS ASP 14 -14.926 0.457 0.909 124 2HB ASP 14 HBR ASP 14 -13.703 0.082 2.157 125 H ALA 15 HN ALA 15 -13.303 1.917 4.099 126 HA ALA 15 HA ALA 15 -13.534 0.657 6.599 127 1HB ALA 15 HMB ALA 15 -12.013 2.847 5.411 128 2HB ALA 15 HMB ALA 15 -12.355 3.095 7.142 129 3HB ALA 15 HMB ALA 15 -11.526 1.613 6.599 130 H GLY 16 HN GLY 16 -14.760 3.819 5.493 131 1HA GLY 16 HAR GLY 16 -17.001 4.324 6.459 132 2HA GLY 16 HAS GLY 16 -16.261 4.100 8.067 133 H ALA 17 HN ALA 17 -14.205 5.516 5.706 134 HA ALA 17 HA ALA 17 -13.946 8.017 6.849 135 1HB ALA 17 HMB ALA 17 -12.841 6.698 4.720 136 2HB ALA 17 HMB ALA 17 -13.700 8.040 3.924 137 3HB ALA 17 HMB ALA 17 -12.497 8.382 5.192 138 H GLU 18 HN GLU 18 -14.968 9.902 6.810 139 HA GLU 18 HA GLU 18 -17.602 9.971 5.392 140 1HB GLU 18 HBS GLU 18 -17.114 9.940 7.999 141 2HB GLU 18 HBR GLU 18 -16.929 11.598 7.812 142 1HG GLU 18 HGS GLU 18 -19.234 11.540 6.614 143 2HG GLU 18 HGR GLU 18 -19.415 9.873 7.224 144 H ARG 19 HN ARG 19 -14.710 11.756 6.437 145 HA ARG 19 HA ARG 19 -14.818 13.243 3.926 146 1HB ARG 19 HBS ARG 19 -15.898 14.553 6.055 147 2HB ARG 19 HBR ARG 19 -14.178 15.010 6.210 148 1HG ARG 19 HGS ARG 19 -14.754 16.685 4.820 149 2HG ARG 19 HGR ARG 19 -14.579 15.437 3.554 150 1HD ARG 19 HDS ARG 19 -17.132 15.025 4.431 151 2HD ARG 19 HDR ARG 19 -16.960 16.797 4.573 152 HE ARG 19 HE ARG 19 -16.104 15.592 2.035 153 1HH1 ARG 19 HH1 ARG 19 -18.424 17.555 3.822 154 2HH1 ARG 19 HH1 ARG 19 -19.300 18.010 2.399 155 1HH2 ARG 19 HH2 ARG 19 -17.351 16.105 0.212 156 2HH2 ARG 19 HH2 ARG 19 -18.692 17.192 0.355 157 H VAL 20 HN VAL 20 -12.947 12.622 3.140 158 HA VAL 20 HA VAL 20 -10.531 12.970 4.842 159 HB VAL 20 HB VAL 20 -10.723 11.346 2.301 160 1HG1 VAL 20 HMG VAL 20 -8.575 11.720 4.381 161 2HG1 VAL 20 HMG VAL 20 -8.629 10.280 3.335 162 3HG1 VAL 20 HMG VAL 20 -8.477 11.900 2.612 163 1HG2 VAL 20 HMG VAL 20 -12.174 10.479 4.183 164 2HG2 VAL 20 HMG VAL 20 -10.946 9.359 3.547 165 3HG2 VAL 20 HMG VAL 20 -10.670 10.199 5.091 166 H SER 21 HN SER 21 -9.265 14.595 4.411 167 HA SER 21 HA SER 21 -9.664 16.428 2.227 168 1HB SER 21 HBS SER 21 -8.667 17.284 4.190 169 2HB SER 21 HBR SER 21 -7.397 16.025 4.191 170 HG SER 21 HG SER 21 -7.700 18.469 2.837 171 H ASP 22 HN ASP 22 -8.621 16.620 0.325 172 HA ASP 22 HA ASP 22 -7.698 14.338 -0.953 173 1HB ASP 22 HBR ASP 22 -6.743 16.020 -2.657 174 2HB ASP 22 HBS ASP 22 -8.505 15.906 -2.382 175 H ASP 23 HN ASP 23 -5.918 16.710 0.901 176 HA ASP 23 HA ASP 23 -3.306 15.852 0.238 177 1HB ASP 23 HBS ASP 23 -3.640 17.925 1.351 178 2HB ASP 23 HBR ASP 23 -4.367 17.110 2.766 179 H ALA 24 HN ALA 24 -5.549 14.773 2.788 180 HA ALA 24 HA ALA 24 -3.834 12.856 3.919 181 1HB ALA 24 HMB ALA 24 -6.246 13.848 4.554 182 2HB ALA 24 HMB ALA 24 -6.744 12.272 3.889 183 3HB ALA 24 HMB ALA 24 -5.587 12.342 5.242 184 H ARG 25 HN ARG 25 -6.569 12.303 1.663 185 HA ARG 25 HA ARG 25 -6.230 9.537 1.548 186 1HB ARG 25 HBS ARG 25 -7.539 9.724 -0.642 187 2HB ARG 25 HBR ARG 25 -8.303 10.336 0.853 188 1HG ARG 25 HGS ARG 25 -7.443 12.647 0.128 189 2HG ARG 25 HGR ARG 25 -7.158 11.897 -1.468 190 1HD ARG 25 HDS ARG 25 -9.793 11.853 -0.001 191 2HD ARG 25 HDR ARG 25 -9.340 13.062 -1.236 192 HE ARG 25 HE ARG 25 -8.955 10.489 -2.333 193 1HH1 ARG 25 HH1 ARG 25 -11.667 12.321 -1.020 194 2HH1 ARG 25 HH1 ARG 25 -12.787 11.711 -2.193 195 1HH2 ARG 25 HH2 ARG 25 -10.413 9.834 -3.942 196 2HH2 ARG 25 HH2 ARG 25 -12.080 10.293 -3.838 197 H ILE 26 HN ILE 26 -4.661 12.085 -0.272 198 HA ILE 26 HA ILE 26 -3.410 10.293 -2.156 199 HB ILE 26 HB ILE 26 -2.855 13.203 -1.400 200 1HG1 ILE 26 HG1 ILE 26 -4.282 12.042 -3.823 201 2HG1 ILE 26 HG1 ILE 26 -5.103 12.618 -2.345 202 1HG2 ILE 26 HMG ILE 26 -1.745 11.572 -3.693 203 2HG2 ILE 26 HMG ILE 26 -1.653 13.349 -3.567 204 3HG2 ILE 26 HMG ILE 26 -0.838 12.325 -2.355 205 1HD1 ILE 26 HMD ILE 26 -3.238 14.490 -3.741 206 2HD1 ILE 26 HMD ILE 26 -4.824 14.155 -4.487 207 3HD1 ILE 26 HMD ILE 26 -4.738 14.821 -2.835 208 H THR 27 HN THR 27 -2.639 11.560 1.023 209 HA THR 27 HA THR 27 0.171 10.954 1.043 210 HB THR 27 HB THR 27 -1.879 11.269 3.304 211 HG1 THR 27 HG1 THR 27 -1.682 12.874 2.368 212 1HG2 THR 27 HMG THR 27 0.520 9.971 3.623 213 2HG2 THR 27 HMG THR 27 0.944 11.661 3.999 214 3HG2 THR 27 HMG THR 27 -0.364 10.850 4.896 215 H LEU 28 HN LEU 28 -2.795 9.169 1.833 216 HA LEU 28 HA LEU 28 -1.563 6.721 2.646 217 1HB LEU 28 HBR LEU 28 -4.060 7.794 2.540 218 2HB LEU 28 HBS LEU 28 -4.116 6.727 1.118 219 HG LEU 28 HG LEU 28 -4.361 4.871 2.322 220 1HD1 LEU 28 HMD LEU 28 -2.045 5.162 3.403 221 2HD1 LEU 28 HMD LEU 28 -2.921 5.897 4.770 222 3HD1 LEU 28 HMD LEU 28 -3.277 4.222 4.280 223 1HD2 LEU 28 HMD LEU 28 -5.333 7.216 3.804 224 2HD2 LEU 28 HMD LEU 28 -6.176 5.738 3.272 225 3HD2 LEU 28 HMD LEU 28 -5.212 5.723 4.772 226 H ALA 29 HN ALA 29 -2.764 7.923 -0.499 227 HA ALA 29 HA ALA 29 -2.030 5.739 -2.051 228 1HB ALA 29 HMB ALA 29 -3.026 8.326 -2.470 229 2HB ALA 29 HMB ALA 29 -1.570 8.200 -3.491 230 3HB ALA 29 HMB ALA 29 -2.880 7.002 -3.653 231 H LYS 30 HN LYS 30 -0.086 8.645 -1.295 232 HA LYS 30 HA LYS 30 2.233 7.733 -2.669 233 1HB LYS 30 HBR LYS 30 1.561 10.120 -1.831 234 2HB LYS 30 HBS LYS 30 2.385 9.616 -0.328 235 1HG LYS 30 HGR LYS 30 4.343 8.963 -1.961 236 2HG LYS 30 HGS LYS 30 3.528 10.102 -3.073 237 1HD LYS 30 HDS LYS 30 5.017 11.484 -2.056 238 2HD LYS 30 HDR LYS 30 3.558 11.747 -1.141 239 1HE LYS 30 HES LYS 30 5.668 9.798 -0.243 240 2HE LYS 30 HER LYS 30 5.678 11.532 0.183 241 1HZ LYS 30 HZA LYS 30 3.354 11.096 0.994 242 2HZ LYS 30 HZB LYS 30 3.701 9.502 0.911 243 3HZ LYS 30 HZC LYS 30 4.567 10.476 1.895 244 H ILE 31 HN ILE 31 0.970 7.173 0.535 245 HA ILE 31 HA ILE 31 3.294 5.808 1.588 246 HB ILE 31 HB ILE 31 0.580 6.476 2.391 247 1HG1 ILE 31 HG1 ILE 31 2.243 5.512 4.530 248 2HG1 ILE 31 HG1 ILE 31 3.233 6.431 3.360 249 1HG2 ILE 31 HMG ILE 31 0.057 4.074 2.121 250 2HG2 ILE 31 HMG ILE 31 1.363 3.686 3.272 251 3HG2 ILE 31 HMG ILE 31 -0.035 4.657 3.803 252 1HD1 ILE 31 HMD ILE 31 0.763 7.821 3.822 253 2HD1 ILE 31 HMD ILE 31 1.528 7.441 5.386 254 3HD1 ILE 31 HMD ILE 31 2.432 8.354 4.149 255 H LEU 32 HN LEU 32 0.286 4.783 -0.072 256 HA LEU 32 HA LEU 32 0.756 2.107 -0.201 257 1HB LEU 32 HBR LEU 32 -0.851 4.127 -1.553 258 2HB LEU 32 HBS LEU 32 -0.508 2.725 -2.604 259 HG LEU 32 HG LEU 32 -2.693 2.693 -1.326 260 1HD1 LEU 32 HMD LEU 32 -0.857 0.730 -2.064 261 2HD1 LEU 32 HMD LEU 32 -1.354 0.269 -0.416 262 3HD1 LEU 32 HMD LEU 32 -2.583 0.496 -1.687 263 1HD2 LEU 32 HMD LEU 32 -0.723 2.508 0.935 264 2HD2 LEU 32 HMD LEU 32 -2.271 3.383 0.836 265 3HD2 LEU 32 HMD LEU 32 -2.260 1.611 1.022 266 H GLU 33 HN GLU 33 1.969 4.584 -2.431 267 HA GLU 33 HA GLU 33 2.962 2.681 -4.316 268 1HB GLU 33 HBR GLU 33 2.195 5.093 -4.595 269 2HB GLU 33 HBS GLU 33 3.622 5.560 -3.847 270 1HG GLU 33 HGS GLU 33 4.207 5.862 -6.037 271 2HG GLU 33 HGR GLU 33 4.968 4.286 -5.683 272 H GLU 34 HN GLU 34 4.482 4.640 -1.759 273 HA GLU 34 HA GLU 34 7.162 3.840 -2.558 274 1HB GLU 34 HBS GLU 34 6.582 6.020 -1.825 275 2HB GLU 34 HBR GLU 34 5.942 5.511 -0.360 276 1HG GLU 34 HGS GLU 34 8.677 4.559 -0.695 277 2HG GLU 34 HGR GLU 34 8.654 6.327 -0.946 278 H MET 35 HN MET 35 4.718 2.705 -0.398 279 HA MET 35 HA MET 35 6.504 0.821 0.987 280 1HB MET 35 HBS MET 35 3.917 1.761 1.455 281 2HB MET 35 HBR MET 35 3.686 0.088 0.889 282 1HG MET 35 HGS MET 35 5.766 0.775 3.005 283 2HG MET 35 HGR MET 35 4.061 0.511 3.435 284 1HE MET 35 HME MET 35 4.460 -1.077 4.849 285 2HE MET 35 HME MET 35 3.982 -2.712 4.328 286 3HE MET 35 HME MET 35 5.680 -2.371 4.746 287 H GLY 36 HN GLY 36 4.038 0.830 -1.599 288 1HA GLY 36 HAR GLY 36 4.302 -1.761 -2.472 289 2HA GLY 36 HAS GLY 36 3.867 -0.400 -3.543 290 H ARG 37 HN ARG 37 6.320 1.039 -3.339 291 HA ARG 37 HA ARG 37 7.933 -0.440 -5.271 292 1HB ARG 37 HBS ARG 37 9.276 1.474 -5.454 293 2HB ARG 37 HBR ARG 37 7.596 2.062 -5.308 294 1HG ARG 37 HGS ARG 37 8.401 3.502 -3.819 295 2HG ARG 37 HGR ARG 37 8.473 2.115 -2.695 296 1HD ARG 37 HDS ARG 37 10.611 2.756 -2.514 297 2HD ARG 37 HDR ARG 37 10.787 1.762 -3.986 298 HE ARG 37 HE ARG 37 10.855 4.699 -3.809 299 1HH1 ARG 37 HH1 ARG 37 11.123 1.769 -5.755 300 2HH1 ARG 37 HH1 ARG 37 11.644 2.625 -7.167 301 1HH2 ARG 37 HH2 ARG 37 11.380 5.797 -5.721 302 2HH2 ARG 37 HH2 ARG 37 11.777 4.905 -7.153 303 H ASP 38 HN ASP 38 8.074 0.495 -1.849 304 HA ASP 38 HA ASP 38 10.627 -0.411 -1.296 305 1HB ASP 38 HBR ASP 38 8.273 0.311 0.246 306 2HB ASP 38 HBS ASP 38 9.274 -0.939 1.041 307 H ILE 39 HN ILE 39 7.584 -2.263 -1.100 308 HA ILE 39 HA ILE 39 8.772 -4.684 -0.222 309 HB ILE 39 HB ILE 39 6.240 -4.378 -1.913 310 1HG1 ILE 39 HG1 ILE 39 6.428 -4.313 1.118 311 2HG1 ILE 39 HG1 ILE 39 6.374 -2.849 0.097 312 1HG2 ILE 39 HMG ILE 39 7.157 -6.525 0.007 313 2HG2 ILE 39 HMG ILE 39 5.495 -6.385 -0.627 314 3HG2 ILE 39 HMG ILE 39 6.854 -6.676 -1.744 315 1HD1 ILE 39 HMD ILE 39 4.243 -4.932 -0.214 316 2HD1 ILE 39 HMD ILE 39 4.188 -3.823 1.183 317 3HD1 ILE 39 HMD ILE 39 4.167 -3.169 -0.477 318 H ALA 40 HN ALA 40 7.853 -3.605 -3.508 319 HA ALA 40 HA ALA 40 8.436 -6.042 -4.748 320 1HB ALA 40 HMB ALA 40 7.045 -4.235 -5.702 321 2HB ALA 40 HMB ALA 40 8.523 -3.289 -6.014 322 3HB ALA 40 HMB ALA 40 8.277 -4.855 -6.830 323 H SER 41 HN SER 41 10.476 -3.171 -4.267 324 HA SER 41 HA SER 41 12.668 -4.153 -5.928 325 1HB SER 41 HBR SER 41 12.164 -1.699 -5.407 326 2HB SER 41 HBS SER 41 12.854 -2.031 -3.792 327 HG SER 41 HG SER 41 14.742 -1.871 -4.489 328 H GLU 42 HN GLU 42 11.544 -4.425 -2.632 329 HA GLU 42 HA GLU 42 13.881 -5.716 -1.611 330 1HB GLU 42 HBS GLU 42 11.306 -4.912 -0.854 331 2HB GLU 42 HBR GLU 42 11.346 -6.542 -0.452 332 1HG GLU 42 HGR GLU 42 12.191 -5.481 1.564 333 2HG GLU 42 HGS GLU 42 13.660 -5.945 0.663 334 H ALA 43 HN ALA 43 10.857 -6.921 -3.076 335 HA ALA 43 HA ALA 43 11.506 -9.731 -2.545 336 1HB ALA 43 HMB ALA 43 9.299 -8.322 -4.060 337 2HB ALA 43 HMB ALA 43 9.477 -10.095 -3.993 338 3HB ALA 43 HMB ALA 43 9.202 -9.169 -2.495 339 H ILE 44 HN ILE 44 11.663 -7.370 -5.167 340 HA ILE 44 HA ILE 44 12.888 -9.071 -7.134 341 HB ILE 44 HB ILE 44 12.822 -6.082 -6.572 342 1HG1 ILE 44 HG1 ILE 44 11.851 -7.670 -8.968 343 2HG1 ILE 44 HG1 ILE 44 10.874 -7.392 -7.498 344 1HG2 ILE 44 HMG ILE 44 15.069 -6.923 -7.652 345 2HG2 ILE 44 HMG ILE 44 14.059 -7.040 -9.118 346 3HG2 ILE 44 HMG ILE 44 14.220 -5.480 -8.268 347 1HD1 ILE 44 HMD ILE 44 11.009 -4.967 -7.877 348 2HD1 ILE 44 HMD ILE 44 11.970 -5.252 -9.351 349 3HD1 ILE 44 HMD ILE 44 10.278 -5.814 -9.266 350 H LYS 45 HN LYS 45 14.205 -6.922 -4.582 351 HA LYS 45 HA LYS 45 16.844 -7.685 -4.691 352 1HB LYS 45 HBR LYS 45 15.092 -6.519 -2.672 353 2HB LYS 45 HBS LYS 45 16.357 -7.552 -1.950 354 1HG LYS 45 HGR LYS 45 16.994 -5.134 -2.160 355 2HG LYS 45 HGS LYS 45 18.106 -6.263 -2.984 356 1HD LYS 45 HDS LYS 45 16.516 -5.753 -5.041 357 2HD LYS 45 HDR LYS 45 16.174 -4.309 -4.127 358 1HE LYS 45 HES LYS 45 18.911 -4.404 -3.992 359 2HE LYS 45 HER LYS 45 18.557 -5.046 -5.620 360 1HZ LYS 45 HZB LYS 45 17.196 -3.082 -5.980 361 2HZ LYS 45 HZC LYS 45 17.619 -2.486 -4.520 362 3HZ LYS 45 HZA LYS 45 18.751 -2.685 -5.681 363 H LEU 46 HN LEU 46 14.126 -9.518 -3.465 364 HA LEU 46 HA LEU 46 15.739 -11.270 -1.807 365 1HB LEU 46 HBR LEU 46 12.844 -10.935 -2.530 366 2HB LEU 46 HBS LEU 46 13.394 -12.436 -1.731 367 HG LEU 46 HG LEU 46 14.121 -9.821 -0.487 368 1HD1 LEU 46 HMD LEU 46 11.372 -10.810 -0.916 369 2HD1 LEU 46 HMD LEU 46 11.784 -10.440 0.777 370 3HD1 LEU 46 HMD LEU 46 11.958 -9.186 -0.476 371 1HD2 LEU 46 HMD LEU 46 13.545 -12.669 0.297 372 2HD2 LEU 46 HMD LEU 46 14.987 -11.671 0.620 373 3HD2 LEU 46 HMD LEU 46 13.474 -11.368 1.513 374 H ALA 47 HN ALA 47 13.928 -11.562 -4.868 375 HA ALA 47 HA ALA 47 14.912 -14.144 -5.628 376 1HB ALA 47 HMB ALA 47 13.979 -11.731 -7.194 377 2HB ALA 47 HMB ALA 47 14.458 -13.275 -7.946 378 3HB ALA 47 HMB ALA 47 13.079 -13.222 -6.818 379 H ARG 48 HN ARG 48 16.182 -10.846 -5.809 380 HA ARG 48 HA ARG 48 18.201 -11.430 -7.744 381 1HB ARG 48 HBR ARG 48 17.307 -9.181 -7.438 382 2HB ARG 48 HBS ARG 48 17.975 -9.124 -5.782 383 1HG ARG 48 HGS ARG 48 19.339 -7.848 -7.388 384 2HG ARG 48 HGR ARG 48 20.244 -9.207 -6.662 385 1HD ARG 48 HDS ARG 48 20.817 -9.493 -8.828 386 2HD ARG 48 HDR ARG 48 19.327 -10.475 -8.786 387 HE ARG 48 HE ARG 48 18.364 -8.065 -9.524 388 1HH1 ARG 48 HH1 ARG 48 20.909 -10.152 -10.789 389 2HH1 ARG 48 HH1 ARG 48 20.876 -9.423 -12.358 390 1HH2 ARG 48 HH2 ARG 48 18.438 -7.054 -11.551 391 2HH2 ARG 48 HH2 ARG 48 19.480 -7.670 -12.791 392 H HIS 49 HN HIS 49 18.335 -10.872 -4.210 393 HA HIS 49 HA HIS 49 21.052 -11.533 -3.844 394 1HB HIS 49 HBS HIS 49 18.797 -11.040 -2.113 395 2HB HIS 49 HBR HIS 49 19.637 -12.523 -1.575 396 HD1 HIS 49 HD1 HIS 49 21.854 -12.181 -0.321 397 HD2 HIS 49 HD2 HIS 49 20.505 -8.735 -2.231 398 HE1 HIS 49 HE1 HIS 49 23.272 -10.300 0.533 399 HE2 HIS 49 HE2 HIS 49 22.446 -8.207 -0.604 400 H ALA 50 HN ALA 50 18.165 -13.539 -4.149 401 HA ALA 50 HA ALA 50 19.421 -16.088 -3.676 402 1HB ALA 50 HMB ALA 50 16.873 -15.056 -4.610 403 2HB ALA 50 HMB ALA 50 17.426 -16.437 -5.590 404 3HB ALA 50 HMB ALA 50 17.269 -16.605 -3.824 405 H GLY 51 HN GLY 51 18.868 -14.044 -6.551 406 1HA GLY 51 HAR GLY 51 20.129 -14.012 -8.564 407 2HA GLY 51 HAS GLY 51 20.945 -15.519 -8.065 408 H ARG 52 HN ARG 52 17.468 -14.696 -8.131 409 HA ARG 52 HA ARG 52 17.037 -17.154 -9.758 410 1HB ARG 52 HBR ARG 52 16.346 -17.062 -7.275 411 2HB ARG 52 HBS ARG 52 15.044 -15.969 -7.826 412 1HG ARG 52 HGS ARG 52 13.922 -17.953 -7.911 413 2HG ARG 52 HGR ARG 52 14.624 -17.951 -9.555 414 1HD ARG 52 HDS ARG 52 16.622 -19.145 -8.382 415 2HD ARG 52 HDR ARG 52 15.401 -19.520 -7.133 416 HE ARG 52 HE ARG 52 14.282 -20.906 -8.662 417 1HH1 ARG 52 HH1 ARG 52 17.198 -19.494 -10.051 418 2HH1 ARG 52 HH1 ARG 52 17.104 -20.447 -11.493 419 1HH2 ARG 52 HH2 ARG 52 14.120 -22.041 -10.618 420 2HH2 ARG 52 HH2 ARG 52 15.363 -21.889 -11.815 421 H LYS 53 HN LYS 53 15.172 -17.216 -11.103 422 HA LYS 53 HA LYS 53 14.662 -14.656 -12.403 423 1HB LYS 53 HBR LYS 53 15.183 -16.675 -13.711 424 2HB LYS 53 HBS LYS 53 13.698 -17.453 -13.092 425 1HG LYS 53 HGR LYS 53 12.704 -15.109 -14.118 426 2HG LYS 53 HGS LYS 53 14.053 -15.449 -15.240 427 1HD LYS 53 HDS LYS 53 12.564 -17.855 -14.719 428 2HD LYS 53 HDR LYS 53 11.472 -16.577 -15.177 429 1HE LYS 53 HES LYS 53 12.495 -18.057 -17.020 430 2HE LYS 53 HER LYS 53 12.384 -16.289 -17.255 431 1HZ LYS 53 HZA LYS 53 14.794 -17.548 -16.174 432 2HZ LYS 53 HZB LYS 53 14.559 -17.400 -17.783 433 3HZ LYS 53 HZC LYS 53 14.633 -16.066 -16.842 434 H THR 54 HN THR 54 12.687 -13.716 -12.758 435 HA THR 54 HA THR 54 10.482 -13.190 -12.525 436 HB THR 54 HB THR 54 10.255 -16.182 -11.876 437 HG1 THR 54 HG1 THR 54 10.290 -16.425 -13.661 438 1HG2 THR 54 HMG THR 54 8.288 -14.833 -11.061 439 2HG2 THR 54 HMG THR 54 8.003 -14.365 -12.758 440 3HG2 THR 54 HMG THR 54 7.914 -16.080 -12.278 441 H ILE 55 HN ILE 55 9.541 -12.041 -11.021 442 HA ILE 55 HA ILE 55 9.834 -12.784 -8.164 443 HB ILE 55 HB ILE 55 8.761 -10.253 -9.505 444 1HG1 ILE 55 HG1 ILE 55 11.118 -10.401 -9.805 445 2HG1 ILE 55 HG1 ILE 55 10.820 -9.217 -8.500 446 1HG2 ILE 55 HMG ILE 55 8.123 -11.189 -6.966 447 2HG2 ILE 55 HMG ILE 55 9.417 -9.994 -6.691 448 3HG2 ILE 55 HMG ILE 55 7.943 -9.524 -7.578 449 1HD1 ILE 55 HMD ILE 55 11.666 -12.103 -8.100 450 2HD1 ILE 55 HMD ILE 55 12.741 -10.680 -8.020 451 3HD1 ILE 55 HMD ILE 55 11.430 -10.877 -6.825 452 H LYS 56 HN LYS 56 8.149 -13.382 -6.934 453 HA LYS 56 HA LYS 56 5.530 -13.857 -8.263 454 1HB LYS 56 HBS LYS 56 7.621 -15.812 -7.702 455 2HB LYS 56 HBR LYS 56 6.095 -16.192 -6.854 456 1HG LYS 56 HGR LYS 56 4.871 -16.196 -8.945 457 2HG LYS 56 HGS LYS 56 6.314 -15.634 -9.837 458 1HD LYS 56 HDS LYS 56 5.979 -17.983 -10.210 459 2HD LYS 56 HDR LYS 56 7.477 -17.660 -9.382 460 1HE LYS 56 HES LYS 56 6.846 -18.670 -7.454 461 2HE LYS 56 HER LYS 56 5.123 -18.259 -7.691 462 1HZ LYS 56 HZB LYS 56 5.540 -19.909 -9.697 463 2HZ LYS 56 HZC LYS 56 6.606 -20.535 -8.629 464 3HZ LYS 56 HZA LYS 56 5.028 -20.406 -8.229 465 H ALA 57 HN ALA 57 4.405 -15.480 -6.422 466 HA ALA 57 HA ALA 57 3.548 -13.419 -4.628 467 1HB ALA 57 HMB ALA 57 2.770 -16.313 -5.021 468 2HB ALA 57 HMB ALA 57 2.011 -15.257 -3.802 469 3HB ALA 57 HMB ALA 57 1.901 -14.843 -5.531 470 H GLU 58 HN GLU 58 5.357 -16.449 -4.251 471 HA GLU 58 HA GLU 58 5.723 -16.339 -1.400 472 1HB GLU 58 HBR GLU 58 7.503 -17.418 -3.594 473 2HB GLU 58 HBS GLU 58 7.676 -17.684 -1.946 474 1HG GLU 58 HGS GLU 58 6.607 -19.597 -3.078 475 2HG GLU 58 HGR GLU 58 5.647 -18.990 -1.702 476 H ASP 59 HN ASP 59 7.270 -14.835 -4.205 477 HA ASP 59 HA ASP 59 9.611 -14.081 -2.735 478 1HB ASP 59 HBS ASP 59 8.805 -14.211 -5.478 479 2HB ASP 59 HBR ASP 59 9.554 -12.625 -5.134 480 H ILE 60 HN ILE 60 6.741 -12.348 -3.886 481 HA ILE 60 HA ILE 60 7.430 -9.782 -2.779 482 HB ILE 60 HB ILE 60 4.745 -11.101 -3.410 483 1HG1 ILE 60 HG1 ILE 60 6.301 -10.766 -5.309 484 2HG1 ILE 60 HG1 ILE 60 4.789 -9.825 -5.455 485 1HG2 ILE 60 HMG ILE 60 5.382 -8.318 -2.465 486 2HG2 ILE 60 HMG ILE 60 3.945 -8.662 -3.462 487 3HG2 ILE 60 HMG ILE 60 4.142 -9.457 -1.878 488 1HD1 ILE 60 HMD ILE 60 6.166 -7.877 -4.454 489 2HD1 ILE 60 HMD ILE 60 7.587 -8.858 -4.903 490 3HD1 ILE 60 HMD ILE 60 6.431 -8.335 -6.158 491 H GLU 61 HN GLU 61 5.346 -12.457 -1.609 492 HA GLU 61 HA GLU 61 4.700 -11.265 0.847 493 1HB GLU 61 HBR GLU 61 4.770 -14.066 -0.236 494 2HB GLU 61 HBS GLU 61 4.522 -13.826 1.406 495 1HG GLU 61 HGS GLU 61 2.521 -12.731 1.252 496 2HG GLU 61 HGR GLU 61 2.739 -12.239 -0.450 497 H LEU 62 HN LEU 62 7.538 -13.040 -0.166 498 HA LEU 62 HA LEU 62 8.824 -13.351 2.360 499 1HB LEU 62 HBS LEU 62 9.410 -13.510 -0.471 500 2HB LEU 62 HBR LEU 62 10.737 -12.694 0.406 501 HG LEU 62 HG LEU 62 11.080 -15.126 0.098 502 1HD1 LEU 62 HMD LEU 62 11.292 -13.583 2.501 503 2HD1 LEU 62 HMD LEU 62 10.886 -15.262 2.935 504 3HD1 LEU 62 HMD LEU 62 12.321 -14.922 1.935 505 1HD2 LEU 62 HMD LEU 62 8.425 -15.117 1.438 506 2HD2 LEU 62 HMD LEU 62 9.104 -16.240 0.232 507 3HD2 LEU 62 HMD LEU 62 9.573 -16.380 1.946 508 H ALA 63 HN ALA 63 9.132 -10.740 -0.080 509 HA ALA 63 HA ALA 63 10.448 -8.889 1.472 510 1HB ALA 63 HMB ALA 63 8.594 -8.742 -0.856 511 2HB ALA 63 HMB ALA 63 9.005 -7.227 -0.012 512 3HB ALA 63 HMB ALA 63 10.297 -8.242 -0.701 513 H VAL 64 HN VAL 64 6.915 -9.341 1.185 514 HA VAL 64 HA VAL 64 6.471 -6.925 2.568 515 HB VAL 64 HB VAL 64 5.182 -8.445 0.749 516 1HG1 VAL 64 HMG VAL 64 3.552 -8.776 3.280 517 2HG1 VAL 64 HMG VAL 64 2.865 -8.863 1.641 518 3HG1 VAL 64 HMG VAL 64 4.119 -10.022 2.143 519 1HG2 VAL 64 HMG VAL 64 5.049 -5.910 1.611 520 2HG2 VAL 64 HMG VAL 64 3.941 -6.623 0.414 521 3HG2 VAL 64 HMG VAL 64 3.438 -6.476 2.115 522 H ARG 65 HN ARG 65 5.444 -10.227 3.524 523 HA ARG 65 HA ARG 65 4.915 -9.735 6.166 524 1HB ARG 65 HBR ARG 65 5.245 -12.015 4.559 525 2HB ARG 65 HBS ARG 65 6.332 -12.252 5.958 526 1HG ARG 65 HGS ARG 65 4.086 -11.404 7.221 527 2HG ARG 65 HGR ARG 65 3.370 -12.232 5.810 528 1HD ARG 65 HDS ARG 65 5.186 -13.336 7.935 529 2HD ARG 65 HDR ARG 65 3.540 -13.859 7.476 530 HE ARG 65 HE ARG 65 5.930 -14.882 6.416 531 1HH1 ARG 65 HH1 ARG 65 2.714 -13.861 5.393 532 2HH1 ARG 65 HH1 ARG 65 2.793 -14.738 3.901 533 1HH2 ARG 65 HH2 ARG 65 6.048 -15.904 4.396 534 2HH2 ARG 65 HH2 ARG 65 4.678 -15.896 3.337 535 H ARG 66 HN ARG 66 8.052 -9.939 4.633 536 HA ARG 66 HA ARG 66 9.660 -10.377 6.955 537 1HB ARG 66 HBR ARG 66 10.561 -10.657 4.714 538 2HB ARG 66 HBS ARG 66 10.309 -8.921 4.370 539 1HG ARG 66 HGS ARG 66 11.856 -8.717 6.564 540 2HG ARG 66 HGR ARG 66 12.433 -10.290 5.945 541 1HD ARG 66 HDS ARG 66 12.247 -8.654 3.703 542 2HD ARG 66 HDR ARG 66 12.922 -7.608 4.983 543 HE ARG 66 HE ARG 66 14.316 -9.630 3.585 544 1HH1 ARG 66 HH1 ARG 66 14.000 -8.189 6.787 545 2HH1 ARG 66 HH1 ARG 66 15.512 -8.825 7.341 546 1HH2 ARG 66 HH2 ARG 66 16.224 -10.551 4.387 547 2HH2 ARG 66 HH2 ARG 66 16.773 -10.159 5.983 548 H PHE 67 HN PHE 67 8.660 -7.386 5.251 549 HA PHE 67 HA PHE 67 9.506 -5.544 7.165 550 1HB PHE 67 HBS PHE 67 6.832 -5.216 5.767 551 2HB PHE 67 HBR PHE 67 7.992 -3.962 6.294 552 HD1 PHE 67 HD1 PHE 67 10.463 -4.665 5.344 553 HD2 PHE 67 HD2 PHE 67 6.725 -5.192 3.367 554 HE1 PHE 67 HE1 PHE 67 11.640 -4.795 3.196 555 HE2 PHE 67 HE2 PHE 67 7.892 -5.363 1.193 556 HZ PHE 67 HZ PHE 67 10.351 -5.056 1.109 557 H LYS 68 HN LYS 68 6.333 -7.190 6.971 558 HA LYS 68 HA LYS 68 5.217 -5.770 9.155 559 1HB LYS 68 HBS LYS 68 4.348 -8.512 8.206 560 2HB LYS 68 HBR LYS 68 3.372 -7.259 9.025 561 1HG LYS 68 HGR LYS 68 4.035 -5.834 6.881 562 2HG LYS 68 HGS LYS 68 4.248 -7.454 6.157 563 1HD LYS 68 HDS LYS 68 2.089 -7.161 5.636 564 2HD LYS 68 HDR LYS 68 1.916 -7.917 7.196 565 1HE LYS 68 HES LYS 68 1.155 -6.045 8.226 566 2HE LYS 68 HER LYS 68 2.085 -4.962 7.152 567 1HZ LYS 68 HZC LYS 68 -0.060 -6.518 5.986 568 2HZ LYS 68 HZA LYS 68 -0.477 -5.246 6.922 569 3HZ LYS 68 HZB LYS 68 0.467 -5.019 5.609 570 H LYS 69 HN LYS 69 5.802 -5.875 11.185 571 HA LYS 69 HA LYS 69 7.130 -8.063 12.486 572 1HB LYS 69 HBR LYS 69 6.592 -5.475 13.162 573 2HB LYS 69 HBS LYS 69 5.367 -6.347 14.126 574 1HG LYS 69 HGR LYS 69 7.716 -7.808 14.527 575 2HG LYS 69 HGS LYS 69 8.253 -6.104 14.534 576 1HD LYS 69 HDS LYS 69 5.877 -6.970 16.148 577 2HD LYS 69 HDR LYS 69 7.494 -7.280 16.717 578 1HE LYS 69 HES LYS 69 6.374 -4.566 16.025 579 2HE LYS 69 HER LYS 69 6.650 -5.235 17.658 580 1HZ LYS 69 HZB LYS 69 9.033 -5.512 16.624 581 2HZ LYS 69 HZC LYS 69 8.555 -4.219 15.747 582 3HZ LYS 69 HZA LYS 69 8.565 -4.141 17.378 583 1H MET 1 HN MET 1 -11.243 -4.658 -7.680 584 2H MET 1 HNC MET 1 -12.198 -3.589 -8.462 585 3H MET 1 HNB MET 1 -11.930 -5.067 -9.104 586 HA MET 1 HA MET 1 -10.400 -4.161 -10.326 587 1HB MET 1 HBS MET 1 -10.655 -1.894 -8.348 588 2HB MET 1 HBR MET 1 -9.400 -1.899 -9.619 589 1HG MET 1 HGS MET 1 -11.280 -2.289 -11.304 590 2HG MET 1 HGR MET 1 -12.417 -1.974 -9.971 591 1HE MET 1 HME MET 1 -13.522 0.030 -10.485 592 2HE MET 1 HME MET 1 -12.807 0.538 -8.934 593 3HE MET 1 HME MET 1 -12.838 1.666 -10.313 594 H GLU 2 HN GLU 2 -9.830 -3.942 -6.823 595 HA GLU 2 HA GLU 2 -8.240 -4.901 -5.480 596 1HB GLU 2 HBR GLU 2 -8.972 -6.683 -7.526 597 2HB GLU 2 HBS GLU 2 -7.294 -6.697 -7.541 598 1HG GLU 2 HGS GLU 2 -7.744 -8.432 -6.094 599 2HG GLU 2 HGR GLU 2 -7.273 -7.115 -4.985 600 H LEU 3 HN LEU 3 -7.481 -2.647 -7.135 601 HA LEU 3 HA LEU 3 -5.696 -1.511 -8.026 602 1HB LEU 3 HBR LEU 3 -4.015 -3.442 -6.423 603 2HB LEU 3 HBS LEU 3 -3.711 -1.719 -6.786 604 HG LEU 3 HG LEU 3 -5.771 -2.844 -4.871 605 1HD1 LEU 3 HMD LEU 3 -3.078 -2.455 -4.492 606 2HD1 LEU 3 HMD LEU 3 -3.761 -0.896 -3.964 607 3HD1 LEU 3 HMD LEU 3 -4.316 -2.413 -3.212 608 1HD2 LEU 3 HMD LEU 3 -5.382 -0.214 -6.181 609 2HD2 LEU 3 HMD LEU 3 -6.851 -0.956 -5.497 610 3HD2 LEU 3 HMD LEU 3 -5.665 -0.172 -4.421 611 HA PRO 4 HA PRO 4 -5.030 -4.361 -11.484 612 1HB PRO 4 HBR PRO 4 -4.930 -2.277 -13.190 613 2HB PRO 4 HBS PRO 4 -6.230 -3.255 -12.958 614 1HG PRO 4 HGS PRO 4 -5.845 -0.642 -12.062 615 2HG PRO 4 HGR PRO 4 -7.278 -1.478 -12.243 616 1HD PRO 4 HDS PRO 4 -6.097 -0.963 -9.898 617 2HD PRO 4 HDR PRO 4 -7.271 -2.103 -10.137 618 H ILE 5 HN ILE 5 -3.301 -4.844 -12.797 619 HA ILE 5 HA ILE 5 -0.883 -4.026 -11.390 620 HB ILE 5 HB ILE 5 0.142 -5.948 -12.592 621 1HG1 ILE 5 HG1 ILE 5 -2.296 -7.085 -13.710 622 2HG1 ILE 5 HG1 ILE 5 -1.943 -5.485 -14.423 623 1HG2 ILE 5 HMG ILE 5 -2.476 -6.488 -11.192 624 2HG2 ILE 5 HMG ILE 5 -1.333 -7.773 -11.663 625 3HG2 ILE 5 HMG ILE 5 -0.828 -6.507 -10.513 626 1HD1 ILE 5 HMD ILE 5 0.404 -6.346 -14.860 627 2HD1 ILE 5 HMD ILE 5 -0.211 -7.965 -14.432 628 3HD1 ILE 5 HMD ILE 5 -0.904 -7.087 -15.821 629 H ALA 6 HN ALA 6 -2.344 -2.372 -13.559 630 HA ALA 6 HA ALA 6 -0.168 -1.879 -15.471 631 1HB ALA 6 HMB ALA 6 -2.933 -0.932 -15.024 632 2HB ALA 6 HMB ALA 6 -1.783 0.299 -15.602 633 3HB ALA 6 HMB ALA 6 -2.032 -1.196 -16.538 634 HA PRO 7 HA PRO 7 0.307 1.782 -12.324 635 1HB PRO 7 HBR PRO 7 -1.149 1.504 -10.093 636 2HB PRO 7 HBS PRO 7 -1.480 2.566 -11.300 637 1HG PRO 7 HGS PRO 7 -2.810 0.205 -10.667 638 2HG PRO 7 HGR PRO 7 -3.354 1.486 -11.587 639 1HD PRO 7 HDS PRO 7 -2.508 -0.898 -12.539 640 2HD PRO 7 HDR PRO 7 -2.808 0.455 -13.441 641 H ILE 8 HN ILE 8 -0.624 -1.030 -10.488 642 HA ILE 8 HA ILE 8 1.634 -0.993 -8.841 643 HB ILE 8 HB ILE 8 -0.190 -3.314 -9.637 644 1HG1 ILE 8 HG1 ILE 8 -0.258 -1.270 -7.394 645 2HG1 ILE 8 HG1 ILE 8 -1.447 -1.516 -8.703 646 1HG2 ILE 8 HMG ILE 8 2.133 -3.818 -8.520 647 2HG2 ILE 8 HMG ILE 8 1.294 -3.277 -7.043 648 3HG2 ILE 8 HMG ILE 8 0.650 -4.650 -7.982 649 1HD1 ILE 8 HMD ILE 8 -0.950 -3.808 -6.867 650 2HD1 ILE 8 HMD ILE 8 -1.828 -2.401 -6.209 651 3HD1 ILE 8 HMD ILE 8 -2.458 -3.255 -7.643 652 H GLY 9 HN GLY 9 1.201 -2.274 -12.062 653 1HA GLY 9 HAR GLY 9 3.601 -3.765 -12.354 654 2HA GLY 9 HAS GLY 9 2.763 -2.869 -13.649 655 H ARG 10 HN ARG 10 2.888 -0.277 -12.699 656 HA ARG 10 HA ARG 10 5.647 0.321 -13.382 657 1HB ARG 10 HBR ARG 10 3.779 1.516 -14.428 658 2HB ARG 10 HBS ARG 10 3.298 2.166 -12.834 659 1HG ARG 10 HGS ARG 10 5.761 3.095 -12.813 660 2HG ARG 10 HGR ARG 10 5.631 2.890 -14.583 661 1HD ARG 10 HDS ARG 10 4.455 4.740 -14.745 662 2HD ARG 10 HDR ARG 10 3.244 4.103 -13.595 663 HE ARG 10 HE ARG 10 5.527 5.052 -12.176 664 1HH1 ARG 10 HH1 ARG 10 2.549 6.085 -13.755 665 2HH1 ARG 10 HH1 ARG 10 2.544 7.632 -12.978 666 1HH2 ARG 10 HH2 ARG 10 5.557 7.133 -11.278 667 2HH2 ARG 10 HH2 ARG 10 4.250 8.229 -11.581 668 H ILE 11 HN ILE 11 3.824 0.051 -10.497 669 HA ILE 11 HA ILE 11 5.493 1.596 -8.729 670 HB ILE 11 HB ILE 11 3.881 -0.965 -8.286 671 1HG1 ILE 11 HG1 ILE 11 3.250 1.980 -7.900 672 2HG1 ILE 11 HG1 ILE 11 2.445 0.808 -8.982 673 1HG2 ILE 11 HMG ILE 11 5.628 -0.737 -6.593 674 2HG2 ILE 11 HMG ILE 11 5.049 0.908 -6.216 675 3HG2 ILE 11 HMG ILE 11 4.001 -0.501 -5.903 676 1HD1 ILE 11 HMD ILE 11 1.820 -0.436 -6.799 677 2HD1 ILE 11 HMD ILE 11 2.225 1.104 -5.993 678 3HD1 ILE 11 HMD ILE 11 0.939 1.054 -7.227 679 H ILE 12 HN ILE 12 5.557 -1.766 -9.932 680 HA ILE 12 HA ILE 12 7.952 -2.296 -8.363 681 HB ILE 12 HB ILE 12 6.155 -4.051 -10.099 682 1HG1 ILE 12 HG1 ILE 12 6.302 -3.329 -7.182 683 2HG1 ILE 12 HG1 ILE 12 4.901 -3.370 -8.283 684 1HG2 ILE 12 HMG ILE 12 8.789 -4.611 -9.110 685 2HG2 ILE 12 HMG ILE 12 7.604 -5.662 -8.291 686 3HG2 ILE 12 HMG ILE 12 7.694 -5.638 -10.072 687 1HD1 ILE 12 HMD ILE 12 5.725 -6.036 -8.115 688 2HD1 ILE 12 HMD ILE 12 5.900 -5.400 -6.459 689 3HD1 ILE 12 HMD ILE 12 4.332 -5.280 -7.298 690 H LYS 13 HN LYS 13 7.170 -1.469 -11.617 691 HA LYS 13 HA LYS 13 9.745 -2.098 -12.819 692 1HB LYS 13 HBR LYS 13 7.353 -0.497 -13.474 693 2HB LYS 13 HBS LYS 13 8.895 0.251 -13.974 694 1HG LYS 13 HGR LYS 13 9.351 -1.388 -15.528 695 2HG LYS 13 HGS LYS 13 8.436 -2.640 -14.641 696 1HD LYS 13 HDS LYS 13 6.335 -1.621 -15.309 697 2HD LYS 13 HDR LYS 13 7.190 -0.332 -16.112 698 1HE LYS 13 HES LYS 13 7.405 -3.240 -16.887 699 2HE LYS 13 HER LYS 13 6.343 -2.028 -17.659 700 1HZ LYS 13 HZC LYS 13 8.335 -0.766 -18.177 701 2HZ LYS 13 HZA LYS 13 9.279 -1.936 -17.539 702 3HZ LYS 13 HZB LYS 13 8.373 -2.249 -18.862 703 H ASP 14 HN ASP 14 8.236 0.739 -11.238 704 HA ASP 14 HA ASP 14 10.441 2.282 -10.939 705 1HB ASP 14 HBS ASP 14 8.049 2.811 -10.371 706 2HB ASP 14 HBR ASP 14 8.365 2.061 -8.779 707 H ALA 15 HN ALA 15 9.465 -0.407 -8.870 708 HA ALA 15 HA ALA 15 11.408 -0.361 -6.934 709 1HB ALA 15 HMB ALA 15 9.489 -2.052 -7.460 710 2HB ALA 15 HMB ALA 15 10.770 -2.942 -8.323 711 3HB ALA 15 HMB ALA 15 10.941 -2.599 -6.583 712 H GLY 16 HN GLY 16 11.716 -1.613 -10.244 713 1HA GLY 16 HAR GLY 16 14.026 -1.808 -11.227 714 2HA GLY 16 HAS GLY 16 14.528 -2.450 -9.641 715 H ALA 17 HN ALA 17 11.394 -3.169 -11.076 716 HA ALA 17 HA ALA 17 11.834 -5.952 -11.004 717 1HB ALA 17 HMB ALA 17 9.677 -4.323 -12.375 718 2HB ALA 17 HMB ALA 17 9.607 -6.071 -12.040 719 3HB ALA 17 HMB ALA 17 9.661 -4.908 -10.691 720 H GLU 18 HN GLU 18 11.493 -7.462 -12.794 721 HA GLU 18 HA GLU 18 11.990 -6.371 -15.498 722 1HB GLU 18 HBR GLU 18 13.395 -8.701 -14.190 723 2HB GLU 18 HBS GLU 18 13.162 -8.619 -15.850 724 1HG GLU 18 HGS GLU 18 14.227 -6.106 -14.879 725 2HG GLU 18 HGR GLU 18 15.364 -7.446 -14.560 726 H ARG 19 HN ARG 19 11.045 -9.137 -13.447 727 HA ARG 19 HA ARG 19 8.590 -9.490 -15.067 728 1HB ARG 19 HBR ARG 19 10.765 -11.560 -14.660 729 2HB ARG 19 HBS ARG 19 9.083 -11.968 -15.108 730 1HG ARG 19 HGS ARG 19 10.510 -9.957 -16.790 731 2HG ARG 19 HGR ARG 19 11.033 -11.660 -16.914 732 1HD ARG 19 HDS ARG 19 9.309 -12.110 -18.197 733 2HD ARG 19 HDR ARG 19 8.195 -11.594 -16.902 734 HE ARG 19 HE ARG 19 8.807 -9.224 -17.942 735 1HH1 ARG 19 HH1 ARG 19 8.403 -12.223 -19.750 736 2HH1 ARG 19 HH1 ARG 19 7.639 -11.439 -21.091 737 1HH2 ARG 19 HH2 ARG 19 7.687 -8.253 -19.656 738 2HH2 ARG 19 HH2 ARG 19 7.235 -9.192 -21.041 739 H VAL 20 HN VAL 20 7.237 -9.038 -13.430 740 HA VAL 20 HA VAL 20 7.250 -10.917 -11.129 741 HB VAL 20 HB VAL 20 5.105 -9.546 -10.572 742 1HG1 VAL 20 HMG VAL 20 7.091 -9.624 -9.161 743 2HG1 VAL 20 HMG VAL 20 7.864 -8.364 -10.153 744 3HG1 VAL 20 HMG VAL 20 6.401 -7.983 -9.213 745 1HG2 VAL 20 HMG VAL 20 6.537 -7.688 -12.465 746 2HG2 VAL 20 HMG VAL 20 4.826 -8.176 -12.451 747 3HG2 VAL 20 HMG VAL 20 5.455 -7.101 -11.179 748 H SER 21 HN SER 21 5.907 -12.574 -11.060 749 HA SER 21 HA SER 21 4.186 -13.267 -13.307 750 1HB SER 21 HBS SER 21 5.106 -15.104 -12.166 751 2HB SER 21 HBR SER 21 4.632 -14.465 -10.566 752 HG SER 21 HG SER 21 3.315 -16.006 -12.467 753 H ASP 22 HN ASP 22 1.860 -13.744 -12.870 754 HA ASP 22 HA ASP 22 0.438 -11.509 -11.921 755 1HB ASP 22 HBS ASP 22 -0.765 -14.256 -12.076 756 2HB ASP 22 HBR ASP 22 -1.519 -12.658 -12.352 757 H ASP 23 HN ASP 23 1.703 -14.297 -10.274 758 HA ASP 23 HA ASP 23 0.336 -14.078 -7.872 759 1HB ASP 23 HBS ASP 23 2.788 -15.330 -8.788 760 2HB ASP 23 HBR ASP 23 2.876 -14.798 -7.083 761 H ALA 24 HN ALA 24 3.570 -12.661 -8.476 762 HA ALA 24 HA ALA 24 3.659 -11.223 -6.114 763 1HB ALA 24 HMB ALA 24 5.122 -11.237 -8.661 764 2HB ALA 24 HMB ALA 24 5.172 -9.679 -7.799 765 3HB ALA 24 HMB ALA 24 5.715 -11.167 -6.982 766 H ARG 25 HN ARG 25 2.607 -10.078 -9.332 767 HA ARG 25 HA ARG 25 2.346 -7.341 -8.607 768 1HB ARG 25 HBR ARG 25 0.810 -7.247 -10.628 769 2HB ARG 25 HBS ARG 25 2.492 -7.786 -10.902 770 1HG ARG 25 HGS ARG 25 1.200 -10.169 -10.498 771 2HG ARG 25 HGR ARG 25 -0.061 -9.204 -11.317 772 1HD ARG 25 HDS ARG 25 2.693 -9.934 -12.270 773 2HD ARG 25 HDR ARG 25 1.110 -10.260 -13.032 774 HE ARG 25 HE ARG 25 1.579 -7.440 -12.789 775 1HH1 ARG 25 HH1 ARG 25 2.178 -10.283 -14.786 776 2HH1 ARG 25 HH1 ARG 25 2.656 -9.350 -16.164 777 1HH2 ARG 25 HH2 ARG 25 2.338 -6.258 -14.568 778 2HH2 ARG 25 HH2 ARG 25 2.746 -7.071 -16.041 779 H ILE 26 HN ILE 26 -0.142 -9.888 -9.033 780 HA ILE 26 HA ILE 26 -2.291 -8.479 -8.002 781 HB ILE 26 HB ILE 26 -1.691 -11.473 -7.900 782 1HG1 ILE 26 HG1 ILE 26 -3.321 -9.790 -9.842 783 2HG1 ILE 26 HG1 ILE 26 -1.675 -10.424 -10.128 784 1HG2 ILE 26 HMG ILE 26 -3.802 -10.100 -6.603 785 2HG2 ILE 26 HMG ILE 26 -4.495 -10.941 -8.017 786 3HG2 ILE 26 HMG ILE 26 -3.567 -11.857 -6.800 787 1HD1 ILE 26 HMD ILE 26 -3.035 -12.708 -9.501 788 2HD1 ILE 26 HMD ILE 26 -4.295 -11.759 -10.332 789 3HD1 ILE 26 HMD ILE 26 -2.751 -12.107 -11.156 790 H THR 27 HN THR 27 0.059 -10.505 -6.237 791 HA THR 27 HA THR 27 -1.328 -10.541 -3.852 792 HB THR 27 HB THR 27 0.790 -11.907 -4.633 793 HG1 THR 27 HG1 THR 27 0.446 -10.959 -2.113 794 1HG2 THR 27 HMG THR 27 2.248 -9.692 -4.351 795 2HG2 THR 27 HMG THR 27 2.357 -10.303 -2.680 796 3HG2 THR 27 HMG THR 27 2.884 -11.328 -4.039 797 H LEU 28 HN LEU 28 1.251 -8.270 -4.823 798 HA LEU 28 HA LEU 28 1.202 -6.610 -2.532 799 1HB LEU 28 HBR LEU 28 2.493 -6.809 -4.989 800 2HB LEU 28 HBS LEU 28 1.622 -5.256 -5.085 801 HG LEU 28 HG LEU 28 2.867 -4.283 -3.391 802 1HD1 LEU 28 HMD LEU 28 3.187 -7.042 -2.415 803 2HD1 LEU 28 HMD LEU 28 4.661 -6.048 -2.305 804 3HD1 LEU 28 HMD LEU 28 3.153 -5.497 -1.530 805 1HD2 LEU 28 HMD LEU 28 4.093 -4.699 -5.489 806 2HD2 LEU 28 HMD LEU 28 5.170 -4.638 -4.070 807 3HD2 LEU 28 HMD LEU 28 4.744 -6.208 -4.797 808 H ALA 29 HN ALA 29 -0.773 -6.666 -5.480 809 HA ALA 29 HA ALA 29 -2.194 -4.336 -5.124 810 1HB ALA 29 HMB ALA 29 -2.369 -6.645 -6.746 811 2HB ALA 29 HMB ALA 29 -3.995 -6.354 -6.078 812 3HB ALA 29 HMB ALA 29 -3.156 -5.062 -6.976 813 H LYS 30 HN LYS 30 -2.949 -7.552 -3.776 814 HA LYS 30 HA LYS 30 -5.226 -6.441 -2.321 815 1HB LYS 30 HBR LYS 30 -4.074 -9.234 -2.572 816 2HB LYS 30 HBS LYS 30 -5.464 -8.825 -1.526 817 1HG LYS 30 HGR LYS 30 -6.895 -8.815 -3.258 818 2HG LYS 30 HGS LYS 30 -5.788 -7.844 -4.272 819 1HD LYS 30 HDS LYS 30 -6.053 -9.828 -5.441 820 2HD LYS 30 HDR LYS 30 -4.477 -9.899 -4.702 821 1HE LYS 30 HES LYS 30 -6.219 -11.065 -2.833 822 2HE LYS 30 HER LYS 30 -6.670 -11.704 -4.440 823 1HZ LYS 30 HZA LYS 30 -4.079 -11.905 -4.584 824 2HZ LYS 30 HZB LYS 30 -4.211 -12.030 -2.961 825 3HZ LYS 30 HZC LYS 30 -4.997 -13.084 -3.928 826 H ILE 31 HN ILE 31 -1.908 -7.187 -1.735 827 HA ILE 31 HA ILE 31 -1.907 -7.119 1.148 828 HB ILE 31 HB ILE 31 0.108 -6.443 -1.037 829 1HG1 ILE 31 HG1 ILE 31 0.296 -8.658 1.012 830 2HG1 ILE 31 HG1 ILE 31 -0.723 -8.826 -0.445 831 1HG2 ILE 31 HMG ILE 31 0.275 -5.769 1.809 832 2HG2 ILE 31 HMG ILE 31 1.648 -6.739 1.212 833 3HG2 ILE 31 HMG ILE 31 1.235 -5.196 0.419 834 1HD1 ILE 31 HMD ILE 31 1.390 -8.229 -1.772 835 2HD1 ILE 31 HMD ILE 31 2.276 -8.536 -0.256 836 3HD1 ILE 31 HMD ILE 31 1.321 -9.840 -1.008 837 H LEU 32 HN LEU 32 -0.812 -4.578 -1.096 838 HA LEU 32 HA LEU 32 -0.839 -2.559 0.716 839 1HB LEU 32 HBR LEU 32 -0.462 -2.964 -2.068 840 2HB LEU 32 HBS LEU 32 -1.454 -1.493 -1.875 841 HG LEU 32 HG LEU 32 0.273 -0.496 -0.469 842 1HD1 LEU 32 HMD LEU 32 1.175 -2.569 0.507 843 2HD1 LEU 32 HMD LEU 32 1.846 -3.020 -1.080 844 3HD1 LEU 32 HMD LEU 32 2.455 -1.576 -0.233 845 1HD2 LEU 32 HMD LEU 32 0.600 -1.370 -3.247 846 2HD2 LEU 32 HMD LEU 32 0.815 0.240 -2.516 847 3HD2 LEU 32 HMD LEU 32 2.139 -0.951 -2.455 848 H GLU 33 HN GLU 33 -3.568 -3.675 -1.206 849 HA GLU 33 HA GLU 33 -5.475 -1.727 -0.529 850 1HB GLU 33 HBR GLU 33 -5.354 -4.260 -1.723 851 2HB GLU 33 HBS GLU 33 -6.320 -4.500 -0.373 852 1HG GLU 33 HGS GLU 33 -7.815 -4.020 -2.130 853 2HG GLU 33 HGR GLU 33 -7.881 -2.626 -1.019 854 H GLU 34 HN GLU 34 -4.675 -4.771 1.197 855 HA GLU 34 HA GLU 34 -6.710 -4.517 3.144 856 1HB GLU 34 HBR GLU 34 -4.899 -6.383 2.325 857 2HB GLU 34 HBS GLU 34 -4.146 -5.844 3.723 858 1HG GLU 34 HGS GLU 34 -5.373 -7.045 5.066 859 2HG GLU 34 HGR GLU 34 -6.880 -6.271 4.507 860 H MET 35 HN MET 35 -3.388 -3.333 3.005 861 HA MET 35 HA MET 35 -3.309 -2.122 5.618 862 1HB MET 35 HBS MET 35 -1.467 -2.461 3.689 863 2HB MET 35 HBR MET 35 -1.982 -0.799 3.305 864 1HG MET 35 HGS MET 35 -0.231 -0.463 4.860 865 2HG MET 35 HGR MET 35 -1.708 -0.332 5.842 866 1HE MET 35 HME MET 35 1.336 -1.833 4.902 867 2HE MET 35 HME MET 35 1.815 -2.152 6.588 868 3HE MET 35 HME MET 35 1.441 -3.510 5.497 869 H GLY 36 HN GLY 36 -4.334 -1.036 2.375 870 1HA GLY 36 HAR GLY 36 -4.815 1.605 2.977 871 2HA GLY 36 HAS GLY 36 -5.670 0.713 1.688 872 H ARG 37 HN ARG 37 -7.105 -1.127 3.204 873 HA ARG 37 HA ARG 37 -9.344 0.327 4.203 874 1HB ARG 37 HBR ARG 37 -8.806 -2.314 3.565 875 2HB ARG 37 HBS ARG 37 -9.004 -2.350 5.342 876 1HG ARG 37 HGS ARG 37 -11.219 -1.588 5.230 877 2HG ARG 37 HGR ARG 37 -11.027 -0.994 3.555 878 1HD ARG 37 HDS ARG 37 -12.353 -3.106 3.840 879 2HD ARG 37 HDR ARG 37 -10.995 -3.176 2.682 880 HE ARG 37 HE ARG 37 -10.498 -4.113 5.434 881 1HH1 ARG 37 HH1 ARG 37 -11.398 -5.002 2.142 882 2HH1 ARG 37 HH1 ARG 37 -10.714 -6.589 2.268 883 1HH2 ARG 37 HH2 ARG 37 -9.501 -6.147 5.516 884 2HH2 ARG 37 HH2 ARG 37 -9.643 -7.238 4.177 885 H ASP 38 HN ASP 38 -6.623 -1.335 5.813 886 HA ASP 38 HA ASP 38 -7.457 -0.828 8.410 887 1HB ASP 38 HBS ASP 38 -5.568 -2.343 7.425 888 2HB ASP 38 HBR ASP 38 -4.532 -0.948 7.846 889 H ILE 39 HN ILE 39 -5.208 1.110 6.427 890 HA ILE 39 HA ILE 39 -4.583 2.947 8.584 891 HB ILE 39 HB ILE 39 -4.261 3.519 5.610 892 1HG1 ILE 39 HG1 ILE 39 -2.035 2.154 7.076 893 2HG1 ILE 39 HG1 ILE 39 -3.412 1.153 6.539 894 1HG2 ILE 39 HMG ILE 39 -3.758 5.284 7.319 895 2HG2 ILE 39 HMG ILE 39 -2.435 4.240 7.905 896 3HG2 ILE 39 HMG ILE 39 -2.409 4.859 6.232 897 1HD1 ILE 39 HMD ILE 39 -1.987 3.019 4.651 898 2HD1 ILE 39 HMD ILE 39 -1.377 1.375 4.986 899 3HD1 ILE 39 HMD ILE 39 -3.000 1.598 4.278 900 H ALA 40 HN ALA 40 -7.137 2.538 6.296 901 HA ALA 40 HA ALA 40 -8.006 5.308 6.105 902 1HB ALA 40 HMB ALA 40 -8.568 3.580 4.427 903 2HB ALA 40 HMB ALA 40 -9.546 2.738 5.656 904 3HB ALA 40 HMB ALA 40 -10.000 4.378 5.126 905 H SER 41 HN SER 41 -9.790 2.536 7.469 906 HA SER 41 HA SER 41 -11.435 4.147 9.014 907 1HB SER 41 HBS SER 41 -11.347 1.484 8.386 908 2HB SER 41 HBR SER 41 -11.058 1.463 10.149 909 HG SER 41 HG SER 41 -12.972 2.044 10.596 910 H GLU 42 HN GLU 42 -8.220 3.116 9.674 911 HA GLU 42 HA GLU 42 -8.330 3.736 12.503 912 1HB GLU 42 HBR GLU 42 -6.241 3.080 10.448 913 2HB GLU 42 HBS GLU 42 -5.775 3.784 11.899 914 1HG GLU 42 HGS GLU 42 -5.804 1.194 11.741 915 2HG GLU 42 HGR GLU 42 -6.285 1.967 13.277 916 H ALA 43 HN ALA 43 -7.126 5.360 9.557 917 HA ALA 43 HA ALA 43 -6.372 7.828 10.895 918 1HB ALA 43 HMB ALA 43 -6.925 7.070 8.020 919 2HB ALA 43 HMB ALA 43 -6.497 8.719 8.541 920 3HB ALA 43 HMB ALA 43 -5.356 7.377 8.806 921 H ILE 44 HN ILE 44 -9.296 6.268 10.010 922 HA ILE 44 HA ILE 44 -10.849 8.730 10.036 923 HB ILE 44 HB ILE 44 -11.580 5.775 9.779 924 1HG1 ILE 44 HG1 ILE 44 -11.713 7.968 7.686 925 2HG1 ILE 44 HG1 ILE 44 -10.253 6.979 7.971 926 1HG2 ILE 44 HMG ILE 44 -13.399 8.184 9.582 927 2HG2 ILE 44 HMG ILE 44 -13.814 6.543 9.022 928 3HG2 ILE 44 HMG ILE 44 -13.496 6.840 10.751 929 1HD1 ILE 44 HMD ILE 44 -12.957 5.796 7.294 930 2HD1 ILE 44 HMD ILE 44 -11.739 6.236 6.067 931 3HD1 ILE 44 HMD ILE 44 -11.367 4.989 7.287 932 H LYS 45 HN LYS 45 -10.855 5.723 11.994 933 HA LYS 45 HA LYS 45 -12.312 6.732 14.196 934 1HB LYS 45 HBR LYS 45 -10.259 4.546 13.881 935 2HB LYS 45 HBS LYS 45 -10.876 5.004 15.494 936 1HG LYS 45 HGR LYS 45 -13.202 4.730 14.037 937 2HG LYS 45 HGS LYS 45 -12.161 3.461 13.331 938 1HD LYS 45 HDS LYS 45 -11.671 2.973 15.896 939 2HD LYS 45 HDR LYS 45 -13.220 3.745 16.092 940 1HE LYS 45 HES LYS 45 -13.260 1.774 13.951 941 2HE LYS 45 HER LYS 45 -12.794 1.097 15.537 942 1HZ LYS 45 HZB LYS 45 -15.073 2.886 15.415 943 2HZ LYS 45 HZC LYS 45 -15.268 1.362 14.861 944 3HZ LYS 45 HZA LYS 45 -14.797 1.616 16.404 945 H LEU 46 HN LEU 46 -9.067 7.305 13.113 946 HA LEU 46 HA LEU 46 -8.044 8.498 15.540 947 1HB LEU 46 HBR LEU 46 -7.343 8.352 12.641 948 2HB LEU 46 HBS LEU 46 -6.640 9.679 13.610 949 HG LEU 46 HG LEU 46 -6.397 6.856 14.583 950 1HD1 LEU 46 HMD LEU 46 -5.122 8.043 12.170 951 2HD1 LEU 46 HMD LEU 46 -4.052 7.179 13.304 952 3HD1 LEU 46 HMD LEU 46 -5.448 6.340 12.581 953 1HD2 LEU 46 HMD LEU 46 -5.757 8.847 15.929 954 2HD2 LEU 46 HMD LEU 46 -4.383 7.770 15.570 955 3HD2 LEU 46 HMD LEU 46 -4.585 9.290 14.662 956 H ALA 47 HN ALA 47 -9.206 9.949 12.471 957 HA ALA 47 HA ALA 47 -9.083 12.578 13.413 958 1HB ALA 47 HMB ALA 47 -10.084 11.170 11.057 959 2HB ALA 47 HMB ALA 47 -11.019 12.637 11.444 960 3HB ALA 47 HMB ALA 47 -9.257 12.742 11.202 961 H ARG 48 HN ARG 48 -11.609 10.171 13.702 962 HA ARG 48 HA ARG 48 -13.727 12.105 14.300 963 1HB ARG 48 HBR ARG 48 -14.286 10.044 13.120 964 2HB ARG 48 HBS ARG 48 -13.669 9.075 14.489 965 1HG ARG 48 HGS ARG 48 -15.830 9.019 15.114 966 2HG ARG 48 HGR ARG 48 -15.494 10.653 15.755 967 1HD ARG 48 HDS ARG 48 -16.098 11.402 13.333 968 2HD ARG 48 HDR ARG 48 -16.922 9.818 13.266 969 HE ARG 48 HE ARG 48 -17.940 12.126 14.488 970 1HH1 ARG 48 HH1 ARG 48 -17.620 8.666 15.079 971 2HH1 ARG 48 HH1 ARG 48 -18.873 8.643 16.274 972 1HH2 ARG 48 HH2 ARG 48 -19.483 12.081 16.148 973 2HH2 ARG 48 HH2 ARG 48 -19.930 10.575 16.878 974 H HIS 49 HN HIS 49 -11.668 9.756 16.002 975 HA HIS 49 HA HIS 49 -12.605 10.238 18.633 976 1HB HIS 49 HBS HIS 49 -10.908 8.438 17.873 977 2HB HIS 49 HBR HIS 49 -9.681 9.731 18.006 978 HD1 HIS 49 HD1 HIS 49 -12.563 9.449 20.479 979 HD2 HIS 49 HD2 HIS 49 -8.495 8.592 20.239 980 HE1 HIS 49 HE1 HIS 49 -11.850 8.753 22.779 981 HE2 HIS 49 HE2 HIS 49 -9.393 8.212 22.635 982 H ALA 50 HN ALA 50 -10.278 11.940 16.573 983 HA ALA 50 HA ALA 50 -9.587 14.033 18.396 984 1HB ALA 50 HMB ALA 50 -9.452 13.515 15.500 985 2HB ALA 50 HMB ALA 50 -9.622 15.230 15.951 986 3HB ALA 50 HMB ALA 50 -8.271 14.268 16.601 987 H GLY 51 HN GLY 51 -12.237 13.600 16.044 988 1HA GLY 51 HAR GLY 51 -14.299 14.666 15.866 989 2HA GLY 51 HAS GLY 51 -13.960 15.539 17.384 990 H ARG 52 HN ARG 52 -12.312 15.305 14.204 991 HA ARG 52 HA ARG 52 -12.210 18.285 14.129 992 1HB ARG 52 HBR ARG 52 -10.020 16.249 13.650 993 2HB ARG 52 HBS ARG 52 -9.928 17.940 13.083 994 1HG ARG 52 HGS ARG 52 -10.629 17.794 15.904 995 2HG ARG 52 HGR ARG 52 -9.101 16.935 15.559 996 1HD ARG 52 HDS ARG 52 -8.167 18.941 15.719 997 2HD ARG 52 HDR ARG 52 -8.818 19.200 14.076 998 HE ARG 52 HE ARG 52 -10.856 19.934 15.818 999 1HH1 ARG 52 HH1 ARG 52 -7.628 21.023 14.910 1000 2HH1 ARG 52 HH1 ARG 52 -7.882 22.626 15.515 1001 1HH2 ARG 52 HH2 ARG 52 -11.104 22.001 16.713 1002 2HH2 ARG 52 HH2 ARG 52 -9.848 23.181 16.533 1003 H LYS 53 HN LYS 53 -13.863 16.095 12.763 1004 HA LYS 53 HA LYS 53 -14.999 16.036 10.776 1005 1HB LYS 53 HBR LYS 53 -13.404 18.532 10.106 1006 2HB LYS 53 HBS LYS 53 -14.861 17.931 9.265 1007 1HG LYS 53 HGR LYS 53 -16.286 18.599 10.956 1008 2HG LYS 53 HGS LYS 53 -15.018 18.501 12.212 1009 1HD LYS 53 HDS LYS 53 -15.335 20.757 12.033 1010 2HD LYS 53 HDR LYS 53 -13.921 20.456 11.061 1011 1HE LYS 53 HES LYS 53 -15.050 20.742 9.038 1012 2HE LYS 53 HER LYS 53 -16.645 20.559 9.823 1013 1HZ LYS 53 HZA LYS 53 -15.015 22.721 10.783 1014 2HZ LYS 53 HZB LYS 53 -15.552 22.887 9.248 1015 3HZ LYS 53 HZC LYS 53 -16.618 22.675 10.468 1016 H THR 54 HN THR 54 -11.982 17.528 9.594 1017 HA THR 54 HA THR 54 -12.016 15.627 7.393 1018 HB THR 54 HB THR 54 -9.951 17.845 7.766 1019 HG1 THR 54 HG1 THR 54 -11.370 18.912 8.061 1020 1HG2 THR 54 HMG THR 54 -11.334 16.758 5.298 1021 2HG2 THR 54 HMG THR 54 -10.113 18.055 5.334 1022 3HG2 THR 54 HMG THR 54 -9.666 16.398 5.815 1023 H ILE 55 HN ILE 55 -10.524 14.141 6.866 1024 HA ILE 55 HA ILE 55 -8.390 13.534 8.837 1025 HB ILE 55 HB ILE 55 -9.517 11.935 6.488 1026 1HG1 ILE 55 HG1 ILE 55 -9.636 10.719 9.147 1027 2HG1 ILE 55 HG1 ILE 55 -10.459 12.303 9.096 1028 1HG2 ILE 55 HMG ILE 55 -6.960 11.706 7.739 1029 2HG2 ILE 55 HMG ILE 55 -7.948 10.283 8.169 1030 3HG2 ILE 55 HMG ILE 55 -7.686 10.702 6.455 1031 1HD1 ILE 55 HMD ILE 55 -11.128 10.627 6.801 1032 2HD1 ILE 55 HMD ILE 55 -11.534 9.856 8.357 1033 3HD1 ILE 55 HMD ILE 55 -12.190 11.468 7.963 1034 H LYS 56 HN LYS 56 -6.279 13.667 8.333 1035 HA LYS 56 HA LYS 56 -5.629 15.044 5.767 1036 1HB LYS 56 HBR LYS 56 -5.414 15.938 8.488 1037 2HB LYS 56 HBS LYS 56 -3.776 15.760 7.795 1038 1HG LYS 56 HGR LYS 56 -4.243 17.934 7.195 1039 2HG LYS 56 HGS LYS 56 -4.858 17.068 5.757 1040 1HD LYS 56 HDS LYS 56 -6.625 18.406 6.114 1041 2HD LYS 56 HDR LYS 56 -7.089 17.024 7.068 1042 1HE LYS 56 HES LYS 56 -5.743 19.475 8.196 1043 2HE LYS 56 HER LYS 56 -7.501 19.158 8.197 1044 1HZ LYS 56 HZC LYS 56 -7.016 17.140 9.449 1045 2HZ LYS 56 HZA LYS 56 -5.435 17.543 9.525 1046 3HZ LYS 56 HZB LYS 56 -6.553 18.485 10.253 1047 H ALA 57 HN ALA 57 -3.144 15.146 5.524 1048 HA ALA 57 HA ALA 57 -2.043 12.574 5.251 1049 1HB ALA 57 HMB ALA 57 -0.650 15.255 5.491 1050 2HB ALA 57 HMB ALA 57 0.084 13.745 4.894 1051 3HB ALA 57 HMB ALA 57 -1.260 14.497 3.998 1052 H GLU 58 HN GLU 58 -2.380 14.578 8.025 1053 HA GLU 58 HA GLU 58 -0.169 13.461 9.585 1054 1HB GLU 58 HBR GLU 58 -1.616 15.704 9.720 1055 2HB GLU 58 HBS GLU 58 -2.651 14.721 10.602 1056 1HG GLU 58 HGS GLU 58 -1.360 15.771 12.241 1057 2HG GLU 58 HGR GLU 58 -0.782 14.083 12.216 1058 H ASP 59 HN ASP 59 -3.452 12.673 8.724 1059 HA ASP 59 HA ASP 59 -3.752 10.857 10.975 1060 1HB ASP 59 HBS ASP 59 -5.515 12.260 9.154 1061 2HB ASP 59 HBR ASP 59 -5.985 10.550 9.377 1062 H ILE 60 HN ILE 60 -3.187 10.678 7.516 1063 HA ILE 60 HA ILE 60 -3.060 7.758 7.453 1064 HB ILE 60 HB ILE 60 -2.249 10.026 5.606 1065 1HG1 ILE 60 HG1 ILE 60 -3.765 8.950 4.070 1066 2HG1 ILE 60 HG1 ILE 60 -3.933 7.540 5.153 1067 1HG2 ILE 60 HMG ILE 60 -0.450 8.119 5.700 1068 2HG2 ILE 60 HMG ILE 60 -1.663 7.225 4.747 1069 3HG2 ILE 60 HMG ILE 60 -1.024 8.777 4.144 1070 1HD1 ILE 60 HMD ILE 60 -5.004 8.996 6.841 1071 2HD1 ILE 60 HMD ILE 60 -4.894 10.366 5.704 1072 3HD1 ILE 60 HMD ILE 60 -5.904 8.952 5.302 1073 H GLU 61 HN GLU 61 -0.924 10.535 8.057 1074 HA GLU 61 HA GLU 61 1.471 9.142 8.475 1075 1HB GLU 61 HBR GLU 61 0.243 11.702 9.381 1076 2HB GLU 61 HBS GLU 61 1.513 11.117 10.307 1077 1HG GLU 61 HGS GLU 61 2.721 10.743 7.987 1078 2HG GLU 61 HGR GLU 61 1.700 12.116 7.480 1079 H LEU 62 HN LEU 62 -1.002 10.097 10.894 1080 HA LEU 62 HA LEU 62 0.139 8.656 13.007 1081 1HB LEU 62 HBR LEU 62 -2.237 10.214 12.404 1082 2HB LEU 62 HBS LEU 62 -2.605 8.863 13.516 1083 HG LEU 62 HG LEU 62 -2.120 11.003 14.660 1084 1HD1 LEU 62 HMD LEU 62 -1.542 8.610 15.525 1085 2HD1 LEU 62 HMD LEU 62 0.145 9.116 15.263 1086 3HD1 LEU 62 HMD LEU 62 -0.897 10.033 16.380 1087 1HD2 LEU 62 HMD LEU 62 0.468 10.616 13.167 1088 2HD2 LEU 62 HMD LEU 62 -0.550 12.072 13.309 1089 3HD2 LEU 62 HMD LEU 62 0.424 11.528 14.698 1090 H ALA 63 HN ALA 63 -2.722 7.784 11.027 1091 HA ALA 63 HA ALA 63 -3.189 5.296 12.091 1092 1HB ALA 63 HMB ALA 63 -3.629 6.463 9.356 1093 2HB ALA 63 HMB ALA 63 -4.084 4.778 9.716 1094 3HB ALA 63 HMB ALA 63 -4.806 6.115 10.648 1095 H VAL 64 HN VAL 64 -1.319 5.928 9.094 1096 HA VAL 64 HA VAL 64 -0.722 3.215 8.713 1097 HB VAL 64 HB VAL 64 -0.642 5.505 7.283 1098 1HG1 VAL 64 HMG VAL 64 2.195 4.963 7.980 1099 2HG1 VAL 64 HMG VAL 64 1.830 5.282 6.267 1100 3HG1 VAL 64 HMG VAL 64 1.372 6.470 7.511 1101 1HG2 VAL 64 HMG VAL 64 -0.345 2.720 6.825 1102 2HG2 VAL 64 HMG VAL 64 -0.912 3.998 5.724 1103 3HG2 VAL 64 HMG VAL 64 0.815 3.570 5.777 1104 H ARG 65 HN ARG 65 1.494 5.813 9.794 1105 HA ARG 65 HA ARG 65 3.589 4.243 10.584 1106 1HB ARG 65 HBR ARG 65 3.674 6.677 10.558 1107 2HB ARG 65 HBS ARG 65 2.601 6.749 11.985 1108 1HG ARG 65 HGS ARG 65 4.296 6.413 13.410 1109 2HG ARG 65 HGR ARG 65 4.992 5.103 12.415 1110 1HD ARG 65 HDS ARG 65 6.227 6.568 11.125 1111 2HD ARG 65 HDR ARG 65 5.218 7.971 11.575 1112 HE ARG 65 HE ARG 65 6.271 7.381 13.949 1113 1HH1 ARG 65 HH1 ARG 65 7.918 7.114 10.844 1114 2HH1 ARG 65 HH1 ARG 65 9.440 7.638 11.484 1115 1HH2 ARG 65 HH2 ARG 65 8.243 8.191 14.720 1116 2HH2 ARG 65 HH2 ARG 65 9.624 8.251 13.675 1117 H ARG 66 HN ARG 66 0.649 4.956 12.433 1118 HA ARG 66 HA ARG 66 1.524 4.104 14.938 1119 1HB ARG 66 HBR ARG 66 -0.545 5.347 14.621 1120 2HB ARG 66 HBS ARG 66 -1.280 3.950 13.782 1121 1HG ARG 66 HGS ARG 66 -2.070 4.175 16.103 1122 2HG ARG 66 HGR ARG 66 -1.197 2.641 15.834 1123 1HD ARG 66 HDS ARG 66 0.830 4.255 16.600 1124 2HD ARG 66 HDR ARG 66 -0.530 4.959 17.520 1125 HE ARG 66 HE ARG 66 0.062 2.047 17.648 1126 1HH1 ARG 66 HH1 ARG 66 -0.024 5.196 19.231 1127 2HH1 ARG 66 HH1 ARG 66 -0.105 4.516 20.822 1128 1HH2 ARG 66 HH2 ARG 66 -0.171 1.195 19.737 1129 2HH2 ARG 66 HH2 ARG 66 -0.184 2.252 21.108 1130 H PHE 67 HN PHE 67 -0.108 2.228 12.375 1131 HA PHE 67 HA PHE 67 0.041 -0.306 13.605 1132 1HB PHE 67 HBR PHE 67 0.587 -0.146 10.656 1133 2HB PHE 67 HBS PHE 67 -0.465 -1.257 11.581 1134 HD1 PHE 67 HD1 PHE 67 -2.224 0.273 13.019 1135 HD2 PHE 67 HD2 PHE 67 -0.749 1.110 9.111 1136 HE1 PHE 67 HE1 PHE 67 -4.165 1.718 12.618 1137 HE2 PHE 67 HE2 PHE 67 -2.678 2.602 8.696 1138 HZ PHE 67 HZ PHE 67 -4.360 2.939 10.483 1139 H LYS 68 HN LYS 68 2.307 1.118 11.216 1140 HA LYS 68 HA LYS 68 4.160 -1.087 11.669 1141 1HB LYS 68 HBR LYS 68 5.538 0.274 9.962 1142 2HB LYS 68 HBS LYS 68 4.034 -0.529 9.429 1143 1HG LYS 68 HGR LYS 68 2.837 1.545 9.397 1144 2HG LYS 68 HGS LYS 68 4.169 2.399 10.228 1145 1HD LYS 68 HDS LYS 68 4.729 1.086 7.609 1146 2HD LYS 68 HDR LYS 68 3.760 2.535 7.617 1147 1HE LYS 68 HES LYS 68 5.450 3.878 8.420 1148 2HE LYS 68 HER LYS 68 6.329 2.494 9.128 1149 1HZ LYS 68 HZA LYS 68 5.983 2.520 6.261 1150 2HZ LYS 68 HZB LYS 68 7.041 3.597 6.883 1151 3HZ LYS 68 HZC LYS 68 7.245 2.000 7.157 1152 H LYS 69 HN LYS 69 5.040 -0.869 13.674 1153 HA LYS 69 HA LYS 69 7.389 0.664 13.796 1154 1HB LYS 69 HBR LYS 69 5.911 2.567 14.294 1155 2HB LYS 69 HBS LYS 69 5.236 1.671 15.685 1156 1HG LYS 69 HGR LYS 69 6.958 3.385 16.303 1157 2HG LYS 69 HGS LYS 69 7.353 1.726 16.835 1158 1HD LYS 69 HDS LYS 69 9.304 2.893 15.964 1159 2HD LYS 69 HDR LYS 69 8.916 1.426 15.110 1160 1HE LYS 69 HES LYS 69 9.550 3.059 13.501 1161 2HE LYS 69 HER LYS 69 7.796 2.748 13.353 1162 1HZ LYS 69 HZA LYS 69 8.757 4.942 15.015 1163 2HZ LYS 69 HZB LYS 69 8.652 5.138 13.397 1164 3HZ LYS 69 HZC LYS 69 7.317 4.770 14.264 No H/Q in entry = 1164 Start of MODEL 7 Raw file had 1198 H/Q atoms Start of MODEL 7 1 1H MET 1 HNB MET 1 2.539 4.469 -6.411 2 2H MET 1 HN MET 1 4.025 4.369 -7.081 3 3H MET 1 HNC MET 1 3.657 5.619 -6.096 4 HA MET 1 HA MET 1 2.500 6.749 -7.590 5 1HB MET 1 HBS MET 1 4.880 6.230 -8.398 6 2HB MET 1 HBR MET 1 4.122 5.053 -9.500 7 1HG MET 1 HGS MET 1 4.264 7.003 -10.824 8 2HG MET 1 HGR MET 1 2.587 7.010 -10.232 9 1HE MET 1 HME MET 1 1.761 8.848 -10.077 10 2HE MET 1 HME MET 1 1.908 9.821 -8.590 11 3HE MET 1 HME MET 1 2.614 10.412 -10.115 12 H GLU 2 HN GLU 2 1.019 6.827 -9.367 13 HA GLU 2 HA GLU 2 -0.649 6.128 -10.780 14 1HB GLU 2 HBR GLU 2 1.357 4.587 -11.461 15 2HB GLU 2 HBS GLU 2 0.568 3.417 -10.554 16 1HG GLU 2 HGS GLU 2 -0.395 2.820 -12.468 17 2HG GLU 2 HGR GLU 2 -1.597 4.066 -12.038 18 H LEU 3 HN LEU 3 -0.507 5.698 -7.713 19 HA LEU 3 HA LEU 3 -3.178 4.387 -7.655 20 1HB LEU 3 HBS LEU 3 -2.031 5.535 -5.185 21 2HB LEU 3 HBR LEU 3 -2.841 3.972 -5.469 22 HG LEU 3 HG LEU 3 0.080 4.652 -5.863 23 1HD1 LEU 3 HMD LEU 3 -0.659 4.158 -3.568 24 2HD1 LEU 3 HMD LEU 3 -1.372 2.626 -4.131 25 3HD1 LEU 3 HMD LEU 3 0.391 2.873 -4.218 26 1HD2 LEU 3 HMD LEU 3 -1.636 2.415 -6.885 27 2HD2 LEU 3 HMD LEU 3 -0.265 3.253 -7.656 28 3HD2 LEU 3 HMD LEU 3 0.030 2.060 -6.365 29 HA PRO 4 HA PRO 4 -4.466 8.676 -8.219 30 1HB PRO 4 HBR PRO 4 -6.708 7.880 -9.495 31 2HB PRO 4 HBS PRO 4 -5.366 8.494 -10.214 32 1HG PRO 4 HGR PRO 4 -6.247 5.857 -10.210 33 2HG PRO 4 HGS PRO 4 -5.100 6.580 -11.183 34 1HD PRO 4 HDR PRO 4 -4.604 4.893 -9.125 35 2HD PRO 4 HDS PRO 4 -3.479 5.786 -9.944 36 H ILE 5 HN ILE 5 -5.856 9.942 -7.146 37 HA ILE 5 HA ILE 5 -6.480 8.874 -4.625 38 HB ILE 5 HB ILE 5 -7.659 11.110 -4.276 39 1HG1 ILE 5 HG1 ILE 5 -7.199 12.817 -6.135 40 2HG1 ILE 5 HG1 ILE 5 -6.892 11.413 -7.197 41 1HG2 ILE 5 HMG ILE 5 -5.043 10.538 -4.211 42 2HG2 ILE 5 HMG ILE 5 -5.031 11.820 -5.452 43 3HG2 ILE 5 HMG ILE 5 -5.706 12.150 -3.835 44 1HD1 ILE 5 HMD ILE 5 -9.419 11.245 -5.705 45 2HD1 ILE 5 HMD ILE 5 -9.320 12.634 -6.821 46 3HD1 ILE 5 HMD ILE 5 -9.077 10.976 -7.435 47 H ALA 6 HN ALA 6 -8.245 8.713 -7.531 48 HA ALA 6 HA ALA 6 -10.857 8.478 -6.373 49 1HB ALA 6 HMB ALA 6 -9.599 8.210 -9.020 50 2HB ALA 6 HMB ALA 6 -10.995 7.136 -8.753 51 3HB ALA 6 HMB ALA 6 -11.175 8.897 -8.552 52 HA PRO 7 HA PRO 7 -9.974 3.751 -6.866 53 1HB PRO 7 HBR PRO 7 -7.320 3.202 -7.082 54 2HB PRO 7 HBS PRO 7 -8.453 2.982 -8.249 55 1HG PRO 7 HGR PRO 7 -6.535 5.002 -8.073 56 2HG PRO 7 HGS PRO 7 -7.411 4.492 -9.399 57 1HD PRO 7 HDS PRO 7 -7.856 6.770 -8.088 58 2HD PRO 7 HDR PRO 7 -8.955 6.029 -9.077 59 H ILE 8 HN ILE 8 -7.260 5.322 -5.365 60 HA ILE 8 HA ILE 8 -7.374 3.849 -2.905 61 HB ILE 8 HB ILE 8 -6.341 6.649 -3.573 62 1HG1 ILE 8 HG1 ILE 8 -5.019 3.923 -3.374 63 2HG1 ILE 8 HG1 ILE 8 -5.167 4.978 -4.808 64 1HG2 ILE 8 HMG ILE 8 -6.941 6.091 -1.094 65 2HG2 ILE 8 HMG ILE 8 -5.441 5.129 -1.156 66 3HG2 ILE 8 HMG ILE 8 -5.392 6.879 -1.496 67 1HD1 ILE 8 HMD ILE 8 -3.714 6.065 -2.442 68 2HD1 ILE 8 HMD ILE 8 -2.916 4.784 -3.393 69 3HD1 ILE 8 HMD ILE 8 -3.421 6.300 -4.185 70 H GLY 9 HN GLY 9 -8.866 6.869 -4.067 71 1HA GLY 9 HAS GLY 9 -10.383 7.542 -1.852 72 2HA GLY 9 HAR GLY 9 -10.891 7.845 -3.535 73 H ARG 10 HN ARG 10 -10.745 4.830 -3.994 74 HA ARG 10 HA ARG 10 -13.435 4.228 -3.044 75 1HB ARG 10 HBS ARG 10 -12.710 3.833 -5.393 76 2HB ARG 10 HBR ARG 10 -11.591 2.572 -4.797 77 1HG ARG 10 HGS ARG 10 -13.393 1.302 -5.461 78 2HG ARG 10 HGR ARG 10 -13.768 1.560 -3.733 79 1HD ARG 10 HDS ARG 10 -15.769 1.994 -4.807 80 2HD ARG 10 HDR ARG 10 -15.069 3.614 -4.532 81 HE ARG 10 HE ARG 10 -15.230 3.891 -6.800 82 1HH1 ARG 10 HH1 ARG 10 -14.878 0.438 -6.185 83 2HH1 ARG 10 HH1 ARG 10 -14.708 0.045 -7.864 84 1HH2 ARG 10 HH2 ARG 10 -14.876 3.354 -8.974 85 2HH2 ARG 10 HH2 ARG 10 -14.711 1.696 -9.442 86 H ILE 11 HN ILE 11 -10.138 3.234 -2.398 87 HA ILE 11 HA ILE 11 -10.683 1.027 -0.653 88 HB ILE 11 HB ILE 11 -8.435 3.097 -0.706 89 1HG1 ILE 11 HG1 ILE 11 -8.844 1.548 -2.695 90 2HG1 ILE 11 HG1 ILE 11 -7.198 1.589 -2.004 91 1HG2 ILE 11 HMG ILE 11 -8.954 1.682 1.494 92 2HG2 ILE 11 HMG ILE 11 -8.003 0.466 0.601 93 3HG2 ILE 11 HMG ILE 11 -7.299 2.067 0.950 94 1HD1 ILE 11 HMD ILE 11 -9.114 -0.517 -1.069 95 2HD1 ILE 11 HMD ILE 11 -8.336 -0.686 -2.665 96 3HD1 ILE 11 HMD ILE 11 -7.335 -0.557 -1.194 97 H ILE 12 HN ILE 12 -10.197 4.524 -0.028 98 HA ILE 12 HA ILE 12 -10.544 4.159 2.759 99 HB ILE 12 HB ILE 12 -10.685 6.827 1.284 100 1HG1 ILE 12 HG1 ILE 12 -8.861 5.742 0.248 101 2HG1 ILE 12 HG1 ILE 12 -8.159 6.838 1.470 102 1HG2 ILE 12 HMG ILE 12 -10.380 6.032 4.058 103 2HG2 ILE 12 HMG ILE 12 -9.045 7.079 3.508 104 3HG2 ILE 12 HMG ILE 12 -10.735 7.629 3.345 105 1HD1 ILE 12 HMD ILE 12 -8.571 3.862 1.879 106 2HD1 ILE 12 HMD ILE 12 -7.047 4.613 1.332 107 3HD1 ILE 12 HMD ILE 12 -7.701 4.997 2.947 108 H LYS 13 HN LYS 13 -12.718 5.223 0.196 109 HA LYS 13 HA LYS 13 -14.889 6.072 1.901 110 1HB LYS 13 HBS LYS 13 -14.447 6.346 -0.724 111 2HB LYS 13 HBR LYS 13 -15.433 4.856 -0.769 112 1HG LYS 13 HGR LYS 13 -17.216 6.028 0.498 113 2HG LYS 13 HGS LYS 13 -16.236 7.522 0.464 114 1HD LYS 13 HDS LYS 13 -16.766 6.228 -2.147 115 2HD LYS 13 HDR LYS 13 -18.152 6.881 -1.318 116 1HE LYS 13 HES LYS 13 -15.856 8.697 -1.321 117 2HE LYS 13 HER LYS 13 -16.494 8.287 -2.939 118 1HZ LYS 13 HZC LYS 13 -18.697 8.758 -1.492 119 2HZ LYS 13 HZA LYS 13 -17.663 9.866 -0.882 120 3HZ LYS 13 HZB LYS 13 -17.979 9.839 -2.484 121 H ASP 14 HN ASP 14 -13.980 3.027 0.271 122 HA ASP 14 HA ASP 14 -16.025 1.469 1.126 123 1HB ASP 14 HBS ASP 14 -14.259 0.815 -0.463 124 2HB ASP 14 HBR ASP 14 -13.166 0.538 0.925 125 H ALA 15 HN ALA 15 -13.126 2.321 2.954 126 HA ALA 15 HA ALA 15 -13.695 1.115 5.404 127 1HB ALA 15 HMB ALA 15 -11.909 2.999 4.442 128 2HB ALA 15 HMB ALA 15 -12.845 3.893 5.668 129 3HB ALA 15 HMB ALA 15 -12.006 2.384 6.112 130 H GLY 16 HN GLY 16 -14.966 4.157 4.056 131 1HA GLY 16 HAR GLY 16 -17.258 4.757 4.841 132 2HA GLY 16 HAS GLY 16 -16.660 4.498 6.502 133 H ALA 17 HN ALA 17 -14.504 5.891 4.155 134 HA ALA 17 HA ALA 17 -14.276 8.351 5.531 135 1HB ALA 17 HMB ALA 17 -12.586 7.138 4.057 136 2HB ALA 17 HMB ALA 17 -13.434 7.871 2.672 137 3HB ALA 17 HMB ALA 17 -12.678 8.911 3.907 138 H GLU 18 HN GLU 18 -14.871 10.426 5.009 139 HA GLU 18 HA GLU 18 -15.962 11.187 2.532 140 1HB GLU 18 HBS GLU 18 -18.180 11.617 3.034 141 2HB GLU 18 HBR GLU 18 -17.924 9.972 3.248 142 1HG GLU 18 HGS GLU 18 -18.776 10.121 5.345 143 2HG GLU 18 HGR GLU 18 -17.522 11.292 5.834 144 H ARG 19 HN ARG 19 -13.942 11.990 4.302 145 HA ARG 19 HA ARG 19 -14.552 14.856 4.382 146 1HB ARG 19 HBR ARG 19 -15.090 13.403 6.662 147 2HB ARG 19 HBS ARG 19 -13.412 13.954 6.934 148 1HG ARG 19 HGS ARG 19 -14.480 15.747 7.821 149 2HG ARG 19 HGR ARG 19 -14.499 16.273 6.113 150 1HD ARG 19 HDS ARG 19 -16.676 16.594 6.716 151 2HD ARG 19 HDR ARG 19 -16.735 14.947 6.028 152 HE ARG 19 HE ARG 19 -17.074 15.703 8.839 153 1HH1 ARG 19 HH1 ARG 19 -16.874 13.159 6.407 154 2HH1 ARG 19 HH1 ARG 19 -17.331 11.911 7.518 155 1HH2 ARG 19 HH2 ARG 19 -17.544 14.027 10.290 156 2HH2 ARG 19 HH2 ARG 19 -17.712 12.401 9.715 157 H VAL 20 HN VAL 20 -12.715 12.825 3.108 158 HA VAL 20 HA VAL 20 -10.139 13.323 4.316 159 HB VAL 20 HB VAL 20 -10.804 11.935 1.711 160 1HG1 VAL 20 HMG VAL 20 -8.392 12.584 2.150 161 2HG1 VAL 20 HMG VAL 20 -8.426 11.428 3.504 162 3HG1 VAL 20 HMG VAL 20 -8.708 10.859 1.840 163 1HG2 VAL 20 HMG VAL 20 -11.136 11.078 4.524 164 2HG2 VAL 20 HMG VAL 20 -11.986 10.565 3.046 165 3HG2 VAL 20 HMG VAL 20 -10.379 9.901 3.422 166 H SER 21 HN SER 21 -8.908 14.988 4.014 167 HA SER 21 HA SER 21 -9.185 16.913 1.882 168 1HB SER 21 HBS SER 21 -7.286 17.949 2.736 169 2HB SER 21 HBR SER 21 -8.113 17.280 4.172 170 HG SER 21 HG SER 21 -5.640 17.102 3.686 171 H ASP 22 HN ASP 22 -7.510 17.330 0.290 172 HA ASP 22 HA ASP 22 -6.820 15.089 -1.280 173 1HB ASP 22 HBS ASP 22 -7.093 17.223 -2.285 174 2HB ASP 22 HBR ASP 22 -5.745 17.905 -1.328 175 H ASP 23 HN ASP 23 -5.314 16.499 1.482 176 HA ASP 23 HA ASP 23 -2.713 15.460 0.808 177 1HB ASP 23 HBR ASP 23 -3.832 17.332 2.763 178 2HB ASP 23 HBS ASP 23 -2.440 16.377 3.352 179 H ALA 24 HN ALA 24 -5.393 14.425 2.756 180 HA ALA 24 HA ALA 24 -3.907 12.392 4.251 181 1HB ALA 24 HMB ALA 24 -6.508 13.530 4.330 182 2HB ALA 24 HMB ALA 24 -6.688 11.788 3.997 183 3HB ALA 24 HMB ALA 24 -5.775 12.333 5.428 184 H ARG 25 HN ARG 25 -6.121 12.541 1.443 185 HA ARG 25 HA ARG 25 -5.939 9.803 0.864 186 1HB ARG 25 HBR ARG 25 -6.758 10.543 -1.462 187 2HB ARG 25 HBS ARG 25 -7.791 10.855 -0.037 188 1HG ARG 25 HGS ARG 25 -6.336 13.183 -0.224 189 2HG ARG 25 HGR ARG 25 -6.549 12.727 -1.938 190 1HD ARG 25 HDS ARG 25 -8.821 12.739 0.031 191 2HD ARG 25 HDR ARG 25 -8.329 14.193 -0.879 192 HE ARG 25 HE ARG 25 -9.723 11.856 -1.913 193 1HH1 ARG 25 HH1 ARG 25 -7.490 14.431 -2.815 194 2HH1 ARG 25 HH1 ARG 25 -8.118 14.560 -4.424 195 1HH2 ARG 25 HH2 ARG 25 -10.599 12.138 -3.984 196 2HH2 ARG 25 HH2 ARG 25 -9.879 13.265 -5.086 197 H ILE 26 HN ILE 26 -3.896 12.486 -0.080 198 HA ILE 26 HA ILE 26 -2.424 10.957 -2.017 199 HB ILE 26 HB ILE 26 -2.732 13.522 -1.864 200 1HG1 ILE 26 HG1 ILE 26 -1.337 12.213 -3.470 201 2HG1 ILE 26 HG1 ILE 26 -0.772 13.881 -3.170 202 1HG2 ILE 26 HMG ILE 26 -1.520 13.356 0.561 203 2HG2 ILE 26 HMG ILE 26 -0.144 13.789 -0.489 204 3HG2 ILE 26 HMG ILE 26 -1.597 14.823 -0.451 205 1HD1 ILE 26 HMD ILE 26 0.632 12.354 -1.317 206 2HD1 ILE 26 HMD ILE 26 0.599 11.338 -2.783 207 3HD1 ILE 26 HMD ILE 26 1.253 12.996 -2.862 208 H THR 27 HN THR 27 -1.927 11.807 1.401 209 HA THR 27 HA THR 27 0.701 10.756 1.649 210 HB THR 27 HB THR 27 -1.520 11.178 3.721 211 HG1 THR 27 HG1 THR 27 -0.936 12.879 3.710 212 1HG2 THR 27 HMG THR 27 0.729 9.583 4.122 213 2HG2 THR 27 HMG THR 27 1.172 11.168 4.808 214 3HG2 THR 27 HMG THR 27 -0.296 10.331 5.373 215 H LEU 28 HN LEU 28 -2.508 9.294 1.813 216 HA LEU 28 HA LEU 28 -1.650 6.671 2.706 217 1HB LEU 28 HBR LEU 28 -4.010 8.014 2.413 218 2HB LEU 28 HBS LEU 28 -4.019 6.982 0.961 219 HG LEU 28 HG LEU 28 -4.183 5.020 2.176 220 1HD1 LEU 28 HMD LEU 28 -2.839 6.550 4.317 221 2HD1 LEU 28 HMD LEU 28 -4.112 5.431 4.864 222 3HD1 LEU 28 HMD LEU 28 -2.747 4.822 3.895 223 1HD2 LEU 28 HMD LEU 28 -6.194 6.427 2.220 224 2HD2 LEU 28 HMD LEU 28 -6.069 5.404 3.675 225 3HD2 LEU 28 HMD LEU 28 -5.665 7.137 3.767 226 H ALA 29 HN ALA 29 -2.349 8.216 -0.437 227 HA ALA 29 HA ALA 29 -1.538 6.163 -2.105 228 1HB ALA 29 HMB ALA 29 -2.312 8.795 -2.407 229 2HB ALA 29 HMB ALA 29 -0.655 8.777 -3.063 230 3HB ALA 29 HMB ALA 29 -1.882 7.659 -3.709 231 H LYS 30 HN LYS 30 0.490 8.754 -0.704 232 HA LYS 30 HA LYS 30 2.862 7.762 -1.926 233 1HB LYS 30 HBS LYS 30 2.493 10.128 -1.307 234 2HB LYS 30 HBR LYS 30 2.586 9.672 0.417 235 1HG LYS 30 HGR LYS 30 4.754 10.311 0.152 236 2HG LYS 30 HGS LYS 30 4.926 8.633 -0.438 237 1HD LYS 30 HDS LYS 30 5.993 9.747 -2.094 238 2HD LYS 30 HDR LYS 30 4.380 9.599 -2.739 239 1HE LYS 30 HES LYS 30 3.956 11.931 -1.709 240 2HE LYS 30 HER LYS 30 5.739 12.020 -1.646 241 1HZ LYS 30 HZB LYS 30 5.137 11.117 -4.136 242 2HZ LYS 30 HZC LYS 30 4.024 12.281 -3.866 243 3HZ LYS 30 HZA LYS 30 5.615 12.627 -3.741 244 H ILE 31 HN ILE 31 1.351 7.251 1.202 245 HA ILE 31 HA ILE 31 3.479 5.770 2.443 246 HB ILE 31 HB ILE 31 0.486 6.059 2.790 247 1HG1 ILE 31 HG1 ILE 31 2.834 6.497 4.668 248 2HG1 ILE 31 HG1 ILE 31 2.115 7.738 3.600 249 1HG2 ILE 31 HMG ILE 31 0.998 3.635 3.201 250 2HG2 ILE 31 HMG ILE 31 2.074 4.158 4.522 251 3HG2 ILE 31 HMG ILE 31 0.332 4.533 4.590 252 1HD1 ILE 31 HMD ILE 31 -0.060 6.742 5.006 253 2HD1 ILE 31 HMD ILE 31 1.247 6.774 6.220 254 3HD1 ILE 31 HMD ILE 31 0.808 8.263 5.342 255 H LEU 32 HN LEU 32 0.438 4.533 1.004 256 HA LEU 32 HA LEU 32 1.162 1.921 0.929 257 1HB LEU 32 HBS LEU 32 -0.866 3.650 -0.196 258 2HB LEU 32 HBR LEU 32 -0.497 2.301 -1.307 259 HG LEU 32 HG LEU 32 -2.385 1.731 0.070 260 1HD1 LEU 32 HMD LEU 32 0.244 0.362 0.354 261 2HD1 LEU 32 HMD LEU 32 -1.079 -0.197 1.408 262 3HD1 LEU 32 HMD LEU 32 -1.284 -0.212 -0.362 263 1HD2 LEU 32 HMD LEU 32 -1.352 3.264 2.006 264 2HD2 LEU 32 HMD LEU 32 -2.505 1.947 2.336 265 3HD2 LEU 32 HMD LEU 32 -0.759 1.682 2.568 266 H GLU 33 HN GLU 33 1.898 4.369 -1.502 267 HA GLU 33 HA GLU 33 2.932 2.434 -3.404 268 1HB GLU 33 HBS GLU 33 3.364 4.263 -4.716 269 2HB GLU 33 HBR GLU 33 1.849 4.517 -4.044 270 1HG GLU 33 HGS GLU 33 2.665 6.621 -3.670 271 2HG GLU 33 HGR GLU 33 3.462 5.930 -2.230 272 H GLU 34 HN GLU 34 4.235 4.500 -0.866 273 HA GLU 34 HA GLU 34 7.042 4.084 -1.371 274 1HB GLU 34 HBR GLU 34 5.263 4.853 0.904 275 2HB GLU 34 HBS GLU 34 6.777 4.230 1.277 276 1HG GLU 34 HGS GLU 34 7.730 5.891 -0.486 277 2HG GLU 34 HGR GLU 34 6.250 6.835 -0.165 278 H MET 35 HN MET 35 4.480 2.307 0.345 279 HA MET 35 HA MET 35 6.112 0.139 1.178 280 1HB MET 35 HBS MET 35 3.354 0.873 1.313 281 2HB MET 35 HBR MET 35 3.464 -0.783 0.666 282 1HG MET 35 HGS MET 35 3.437 -1.132 3.005 283 2HG MET 35 HGR MET 35 5.162 -1.214 2.577 284 1HE MET 35 HME MET 35 2.417 0.286 4.445 285 2HE MET 35 HME MET 35 2.999 1.785 5.212 286 3HE MET 35 HME MET 35 2.454 1.806 3.515 287 H GLY 36 HN GLY 36 3.843 0.381 -1.588 288 1HA GLY 36 HAR GLY 36 4.316 -2.154 -2.630 289 2HA GLY 36 HAS GLY 36 3.729 -0.764 -3.584 290 H ARG 37 HN ARG 37 5.822 0.951 -3.595 291 HA ARG 37 HA ARG 37 7.784 -0.087 -5.338 292 1HB ARG 37 HBS ARG 37 7.118 2.376 -4.758 293 2HB ARG 37 HBR ARG 37 8.383 2.221 -3.506 294 1HG ARG 37 HGS ARG 37 10.008 1.607 -5.286 295 2HG ARG 37 HGR ARG 37 8.735 1.900 -6.505 296 1HD ARG 37 HDS ARG 37 10.287 3.794 -6.200 297 2HD ARG 37 HDR ARG 37 8.577 4.197 -5.876 298 HE ARG 37 HE ARG 37 9.630 3.527 -3.409 299 1HH1 ARG 37 HH1 ARG 37 10.724 5.737 -5.930 300 2HH1 ARG 37 HH1 ARG 37 11.260 6.934 -4.799 301 1HH2 ARG 37 HH2 ARG 37 10.225 5.171 -1.965 302 2HH2 ARG 37 HH2 ARG 37 10.980 6.615 -2.555 303 H ASP 38 HN ASP 38 7.711 0.276 -1.808 304 HA ASP 38 HA ASP 38 10.362 -0.445 -1.353 305 1HB ASP 38 HBR ASP 38 7.932 -0.220 0.295 306 2HB ASP 38 HBS ASP 38 9.230 -1.263 0.943 307 H ILE 39 HN ILE 39 7.473 -2.543 -1.326 308 HA ILE 39 HA ILE 39 8.947 -4.948 -0.665 309 HB ILE 39 HB ILE 39 6.238 -4.774 -2.059 310 1HG1 ILE 39 HG1 ILE 39 6.506 -4.833 0.946 311 2HG1 ILE 39 HG1 ILE 39 6.603 -3.282 0.065 312 1HG2 ILE 39 HMG ILE 39 7.273 -7.004 -1.873 313 2HG2 ILE 39 HMG ILE 39 7.317 -6.812 -0.100 314 3HG2 ILE 39 HMG ILE 39 5.751 -6.860 -0.953 315 1HD1 ILE 39 HMD ILE 39 4.349 -4.454 -1.006 316 2HD1 ILE 39 HMD ILE 39 4.288 -4.958 0.704 317 3HD1 ILE 39 HMD ILE 39 4.377 -3.226 0.287 318 H ALA 40 HN ALA 40 8.489 -3.030 -3.480 319 HA ALA 40 HA ALA 40 8.638 -5.108 -5.502 320 1HB ALA 40 HMB ALA 40 7.728 -2.775 -5.821 321 2HB ALA 40 HMB ALA 40 9.411 -2.194 -5.755 322 3HB ALA 40 HMB ALA 40 8.910 -3.325 -7.037 323 H SER 41 HN SER 41 10.967 -2.473 -4.882 324 HA SER 41 HA SER 41 13.107 -3.839 -6.044 325 1HB SER 41 HBR SER 41 12.958 -1.372 -5.636 326 2HB SER 41 HBS SER 41 13.372 -1.693 -3.927 327 HG SER 41 HG SER 41 15.183 -1.061 -5.094 328 H GLU 42 HN GLU 42 11.724 -4.214 -2.922 329 HA GLU 42 HA GLU 42 13.951 -5.688 -1.789 330 1HB GLU 42 HBR GLU 42 11.159 -4.974 -1.152 331 2HB GLU 42 HBS GLU 42 11.598 -6.509 -0.638 332 1HG GLU 42 HGR GLU 42 12.081 -5.009 1.243 333 2HG GLU 42 HGS GLU 42 13.564 -5.722 0.551 334 H ALA 43 HN ALA 43 10.689 -6.742 -2.877 335 HA ALA 43 HA ALA 43 11.263 -9.457 -3.125 336 1HB ALA 43 HMB ALA 43 9.329 -7.750 -4.714 337 2HB ALA 43 HMB ALA 43 9.326 -9.530 -4.650 338 3HB ALA 43 HMB ALA 43 9.016 -8.585 -3.172 339 H ILE 44 HN ILE 44 12.365 -6.841 -5.047 340 HA ILE 44 HA ILE 44 12.926 -8.517 -7.349 341 HB ILE 44 HB ILE 44 13.319 -5.562 -6.694 342 1HG1 ILE 44 HG1 ILE 44 11.478 -6.940 -8.682 343 2HG1 ILE 44 HG1 ILE 44 11.020 -6.493 -7.014 344 1HG2 ILE 44 HMG ILE 44 14.540 -7.082 -8.864 345 2HG2 ILE 44 HMG ILE 44 13.518 -5.738 -9.440 346 3HG2 ILE 44 HMG ILE 44 14.849 -5.420 -8.297 347 1HD1 ILE 44 HMD ILE 44 11.967 -4.115 -7.964 348 2HD1 ILE 44 HMD ILE 44 11.263 -4.830 -9.439 349 3HD1 ILE 44 HMD ILE 44 10.253 -4.611 -7.986 350 H LYS 45 HN LYS 45 14.910 -6.501 -5.144 351 HA LYS 45 HA LYS 45 17.426 -7.711 -5.693 352 1HB LYS 45 HBR LYS 45 16.590 -5.698 -4.062 353 2HB LYS 45 HBS LYS 45 16.854 -7.008 -2.875 354 1HG LYS 45 HGR LYS 45 19.164 -7.304 -3.861 355 2HG LYS 45 HGS LYS 45 18.872 -5.824 -4.817 356 1HD LYS 45 HDS LYS 45 20.148 -5.265 -2.879 357 2HD LYS 45 HDR LYS 45 18.570 -4.529 -2.826 358 1HE LYS 45 HES LYS 45 17.784 -5.954 -1.151 359 2HE LYS 45 HER LYS 45 19.110 -7.118 -1.425 360 1HZ LYS 45 HZC LYS 45 20.306 -4.755 -0.801 361 2HZ LYS 45 HZA LYS 45 19.056 -4.856 0.245 362 3HZ LYS 45 HZB LYS 45 20.158 -6.059 0.171 363 H LEU 46 HN LEU 46 14.569 -8.899 -4.203 364 HA LEU 46 HA LEU 46 15.819 -11.074 -2.801 365 1HB LEU 46 HBS LEU 46 13.158 -9.984 -3.365 366 2HB LEU 46 HBR LEU 46 13.187 -11.768 -3.289 367 HG LEU 46 HG LEU 46 14.026 -11.711 -1.033 368 1HD1 LEU 46 HMD LEU 46 15.227 -9.420 -1.661 369 2HD1 LEU 46 HMD LEU 46 13.767 -8.736 -0.901 370 3HD1 LEU 46 HMD LEU 46 14.817 -9.840 0.022 371 1HD2 LEU 46 HMD LEU 46 11.508 -10.779 -1.853 372 2HD2 LEU 46 HMD LEU 46 11.957 -11.426 -0.255 373 3HD2 LEU 46 HMD LEU 46 12.023 -9.672 -0.556 374 H ALA 47 HN ALA 47 14.069 -10.816 -5.909 375 HA ALA 47 HA ALA 47 14.472 -13.449 -6.725 376 1HB ALA 47 HMB ALA 47 13.961 -10.867 -8.176 377 2HB ALA 47 HMB ALA 47 14.238 -12.379 -9.078 378 3HB ALA 47 HMB ALA 47 12.888 -12.267 -7.920 379 H ARG 48 HN ARG 48 16.577 -10.631 -7.030 380 HA ARG 48 HA ARG 48 18.262 -11.869 -9.025 381 1HB ARG 48 HBR ARG 48 19.548 -9.851 -8.961 382 2HB ARG 48 HBS ARG 48 17.810 -9.435 -8.945 383 1HG ARG 48 HGS ARG 48 18.469 -7.991 -7.335 384 2HG ARG 48 HGR ARG 48 18.304 -9.432 -6.290 385 1HD ARG 48 HDS ARG 48 20.424 -8.095 -6.051 386 2HD ARG 48 HDR ARG 48 20.608 -9.850 -6.326 387 HE ARG 48 HE ARG 48 21.680 -9.382 -8.311 388 1HH1 ARG 48 HH1 ARG 48 20.171 -6.433 -7.104 389 2HH1 ARG 48 HH1 ARG 48 20.743 -5.470 -8.425 390 1HH2 ARG 48 HH2 ARG 48 22.302 -8.119 -10.087 391 2HH2 ARG 48 HH2 ARG 48 21.949 -6.424 -10.113 392 H HIS 49 HN HIS 49 18.570 -11.057 -5.567 393 HA HIS 49 HA HIS 49 21.155 -12.266 -5.172 394 1HB HIS 49 HBS HIS 49 18.857 -11.656 -3.281 395 2HB HIS 49 HBR HIS 49 20.313 -12.554 -2.762 396 HD1 HIS 49 HD1 HIS 49 22.268 -10.682 -4.625 397 HD2 HIS 49 HD2 HIS 49 19.522 -9.432 -1.754 398 HE1 HIS 49 HE1 HIS 49 22.936 -8.355 -3.974 399 HE2 HIS 49 HE2 HIS 49 21.265 -7.586 -2.252 400 H ALA 50 HN ALA 50 17.909 -13.421 -5.622 401 HA ALA 50 HA ALA 50 18.299 -16.173 -4.873 402 1HB ALA 50 HMB ALA 50 16.286 -14.569 -6.070 403 2HB ALA 50 HMB ALA 50 16.657 -15.899 -7.197 404 3HB ALA 50 HMB ALA 50 16.182 -16.260 -5.518 405 H GLY 51 HN GLY 51 18.846 -14.269 -7.839 406 1HA GLY 51 HAR GLY 51 20.763 -15.055 -9.227 407 2HA GLY 51 HAS GLY 51 20.053 -16.688 -9.126 408 H ARG 52 HN ARG 52 17.909 -13.956 -9.342 409 HA ARG 52 HA ARG 52 16.861 -12.836 -11.052 410 1HB ARG 52 HBS ARG 52 18.885 -14.178 -12.876 411 2HB ARG 52 HBR ARG 52 17.756 -12.863 -13.314 412 1HG ARG 52 HGS ARG 52 19.355 -11.410 -12.785 413 2HG ARG 52 HGR ARG 52 19.179 -11.917 -11.081 414 1HD ARG 52 HDS ARG 52 20.842 -13.635 -11.389 415 2HD ARG 52 HDR ARG 52 20.979 -13.224 -13.121 416 HE ARG 52 HE ARG 52 21.611 -10.874 -12.054 417 1HH1 ARG 52 HH1 ARG 52 22.754 -14.128 -11.321 418 2HH1 ARG 52 HH1 ARG 52 24.213 -13.566 -10.578 419 1HH2 ARG 52 HH2 ARG 52 23.467 -10.173 -10.957 420 2HH2 ARG 52 HH2 ARG 52 24.617 -11.328 -10.372 421 H LYS 53 HN LYS 53 14.933 -13.809 -10.894 422 HA LYS 53 HA LYS 53 14.260 -15.441 -13.207 423 1HB LYS 53 HBR LYS 53 14.295 -16.610 -10.517 424 2HB LYS 53 HBS LYS 53 12.695 -16.697 -11.307 425 1HG LYS 53 HGR LYS 53 13.387 -18.217 -12.843 426 2HG LYS 53 HGS LYS 53 15.004 -17.475 -13.005 427 1HD LYS 53 HDS LYS 53 15.933 -18.904 -11.616 428 2HD LYS 53 HDR LYS 53 14.721 -18.607 -10.400 429 1HE LYS 53 HES LYS 53 13.196 -20.159 -11.763 430 2HE LYS 53 HER LYS 53 14.707 -20.654 -12.578 431 1HZ LYS 53 HZC LYS 53 15.492 -20.921 -10.152 432 2HZ LYS 53 HZA LYS 53 13.900 -21.049 -9.815 433 3HZ LYS 53 HZB LYS 53 14.602 -22.098 -10.852 434 H THR 54 HN THR 54 11.669 -15.997 -12.676 435 HA THR 54 HA THR 54 10.308 -13.446 -12.630 436 HB THR 54 HB THR 54 8.982 -16.166 -12.196 437 HG1 THR 54 HG1 THR 54 8.904 -16.355 -14.204 438 1HG2 THR 54 HMG THR 54 8.089 -13.474 -13.043 439 2HG2 THR 54 HMG THR 54 7.417 -14.847 -13.961 440 3HG2 THR 54 HMG THR 54 7.209 -14.770 -12.192 441 H ILE 55 HN ILE 55 9.687 -12.312 -10.962 442 HA ILE 55 HA ILE 55 10.013 -13.129 -8.214 443 HB ILE 55 HB ILE 55 8.475 -10.830 -9.519 444 1HG1 ILE 55 HG1 ILE 55 11.072 -10.648 -7.974 445 2HG1 ILE 55 HG1 ILE 55 11.045 -11.078 -9.708 446 1HG2 ILE 55 HMG ILE 55 8.834 -11.564 -6.642 447 2HG2 ILE 55 HMG ILE 55 8.805 -9.844 -7.113 448 3HG2 ILE 55 HMG ILE 55 7.415 -10.897 -7.490 449 1HD1 ILE 55 HMD ILE 55 9.823 -8.942 -10.147 450 2HD1 ILE 55 HMD ILE 55 10.060 -8.510 -8.433 451 3HD1 ILE 55 HMD ILE 55 11.472 -8.723 -9.502 452 H LYS 56 HN LYS 56 8.436 -13.658 -6.724 453 HA LYS 56 HA LYS 56 5.852 -14.668 -7.784 454 1HB LYS 56 HBS LYS 56 6.475 -16.792 -6.370 455 2HB LYS 56 HBR LYS 56 6.987 -16.629 -8.074 456 1HG LYS 56 HGR LYS 56 9.224 -15.951 -7.371 457 2HG LYS 56 HGS LYS 56 8.726 -16.005 -5.655 458 1HD LYS 56 HDS LYS 56 10.011 -17.965 -6.240 459 2HD LYS 56 HDR LYS 56 8.388 -18.344 -5.732 460 1HE LYS 56 HES LYS 56 8.692 -19.752 -7.532 461 2HE LYS 56 HER LYS 56 7.785 -18.374 -8.218 462 1HZ LYS 56 HZA LYS 56 10.281 -17.600 -8.576 463 2HZ LYS 56 HZB LYS 56 10.485 -19.215 -8.716 464 3HZ LYS 56 HZC LYS 56 9.433 -18.437 -9.693 465 H ALA 57 HN ALA 57 4.464 -15.492 -6.046 466 HA ALA 57 HA ALA 57 4.041 -13.418 -4.263 467 1HB ALA 57 HMB ALA 57 2.854 -16.027 -4.837 468 2HB ALA 57 HMB ALA 57 2.649 -15.519 -3.141 469 3HB ALA 57 HMB ALA 57 2.087 -14.463 -4.462 470 H GLU 58 HN GLU 58 6.058 -16.201 -3.904 471 HA GLU 58 HA GLU 58 6.393 -16.180 -1.028 472 1HB GLU 58 HBS GLU 58 7.177 -17.609 -3.201 473 2HB GLU 58 HBR GLU 58 8.623 -16.822 -2.875 474 1HG GLU 58 HGS GLU 58 9.009 -18.095 -1.003 475 2HG GLU 58 HGR GLU 58 7.321 -17.995 -0.431 476 H ASP 59 HN ASP 59 8.456 -14.941 -3.696 477 HA ASP 59 HA ASP 59 10.079 -13.397 -2.078 478 1HB ASP 59 HBS ASP 59 9.611 -13.658 -4.947 479 2HB ASP 59 HBR ASP 59 10.204 -12.046 -4.451 480 H ILE 60 HN ILE 60 6.882 -12.723 -3.187 481 HA ILE 60 HA ILE 60 6.917 -9.902 -2.695 482 HB ILE 60 HB ILE 60 4.668 -11.958 -2.904 483 1HG1 ILE 60 HG1 ILE 60 5.851 -11.721 -4.946 484 2HG1 ILE 60 HG1 ILE 60 4.319 -10.818 -5.119 485 1HG2 ILE 60 HMG ILE 60 4.525 -9.100 -2.170 486 2HG2 ILE 60 HMG ILE 60 3.409 -9.637 -3.454 487 3HG2 ILE 60 HMG ILE 60 3.389 -10.438 -1.860 488 1HD1 ILE 60 HMD ILE 60 5.846 -8.789 -4.350 489 2HD1 ILE 60 HMD ILE 60 7.136 -9.825 -5.018 490 3HD1 ILE 60 HMD ILE 60 5.773 -9.318 -6.052 491 H GLU 61 HN GLU 61 5.196 -12.444 -0.843 492 HA GLU 61 HA GLU 61 4.698 -10.656 1.394 493 1HB GLU 61 HBR GLU 61 4.311 -13.549 0.714 494 2HB GLU 61 HBS GLU 61 4.315 -13.094 2.329 495 1HG GLU 61 HGS GLU 61 2.689 -11.159 1.180 496 2HG GLU 61 HGR GLU 61 2.121 -12.677 0.434 497 H LEU 62 HN LEU 62 7.353 -12.547 0.318 498 HA LEU 62 HA LEU 62 8.621 -12.626 2.946 499 1HB LEU 62 HBS LEU 62 8.802 -14.316 1.063 500 2HB LEU 62 HBR LEU 62 9.847 -13.133 0.226 501 HG LEU 62 HG LEU 62 10.683 -13.754 2.976 502 1HD1 LEU 62 HMD LEU 62 10.716 -15.872 0.801 503 2HD1 LEU 62 HMD LEU 62 11.681 -15.928 2.298 504 3HD1 LEU 62 HMD LEU 62 9.903 -15.970 2.383 505 1HD2 LEU 62 HMD LEU 62 11.887 -12.392 1.264 506 2HD2 LEU 62 HMD LEU 62 12.840 -13.760 1.892 507 3HD2 LEU 62 HMD LEU 62 12.080 -13.868 0.284 508 H ALA 63 HN ALA 63 8.484 -10.500 0.181 509 HA ALA 63 HA ALA 63 10.725 -8.829 1.104 510 1HB ALA 63 HMB ALA 63 8.860 -8.883 -1.222 511 2HB ALA 63 HMB ALA 63 9.522 -7.307 -0.717 512 3HB ALA 63 HMB ALA 63 10.623 -8.635 -1.160 513 H VAL 64 HN VAL 64 7.209 -9.017 1.222 514 HA VAL 64 HA VAL 64 6.784 -6.654 2.819 515 HB VAL 64 HB VAL 64 5.284 -9.210 2.291 516 1HG1 VAL 64 HMG VAL 64 4.905 -7.500 4.597 517 2HG1 VAL 64 HMG VAL 64 3.472 -7.479 3.542 518 3HG1 VAL 64 HMG VAL 64 4.099 -9.026 4.157 519 1HG2 VAL 64 HMG VAL 64 5.290 -6.487 1.231 520 2HG2 VAL 64 HMG VAL 64 4.711 -8.012 0.519 521 3HG2 VAL 64 HMG VAL 64 3.668 -7.098 1.634 522 H ARG 65 HN ARG 65 6.621 -10.071 3.859 523 HA ARG 65 HA ARG 65 7.061 -9.599 6.511 524 1HB ARG 65 HBS ARG 65 6.320 -11.749 5.581 525 2HB ARG 65 HBR ARG 65 7.977 -12.062 4.990 526 1HG ARG 65 HGS ARG 65 8.664 -12.800 6.987 527 2HG ARG 65 HGR ARG 65 7.878 -11.450 7.854 528 1HD ARG 65 HDS ARG 65 5.688 -12.706 7.343 529 2HD ARG 65 HDR ARG 65 6.755 -14.104 7.030 530 HE ARG 65 HE ARG 65 7.235 -14.229 9.306 531 1HH1 ARG 65 HH1 ARG 65 5.714 -11.117 8.650 532 2HH1 ARG 65 HH1 ARG 65 5.305 -10.843 10.310 533 1HH2 ARG 65 HH2 ARG 65 6.570 -13.897 11.448 534 2HH2 ARG 65 HH2 ARG 65 5.791 -12.415 11.894 535 H ARG 66 HN ARG 66 9.393 -9.392 4.006 536 HA ARG 66 HA ARG 66 11.803 -9.559 5.545 537 1HB ARG 66 HBS ARG 66 11.003 -8.649 2.905 538 2HB ARG 66 HBR ARG 66 12.144 -7.507 3.670 539 1HG ARG 66 HGS ARG 66 13.014 -10.256 4.024 540 2HG ARG 66 HGR ARG 66 12.760 -9.873 2.297 541 1HD ARG 66 HDS ARG 66 14.879 -9.144 2.491 542 2HD ARG 66 HDR ARG 66 14.039 -7.659 3.020 543 HE ARG 66 HE ARG 66 14.386 -8.856 5.375 544 1HH1 ARG 66 HH1 ARG 66 16.626 -8.219 2.729 545 2HH1 ARG 66 HH1 ARG 66 18.027 -8.347 3.740 546 1HH2 ARG 66 HH2 ARG 66 16.246 -9.142 6.639 547 2HH2 ARG 66 HH2 ARG 66 17.813 -8.868 5.953 548 H PHE 67 HN PHE 67 9.821 -6.732 4.563 549 HA PHE 67 HA PHE 67 10.935 -4.873 6.299 550 1HB PHE 67 HBS PHE 67 7.985 -4.982 5.537 551 2HB PHE 67 HBR PHE 67 8.895 -3.563 6.135 552 HD1 PHE 67 HD2 PHE 67 11.104 -3.022 4.595 553 HD2 PHE 67 HD1 PHE 67 7.632 -5.164 3.365 554 HE1 PHE 67 HE2 PHE 67 11.743 -2.689 2.229 555 HE2 PHE 67 HE1 PHE 67 8.302 -4.940 1.015 556 HZ PHE 67 HZ PHE 67 10.368 -3.723 0.444 557 H LYS 68 HN LYS 68 8.103 -6.978 6.886 558 HA LYS 68 HA LYS 68 6.984 -7.556 8.803 559 1HB LYS 68 HBS LYS 68 9.270 -8.177 9.645 560 2HB LYS 68 HBR LYS 68 9.387 -6.538 10.346 561 1HG LYS 68 HGR LYS 68 6.896 -7.702 11.169 562 2HG LYS 68 HGS LYS 68 8.202 -8.882 11.474 563 1HD LYS 68 HDS LYS 68 8.105 -6.026 12.449 564 2HD LYS 68 HDR LYS 68 7.762 -7.455 13.386 565 1HE LYS 68 HES LYS 68 10.072 -8.268 12.969 566 2HE LYS 68 HER LYS 68 10.404 -6.710 12.159 567 1HZ LYS 68 HZA LYS 68 9.776 -5.633 14.240 568 2HZ LYS 68 HZB LYS 68 9.619 -7.088 14.965 569 3HZ LYS 68 HZC LYS 68 11.078 -6.602 14.417 570 H LYS 69 HN LYS 69 7.300 -4.727 7.606 571 HA LYS 69 HA LYS 69 5.773 -3.297 9.652 572 1HB LYS 69 HBS LYS 69 8.345 -2.970 10.054 573 2HB LYS 69 HBR LYS 69 8.225 -1.892 8.634 574 1HG LYS 69 HGR LYS 69 6.144 -0.957 10.083 575 2HG LYS 69 HGS LYS 69 7.187 -1.546 11.409 576 1HD LYS 69 HDS LYS 69 8.067 0.361 9.239 577 2HD LYS 69 HDR LYS 69 7.469 0.840 10.804 578 1HE LYS 69 HES LYS 69 9.520 -1.106 11.201 579 2HE LYS 69 HER LYS 69 10.097 0.163 10.085 580 1HZ LYS 69 HZA LYS 69 9.058 1.698 11.839 581 2HZ LYS 69 HZB LYS 69 9.207 0.420 12.844 582 3HZ LYS 69 HZC LYS 69 10.530 1.048 12.120 583 1H MET 1 HN MET 1 -12.942 -4.849 -3.455 584 2H MET 1 HNB MET 1 -13.254 -3.409 -2.752 585 3H MET 1 HNC MET 1 -12.038 -3.544 -3.832 586 HA MET 1 HA MET 1 -11.095 -3.403 -1.717 587 1HB MET 1 HBS MET 1 -11.601 -4.965 0.035 588 2HB MET 1 HBR MET 1 -13.079 -4.112 -0.467 589 1HG MET 1 HGS MET 1 -12.365 -6.811 -1.686 590 2HG MET 1 HGR MET 1 -13.090 -6.727 -0.065 591 1HE MET 1 HME MET 1 -15.375 -6.111 0.475 592 2HE MET 1 HME MET 1 -16.708 -6.329 -0.688 593 3HE MET 1 HME MET 1 -15.552 -7.654 -0.397 594 H GLU 2 HN GLU 2 -10.471 -4.325 -4.272 595 HA GLU 2 HA GLU 2 -8.177 -5.869 -3.552 596 1HB GLU 2 HBR GLU 2 -8.572 -7.769 -5.026 597 2HB GLU 2 HBS GLU 2 -9.559 -7.697 -3.671 598 1HG GLU 2 HGS GLU 2 -11.019 -6.319 -5.627 599 2HG GLU 2 HGR GLU 2 -10.477 -7.820 -6.428 600 H LEU 3 HN LEU 3 -6.708 -4.745 -4.583 601 HA LEU 3 HA LEU 3 -7.403 -2.913 -6.684 602 1HB LEU 3 HBR LEU 3 -4.580 -3.630 -5.980 603 2HB LEU 3 HBS LEU 3 -5.306 -2.038 -6.335 604 HG LEU 3 HG LEU 3 -5.577 -3.613 -3.760 605 1HD1 LEU 3 HMD LEU 3 -3.958 -1.214 -4.618 606 2HD1 LEU 3 HMD LEU 3 -4.407 -1.479 -2.914 607 3HD1 LEU 3 HMD LEU 3 -3.421 -2.689 -3.776 608 1HD2 LEU 3 HMD LEU 3 -7.108 -1.456 -4.979 609 2HD2 LEU 3 HMD LEU 3 -7.443 -2.408 -3.511 610 3HD2 LEU 3 HMD LEU 3 -6.399 -0.967 -3.419 611 HA PRO 4 HA PRO 4 -6.424 -5.304 -10.278 612 1HB PRO 4 HBR PRO 4 -6.080 -3.199 -11.890 613 2HB PRO 4 HBS PRO 4 -7.512 -3.967 -11.652 614 1HG PRO 4 HGS PRO 4 -6.748 -1.458 -10.764 615 2HG PRO 4 HGR PRO 4 -8.281 -2.117 -10.803 616 1HD PRO 4 HDS PRO 4 -6.672 -1.822 -8.607 617 2HD PRO 4 HDR PRO 4 -8.168 -2.524 -8.657 618 H ILE 5 HN ILE 5 -4.713 -6.137 -11.264 619 HA ILE 5 HA ILE 5 -2.313 -5.718 -9.889 620 HB ILE 5 HB ILE 5 -1.317 -7.310 -11.476 621 1HG1 ILE 5 HG1 ILE 5 -2.441 -6.198 -13.479 622 2HG1 ILE 5 HG1 ILE 5 -2.251 -7.973 -13.520 623 1HG2 ILE 5 HMG ILE 5 -4.159 -8.063 -10.763 624 2HG2 ILE 5 HMG ILE 5 -2.868 -9.197 -11.237 625 3HG2 ILE 5 HMG ILE 5 -2.711 -8.243 -9.738 626 1HD1 ILE 5 HMD ILE 5 -4.772 -7.566 -12.391 627 2HD1 ILE 5 HMD ILE 5 -4.654 -6.349 -13.690 628 3HD1 ILE 5 HMD ILE 5 -4.407 -8.076 -14.061 629 H ALA 6 HN ALA 6 -3.624 -4.029 -12.566 630 HA ALA 6 HA ALA 6 -1.317 -3.480 -14.089 631 1HB ALA 6 HMB ALA 6 -4.069 -2.705 -14.048 632 2HB ALA 6 HMB ALA 6 -3.065 -1.242 -14.209 633 3HB ALA 6 HMB ALA 6 -2.884 -2.578 -15.373 634 HA PRO 7 HA PRO 7 -1.075 0.704 -11.639 635 1HB PRO 7 HBR PRO 7 -2.303 0.558 -9.228 636 2HB PRO 7 HBS PRO 7 -2.794 1.466 -10.505 637 1HG PRO 7 HGS PRO 7 -3.879 -0.919 -9.560 638 2HG PRO 7 HGR PRO 7 -4.585 0.221 -10.554 639 1HD PRO 7 HDS PRO 7 -3.696 -2.160 -11.372 640 2HD PRO 7 HDR PRO 7 -3.990 -0.872 -12.367 641 H ILE 8 HN ILE 8 -1.340 -1.988 -9.451 642 HA ILE 8 HA ILE 8 1.106 -1.486 -8.067 643 HB ILE 8 HB ILE 8 -0.471 -4.063 -8.537 644 1HG1 ILE 8 HG1 ILE 8 -0.423 -2.686 -5.891 645 2HG1 ILE 8 HG1 ILE 8 -1.277 -1.843 -7.215 646 1HG2 ILE 8 HMG ILE 8 2.088 -3.612 -7.184 647 2HG2 ILE 8 HMG ILE 8 0.865 -4.427 -6.173 648 3HG2 ILE 8 HMG ILE 8 1.326 -5.122 -7.750 649 1HD1 ILE 8 HMD ILE 8 -1.918 -4.717 -6.894 650 2HD1 ILE 8 HMD ILE 8 -2.434 -3.647 -5.564 651 3HD1 ILE 8 HMD ILE 8 -2.980 -3.325 -7.232 652 H GLY 9 HN GLY 9 0.329 -2.850 -11.178 653 1HA GLY 9 HAR GLY 9 2.747 -4.125 -11.844 654 2HA GLY 9 HAS GLY 9 1.674 -3.289 -12.998 655 H ARG 10 HN ARG 10 1.787 -0.688 -12.166 656 HA ARG 10 HA ARG 10 4.386 0.042 -13.187 657 1HB ARG 10 HBR ARG 10 2.290 1.988 -12.220 658 2HB ARG 10 HBS ARG 10 3.516 2.186 -13.506 659 1HG ARG 10 HGS ARG 10 1.128 0.317 -13.658 660 2HG ARG 10 HGR ARG 10 1.188 1.958 -14.361 661 1HD ARG 10 HDS ARG 10 3.418 0.145 -15.044 662 2HD ARG 10 HDR ARG 10 1.812 -0.283 -15.699 663 HE ARG 10 HE ARG 10 3.500 1.716 -16.710 664 1HH1 ARG 10 HH1 ARG 10 0.102 1.160 -15.954 665 2HH1 ARG 10 HH1 ARG 10 -0.446 2.451 -16.969 666 1HH2 ARG 10 HH2 ARG 10 2.755 3.477 -17.925 667 2HH2 ARG 10 HH2 ARG 10 1.053 3.762 -18.087 668 H ILE 11 HN ILE 11 3.017 -0.258 -10.061 669 HA ILE 11 HA ILE 11 4.818 1.429 -8.579 670 HB ILE 11 HB ILE 11 3.374 -1.173 -7.876 671 1HG1 ILE 11 HG1 ILE 11 2.055 0.916 -8.474 672 2HG1 ILE 11 HG1 ILE 11 1.689 0.153 -6.900 673 1HG2 ILE 11 HMG ILE 11 5.470 0.142 -6.441 674 2HG2 ILE 11 HMG ILE 11 3.944 0.298 -5.531 675 3HG2 ILE 11 HMG ILE 11 4.538 -1.316 -6.007 676 1HD1 ILE 11 HMD ILE 11 3.460 2.585 -7.289 677 2HD1 ILE 11 HMD ILE 11 1.747 2.623 -6.791 678 3HD1 ILE 11 HMD ILE 11 2.966 1.855 -5.737 679 H ILE 12 HN ILE 12 4.895 -2.134 -8.895 680 HA ILE 12 HA ILE 12 7.530 -2.306 -7.925 681 HB ILE 12 HB ILE 12 6.198 -4.415 -9.682 682 1HG1 ILE 12 HG1 ILE 12 4.447 -3.753 -8.237 683 2HG1 ILE 12 HG1 ILE 12 5.125 -5.256 -7.550 684 1HG2 ILE 12 HMG ILE 12 8.600 -4.608 -8.705 685 2HG2 ILE 12 HMG ILE 12 7.750 -4.966 -7.179 686 3HG2 ILE 12 HMG ILE 12 7.480 -5.994 -8.612 687 1HD1 ILE 12 HMD ILE 12 5.948 -2.520 -6.564 688 2HD1 ILE 12 HMD ILE 12 4.528 -3.387 -5.920 689 3HD1 ILE 12 HMD ILE 12 6.154 -4.105 -5.772 690 H LYS 13 HN LYS 13 6.285 -1.774 -11.130 691 HA LYS 13 HA LYS 13 8.748 -2.170 -12.546 692 1HB LYS 13 HBR LYS 13 6.135 -0.821 -13.078 693 2HB LYS 13 HBS LYS 13 7.542 -0.347 -14.070 694 1HG LYS 13 HGR LYS 13 7.703 -3.089 -14.157 695 2HG LYS 13 HGS LYS 13 5.935 -2.832 -14.099 696 1HD LYS 13 HDS LYS 13 6.752 -2.980 -16.384 697 2HD LYS 13 HDR LYS 13 5.962 -1.471 -16.015 698 1HE LYS 13 HES LYS 13 8.920 -1.564 -15.722 699 2HE LYS 13 HER LYS 13 8.212 -1.559 -17.362 700 1HZ LYS 13 HZC LYS 13 6.849 0.357 -16.081 701 2HZ LYS 13 HZA LYS 13 8.340 0.537 -15.442 702 3HZ LYS 13 HZB LYS 13 8.129 0.615 -17.060 703 H ASP 14 HN ASP 14 7.160 0.671 -11.074 704 HA ASP 14 HA ASP 14 9.001 2.555 -11.703 705 1HB ASP 14 HBS ASP 14 6.826 2.956 -10.628 706 2HB ASP 14 HBR ASP 14 7.533 2.422 -9.074 707 H ALA 15 HN ALA 15 9.170 0.272 -9.017 708 HA ALA 15 HA ALA 15 11.629 0.899 -7.920 709 1HB ALA 15 HMB ALA 15 9.864 -1.155 -7.697 710 2HB ALA 15 HMB ALA 15 11.228 -1.963 -8.511 711 3HB ALA 15 HMB ALA 15 11.486 -1.129 -6.959 712 H GLY 16 HN GLY 16 10.977 -0.940 -10.898 713 1HA GLY 16 HAR GLY 16 12.787 -0.932 -12.629 714 2HA GLY 16 HAS GLY 16 13.926 -1.270 -11.300 715 H ALA 17 HN ALA 17 10.714 -2.668 -11.313 716 HA ALA 17 HA ALA 17 11.710 -5.313 -11.266 717 1HB ALA 17 HMB ALA 17 9.646 -4.526 -10.168 718 2HB ALA 17 HMB ALA 17 8.881 -4.350 -11.767 719 3HB ALA 17 HMB ALA 17 9.382 -5.961 -11.192 720 H GLU 18 HN GLU 18 11.561 -6.998 -12.706 721 HA GLU 18 HA GLU 18 11.695 -6.094 -15.527 722 1HB GLU 18 HBR GLU 18 13.563 -7.178 -14.102 723 2HB GLU 18 HBS GLU 18 12.651 -8.585 -14.187 724 1HG GLU 18 HGS GLU 18 13.264 -7.262 -16.772 725 2HG GLU 18 HGR GLU 18 14.574 -8.215 -16.022 726 H ARG 19 HN ARG 19 10.946 -9.200 -13.894 727 HA ARG 19 HA ARG 19 8.302 -9.205 -15.209 728 1HB ARG 19 HBR ARG 19 10.391 -10.886 -16.078 729 2HB ARG 19 HBS ARG 19 9.328 -11.904 -15.063 730 1HG ARG 19 HGS ARG 19 8.395 -10.206 -17.402 731 2HG ARG 19 HGR ARG 19 8.747 -11.956 -17.481 732 1HD ARG 19 HDS ARG 19 7.080 -12.206 -15.582 733 2HD ARG 19 HDR ARG 19 6.593 -10.526 -15.944 734 HE ARG 19 HE ARG 19 6.585 -12.469 -18.163 735 1HH1 ARG 19 HH1 ARG 19 4.707 -10.868 -15.646 736 2HH1 ARG 19 HH1 ARG 19 3.227 -10.953 -16.543 737 1HH2 ARG 19 HH2 ARG 19 4.660 -12.446 -19.359 738 2HH2 ARG 19 HH2 ARG 19 3.200 -11.848 -18.644 739 H VAL 20 HN VAL 20 6.972 -9.148 -13.565 740 HA VAL 20 HA VAL 20 7.449 -10.995 -11.283 741 HB VAL 20 HB VAL 20 5.648 -8.567 -11.440 742 1HG1 VAL 20 HMG VAL 20 5.851 -10.767 -9.468 743 2HG1 VAL 20 HMG VAL 20 5.793 -9.116 -8.802 744 3HG1 VAL 20 HMG VAL 20 4.489 -9.692 -9.869 745 1HG2 VAL 20 HMG VAL 20 8.278 -8.396 -11.229 746 2HG2 VAL 20 HMG VAL 20 7.188 -7.340 -10.299 747 3HG2 VAL 20 HMG VAL 20 7.925 -8.763 -9.524 748 H SER 21 HN SER 21 6.072 -12.599 -10.896 749 HA SER 21 HA SER 21 4.138 -13.451 -12.848 750 1HB SER 21 HBS SER 21 3.425 -15.038 -11.085 751 2HB SER 21 HBR SER 21 5.172 -15.099 -11.457 752 HG SER 21 HG SER 21 5.723 -14.504 -9.571 753 H ASP 22 HN ASP 22 1.967 -13.259 -12.880 754 HA ASP 22 HA ASP 22 0.823 -10.952 -11.867 755 1HB ASP 22 HBS ASP 22 -1.265 -11.696 -12.702 756 2HB ASP 22 HBR ASP 22 0.031 -12.193 -13.828 757 H ASP 23 HN ASP 23 1.099 -14.089 -10.387 758 HA ASP 23 HA ASP 23 -0.791 -13.491 -8.324 759 1HB ASP 23 HBS ASP 23 0.031 -15.772 -9.332 760 2HB ASP 23 HBR ASP 23 1.198 -15.679 -7.982 761 H ALA 24 HN ALA 24 2.578 -12.888 -8.754 762 HA ALA 24 HA ALA 24 3.244 -12.282 -5.996 763 1HB ALA 24 HMB ALA 24 4.435 -11.934 -8.673 764 2HB ALA 24 HMB ALA 24 4.815 -10.650 -7.496 765 3HB ALA 24 HMB ALA 24 5.187 -12.350 -7.112 766 H ARG 25 HN ARG 25 2.019 -10.479 -8.822 767 HA ARG 25 HA ARG 25 2.128 -7.987 -7.394 768 1HB ARG 25 HBR ARG 25 1.039 -7.097 -9.503 769 2HB ARG 25 HBS ARG 25 2.639 -7.872 -9.679 770 1HG ARG 25 HGS ARG 25 1.489 -9.944 -10.457 771 2HG ARG 25 HGR ARG 25 -0.061 -9.057 -10.402 772 1HD ARG 25 HDS ARG 25 1.323 -7.327 -11.852 773 2HD ARG 25 HDR ARG 25 2.239 -8.805 -12.264 774 HE ARG 25 HE ARG 25 -0.653 -8.353 -12.784 775 1HH1 ARG 25 HH1 ARG 25 2.223 -10.351 -13.181 776 2HH1 ARG 25 HH1 ARG 25 1.636 -11.103 -14.627 777 1HH2 ARG 25 HH2 ARG 25 -1.352 -9.293 -14.724 778 2HH2 ARG 25 HH2 ARG 25 -0.398 -10.521 -15.487 779 H ILE 26 HN ILE 26 -0.238 -10.438 -7.716 780 HA ILE 26 HA ILE 26 -2.444 -8.691 -6.866 781 HB ILE 26 HB ILE 26 -2.684 -10.788 -8.351 782 1HG1 ILE 26 HG1 ILE 26 -4.467 -9.431 -7.180 783 2HG1 ILE 26 HG1 ILE 26 -4.906 -11.103 -7.625 784 1HG2 ILE 26 HMG ILE 26 -1.362 -12.360 -7.046 785 2HG2 ILE 26 HMG ILE 26 -2.507 -12.214 -5.687 786 3HG2 ILE 26 HMG ILE 26 -3.044 -12.921 -7.233 787 1HD1 ILE 26 HMD ILE 26 -4.064 -11.525 -5.106 788 2HD1 ILE 26 HMD ILE 26 -4.627 -9.839 -4.952 789 3HD1 ILE 26 HMD ILE 26 -5.747 -11.105 -5.522 790 H THR 27 HN THR 27 -0.089 -10.962 -5.521 791 HA THR 27 HA THR 27 -1.166 -11.090 -2.873 792 HB THR 27 HB THR 27 1.668 -11.512 -3.969 793 HG1 THR 27 HG1 THR 27 -0.312 -13.064 -2.943 794 1HG2 THR 27 HMG THR 27 1.673 -10.868 -1.529 795 2HG2 THR 27 HMG THR 27 0.758 -12.365 -1.216 796 3HG2 THR 27 HMG THR 27 2.388 -12.450 -1.930 797 H LEU 28 HN LEU 28 1.225 -8.974 -4.454 798 HA LEU 28 HA LEU 28 1.584 -7.133 -2.288 799 1HB LEU 28 HBR LEU 28 2.554 -7.572 -4.836 800 2HB LEU 28 HBS LEU 28 1.591 -6.084 -5.034 801 HG LEU 28 HG LEU 28 2.982 -4.829 -3.672 802 1HD1 LEU 28 HMD LEU 28 3.129 -6.373 -1.761 803 2HD1 LEU 28 HMD LEU 28 4.267 -7.394 -2.677 804 3HD1 LEU 28 HMD LEU 28 4.724 -5.733 -2.226 805 1HD2 LEU 28 HMD LEU 28 3.940 -5.590 -5.849 806 2HD2 LEU 28 HMD LEU 28 5.159 -5.138 -4.628 807 3HD2 LEU 28 HMD LEU 28 4.826 -6.857 -4.964 808 H ALA 29 HN ALA 29 -0.745 -7.411 -4.960 809 HA ALA 29 HA ALA 29 -2.202 -5.097 -4.517 810 1HB ALA 29 HMB ALA 29 -2.385 -6.934 -6.344 811 2HB ALA 29 HMB ALA 29 -3.594 -7.656 -5.252 812 3HB ALA 29 HMB ALA 29 -3.831 -6.005 -5.878 813 H LYS 30 HN LYS 30 -2.772 -8.331 -3.099 814 HA LYS 30 HA LYS 30 -4.850 -7.398 -1.387 815 1HB LYS 30 HBR LYS 30 -3.776 -9.884 -2.161 816 2HB LYS 30 HBS LYS 30 -3.580 -9.798 -0.387 817 1HG LYS 30 HGR LYS 30 -5.804 -9.977 -0.004 818 2HG LYS 30 HGS LYS 30 -6.230 -8.934 -1.391 819 1HD LYS 30 HDS LYS 30 -5.229 -11.223 -2.578 820 2HD LYS 30 HDR LYS 30 -6.073 -11.836 -1.183 821 1HE LYS 30 HES LYS 30 -7.536 -11.776 -3.115 822 2HE LYS 30 HER LYS 30 -8.100 -10.685 -1.818 823 1HZ LYS 30 HZC LYS 30 -6.467 -9.739 -4.059 824 2HZ LYS 30 HZA LYS 30 -8.098 -9.780 -4.131 825 3HZ LYS 30 HZB LYS 30 -7.353 -8.853 -3.012 826 H ILE 31 HN ILE 31 -1.387 -7.550 -1.091 827 HA ILE 31 HA ILE 31 -1.170 -7.231 1.770 828 HB ILE 31 HB ILE 31 0.627 -6.680 -0.626 829 1HG1 ILE 31 HG1 ILE 31 1.144 -8.574 1.667 830 2HG1 ILE 31 HG1 ILE 31 0.011 -9.005 0.354 831 1HG2 ILE 31 HMG ILE 31 1.091 -4.990 1.183 832 2HG2 ILE 31 HMG ILE 31 1.548 -6.357 2.232 833 3HG2 ILE 31 HMG ILE 31 2.454 -6.046 0.728 834 1HD1 ILE 31 HMD ILE 31 1.828 -8.677 -1.288 835 2HD1 ILE 31 HMD ILE 31 2.951 -8.319 0.050 836 3HD1 ILE 31 HMD ILE 31 2.213 -9.938 -0.087 837 H LEU 32 HN LEU 32 -0.464 -4.819 -0.768 838 HA LEU 32 HA LEU 32 -0.451 -2.698 0.924 839 1HB LEU 32 HBR LEU 32 -0.392 -3.224 -1.907 840 2HB LEU 32 HBS LEU 32 -1.268 -1.698 -1.589 841 HG LEU 32 HG LEU 32 0.930 -1.328 -0.056 842 1HD1 LEU 32 HMD LEU 32 1.819 -2.909 -2.490 843 2HD1 LEU 32 HMD LEU 32 2.882 -2.004 -1.384 844 3HD1 LEU 32 HMD LEU 32 1.976 -3.419 -0.790 845 1HD2 LEU 32 HMD LEU 32 -0.098 -0.546 -2.670 846 2HD2 LEU 32 HMD LEU 32 0.662 0.441 -1.396 847 3HD2 LEU 32 HMD LEU 32 1.678 -0.420 -2.581 848 H GLU 33 HN GLU 33 -3.254 -4.017 -0.763 849 HA GLU 33 HA GLU 33 -4.920 -1.750 -0.242 850 1HB GLU 33 HBR GLU 33 -6.485 -2.923 -1.459 851 2HB GLU 33 HBS GLU 33 -4.990 -3.367 -2.073 852 1HG GLU 33 HGS GLU 33 -5.834 -5.434 -2.048 853 2HG GLU 33 HGR GLU 33 -5.136 -5.466 -0.406 854 H GLU 34 HN GLU 34 -4.630 -4.980 1.252 855 HA GLU 34 HA GLU 34 -6.683 -4.745 3.166 856 1HB GLU 34 HBR GLU 34 -4.069 -6.206 2.963 857 2HB GLU 34 HBS GLU 34 -4.870 -6.163 4.437 858 1HG GLU 34 HGS GLU 34 -6.524 -6.913 2.095 859 2HG GLU 34 HGR GLU 34 -5.427 -8.170 2.728 860 H MET 35 HN MET 35 -3.255 -3.757 3.277 861 HA MET 35 HA MET 35 -3.306 -2.463 5.802 862 1HB MET 35 HBS MET 35 -1.583 -2.459 3.404 863 2HB MET 35 HBR MET 35 -1.560 -0.951 4.363 864 1HG MET 35 HGS MET 35 -1.200 -2.418 6.427 865 2HG MET 35 HGR MET 35 -0.949 -3.775 5.302 866 1HE MET 35 HME MET 35 0.065 -0.908 7.026 867 2HE MET 35 HME MET 35 1.753 -1.450 7.202 868 3HE MET 35 HME MET 35 1.368 -0.051 6.168 869 H GLY 36 HN GLY 36 -3.786 -1.123 2.508 870 1HA GLY 36 HAR GLY 36 -4.018 1.507 3.281 871 2HA GLY 36 HAS GLY 36 -4.733 0.850 1.784 872 H ARG 37 HN ARG 37 -6.655 -0.866 2.850 873 HA ARG 37 HA ARG 37 -8.824 0.921 3.471 874 1HB ARG 37 HBR ARG 37 -8.450 -2.048 3.317 875 2HB ARG 37 HBS ARG 37 -9.857 -1.399 4.207 876 1HG ARG 37 HGS ARG 37 -10.644 -0.256 2.225 877 2HG ARG 37 HGR ARG 37 -9.181 -0.741 1.322 878 1HD ARG 37 HDS ARG 37 -11.013 -2.159 0.712 879 2HD ARG 37 HDR ARG 37 -9.808 -3.097 1.638 880 HE ARG 37 HE ARG 37 -12.537 -2.432 2.454 881 1HH1 ARG 37 HH1 ARG 37 -9.420 -3.853 3.287 882 2HH1 ARG 37 HH1 ARG 37 -9.999 -4.519 4.777 883 1HH2 ARG 37 HH2 ARG 37 -13.223 -3.206 4.470 884 2HH2 ARG 37 HH2 ARG 37 -12.151 -4.154 5.447 885 H ASP 38 HN ASP 38 -6.689 -1.205 5.347 886 HA ASP 38 HA ASP 38 -7.821 -0.811 7.842 887 1HB ASP 38 HBS ASP 38 -5.521 -2.031 6.836 888 2HB ASP 38 HBR ASP 38 -4.962 -0.896 8.098 889 H ILE 39 HN ILE 39 -5.327 1.189 6.257 890 HA ILE 39 HA ILE 39 -5.008 2.997 8.416 891 HB ILE 39 HB ILE 39 -4.673 3.848 5.517 892 1HG1 ILE 39 HG1 ILE 39 -2.922 1.891 7.045 893 2HG1 ILE 39 HG1 ILE 39 -3.765 1.642 5.489 894 1HG2 ILE 39 HMG ILE 39 -3.650 4.697 8.143 895 2HG2 ILE 39 HMG ILE 39 -2.444 4.647 6.830 896 3HG2 ILE 39 HMG ILE 39 -3.925 5.624 6.644 897 1HD1 ILE 39 HMD ILE 39 -2.015 3.897 5.253 898 2HD1 ILE 39 HMD ILE 39 -1.112 2.513 5.923 899 3HD1 ILE 39 HMD ILE 39 -1.988 2.342 4.379 900 H ALA 40 HN ALA 40 -7.392 2.766 5.865 901 HA ALA 40 HA ALA 40 -8.270 5.516 5.894 902 1HB ALA 40 HMB ALA 40 -9.004 3.000 4.595 903 2HB ALA 40 HMB ALA 40 -10.410 4.002 5.039 904 3HB ALA 40 HMB ALA 40 -9.119 4.681 4.015 905 H SER 41 HN SER 41 -10.026 2.565 6.928 906 HA SER 41 HA SER 41 -11.930 3.996 8.429 907 1HB SER 41 HBS SER 41 -12.176 1.644 9.592 908 2HB SER 41 HBR SER 41 -12.702 1.921 7.907 909 HG SER 41 HG SER 41 -11.093 0.849 7.065 910 H GLU 42 HN GLU 42 -8.684 3.197 9.159 911 HA GLU 42 HA GLU 42 -9.005 3.559 12.028 912 1HB GLU 42 HBR GLU 42 -6.821 3.020 10.060 913 2HB GLU 42 HBS GLU 42 -6.398 3.741 11.515 914 1HG GLU 42 HGS GLU 42 -6.087 1.484 11.960 915 2HG GLU 42 HGR GLU 42 -7.589 1.891 12.833 916 H ALA 43 HN ALA 43 -7.411 5.368 9.371 917 HA ALA 43 HA ALA 43 -6.888 7.764 10.866 918 1HB ALA 43 HMB ALA 43 -5.926 7.051 8.619 919 2HB ALA 43 HMB ALA 43 -7.469 7.590 7.908 920 3HB ALA 43 HMB ALA 43 -6.437 8.750 8.784 921 H ILE 44 HN ILE 44 -9.737 6.262 9.681 922 HA ILE 44 HA ILE 44 -11.262 8.743 9.749 923 HB ILE 44 HB ILE 44 -11.884 5.848 9.017 924 1HG1 ILE 44 HG1 ILE 44 -11.871 8.347 7.292 925 2HG1 ILE 44 HG1 ILE 44 -10.436 7.317 7.559 926 1HG2 ILE 44 HMG ILE 44 -13.820 7.645 9.906 927 2HG2 ILE 44 HMG ILE 44 -13.912 7.714 8.127 928 3HG2 ILE 44 HMG ILE 44 -14.076 6.150 8.968 929 1HD1 ILE 44 HMD ILE 44 -12.282 5.467 6.772 930 2HD1 ILE 44 HMD ILE 44 -12.795 6.897 5.837 931 3HD1 ILE 44 HMD ILE 44 -11.128 6.282 5.682 932 H LYS 45 HN LYS 45 -11.462 5.558 11.386 933 HA LYS 45 HA LYS 45 -13.133 6.342 13.532 934 1HB LYS 45 HBR LYS 45 -12.347 3.994 12.926 935 2HB LYS 45 HBS LYS 45 -10.827 4.397 13.773 936 1HG LYS 45 HGR LYS 45 -12.299 3.171 15.270 937 2HG LYS 45 HGS LYS 45 -12.136 4.858 15.837 938 1HD LYS 45 HDS LYS 45 -14.302 5.215 14.394 939 2HD LYS 45 HDR LYS 45 -14.469 3.491 14.580 940 1HE LYS 45 HES LYS 45 -15.719 4.740 16.281 941 2HE LYS 45 HER LYS 45 -14.483 3.646 16.965 942 1HZ LYS 45 HZB LYS 45 -13.696 6.376 16.446 943 2HZ LYS 45 HZC LYS 45 -14.714 6.134 17.699 944 3HZ LYS 45 HZA LYS 45 -13.267 5.378 17.665 945 H LEU 46 HN LEU 46 -9.915 7.224 12.720 946 HA LEU 46 HA LEU 46 -9.144 8.043 15.376 947 1HB LEU 46 HBR LEU 46 -8.082 8.154 12.592 948 2HB LEU 46 HBS LEU 46 -7.425 9.320 13.776 949 HG LEU 46 HG LEU 46 -7.489 6.393 14.434 950 1HD1 LEU 46 HMD LEU 46 -5.871 7.733 12.350 951 2HD1 LEU 46 HMD LEU 46 -4.951 6.771 13.534 952 3HD1 LEU 46 HMD LEU 46 -6.250 6.008 12.584 953 1HD2 LEU 46 HMD LEU 46 -6.946 8.183 16.088 954 2HD2 LEU 46 HMD LEU 46 -5.613 7.032 15.812 955 3HD2 LEU 46 HMD LEU 46 -5.562 8.650 15.067 956 H ALA 47 HN ALA 47 -9.868 9.919 12.404 957 HA ALA 47 HA ALA 47 -10.238 12.401 13.626 958 1HB ALA 47 HMB ALA 47 -11.130 11.118 11.091 959 2HB ALA 47 HMB ALA 47 -11.944 12.621 11.593 960 3HB ALA 47 HMB ALA 47 -10.176 12.597 11.371 961 H ARG 48 HN ARG 48 -12.311 9.600 13.567 962 HA ARG 48 HA ARG 48 -14.679 10.986 14.432 963 1HB ARG 48 HBR ARG 48 -14.271 8.586 13.302 964 2HB ARG 48 HBS ARG 48 -14.348 8.084 15.016 965 1HG ARG 48 HGS ARG 48 -16.503 9.922 14.273 966 2HG ARG 48 HGR ARG 48 -16.499 8.425 13.298 967 1HD ARG 48 HDS ARG 48 -16.967 7.107 15.063 968 2HD ARG 48 HDR ARG 48 -16.076 8.142 16.215 969 HE ARG 48 HE ARG 48 -18.394 9.513 15.294 970 1HH1 ARG 48 HH1 ARG 48 -17.301 7.036 17.553 971 2HH1 ARG 48 HH1 ARG 48 -18.748 7.110 18.503 972 1HH2 ARG 48 HH2 ARG 48 -20.322 9.490 16.486 973 2HH2 ARG 48 HH2 ARG 48 -20.456 8.500 17.901 974 H HIS 49 HN HIS 49 -12.266 8.914 16.066 975 HA HIS 49 HA HIS 49 -13.189 9.284 18.720 976 1HB HIS 49 HBS HIS 49 -11.314 7.688 17.880 977 2HB HIS 49 HBR HIS 49 -10.239 9.105 18.051 978 HD1 HIS 49 HD1 HIS 49 -13.067 8.225 20.482 979 HD2 HIS 49 HD2 HIS 49 -8.907 8.290 20.294 980 HE1 HIS 49 HE1 HIS 49 -12.247 7.629 22.774 981 HE2 HIS 49 HE2 HIS 49 -9.729 7.645 22.660 982 H ALA 50 HN ALA 50 -11.097 11.232 16.625 983 HA ALA 50 HA ALA 50 -10.399 13.255 18.367 984 1HB ALA 50 HMB ALA 50 -9.945 12.859 15.811 985 2HB ALA 50 HMB ALA 50 -11.317 13.978 15.610 986 3HB ALA 50 HMB ALA 50 -9.871 14.494 16.515 987 H GLY 51 HN GLY 51 -13.431 12.943 16.507 988 1HA GLY 51 HAR GLY 51 -15.510 13.942 17.482 989 2HA GLY 51 HAS GLY 51 -14.502 15.337 17.947 990 H ARG 52 HN ARG 52 -14.030 13.582 14.935 991 HA ARG 52 HA ARG 52 -14.670 13.946 12.753 992 1HB ARG 52 HBR ARG 52 -16.486 16.218 13.451 993 2HB ARG 52 HBS ARG 52 -16.633 14.961 12.189 994 1HG ARG 52 HGS ARG 52 -17.206 13.307 13.937 995 2HG ARG 52 HGR ARG 52 -17.123 14.603 15.164 996 1HD ARG 52 HDS ARG 52 -18.806 15.805 13.579 997 2HD ARG 52 HDR ARG 52 -19.108 14.150 12.978 998 HE ARG 52 HE ARG 52 -20.230 13.687 14.938 999 1HH1 ARG 52 HH1 ARG 52 -18.050 16.385 15.569 1000 2HH1 ARG 52 HH1 ARG 52 -18.801 16.781 17.078 1001 1HH2 ARG 52 HH2 ARG 52 -21.266 14.315 16.854 1002 2HH2 ARG 52 HH2 ARG 52 -20.620 15.609 17.807 1003 H LYS 53 HN LYS 53 -12.744 14.698 12.101 1004 HA LYS 53 HA LYS 53 -12.703 17.623 11.629 1005 1HB LYS 53 HBR LYS 53 -10.824 16.398 13.271 1006 2HB LYS 53 HBS LYS 53 -10.027 16.450 11.673 1007 1HG LYS 53 HGR LYS 53 -10.554 18.905 11.570 1008 2HG LYS 53 HGS LYS 53 -11.156 18.794 13.250 1009 1HD LYS 53 HDS LYS 53 -8.367 17.973 12.465 1010 2HD LYS 53 HDR LYS 53 -8.785 19.620 12.850 1011 1HE LYS 53 HES LYS 53 -9.355 19.115 15.071 1012 2HE LYS 53 HER LYS 53 -9.404 17.363 14.724 1013 1HZ LYS 53 HZB LYS 53 -6.899 18.618 14.167 1014 2HZ LYS 53 HZC LYS 53 -7.312 18.650 15.747 1015 3HZ LYS 53 HZA LYS 53 -7.219 17.224 14.956 1016 H THR 54 HN THR 54 -10.806 17.930 9.887 1017 HA THR 54 HA THR 54 -11.465 16.233 7.585 1018 HB THR 54 HB THR 54 -9.554 18.617 7.889 1019 HG1 THR 54 HG1 THR 54 -11.923 18.148 6.644 1020 1HG2 THR 54 HMG THR 54 -9.901 16.726 5.673 1021 2HG2 THR 54 HMG THR 54 -10.096 18.436 5.209 1022 3HG2 THR 54 HMG THR 54 -8.598 17.895 6.010 1023 H ILE 55 HN ILE 55 -10.280 14.630 6.818 1024 HA ILE 55 HA ILE 55 -8.053 13.569 8.387 1025 HB ILE 55 HB ILE 55 -9.052 12.654 5.650 1026 1HG1 ILE 55 HG1 ILE 55 -10.944 12.843 7.198 1027 2HG1 ILE 55 HG1 ILE 55 -10.593 11.141 6.781 1028 1HG2 ILE 55 HMG ILE 55 -6.848 11.819 6.905 1029 2HG2 ILE 55 HMG ILE 55 -8.039 10.749 7.690 1030 3HG2 ILE 55 HMG ILE 55 -7.870 10.745 5.914 1031 1HD1 ILE 55 HMD ILE 55 -9.132 11.468 9.075 1032 2HD1 ILE 55 HMD ILE 55 -10.544 12.514 9.385 1033 3HD1 ILE 55 HMD ILE 55 -10.780 10.790 8.989 1034 H LYS 56 HN LYS 56 -5.941 13.638 7.890 1035 HA LYS 56 HA LYS 56 -5.078 15.317 5.611 1036 1HB LYS 56 HBR LYS 56 -3.909 15.939 8.293 1037 2HB LYS 56 HBS LYS 56 -4.059 16.954 6.830 1038 1HG LYS 56 HGR LYS 56 -6.077 17.774 7.448 1039 2HG LYS 56 HGS LYS 56 -6.629 16.205 8.102 1040 1HD LYS 56 HDS LYS 56 -6.555 17.628 9.938 1041 2HD LYS 56 HDR LYS 56 -5.180 16.565 10.065 1042 1HE LYS 56 HES LYS 56 -3.756 18.363 9.057 1043 2HE LYS 56 HER LYS 56 -5.174 19.440 9.196 1044 1HZ LYS 56 HZC LYS 56 -4.273 17.971 11.537 1045 2HZ LYS 56 HZA LYS 56 -3.447 19.304 11.082 1046 3HZ LYS 56 HZB LYS 56 -5.036 19.412 11.446 1047 H ALA 57 HN ALA 57 -2.636 15.444 5.596 1048 HA ALA 57 HA ALA 57 -1.573 12.908 5.393 1049 1HB ALA 57 HMB ALA 57 -0.744 15.052 4.358 1050 2HB ALA 57 HMB ALA 57 0.084 15.385 5.900 1051 3HB ALA 57 HMB ALA 57 0.513 13.939 4.953 1052 H GLU 58 HN GLU 58 -1.774 14.955 8.200 1053 HA GLU 58 HA GLU 58 0.062 13.540 9.925 1054 1HB GLU 58 HBR GLU 58 -1.390 15.803 10.052 1055 2HB GLU 58 HBS GLU 58 -2.507 14.760 10.744 1056 1HG GLU 58 HGS GLU 58 -1.608 14.914 12.724 1057 2HG GLU 58 HGR GLU 58 -0.122 14.110 12.148 1058 H ASP 59 HN ASP 59 -3.525 13.472 9.707 1059 HA ASP 59 HA ASP 59 -3.774 11.350 11.487 1060 1HB ASP 59 HBS ASP 59 -5.551 12.892 9.778 1061 2HB ASP 59 HBR ASP 59 -6.091 11.206 10.020 1062 H ILE 60 HN ILE 60 -2.817 11.281 8.226 1063 HA ILE 60 HA ILE 60 -3.598 8.542 7.769 1064 HB ILE 60 HB ILE 60 -1.870 10.532 6.225 1065 1HG1 ILE 60 HG1 ILE 60 -4.205 11.136 6.414 1066 2HG1 ILE 60 HG1 ILE 60 -3.824 10.661 4.734 1067 1HG2 ILE 60 HMG ILE 60 -2.406 7.661 5.665 1068 2HG2 ILE 60 HMG ILE 60 -2.495 8.806 4.300 1069 3HG2 ILE 60 HMG ILE 60 -0.998 8.677 5.262 1070 1HD1 ILE 60 HMD ILE 60 -4.782 8.383 5.298 1071 2HD1 ILE 60 HMD ILE 60 -5.385 9.111 6.811 1072 3HD1 ILE 60 HMD ILE 60 -5.946 9.732 5.237 1073 H GLU 61 HN GLU 61 -0.419 10.176 8.073 1074 HA GLU 61 HA GLU 61 1.126 7.758 8.437 1075 1HB GLU 61 HBR GLU 61 1.481 10.688 9.064 1076 2HB GLU 61 HBS GLU 61 2.565 9.532 9.615 1077 1HG GLU 61 HGS GLU 61 2.684 8.653 7.183 1078 2HG GLU 61 HGR GLU 61 2.121 10.280 6.716 1079 H LEU 62 HN LEU 62 -1.093 9.577 10.352 1080 HA LEU 62 HA LEU 62 -0.300 8.588 12.951 1081 1HB LEU 62 HBR LEU 62 -2.461 10.125 11.701 1082 2HB LEU 62 HBS LEU 62 -3.021 9.048 13.011 1083 HG LEU 62 HG LEU 62 -0.660 10.745 13.605 1084 1HD1 LEU 62 HMD LEU 62 -3.463 11.824 13.198 1085 2HD1 LEU 62 HMD LEU 62 -2.231 12.631 14.202 1086 3HD1 LEU 62 HMD LEU 62 -1.948 12.398 12.458 1087 1HD2 LEU 62 HMD LEU 62 -3.050 9.525 14.918 1088 2HD2 LEU 62 HMD LEU 62 -1.342 9.543 15.427 1089 3HD2 LEU 62 HMD LEU 62 -2.354 10.992 15.650 1090 H ALA 63 HN ALA 63 -3.057 7.700 10.834 1091 HA ALA 63 HA ALA 63 -3.638 5.319 12.138 1092 1HB ALA 63 HMB ALA 63 -4.132 6.196 9.285 1093 2HB ALA 63 HMB ALA 63 -4.811 4.708 9.992 1094 3HB ALA 63 HMB ALA 63 -5.234 6.297 10.682 1095 H VAL 64 HN VAL 64 -1.227 6.005 9.700 1096 HA VAL 64 HA VAL 64 -0.518 3.266 9.091 1097 HB VAL 64 HB VAL 64 0.835 5.945 8.782 1098 1HG1 VAL 64 HMG VAL 64 2.132 3.364 8.767 1099 2HG1 VAL 64 HMG VAL 64 2.208 4.116 7.156 1100 3HG1 VAL 64 HMG VAL 64 2.825 4.992 8.577 1101 1HG2 VAL 64 HMG VAL 64 -0.734 4.127 7.034 1102 2HG2 VAL 64 HMG VAL 64 -0.696 5.905 7.124 1103 3HG2 VAL 64 HMG VAL 64 0.616 5.026 6.299 1104 H ARG 65 HN ARG 65 1.427 5.697 10.833 1105 HA ARG 65 HA ARG 65 2.999 3.903 12.134 1106 1HB ARG 65 HBR ARG 65 2.205 6.721 12.846 1107 2HB ARG 65 HBS ARG 65 3.290 5.779 13.909 1108 1HG ARG 65 HGS ARG 65 5.025 5.815 12.408 1109 2HG ARG 65 HGR ARG 65 3.945 5.951 10.991 1110 1HD ARG 65 HDS ARG 65 5.335 7.980 11.602 1111 2HD ARG 65 HDR ARG 65 3.585 8.226 11.340 1112 HE ARG 65 HE ARG 65 4.685 7.910 14.083 1113 1HH1 ARG 65 HH1 ARG 65 3.187 9.958 11.636 1114 2HH1 ARG 65 HH1 ARG 65 2.538 11.063 12.801 1115 1HH2 ARG 65 HH2 ARG 65 3.712 9.304 15.583 1116 2HH2 ARG 65 HH2 ARG 65 2.836 10.694 15.035 1117 H ARG 66 HN ARG 66 -0.270 4.600 12.879 1118 HA ARG 66 HA ARG 66 -0.304 3.641 15.553 1119 1HB ARG 66 HBR ARG 66 -2.134 4.826 13.962 1120 2HB ARG 66 HBS ARG 66 -2.682 3.128 13.847 1121 1HG ARG 66 HGS ARG 66 -2.363 4.785 16.371 1122 2HG ARG 66 HGR ARG 66 -3.891 4.256 15.613 1123 1HD ARG 66 HDS ARG 66 -3.219 1.918 15.971 1124 2HD ARG 66 HDR ARG 66 -1.753 2.495 16.813 1125 HE ARG 66 HE ARG 66 -4.442 2.376 17.873 1126 1HH1 ARG 66 HH1 ARG 66 -1.229 3.792 18.200 1127 2HH1 ARG 66 HH1 ARG 66 -1.543 4.406 19.789 1128 1HH2 ARG 66 HH2 ARG 66 -4.858 3.306 19.897 1129 2HH2 ARG 66 HH2 ARG 66 -3.596 4.131 20.751 1130 H PHE 67 HN PHE 67 -1.028 2.006 12.449 1131 HA PHE 67 HA PHE 67 -1.185 -0.608 13.398 1132 1HB PHE 67 HBR PHE 67 0.182 0.130 10.779 1133 2HB PHE 67 HBS PHE 67 -0.622 -1.407 11.209 1134 HD1 PHE 67 HD1 PHE 67 -3.062 -1.077 12.081 1135 HD2 PHE 67 HD2 PHE 67 -1.112 1.561 9.361 1136 HE1 PHE 67 HE1 PHE 67 -5.249 -0.211 11.387 1137 HE2 PHE 67 HE2 PHE 67 -3.302 2.500 8.696 1138 HZ PHE 67 HZ PHE 67 -5.374 1.583 9.699 1139 H LYS 68 HN LYS 68 1.731 1.132 12.261 1140 HA LYS 68 HA LYS 68 3.974 0.699 12.513 1141 1HB LYS 68 HBR LYS 68 3.525 0.480 14.942 1142 2HB LYS 68 HBS LYS 68 3.156 -1.251 14.692 1143 1HG LYS 68 HGR LYS 68 5.621 -1.077 13.528 1144 2HG LYS 68 HGS LYS 68 5.766 0.156 14.813 1145 1HD LYS 68 HDS LYS 68 5.876 -1.340 16.432 1146 2HD LYS 68 HDR LYS 68 4.511 -2.229 15.812 1147 1HE LYS 68 HES LYS 68 7.214 -2.482 14.531 1148 2HE LYS 68 HER LYS 68 6.742 -3.432 15.968 1149 1HZ LYS 68 HZC LYS 68 4.770 -3.481 13.940 1150 2HZ LYS 68 HZA LYS 68 6.200 -4.055 13.395 1151 3HZ LYS 68 HZB LYS 68 5.500 -4.723 14.711 1152 H LYS 69 HN LYS 69 2.652 -2.477 13.460 1153 HA LYS 69 HA LYS 69 3.845 -3.738 11.061 1154 1HB LYS 69 HBR LYS 69 3.421 -4.640 13.667 1155 2HB LYS 69 HBS LYS 69 2.135 -5.428 12.710 1156 1HG LYS 69 HGR LYS 69 4.030 -6.086 11.076 1157 2HG LYS 69 HGS LYS 69 5.138 -5.656 12.410 1158 1HD LYS 69 HDS LYS 69 3.419 -7.233 13.742 1159 2HD LYS 69 HDR LYS 69 3.243 -7.912 12.148 1160 1HE LYS 69 HES LYS 69 6.036 -7.471 12.874 1161 2HE LYS 69 HER LYS 69 5.162 -8.591 13.957 1162 1HZ LYS 69 HZA LYS 69 5.062 -8.845 11.041 1163 2HZ LYS 69 HZB LYS 69 6.223 -9.568 11.931 1164 3HZ LYS 69 HZC LYS 69 4.654 -9.955 12.167 No H/Q in entry = 1164 Start of MODEL 8 Raw file had 1198 H/Q atoms Start of MODEL 8 1 1H MET 1 HNB MET 1 4.426 7.849 -11.129 2 2H MET 1 HN MET 1 3.815 7.787 -12.643 3 3H MET 1 HNC MET 1 4.570 9.138 -12.121 4 HA MET 1 HA MET 1 2.855 9.944 -11.059 5 1HB MET 1 HBS MET 1 2.003 8.244 -13.276 6 2HB MET 1 HBR MET 1 0.714 8.490 -12.063 7 1HG MET 1 HGS MET 1 1.229 10.985 -12.188 8 2HG MET 1 HGR MET 1 2.279 10.609 -13.576 9 1HE MET 1 HME MET 1 1.402 11.501 -15.429 10 2HE MET 1 HME MET 1 -0.211 11.336 -16.166 11 3HE MET 1 HME MET 1 0.037 12.461 -14.806 12 H GLU 2 HN GLU 2 1.041 9.634 -9.587 13 HA GLU 2 HA GLU 2 1.713 7.414 -7.752 14 1HB GLU 2 HBS GLU 2 0.149 9.928 -7.369 15 2HB GLU 2 HBR GLU 2 0.653 8.933 -6.116 16 1HG GLU 2 HGS GLU 2 2.198 10.799 -7.903 17 2HG GLU 2 HGR GLU 2 2.279 10.763 -6.122 18 H LEU 3 HN LEU 3 -0.001 6.496 -6.434 19 HA LEU 3 HA LEU 3 -2.174 5.456 -7.814 20 1HB LEU 3 HBR LEU 3 -2.138 5.915 -4.837 21 2HB LEU 3 HBS LEU 3 -2.830 4.549 -5.756 22 HG LEU 3 HG LEU 3 0.106 5.122 -5.272 23 1HD1 LEU 3 HMD LEU 3 -1.951 3.467 -3.966 24 2HD1 LEU 3 HMD LEU 3 -0.468 2.582 -4.405 25 3HD1 LEU 3 HMD LEU 3 -0.370 4.028 -3.366 26 1HD2 LEU 3 HMD LEU 3 -1.306 2.929 -6.828 27 2HD2 LEU 3 HMD LEU 3 -0.284 4.224 -7.504 28 3HD2 LEU 3 HMD LEU 3 0.437 2.976 -6.454 29 HA PRO 4 HA PRO 4 -4.962 8.978 -7.990 30 1HB PRO 4 HBR PRO 4 -6.626 7.227 -9.369 31 2HB PRO 4 HBS PRO 4 -5.953 8.620 -9.919 32 1HG PRO 4 HGS PRO 4 -5.267 6.177 -10.705 33 2HG PRO 4 HGR PRO 4 -4.364 7.555 -10.971 34 1HD PRO 4 HDS PRO 4 -3.903 5.489 -9.122 35 2HD PRO 4 HDR PRO 4 -2.834 6.611 -9.700 36 H ILE 5 HN ILE 5 -6.866 9.530 -7.017 37 HA ILE 5 HA ILE 5 -7.145 7.882 -4.620 38 HB ILE 5 HB ILE 5 -8.281 9.880 -3.691 39 1HG1 ILE 5 HG1 ILE 5 -7.879 11.921 -5.547 40 2HG1 ILE 5 HG1 ILE 5 -8.478 10.559 -6.536 41 1HG2 ILE 5 HMG ILE 5 -5.587 10.090 -4.931 42 2HG2 ILE 5 HMG ILE 5 -6.312 11.576 -4.263 43 3HG2 ILE 5 HMG ILE 5 -6.081 10.149 -3.219 44 1HD1 ILE 5 HMD ILE 5 -10.285 10.412 -4.603 45 2HD1 ILE 5 HMD ILE 5 -9.851 12.130 -4.398 46 3HD1 ILE 5 HMD ILE 5 -10.460 11.545 -5.969 47 H ALA 6 HN ALA 6 -8.458 7.319 -7.353 48 HA ALA 6 HA ALA 6 -11.295 7.225 -6.624 49 1HB ALA 6 HMB ALA 6 -9.626 6.593 -9.000 50 2HB ALA 6 HMB ALA 6 -11.103 5.623 -8.770 51 3HB ALA 6 HMB ALA 6 -11.211 7.398 -8.882 52 HA PRO 7 HA PRO 7 -10.010 2.537 -6.316 53 1HB PRO 7 HBS PRO 7 -7.334 2.252 -6.087 54 2HB PRO 7 HBR PRO 7 -8.233 1.777 -7.376 55 1HG PRO 7 HGS PRO 7 -6.534 3.977 -7.136 56 2HG PRO 7 HGR PRO 7 -7.104 3.262 -8.531 57 1HD PRO 7 HDR PRO 7 -7.954 5.604 -7.562 58 2HD PRO 7 HDS PRO 7 -8.764 4.697 -8.682 59 H ILE 8 HN ILE 8 -7.609 4.539 -4.782 60 HA ILE 8 HA ILE 8 -7.871 3.338 -2.249 61 HB ILE 8 HB ILE 8 -6.909 6.129 -3.041 62 1HG1 ILE 8 HG1 ILE 8 -5.370 3.561 -2.495 63 2HG1 ILE 8 HG1 ILE 8 -5.752 4.223 -4.109 64 1HG2 ILE 8 HMG ILE 8 -7.547 5.831 -0.592 65 2HG2 ILE 8 HMG ILE 8 -6.168 4.705 -0.491 66 3HG2 ILE 8 HMG ILE 8 -5.898 6.408 -0.948 67 1HD1 ILE 8 HMD ILE 8 -4.180 5.801 -2.070 68 2HD1 ILE 8 HMD ILE 8 -3.403 4.633 -3.171 69 3HD1 ILE 8 HMD ILE 8 -4.283 6.034 -3.836 70 H GLY 9 HN GLY 9 -9.591 6.040 -3.750 71 1HA GLY 9 HAS GLY 9 -11.065 6.973 -1.600 72 2HA GLY 9 HAR GLY 9 -11.657 6.952 -3.281 73 H ARG 10 HN ARG 10 -11.813 4.228 -3.767 74 HA ARG 10 HA ARG 10 -14.305 3.654 -2.500 75 1HB ARG 10 HBS ARG 10 -12.574 2.003 -4.366 76 2HB ARG 10 HBR ARG 10 -14.216 1.546 -3.828 77 1HG ARG 10 HGS ARG 10 -15.114 2.745 -5.468 78 2HG ARG 10 HGR ARG 10 -14.290 4.216 -4.877 79 1HD ARG 10 HDS ARG 10 -13.385 4.110 -6.938 80 2HD ARG 10 HDR ARG 10 -12.223 3.068 -6.069 81 HE ARG 10 HE ARG 10 -14.382 1.507 -7.105 82 1HH1 ARG 10 HH1 ARG 10 -11.677 3.421 -8.310 83 2HH1 ARG 10 HH1 ARG 10 -11.351 2.335 -9.620 84 1HH2 ARG 10 HH2 ARG 10 -13.844 0.045 -8.751 85 2HH2 ARG 10 HH2 ARG 10 -12.577 0.426 -9.871 86 H ILE 11 HN ILE 11 -11.011 2.468 -2.091 87 HA ILE 11 HA ILE 11 -11.541 0.270 -0.371 88 HB ILE 11 HB ILE 11 -9.152 2.168 -0.552 89 1HG1 ILE 11 HG1 ILE 11 -9.502 -0.634 -1.681 90 2HG1 ILE 11 HG1 ILE 11 -9.823 0.866 -2.596 91 1HG2 ILE 11 HMG ILE 11 -9.692 0.024 1.333 92 2HG2 ILE 11 HMG ILE 11 -8.214 -0.272 0.381 93 3HG2 ILE 11 HMG ILE 11 -8.387 1.239 1.311 94 1HD1 ILE 11 HMD ILE 11 -7.149 0.579 -1.306 95 2HD1 ILE 11 HMD ILE 11 -7.498 -0.429 -2.736 96 3HD1 ILE 11 HMD ILE 11 -7.610 1.347 -2.848 97 H ILE 12 HN ILE 12 -11.201 3.754 0.205 98 HA ILE 12 HA ILE 12 -11.122 3.295 3.082 99 HB ILE 12 HB ILE 12 -10.646 5.734 1.309 100 1HG1 ILE 12 HG1 ILE 12 -8.898 3.717 2.734 101 2HG1 ILE 12 HG1 ILE 12 -8.953 4.138 1.000 102 1HG2 ILE 12 HMG ILE 12 -11.286 5.773 4.062 103 2HG2 ILE 12 HMG ILE 12 -9.536 6.083 3.925 104 3HG2 ILE 12 HMG ILE 12 -10.694 7.109 3.039 105 1HD1 ILE 12 HMD ILE 12 -8.184 6.368 2.774 106 2HD1 ILE 12 HMD ILE 12 -7.057 4.985 2.778 107 3HD1 ILE 12 HMD ILE 12 -7.459 5.804 1.246 108 H LYS 13 HN LYS 13 -13.463 4.160 0.747 109 HA LYS 13 HA LYS 13 -15.433 5.241 2.623 110 1HB LYS 13 HBS LYS 13 -15.338 4.885 -0.147 111 2HB LYS 13 HBR LYS 13 -16.480 3.634 0.420 112 1HG LYS 13 HGR LYS 13 -16.996 6.199 1.704 113 2HG LYS 13 HGS LYS 13 -17.030 6.340 -0.077 114 1HD LYS 13 HDS LYS 13 -18.423 3.965 0.763 115 2HD LYS 13 HDR LYS 13 -19.011 5.342 1.655 116 1HE LYS 13 HES LYS 13 -20.247 4.879 -0.453 117 2HE LYS 13 HER LYS 13 -19.590 6.531 -0.293 118 1HZ LYS 13 HZB LYS 13 -17.808 4.715 -1.560 119 2HZ LYS 13 HZC LYS 13 -19.205 4.899 -2.385 120 3HZ LYS 13 HZA LYS 13 -18.288 6.202 -2.029 121 H ASP 14 HN ASP 14 -14.594 2.084 1.161 122 HA ASP 14 HA ASP 14 -16.150 0.512 2.729 123 1HB ASP 14 HBS ASP 14 -14.760 -0.136 0.746 124 2HB ASP 14 HBR ASP 14 -13.385 -0.311 1.876 125 H ALA 15 HN ALA 15 -12.950 1.777 3.534 126 HA ALA 15 HA ALA 15 -12.583 0.761 6.078 127 1HB ALA 15 HMB ALA 15 -11.194 2.435 4.660 128 2HB ALA 15 HMB ALA 15 -12.149 3.678 5.510 129 3HB ALA 15 HMB ALA 15 -11.140 2.540 6.438 130 H GLY 16 HN GLY 16 -14.621 3.497 5.086 131 1HA GLY 16 HAR GLY 16 -16.656 3.713 6.523 132 2HA GLY 16 HAS GLY 16 -15.546 3.830 7.914 133 H ALA 17 HN ALA 17 -14.379 5.274 5.027 134 HA ALA 17 HA ALA 17 -14.393 7.854 6.063 135 1HB ALA 17 HMB ALA 17 -12.894 6.790 4.312 136 2HB ALA 17 HMB ALA 17 -14.171 7.174 3.128 137 3HB ALA 17 HMB ALA 17 -13.371 8.484 4.032 138 H GLU 18 HN GLU 18 -15.420 9.770 5.441 139 HA GLU 18 HA GLU 18 -17.766 9.541 3.636 140 1HB GLU 18 HBS GLU 18 -18.897 11.135 5.118 141 2HB GLU 18 HBR GLU 18 -18.880 9.544 5.648 142 1HG GLU 18 HGS GLU 18 -17.716 10.087 7.548 143 2HG GLU 18 HGR GLU 18 -16.573 11.158 6.693 144 H ARG 19 HN ARG 19 -15.412 11.569 5.381 145 HA ARG 19 HA ARG 19 -15.358 13.513 3.158 146 1HB ARG 19 HBS ARG 19 -16.988 13.891 5.430 147 2HB ARG 19 HBR ARG 19 -15.549 14.922 5.669 148 1HG ARG 19 HGS ARG 19 -16.868 16.392 4.530 149 2HG ARG 19 HGR ARG 19 -16.076 15.591 3.144 150 1HD ARG 19 HDS ARG 19 -17.945 14.245 2.720 151 2HD ARG 19 HDR ARG 19 -18.681 14.630 4.301 152 HE ARG 19 HE ARG 19 -18.856 16.187 1.867 153 1HH1 ARG 19 HH1 ARG 19 -18.668 16.540 5.370 154 2HH1 ARG 19 HH1 ARG 19 -19.714 17.921 5.395 155 1HH2 ARG 19 HH2 ARG 19 -20.323 17.913 1.954 156 2HH2 ARG 19 HH2 ARG 19 -20.650 18.698 3.463 157 H VAL 20 HN VAL 20 -13.323 13.885 2.748 158 HA VAL 20 HA VAL 20 -11.424 14.222 4.955 159 HB VAL 20 HB VAL 20 -10.811 12.322 2.685 160 1HG1 VAL 20 HMG VAL 20 -9.224 13.468 4.910 161 2HG1 VAL 20 HMG VAL 20 -9.003 11.731 4.587 162 3HG1 VAL 20 HMG VAL 20 -8.723 12.920 3.292 163 1HG2 VAL 20 HMG VAL 20 -11.923 11.818 5.411 164 2HG2 VAL 20 HMG VAL 20 -12.272 11.018 3.859 165 3HG2 VAL 20 HMG VAL 20 -10.758 10.660 4.725 166 H SER 21 HN SER 21 -9.430 15.232 4.261 167 HA SER 21 HA SER 21 -9.793 17.002 1.926 168 1HB SER 21 HBS SER 21 -7.774 18.123 2.705 169 2HB SER 21 HBR SER 21 -9.028 18.052 3.976 170 HG SER 21 HG SER 21 -6.667 16.400 3.572 171 H ASP 22 HN ASP 22 -8.733 16.807 0.082 172 HA ASP 22 HA ASP 22 -7.779 14.254 -0.597 173 1HB ASP 22 HBS ASP 22 -7.133 15.317 -2.774 174 2HB ASP 22 HBR ASP 22 -8.841 15.465 -2.270 175 H ASP 23 HN ASP 23 -6.113 17.103 0.513 176 HA ASP 23 HA ASP 23 -3.485 16.337 -0.090 177 1HB ASP 23 HBR ASP 23 -4.681 18.075 2.033 178 2HB ASP 23 HBS ASP 23 -2.936 17.691 2.033 179 H ALA 24 HN ALA 24 -5.643 15.303 2.490 180 HA ALA 24 HA ALA 24 -3.763 13.592 3.856 181 1HB ALA 24 HMB ALA 24 -6.288 14.427 4.357 182 2HB ALA 24 HMB ALA 24 -6.605 12.795 3.715 183 3HB ALA 24 HMB ALA 24 -5.526 13.007 5.117 184 H ARG 25 HN ARG 25 -6.240 13.061 1.324 185 HA ARG 25 HA ARG 25 -5.809 10.275 1.184 186 1HB ARG 25 HBR ARG 25 -7.883 11.365 0.467 187 2HB ARG 25 HBS ARG 25 -7.019 12.120 -0.903 188 1HG ARG 25 HGS ARG 25 -7.971 10.338 -1.974 189 2HG ARG 25 HGR ARG 25 -6.429 9.594 -1.463 190 1HD ARG 25 HDS ARG 25 -9.169 9.299 -0.269 191 2HD ARG 25 HDR ARG 25 -8.071 8.042 -0.902 192 HE ARG 25 HE ARG 25 -6.854 8.110 1.104 193 1HH1 ARG 25 HH1 ARG 25 -9.608 10.312 1.153 194 2HH1 ARG 25 HH1 ARG 25 -9.418 10.685 2.833 195 1HH2 ARG 25 HH2 ARG 25 -6.551 8.734 3.262 196 2HH2 ARG 25 HH2 ARG 25 -7.684 9.800 4.026 197 H ILE 26 HN ILE 26 -4.057 12.906 -0.157 198 HA ILE 26 HA ILE 26 -2.760 11.312 -2.255 199 HB ILE 26 HB ILE 26 -2.260 14.133 -1.185 200 1HG1 ILE 26 HG1 ILE 26 -3.356 13.357 -3.901 201 2HG1 ILE 26 HG1 ILE 26 -4.410 13.518 -2.467 202 1HG2 ILE 26 HMG ILE 26 -0.380 12.606 -2.462 203 2HG2 ILE 26 HMG ILE 26 -1.146 13.476 -3.816 204 3HG2 ILE 26 HMG ILE 26 -0.443 14.388 -2.454 205 1HD1 ILE 26 HMD ILE 26 -3.014 15.871 -2.396 206 2HD1 ILE 26 HMD ILE 26 -3.153 15.581 -4.151 207 3HD1 ILE 26 HMD ILE 26 -4.621 15.650 -3.140 208 H THR 27 HN THR 27 -2.066 12.624 0.979 209 HA THR 27 HA THR 27 0.540 11.642 1.281 210 HB THR 27 HB THR 27 -1.663 12.026 3.382 211 HG1 THR 27 HG1 THR 27 -1.354 13.670 2.626 212 1HG2 THR 27 HMG THR 27 0.417 10.520 3.979 213 2HG2 THR 27 HMG THR 27 1.241 12.097 4.095 214 3HG2 THR 27 HMG THR 27 -0.183 11.759 5.111 215 H LEU 28 HN LEU 28 -2.587 10.031 1.658 216 HA LEU 28 HA LEU 28 -1.367 7.654 2.732 217 1HB LEU 28 HBS LEU 28 -3.534 8.717 3.386 218 2HB LEU 28 HBR LEU 28 -4.211 8.192 1.821 219 HG LEU 28 HG LEU 28 -4.208 5.934 2.443 220 1HD1 LEU 28 HMD LEU 28 -1.953 5.900 3.493 221 2HD1 LEU 28 HMD LEU 28 -2.648 6.680 4.937 222 3HD1 LEU 28 HMD LEU 28 -3.191 5.053 4.454 223 1HD2 LEU 28 HMD LEU 28 -5.247 7.984 4.252 224 2HD2 LEU 28 HMD LEU 28 -6.049 6.551 3.556 225 3HD2 LEU 28 HMD LEU 28 -5.065 6.394 5.035 226 H ALA 29 HN ALA 29 -2.663 8.668 -0.388 227 HA ALA 29 HA ALA 29 -2.344 6.173 -1.787 228 1HB ALA 29 HMB ALA 29 -2.143 9.045 -2.738 229 2HB ALA 29 HMB ALA 29 -2.243 7.601 -3.778 230 3HB ALA 29 HMB ALA 29 -3.608 8.031 -2.717 231 H LYS 30 HN LYS 30 -0.232 8.992 -1.182 232 HA LYS 30 HA LYS 30 2.090 7.980 -2.397 233 1HB LYS 30 HBR LYS 30 1.441 10.290 -1.090 234 2HB LYS 30 HBS LYS 30 2.533 9.510 0.088 235 1HG LYS 30 HGR LYS 30 4.366 9.634 -1.318 236 2HG LYS 30 HGS LYS 30 3.366 9.656 -2.798 237 1HD LYS 30 HDS LYS 30 2.714 11.979 -1.328 238 2HD LYS 30 HDR LYS 30 4.449 11.828 -1.270 239 1HE LYS 30 HES LYS 30 4.066 11.307 -3.885 240 2HE LYS 30 HER LYS 30 2.685 12.390 -3.550 241 1HZ LYS 30 HZC LYS 30 5.094 13.324 -2.401 242 2HZ LYS 30 HZA LYS 30 5.237 13.151 -4.018 243 3HZ LYS 30 HZB LYS 30 4.053 14.090 -3.399 244 H ILE 31 HN ILE 31 0.822 7.566 0.904 245 HA ILE 31 HA ILE 31 3.155 6.527 1.939 246 HB ILE 31 HB ILE 31 0.579 7.210 2.850 247 1HG1 ILE 31 HG1 ILE 31 2.435 6.297 4.929 248 2HG1 ILE 31 HG1 ILE 31 3.208 7.282 3.652 249 1HG2 ILE 31 HMG ILE 31 1.149 4.365 3.682 250 2HG2 ILE 31 HMG ILE 31 0.225 5.513 4.686 251 3HG2 ILE 31 HMG ILE 31 -0.358 5.085 3.057 252 1HD1 ILE 31 HMD ILE 31 0.630 8.211 4.868 253 2HD1 ILE 31 HMD ILE 31 2.150 8.427 5.776 254 3HD1 ILE 31 HMD ILE 31 1.965 9.157 4.159 255 H LEU 32 HN LEU 32 0.348 4.715 0.671 256 HA LEU 32 HA LEU 32 1.444 2.150 0.938 257 1HB LEU 32 HBR LEU 32 -0.603 3.435 -0.858 258 2HB LEU 32 HBS LEU 32 -0.171 1.710 -1.040 259 HG LEU 32 HG LEU 32 -0.709 1.815 1.615 260 1HD1 LEU 32 HMD LEU 32 -2.298 3.970 0.235 261 2HD1 LEU 32 HMD LEU 32 -3.010 3.034 1.573 262 3HD1 LEU 32 HMD LEU 32 -1.526 3.983 1.840 263 1HD2 LEU 32 HMD LEU 32 -2.454 1.329 -0.808 264 2HD2 LEU 32 HMD LEU 32 -1.569 0.144 0.187 265 3HD2 LEU 32 HMD LEU 32 -3.000 0.974 0.851 266 H GLU 33 HN GLU 33 1.404 4.229 -1.984 267 HA GLU 33 HA GLU 33 2.600 2.358 -3.657 268 1HB GLU 33 HBS GLU 33 1.353 4.404 -4.152 269 2HB GLU 33 HBR GLU 33 2.653 5.384 -3.745 270 1HG GLU 33 HGS GLU 33 3.012 3.186 -5.771 271 2HG GLU 33 HGR GLU 33 2.140 4.639 -6.327 272 H GLU 34 HN GLU 34 4.073 4.691 -1.467 273 HA GLU 34 HA GLU 34 6.822 4.386 -2.346 274 1HB GLU 34 HBR GLU 34 5.316 5.839 -0.458 275 2HB GLU 34 HBS GLU 34 6.259 4.799 0.460 276 1HG GLU 34 HGS GLU 34 8.238 5.554 -1.101 277 2HG GLU 34 HGR GLU 34 7.273 7.045 -1.273 278 H MET 35 HN MET 35 4.737 2.885 0.150 279 HA MET 35 HA MET 35 6.527 0.938 1.000 280 1HB MET 35 HBR MET 35 3.654 1.423 1.197 281 2HB MET 35 HBS MET 35 4.065 -0.317 1.182 282 1HG MET 35 HGS MET 35 5.540 -0.066 3.071 283 2HG MET 35 HGR MET 35 5.475 1.709 2.953 284 1HE MET 35 HME MET 35 4.920 2.341 4.864 285 2HE MET 35 HME MET 35 3.223 2.860 5.022 286 3HE MET 35 HME MET 35 3.859 1.566 6.069 287 H GLY 36 HN GLY 36 4.391 0.935 -1.814 288 1HA GLY 36 HAR GLY 36 4.549 -1.896 -2.259 289 2HA GLY 36 HAS GLY 36 3.857 -0.680 -3.367 290 H ARG 37 HN ARG 37 6.112 0.956 -3.723 291 HA ARG 37 HA ARG 37 7.909 -0.479 -5.469 292 1HB ARG 37 HBS ARG 37 7.450 1.994 -5.556 293 2HB ARG 37 HBR ARG 37 8.391 2.154 -4.045 294 1HG ARG 37 HGS ARG 37 9.676 0.763 -6.359 295 2HG ARG 37 HGR ARG 37 9.477 2.536 -6.446 296 1HD ARG 37 HDS ARG 37 10.430 2.356 -3.973 297 2HD ARG 37 HDR ARG 37 11.149 0.868 -4.651 298 HE ARG 37 HE ARG 37 11.767 2.739 -6.529 299 1HH1 ARG 37 HH1 ARG 37 12.362 2.388 -3.072 300 2HH1 ARG 37 HH1 ARG 37 13.709 3.476 -3.082 301 1HH2 ARG 37 HH2 ARG 37 13.450 4.255 -6.479 302 2HH2 ARG 37 HH2 ARG 37 14.327 4.532 -5.011 303 H ASP 38 HN ASP 38 7.720 0.237 -2.042 304 HA ASP 38 HA ASP 38 10.356 -0.457 -1.381 305 1HB ASP 38 HBS ASP 38 8.080 0.407 -0.015 306 2HB ASP 38 HBR ASP 38 8.564 -1.128 0.762 307 H ILE 39 HN ILE 39 7.421 -2.493 -1.109 308 HA ILE 39 HA ILE 39 8.840 -4.814 -0.266 309 HB ILE 39 HB ILE 39 6.150 -4.732 -1.715 310 1HG1 ILE 39 HG1 ILE 39 6.310 -4.654 1.277 311 2HG1 ILE 39 HG1 ILE 39 6.647 -3.149 0.377 312 1HG2 ILE 39 HMG ILE 39 7.131 -6.970 -1.370 313 2HG2 ILE 39 HMG ILE 39 7.178 -6.655 0.384 314 3HG2 ILE 39 HMG ILE 39 5.612 -6.724 -0.468 315 1HD1 ILE 39 HMD ILE 39 4.125 -4.821 0.173 316 2HD1 ILE 39 HMD ILE 39 4.300 -3.287 1.068 317 3HD1 ILE 39 HMD ILE 39 4.456 -3.305 -0.709 318 H ALA 40 HN ALA 40 8.240 -3.383 -3.386 319 HA ALA 40 HA ALA 40 8.472 -5.744 -5.008 320 1HB ALA 40 HMB ALA 40 8.094 -2.922 -5.381 321 2HB ALA 40 HMB ALA 40 9.397 -3.499 -6.449 322 3HB ALA 40 HMB ALA 40 7.794 -4.272 -6.505 323 H SER 41 HN SER 41 10.776 -3.082 -4.304 324 HA SER 41 HA SER 41 12.983 -4.349 -5.640 325 1HB SER 41 HBS SER 41 13.677 -2.479 -3.495 326 2HB SER 41 HBR SER 41 14.079 -2.453 -5.236 327 HG SER 41 HG SER 41 12.703 -0.993 -5.547 328 H GLU 42 HN GLU 42 11.589 -4.513 -2.439 329 HA GLU 42 HA GLU 42 13.634 -6.075 -1.144 330 1HB GLU 42 HBR GLU 42 10.621 -6.117 -0.872 331 2HB GLU 42 HBS GLU 42 11.725 -6.859 0.149 332 1HG GLU 42 HGS GLU 42 12.616 -4.946 1.061 333 2HG GLU 42 HGR GLU 42 12.007 -3.866 -0.223 334 H ALA 43 HN ALA 43 10.715 -6.870 -3.067 335 HA ALA 43 HA ALA 43 11.201 -9.700 -3.031 336 1HB ALA 43 HMB ALA 43 9.394 -7.876 -4.610 337 2HB ALA 43 HMB ALA 43 9.498 -9.624 -4.940 338 3HB ALA 43 HMB ALA 43 8.983 -9.049 -3.334 339 H ILE 44 HN ILE 44 12.526 -7.091 -4.817 340 HA ILE 44 HA ILE 44 12.978 -8.589 -7.196 341 HB ILE 44 HB ILE 44 12.745 -5.945 -6.543 342 1HG1 ILE 44 HG1 ILE 44 14.022 -6.108 -9.116 343 2HG1 ILE 44 HG1 ILE 44 13.048 -7.582 -8.840 344 1HG2 ILE 44 HMG ILE 44 15.670 -6.385 -6.679 345 2HG2 ILE 44 HMG ILE 44 15.003 -5.046 -7.650 346 3HG2 ILE 44 HMG ILE 44 14.703 -5.108 -5.894 347 1HD1 ILE 44 HMD ILE 44 11.317 -5.676 -7.990 348 2HD1 ILE 44 HMD ILE 44 12.202 -4.773 -9.248 349 3HD1 ILE 44 HMD ILE 44 11.376 -6.300 -9.660 350 H LYS 45 HN LYS 45 15.354 -7.153 -4.914 351 HA LYS 45 HA LYS 45 17.508 -8.851 -5.621 352 1HB LYS 45 HBR LYS 45 17.688 -6.767 -4.258 353 2HB LYS 45 HBS LYS 45 16.956 -7.651 -2.889 354 1HG LYS 45 HGR LYS 45 18.853 -8.871 -2.478 355 2HG LYS 45 HGS LYS 45 19.360 -8.867 -4.191 356 1HD LYS 45 HDS LYS 45 20.953 -7.547 -3.224 357 2HD LYS 45 HDR LYS 45 19.825 -6.407 -3.906 358 1HE LYS 45 HES LYS 45 20.396 -5.574 -1.779 359 2HE LYS 45 HER LYS 45 18.735 -6.221 -1.670 360 1HZ LYS 45 HZB LYS 45 20.801 -8.096 -1.044 361 2HZ LYS 45 HZC LYS 45 20.703 -6.843 -0.002 362 3HZ LYS 45 HZA LYS 45 19.397 -7.787 -0.268 363 H LEU 46 HN LEU 46 14.634 -9.414 -3.775 364 HA LEU 46 HA LEU 46 15.393 -11.847 -2.449 365 1HB LEU 46 HBR LEU 46 13.004 -10.288 -3.095 366 2HB LEU 46 HBS LEU 46 12.726 -12.050 -3.192 367 HG LEU 46 HG LEU 46 13.372 -12.330 -0.888 368 1HD1 LEU 46 HMD LEU 46 14.809 -9.982 -1.329 369 2HD1 LEU 46 HMD LEU 46 13.529 -9.505 -0.186 370 3HD1 LEU 46 HMD LEU 46 14.627 -10.848 0.218 371 1HD2 LEU 46 HMD LEU 46 11.482 -9.983 -1.252 372 2HD2 LEU 46 HMD LEU 46 11.050 -11.710 -1.323 373 3HD2 LEU 46 HMD LEU 46 11.616 -10.996 0.208 374 H ALA 47 HN ALA 47 14.082 -11.066 -5.674 375 HA ALA 47 HA ALA 47 13.860 -13.696 -6.634 376 1HB ALA 47 HMB ALA 47 12.999 -11.516 -7.640 377 2HB ALA 47 HMB ALA 47 14.625 -11.334 -8.349 378 3HB ALA 47 HMB ALA 47 13.625 -12.751 -8.763 379 H ARG 48 HN ARG 48 16.511 -11.350 -7.234 380 HA ARG 48 HA ARG 48 17.950 -13.189 -8.828 381 1HB ARG 48 HBR ARG 48 19.694 -11.551 -8.918 382 2HB ARG 48 HBS ARG 48 18.114 -10.723 -9.010 383 1HG ARG 48 HGS ARG 48 18.419 -9.620 -7.050 384 2HG ARG 48 HGR ARG 48 19.334 -10.963 -6.307 385 1HD ARG 48 HDS ARG 48 21.041 -10.228 -8.255 386 2HD ARG 48 HDR ARG 48 20.254 -8.662 -7.908 387 HE ARG 48 HE ARG 48 21.777 -10.309 -5.956 388 1HH1 ARG 48 HH1 ARG 48 20.074 -7.319 -6.724 389 2HH1 ARG 48 HH1 ARG 48 20.917 -6.401 -5.521 390 1HH2 ARG 48 HH2 ARG 48 22.935 -9.053 -4.467 391 2HH2 ARG 48 HH2 ARG 48 22.529 -7.385 -4.236 392 H HIS 49 HN HIS 49 18.086 -12.405 -5.404 393 HA HIS 49 HA HIS 49 20.438 -13.838 -4.709 394 1HB HIS 49 HBS HIS 49 18.993 -12.346 -3.163 395 2HB HIS 49 HBR HIS 49 17.963 -13.791 -2.955 396 HD1 HIS 49 HD1 HIS 49 18.596 -14.961 -0.804 397 HD2 HIS 49 HD2 HIS 49 21.885 -13.245 -2.699 398 HE1 HIS 49 HE1 HIS 49 20.569 -15.386 0.682 399 HE2 HIS 49 HE2 HIS 49 22.559 -14.330 -0.449 400 H ALA 50 HN ALA 50 17.047 -14.848 -5.113 401 HA ALA 50 HA ALA 50 17.441 -17.670 -4.875 402 1HB ALA 50 HMB ALA 50 15.323 -16.006 -5.361 403 2HB ALA 50 HMB ALA 50 15.596 -16.735 -6.964 404 3HB ALA 50 HMB ALA 50 15.305 -17.778 -5.548 405 H GLY 51 HN GLY 51 17.760 -15.373 -7.580 406 1HA GLY 51 HAR GLY 51 19.364 -16.060 -9.379 407 2HA GLY 51 HAS GLY 51 18.546 -17.644 -9.369 408 H ARG 52 HN ARG 52 16.676 -14.737 -8.864 409 HA ARG 52 HA ARG 52 15.530 -13.290 -10.218 410 1HB ARG 52 HBR ARG 52 17.484 -13.166 -11.680 411 2HB ARG 52 HBS ARG 52 16.955 -14.642 -12.537 412 1HG ARG 52 HGS ARG 52 14.749 -12.923 -12.650 413 2HG ARG 52 HGR ARG 52 16.167 -11.871 -12.926 414 1HD ARG 52 HDS ARG 52 15.266 -14.292 -14.460 415 2HD ARG 52 HDR ARG 52 15.538 -12.625 -15.040 416 HE ARG 52 HE ARG 52 18.013 -13.253 -14.286 417 1HH1 ARG 52 HH1 ARG 52 15.691 -15.455 -15.767 418 2HH1 ARG 52 HH1 ARG 52 16.899 -16.277 -16.696 419 1HH2 ARG 52 HH2 ARG 52 19.543 -14.262 -15.619 420 2HH2 ARG 52 HH2 ARG 52 19.079 -15.601 -16.616 421 H LYS 53 HN LYS 53 15.596 -15.812 -12.688 422 HA LYS 53 HA LYS 53 14.003 -17.236 -13.504 423 1HB LYS 53 HBS LYS 53 13.161 -17.279 -10.587 424 2HB LYS 53 HBR LYS 53 12.507 -18.346 -11.862 425 1HG LYS 53 HGR LYS 53 15.480 -18.226 -11.372 426 2HG LYS 53 HGS LYS 53 14.433 -19.196 -10.296 427 1HD LYS 53 HDS LYS 53 14.155 -20.805 -11.783 428 2HD LYS 53 HDR LYS 53 13.808 -19.674 -13.063 429 1HE LYS 53 HES LYS 53 15.827 -19.855 -13.951 430 2HE LYS 53 HER LYS 53 16.611 -19.621 -12.363 431 1HZ LYS 53 HZC LYS 53 15.658 -22.071 -12.134 432 2HZ LYS 53 HZA LYS 53 15.959 -22.054 -13.738 433 3HZ LYS 53 HZB LYS 53 17.162 -21.740 -12.677 434 H THR 54 HN THR 54 11.921 -15.935 -10.941 435 HA THR 54 HA THR 54 11.002 -13.748 -12.546 436 HB THR 54 HB THR 54 8.786 -15.728 -11.826 437 HG1 THR 54 HG1 THR 54 10.089 -15.229 -14.159 438 1HG2 THR 54 HMG THR 54 8.859 -13.398 -13.763 439 2HG2 THR 54 HMG THR 54 7.482 -14.500 -13.506 440 3HG2 THR 54 HMG THR 54 8.043 -13.450 -12.180 441 H ILE 55 HN ILE 55 9.317 -12.489 -11.347 442 HA ILE 55 HA ILE 55 9.655 -12.666 -8.418 443 HB ILE 55 HB ILE 55 7.984 -10.698 -10.054 444 1HG1 ILE 55 HG1 ILE 55 10.440 -10.788 -10.666 445 2HG1 ILE 55 HG1 ILE 55 9.813 -9.200 -10.140 446 1HG2 ILE 55 HMG ILE 55 8.220 -11.129 -7.259 447 2HG2 ILE 55 HMG ILE 55 9.016 -9.580 -7.645 448 3HG2 ILE 55 HMG ILE 55 7.320 -9.856 -8.125 449 1HD1 ILE 55 HMD ILE 55 11.021 -10.912 -8.034 450 2HD1 ILE 55 HMD ILE 55 12.130 -10.251 -9.264 451 3HD1 ILE 55 HMD ILE 55 11.120 -9.150 -8.290 452 H LYS 56 HN LYS 56 8.107 -13.324 -7.050 453 HA LYS 56 HA LYS 56 5.616 -14.491 -8.171 454 1HB LYS 56 HBR LYS 56 7.986 -15.966 -7.707 455 2HB LYS 56 HBS LYS 56 6.875 -16.344 -6.360 456 1HG LYS 56 HGR LYS 56 5.547 -17.592 -7.672 457 2HG LYS 56 HGS LYS 56 5.532 -16.360 -8.967 458 1HD LYS 56 HDS LYS 56 7.907 -17.186 -9.501 459 2HD LYS 56 HDR LYS 56 7.520 -18.553 -8.494 460 1HE LYS 56 HES LYS 56 6.259 -19.527 -10.042 461 2HE LYS 56 HER LYS 56 5.430 -17.993 -10.432 462 1HZ LYS 56 HZA LYS 56 8.155 -18.174 -11.301 463 2HZ LYS 56 HZB LYS 56 7.136 -19.211 -12.045 464 3HZ LYS 56 HZC LYS 56 6.841 -17.606 -12.087 465 H ALA 57 HN ALA 57 4.111 -15.149 -6.569 466 HA ALA 57 HA ALA 57 3.740 -13.161 -4.638 467 1HB ALA 57 HMB ALA 57 2.449 -15.795 -5.242 468 2HB ALA 57 HMB ALA 57 2.015 -14.929 -3.747 469 3HB ALA 57 HMB ALA 57 1.789 -14.143 -5.330 470 H GLU 58 HN GLU 58 5.294 -16.297 -4.417 471 HA GLU 58 HA GLU 58 5.618 -16.429 -1.557 472 1HB GLU 58 HBR GLU 58 6.907 -17.547 -4.013 473 2HB GLU 58 HBS GLU 58 7.808 -17.525 -2.597 474 1HG GLU 58 HGS GLU 58 5.047 -18.628 -2.448 475 2HG GLU 58 HGR GLU 58 6.343 -19.694 -3.056 476 H ASP 59 HN ASP 59 7.576 -15.091 -4.242 477 HA ASP 59 HA ASP 59 9.549 -13.970 -2.606 478 1HB ASP 59 HBS ASP 59 8.781 -13.792 -5.428 479 2HB ASP 59 HBR ASP 59 9.635 -12.359 -4.788 480 H ILE 60 HN ILE 60 6.461 -12.654 -3.687 481 HA ILE 60 HA ILE 60 6.938 -9.934 -2.855 482 HB ILE 60 HB ILE 60 4.364 -11.515 -3.332 483 1HG1 ILE 60 HG1 ILE 60 5.814 -11.345 -5.287 484 2HG1 ILE 60 HG1 ILE 60 4.320 -10.390 -5.505 485 1HG2 ILE 60 HMG ILE 60 4.781 -8.573 -2.810 486 2HG2 ILE 60 HMG ILE 60 3.332 -9.222 -3.622 487 3HG2 ILE 60 HMG ILE 60 3.717 -9.719 -1.953 488 1HD1 ILE 60 HMD ILE 60 6.060 -8.524 -4.487 489 2HD1 ILE 60 HMD ILE 60 7.130 -9.539 -5.489 490 3HD1 ILE 60 HMD ILE 60 5.694 -8.771 -6.215 491 H GLU 61 HN GLU 61 5.247 -12.731 -1.396 492 HA GLU 61 HA GLU 61 4.692 -11.413 1.055 493 1HB GLU 61 HBR GLU 61 4.101 -13.797 -0.254 494 2HB GLU 61 HBS GLU 61 5.057 -14.304 1.029 495 1HG GLU 61 HGS GLU 61 3.553 -12.742 2.508 496 2HG GLU 61 HGR GLU 61 2.327 -13.044 1.248 497 H LEU 62 HN LEU 62 7.455 -13.247 -0.112 498 HA LEU 62 HA LEU 62 8.865 -13.426 2.398 499 1HB LEU 62 HBR LEU 62 9.323 -13.884 -0.479 500 2HB LEU 62 HBS LEU 62 10.767 -13.361 0.434 501 HG LEU 62 HG LEU 62 10.443 -15.263 1.975 502 1HD1 LEU 62 HMD LEU 62 7.917 -15.297 1.335 503 2HD1 LEU 62 HMD LEU 62 8.448 -16.353 0.001 504 3HD1 LEU 62 HMD LEU 62 8.750 -16.832 1.690 505 1HD2 LEU 62 HMD LEU 62 10.701 -15.784 -0.992 506 2HD2 LEU 62 HMD LEU 62 11.987 -15.653 0.233 507 3HD2 LEU 62 HMD LEU 62 10.906 -17.069 0.223 508 H ALA 63 HN ALA 63 8.903 -11.129 -0.342 509 HA ALA 63 HA ALA 63 10.713 -9.309 0.680 510 1HB ALA 63 HMB ALA 63 8.962 -9.461 -1.494 511 2HB ALA 63 HMB ALA 63 8.543 -7.941 -0.662 512 3HB ALA 63 HMB ALA 63 10.219 -8.235 -1.192 513 H VAL 64 HN VAL 64 7.171 -9.364 1.161 514 HA VAL 64 HA VAL 64 7.302 -7.001 2.710 515 HB VAL 64 HB VAL 64 5.482 -8.293 1.181 516 1HG1 VAL 64 HMG VAL 64 4.370 -8.512 3.995 517 2HG1 VAL 64 HMG VAL 64 3.416 -8.610 2.497 518 3HG1 VAL 64 HMG VAL 64 4.668 -9.829 2.836 519 1HG2 VAL 64 HMG VAL 64 5.717 -5.814 2.562 520 2HG2 VAL 64 HMG VAL 64 4.819 -6.213 1.077 521 3HG2 VAL 64 HMG VAL 64 4.025 -6.358 2.664 522 H ARG 65 HN ARG 65 6.264 -10.293 3.699 523 HA ARG 65 HA ARG 65 6.247 -9.898 6.409 524 1HB ARG 65 HBR ARG 65 5.687 -11.999 4.989 525 2HB ARG 65 HBS ARG 65 7.384 -12.461 5.308 526 1HG ARG 65 HGS ARG 65 5.650 -11.673 7.622 527 2HG ARG 65 HGR ARG 65 5.400 -13.274 6.868 528 1HD ARG 65 HDS ARG 65 8.176 -12.937 7.139 529 2HD ARG 65 HDR ARG 65 7.444 -12.389 8.672 530 HE ARG 65 HE ARG 65 6.451 -14.578 8.920 531 1HH1 ARG 65 HH1 ARG 65 8.531 -14.351 6.083 532 2HH1 ARG 65 HH1 ARG 65 8.920 -16.039 6.098 533 1HH2 ARG 65 HH2 ARG 65 7.063 -16.760 8.969 534 2HH2 ARG 65 HH2 ARG 65 8.081 -17.405 7.724 535 H ARG 66 HN ARG 66 9.045 -10.197 4.342 536 HA ARG 66 HA ARG 66 11.001 -10.462 6.489 537 1HB ARG 66 HBR ARG 66 11.575 -11.160 4.225 538 2HB ARG 66 HBS ARG 66 11.281 -9.503 3.621 539 1HG ARG 66 HGS ARG 66 13.183 -8.650 4.758 540 2HG ARG 66 HGR ARG 66 13.371 -10.144 5.719 541 1HD ARG 66 HDS ARG 66 13.416 -10.457 2.785 542 2HD ARG 66 HDR ARG 66 14.788 -9.574 3.510 543 HE ARG 66 HE ARG 66 14.413 -12.370 3.553 544 1HH1 ARG 66 HH1 ARG 66 15.502 -9.713 5.599 545 2HH1 ARG 66 HH1 ARG 66 16.340 -10.758 6.697 546 1HH2 ARG 66 HH2 ARG 66 15.409 -13.714 5.082 547 2HH2 ARG 66 HH2 ARG 66 16.286 -13.022 6.406 548 H PHE 67 HN PHE 67 9.405 -7.883 4.655 549 HA PHE 67 HA PHE 67 10.743 -5.664 5.855 550 1HB PHE 67 HBS PHE 67 8.677 -5.936 3.978 551 2HB PHE 67 HBR PHE 67 7.898 -5.166 5.390 552 HD1 PHE 67 HD2 PHE 67 11.488 -4.650 4.433 553 HD2 PHE 67 HD1 PHE 67 7.508 -3.125 4.399 554 HE1 PHE 67 HE2 PHE 67 12.326 -2.494 3.556 555 HE2 PHE 67 HE1 PHE 67 8.314 -0.988 3.504 556 HZ PHE 67 HZ PHE 67 10.733 -0.630 3.188 557 H LYS 68 HN LYS 68 8.242 -7.869 6.916 558 HA LYS 68 HA LYS 68 7.503 -8.363 9.025 559 1HB LYS 68 HBS LYS 68 10.144 -7.086 9.383 560 2HB LYS 68 HBR LYS 68 9.086 -7.056 10.823 561 1HG LYS 68 HGR LYS 68 9.459 -9.225 11.239 562 2HG LYS 68 HGS LYS 68 9.080 -9.680 9.554 563 1HD LYS 68 HDS LYS 68 11.503 -8.607 9.175 564 2HD LYS 68 HDR LYS 68 11.685 -9.094 10.837 565 1HE LYS 68 HES LYS 68 10.642 -11.035 8.804 566 2HE LYS 68 HER LYS 68 12.390 -10.727 9.008 567 1HZ LYS 68 HZA LYS 68 11.878 -11.168 11.446 568 2HZ LYS 68 HZB LYS 68 10.507 -11.879 10.916 569 3HZ LYS 68 HZC LYS 68 11.961 -12.447 10.434 570 H LYS 69 HN LYS 69 6.749 -7.414 11.134 571 HA LYS 69 HA LYS 69 5.544 -5.910 12.370 572 1HB LYS 69 HBR LYS 69 7.270 -3.921 10.858 573 2HB LYS 69 HBS LYS 69 6.310 -3.582 12.326 574 1HG LYS 69 HGR LYS 69 7.727 -4.854 13.698 575 2HG LYS 69 HGS LYS 69 8.432 -5.736 12.313 576 1HD LYS 69 HDS LYS 69 9.318 -3.430 11.575 577 2HD LYS 69 HDR LYS 69 8.940 -2.919 13.197 578 1HE LYS 69 HES LYS 69 10.603 -5.372 12.781 579 2HE LYS 69 HER LYS 69 11.316 -3.739 12.649 580 1HZ LYS 69 HZB LYS 69 10.346 -3.327 14.872 581 2HZ LYS 69 HZC LYS 69 9.977 -4.914 14.982 582 3HZ LYS 69 HZA LYS 69 11.537 -4.445 14.858 583 1H MET 1 HNC MET 1 -10.217 -4.815 -9.614 584 2H MET 1 HNB MET 1 -10.611 -6.375 -9.894 585 3H MET 1 HN MET 1 -11.787 -5.255 -9.719 586 HA MET 1 HA MET 1 -11.589 -5.069 -7.511 587 1HB MET 1 HBS MET 1 -12.195 -7.442 -8.437 588 2HB MET 1 HBR MET 1 -10.625 -7.908 -7.722 589 1HG MET 1 HGS MET 1 -11.354 -7.062 -5.526 590 2HG MET 1 HGR MET 1 -12.887 -6.507 -6.242 591 1HE MET 1 HME MET 1 -14.286 -7.789 -7.559 592 2HE MET 1 HME MET 1 -14.131 -9.512 -7.983 593 3HE MET 1 HME MET 1 -15.112 -9.026 -6.578 594 H GLU 2 HN GLU 2 -10.341 -5.078 -5.604 595 HA GLU 2 HA GLU 2 -8.503 -4.331 -4.456 596 1HB GLU 2 HBR GLU 2 -6.893 -6.055 -6.332 597 2HB GLU 2 HBS GLU 2 -6.487 -5.492 -4.805 598 1HG GLU 2 HGS GLU 2 -8.980 -6.975 -4.706 599 2HG GLU 2 HGR GLU 2 -7.627 -8.014 -5.230 600 H LEU 3 HN LEU 3 -5.951 -3.731 -5.138 601 HA LEU 3 HA LEU 3 -6.124 -1.394 -6.787 602 1HB LEU 3 HBR LEU 3 -3.547 -2.778 -6.120 603 2HB LEU 3 HBS LEU 3 -3.938 -1.035 -6.153 604 HG LEU 3 HG LEU 3 -4.733 -3.028 -4.014 605 1HD1 LEU 3 HMD LEU 3 -2.801 -0.686 -4.020 606 2HD1 LEU 3 HMD LEU 3 -3.254 -1.661 -2.598 607 3HD1 LEU 3 HMD LEU 3 -2.368 -2.413 -3.947 608 1HD2 LEU 3 HMD LEU 3 -5.484 -0.199 -4.649 609 2HD2 LEU 3 HMD LEU 3 -6.471 -1.523 -3.981 610 3HD2 LEU 3 HMD LEU 3 -5.299 -0.672 -2.941 611 HA PRO 4 HA PRO 4 -5.394 -3.028 -10.809 612 1HB PRO 4 HBR PRO 4 -4.386 -0.691 -11.761 613 2HB PRO 4 HBS PRO 4 -5.928 -1.223 -11.939 614 1HG PRO 4 HGS PRO 4 -5.093 0.875 -10.439 615 2HG PRO 4 HGR PRO 4 -6.654 0.302 -10.575 616 1HD PRO 4 HDS PRO 4 -4.857 -0.052 -8.464 617 2HD PRO 4 HDR PRO 4 -6.484 -0.350 -8.486 618 H ILE 5 HN ILE 5 -3.852 -3.938 -12.020 619 HA ILE 5 HA ILE 5 -1.392 -4.204 -10.486 620 HB ILE 5 HB ILE 5 -1.001 -6.162 -11.981 621 1HG1 ILE 5 HG1 ILE 5 -3.502 -6.423 -13.305 622 2HG1 ILE 5 HG1 ILE 5 -2.927 -4.761 -13.618 623 1HG2 ILE 5 HMG ILE 5 -3.022 -5.893 -10.055 624 2HG2 ILE 5 HMG ILE 5 -3.735 -6.845 -11.384 625 3HG2 ILE 5 HMG ILE 5 -2.224 -7.390 -10.608 626 1HD1 ILE 5 HMD ILE 5 -0.754 -6.625 -13.948 627 2HD1 ILE 5 HMD ILE 5 -2.157 -7.142 -14.920 628 3HD1 ILE 5 HMD ILE 5 -1.481 -5.505 -15.131 629 H ALA 6 HN ALA 6 -2.443 -2.592 -13.337 630 HA ALA 6 HA ALA 6 0.012 -2.708 -14.870 631 1HB ALA 6 HMB ALA 6 -2.443 -0.943 -14.940 632 2HB ALA 6 HMB ALA 6 -1.047 -0.712 -16.022 633 3HB ALA 6 HMB ALA 6 -1.972 -2.235 -16.073 634 HA PRO 7 HA PRO 7 0.525 1.659 -12.681 635 1HB PRO 7 HBR PRO 7 -0.848 1.647 -10.344 636 2HB PRO 7 HBS PRO 7 -1.168 2.599 -11.644 637 1HG PRO 7 HGS PRO 7 -2.545 0.338 -10.776 638 2HG PRO 7 HGR PRO 7 -3.073 1.547 -11.799 639 1HD PRO 7 HDS PRO 7 -2.397 -0.909 -12.589 640 2HD PRO 7 HDR PRO 7 -2.486 0.407 -13.587 641 H ILE 8 HN ILE 8 -0.209 -0.813 -10.337 642 HA ILE 8 HA ILE 8 2.152 -0.610 -8.880 643 HB ILE 8 HB ILE 8 0.404 -3.059 -9.424 644 1HG1 ILE 8 HG1 ILE 8 0.379 -0.912 -7.273 645 2HG1 ILE 8 HG1 ILE 8 -0.868 -1.247 -8.508 646 1HG2 ILE 8 HMG ILE 8 2.818 -2.743 -7.768 647 2HG2 ILE 8 HMG ILE 8 1.418 -3.474 -6.937 648 3HG2 ILE 8 HMG ILE 8 2.050 -4.209 -8.435 649 1HD1 ILE 8 HMD ILE 8 -0.378 -3.598 -6.896 650 2HD1 ILE 8 HMD ILE 8 -0.769 -2.194 -5.868 651 3HD1 ILE 8 HMD ILE 8 -1.890 -2.691 -7.163 652 H GLY 9 HN GLY 9 1.483 -2.446 -11.841 653 1HA GLY 9 HAR GLY 9 3.741 -4.002 -11.968 654 2HA GLY 9 HAS GLY 9 2.891 -3.387 -13.411 655 H ARG 10 HN ARG 10 3.388 -0.595 -12.886 656 HA ARG 10 HA ARG 10 6.128 -0.377 -13.775 657 1HB ARG 10 HBR ARG 10 4.289 1.910 -13.041 658 2HB ARG 10 HBS ARG 10 5.672 1.903 -14.172 659 1HG ARG 10 HGS ARG 10 4.464 0.910 -15.862 660 2HG ARG 10 HGR ARG 10 3.322 0.124 -14.736 661 1HD ARG 10 HDS ARG 10 2.170 1.850 -15.895 662 2HD ARG 10 HDR ARG 10 2.407 2.365 -14.201 663 HE ARG 10 HE ARG 10 3.835 3.435 -16.571 664 1HH1 ARG 10 HH1 ARG 10 3.343 3.482 -13.080 665 2HH1 ARG 10 HH1 ARG 10 3.890 5.118 -12.916 666 1HH2 ARG 10 HH2 ARG 10 4.420 5.612 -16.335 667 2HH2 ARG 10 HH2 ARG 10 4.501 6.323 -14.757 668 H ILE 11 HN ILE 11 4.380 0.172 -10.779 669 HA ILE 11 HA ILE 11 6.370 1.594 -9.346 670 HB ILE 11 HB ILE 11 4.271 -0.412 -8.387 671 1HG1 ILE 11 HG1 ILE 11 4.256 2.624 -8.570 672 2HG1 ILE 11 HG1 ILE 11 3.346 1.486 -9.602 673 1HG2 ILE 11 HMG ILE 11 5.869 1.587 -6.773 674 2HG2 ILE 11 HMG ILE 11 4.491 0.626 -6.175 675 3HG2 ILE 11 HMG ILE 11 5.989 -0.191 -6.694 676 1HD1 ILE 11 HMD ILE 11 2.953 1.593 -6.611 677 2HD1 ILE 11 HMD ILE 11 2.071 2.670 -7.727 678 3HD1 ILE 11 HMD ILE 11 1.883 0.901 -7.859 679 H ILE 12 HN ILE 12 5.691 -1.927 -9.417 680 HA ILE 12 HA ILE 12 8.039 -2.711 -8.083 681 HB ILE 12 HB ILE 12 6.644 -4.377 -10.223 682 1HG1 ILE 12 HG1 ILE 12 4.823 -3.484 -9.023 683 2HG1 ILE 12 HG1 ILE 12 5.089 -5.120 -8.359 684 1HG2 ILE 12 HMG ILE 12 8.516 -4.916 -8.035 685 2HG2 ILE 12 HMG ILE 12 7.102 -6.003 -8.071 686 3HG2 ILE 12 HMG ILE 12 8.147 -5.853 -9.509 687 1HD1 ILE 12 HMD ILE 12 6.192 -2.635 -7.039 688 2HD1 ILE 12 HMD ILE 12 4.562 -3.272 -6.696 689 3HD1 ILE 12 HMD ILE 12 6.000 -4.270 -6.355 690 H LYS 13 HN LYS 13 7.411 -2.007 -11.484 691 HA LYS 13 HA LYS 13 9.856 -3.057 -12.565 692 1HB LYS 13 HBR LYS 13 7.726 -1.165 -13.460 693 2HB LYS 13 HBS LYS 13 9.322 -1.059 -14.256 694 1HG LYS 13 HGR LYS 13 8.946 -3.728 -14.389 695 2HG LYS 13 HGS LYS 13 7.241 -3.195 -14.391 696 1HD LYS 13 HDS LYS 13 7.482 -3.007 -16.579 697 2HD LYS 13 HDR LYS 13 8.230 -1.485 -16.179 698 1HE LYS 13 HES LYS 13 9.862 -3.995 -16.414 699 2HE LYS 13 HER LYS 13 9.439 -2.982 -17.822 700 1HZ LYS 13 HZA LYS 13 10.442 -1.121 -16.602 701 2HZ LYS 13 HZB LYS 13 10.958 -2.156 -15.449 702 3HZ LYS 13 HZC LYS 13 11.515 -2.293 -16.978 703 H ASP 14 HN ASP 14 8.841 0.163 -11.390 704 HA ASP 14 HA ASP 14 11.202 1.469 -11.630 705 1HB ASP 14 HBS ASP 14 9.030 2.422 -10.906 706 2HB ASP 14 HBR ASP 14 9.368 1.798 -9.264 707 H ALA 15 HN ALA 15 10.278 -0.737 -9.033 708 HA ALA 15 HA ALA 15 12.600 -0.773 -7.521 709 1HB ALA 15 HMB ALA 15 10.338 -2.207 -7.537 710 2HB ALA 15 HMB ALA 15 11.441 -3.405 -8.263 711 3HB ALA 15 HMB ALA 15 11.806 -2.711 -6.662 712 H GLY 16 HN GLY 16 11.954 -2.457 -10.592 713 1HA GLY 16 HAR GLY 16 14.028 -2.714 -11.990 714 2HA GLY 16 HAS GLY 16 14.750 -3.525 -10.576 715 H ALA 17 HN ALA 17 11.406 -4.141 -10.898 716 HA ALA 17 HA ALA 17 11.705 -6.820 -11.801 717 1HB ALA 17 HMB ALA 17 9.474 -4.959 -11.169 718 2HB ALA 17 HMB ALA 17 9.098 -6.378 -12.180 719 3HB ALA 17 HMB ALA 17 9.822 -6.599 -10.568 720 H GLU 18 HN GLU 18 10.160 -7.577 -13.653 721 HA GLU 18 HA GLU 18 9.860 -5.967 -15.942 722 1HB GLU 18 HBR GLU 18 11.597 -6.837 -17.373 723 2HB GLU 18 HBS GLU 18 12.173 -5.941 -16.076 724 1HG GLU 18 HGS GLU 18 12.281 -8.361 -14.904 725 2HG GLU 18 HGR GLU 18 12.673 -8.840 -16.579 726 H ARG 19 HN ARG 19 10.381 -9.153 -14.520 727 HA ARG 19 HA ARG 19 7.939 -10.042 -15.944 728 1HB ARG 19 HBR ARG 19 10.403 -11.753 -15.477 729 2HB ARG 19 HBS ARG 19 8.804 -12.355 -16.002 730 1HG ARG 19 HGS ARG 19 10.070 -10.197 -17.631 731 2HG ARG 19 HGR ARG 19 10.793 -11.829 -17.716 732 1HD ARG 19 HDS ARG 19 9.265 -12.142 -19.310 733 2HD ARG 19 HDR ARG 19 8.179 -12.441 -17.924 734 HE ARG 19 HE ARG 19 8.224 -10.071 -19.661 735 1HH1 ARG 19 HH1 ARG 19 6.795 -11.812 -16.949 736 2HH1 ARG 19 HH1 ARG 19 5.507 -10.672 -16.754 737 1HH2 ARG 19 HH2 ARG 19 6.600 -8.533 -19.293 738 2HH2 ARG 19 HH2 ARG 19 5.394 -8.817 -18.081 739 H VAL 20 HN VAL 20 6.573 -9.826 -14.295 740 HA VAL 20 HA VAL 20 7.235 -11.267 -11.780 741 HB VAL 20 HB VAL 20 5.284 -8.986 -12.153 742 1HG1 VAL 20 HMG VAL 20 6.013 -10.588 -9.692 743 2HG1 VAL 20 HMG VAL 20 5.154 -9.031 -9.652 744 3HG1 VAL 20 HMG VAL 20 4.418 -10.433 -10.466 745 1HG2 VAL 20 HMG VAL 20 8.088 -9.104 -11.111 746 2HG2 VAL 20 HMG VAL 20 7.308 -7.904 -12.169 747 3HG2 VAL 20 HMG VAL 20 6.937 -7.931 -10.428 748 H SER 21 HN SER 21 5.768 -12.722 -11.003 749 HA SER 21 HA SER 21 3.974 -13.966 -12.922 750 1HB SER 21 HBS SER 21 3.579 -15.600 -11.321 751 2HB SER 21 HBR SER 21 5.292 -15.151 -11.078 752 HG SER 21 HG SER 21 4.598 -13.633 -9.440 753 H ASP 22 HN ASP 22 1.738 -14.131 -12.749 754 HA ASP 22 HA ASP 22 0.338 -11.825 -12.022 755 1HB ASP 22 HBS ASP 22 -0.857 -14.580 -12.316 756 2HB ASP 22 HBR ASP 22 -1.673 -12.998 -12.489 757 H ASP 23 HN ASP 23 0.996 -14.756 -10.183 758 HA ASP 23 HA ASP 23 -0.623 -14.233 -7.997 759 1HB ASP 23 HBS ASP 23 1.920 -15.771 -8.323 760 2HB ASP 23 HBR ASP 23 1.198 -15.540 -6.704 761 H ALA 24 HN ALA 24 2.774 -13.229 -8.448 762 HA ALA 24 HA ALA 24 3.057 -11.900 -6.028 763 1HB ALA 24 HMB ALA 24 4.442 -11.976 -8.605 764 2HB ALA 24 HMB ALA 24 4.624 -10.425 -7.747 765 3HB ALA 24 HMB ALA 24 5.085 -11.947 -6.943 766 H ARG 25 HN ARG 25 2.116 -10.503 -9.189 767 HA ARG 25 HA ARG 25 2.129 -7.839 -8.348 768 1HB ARG 25 HBR ARG 25 0.496 -7.501 -10.310 769 2HB ARG 25 HBS ARG 25 2.138 -8.121 -10.646 770 1HG ARG 25 HGS ARG 25 1.220 -10.408 -10.805 771 2HG ARG 25 HGR ARG 25 -0.419 -9.757 -10.521 772 1HD ARG 25 HDS ARG 25 1.144 -8.472 -12.667 773 2HD ARG 25 HDR ARG 25 0.656 -10.165 -12.954 774 HE ARG 25 HE ARG 25 -1.117 -7.828 -12.659 775 1HH1 ARG 25 HH1 ARG 25 -0.711 -11.257 -13.369 776 2HH1 ARG 25 HH1 ARG 25 -2.388 -11.494 -13.730 777 1HH2 ARG 25 HH2 ARG 25 -3.320 -8.195 -13.050 778 2HH2 ARG 25 HH2 ARG 25 -3.859 -9.755 -13.577 779 H ILE 26 HN ILE 26 -0.562 -10.173 -8.463 780 HA ILE 26 HA ILE 26 -2.530 -8.474 -7.341 781 HB ILE 26 HB ILE 26 -2.246 -11.515 -7.172 782 1HG1 ILE 26 HG1 ILE 26 -2.145 -10.647 -9.462 783 2HG1 ILE 26 HG1 ILE 26 -3.635 -11.591 -9.176 784 1HG2 ILE 26 HMG ILE 26 -3.861 -10.700 -5.545 785 2HG2 ILE 26 HMG ILE 26 -4.708 -9.789 -6.824 786 3HG2 ILE 26 HMG ILE 26 -4.672 -11.571 -6.873 787 1HD1 ILE 26 HMD ILE 26 -4.903 -9.495 -8.936 788 2HD1 ILE 26 HMD ILE 26 -3.414 -8.567 -9.256 789 3HD1 ILE 26 HMD ILE 26 -4.099 -9.617 -10.525 790 H THR 27 HN THR 27 -0.040 -10.532 -5.887 791 HA THR 27 HA THR 27 -1.041 -10.605 -3.279 792 HB THR 27 HB THR 27 1.859 -10.766 -4.272 793 HG1 THR 27 HG1 THR 27 1.556 -12.607 -4.418 794 1HG2 THR 27 HMG THR 27 1.214 -10.353 -1.652 795 2HG2 THR 27 HMG THR 27 1.182 -12.132 -1.753 796 3HG2 THR 27 HMG THR 27 2.649 -11.238 -2.226 797 H LEU 28 HN LEU 28 1.275 -8.318 -4.748 798 HA LEU 28 HA LEU 28 1.720 -6.773 -2.352 799 1HB LEU 28 HBR LEU 28 2.890 -7.065 -4.789 800 2HB LEU 28 HBS LEU 28 1.993 -5.545 -5.035 801 HG LEU 28 HG LEU 28 3.268 -4.376 -3.490 802 1HD1 LEU 28 HMD LEU 28 3.518 -6.937 -2.160 803 2HD1 LEU 28 HMD LEU 28 5.111 -6.163 -2.354 804 3HD1 LEU 28 HMD LEU 28 3.792 -5.292 -1.532 805 1HD2 LEU 28 HMD LEU 28 4.383 -5.394 -5.636 806 2HD2 LEU 28 HMD LEU 28 5.358 -4.504 -4.439 807 3HD2 LEU 28 HMD LEU 28 5.372 -6.286 -4.450 808 H ALA 29 HN ALA 29 -0.293 -6.324 -5.275 809 HA ALA 29 HA ALA 29 -1.686 -4.102 -4.517 810 1HB ALA 29 HMB ALA 29 -2.401 -6.491 -6.176 811 2HB ALA 29 HMB ALA 29 -3.640 -5.258 -5.829 812 3HB ALA 29 HMB ALA 29 -2.129 -4.798 -6.655 813 H LYS 30 HN LYS 30 -2.231 -7.419 -3.434 814 HA LYS 30 HA LYS 30 -4.546 -6.676 -1.864 815 1HB LYS 30 HBR LYS 30 -3.388 -9.072 -2.840 816 2HB LYS 30 HBS LYS 30 -3.404 -9.190 -1.057 817 1HG LYS 30 HGR LYS 30 -5.897 -8.342 -1.351 818 2HG LYS 30 HGS LYS 30 -5.695 -9.010 -2.996 819 1HD LYS 30 HDS LYS 30 -5.355 -10.502 -0.393 820 2HD LYS 30 HDR LYS 30 -6.715 -10.593 -1.478 821 1HE LYS 30 HES LYS 30 -4.048 -11.168 -2.644 822 2HE LYS 30 HER LYS 30 -4.757 -12.360 -1.518 823 1HZ LYS 30 HZB LYS 30 -6.238 -11.275 -3.804 824 2HZ LYS 30 HZC LYS 30 -5.323 -12.623 -3.914 825 3HZ LYS 30 HZA LYS 30 -6.602 -12.586 -2.899 826 H ILE 31 HN ILE 31 -1.110 -6.934 -1.357 827 HA ILE 31 HA ILE 31 -1.090 -6.868 1.532 828 HB ILE 31 HB ILE 31 0.879 -6.105 -0.666 829 1HG1 ILE 31 HG1 ILE 31 1.319 -8.223 1.420 830 2HG1 ILE 31 HG1 ILE 31 0.152 -8.526 0.101 831 1HG2 ILE 31 HMG ILE 31 0.996 -5.305 2.134 832 2HG2 ILE 31 HMG ILE 31 2.404 -6.275 1.627 833 3HG2 ILE 31 HMG ILE 31 1.979 -4.789 0.739 834 1HD1 ILE 31 HMD ILE 31 2.992 -7.633 -0.426 835 2HD1 ILE 31 HMD ILE 31 2.547 -9.351 -0.238 836 3HD1 ILE 31 HMD ILE 31 1.829 -8.382 -1.552 837 H LEU 32 HN LEU 32 -0.173 -4.262 -0.728 838 HA LEU 32 HA LEU 32 -0.354 -2.258 1.095 839 1HB LEU 32 HBR LEU 32 -0.567 -2.353 -1.905 840 2HB LEU 32 HBS LEU 32 -0.639 -0.795 -1.034 841 HG LEU 32 HG LEU 32 1.611 -1.644 0.026 842 1HD1 LEU 32 HMD LEU 32 1.499 -3.117 -2.626 843 2HD1 LEU 32 HMD LEU 32 2.945 -2.913 -1.604 844 3HD1 LEU 32 HMD LEU 32 1.559 -3.863 -1.008 845 1HD2 LEU 32 HMD LEU 32 1.063 0.311 -1.520 846 2HD2 LEU 32 HMD LEU 32 2.730 -0.316 -1.579 847 3HD2 LEU 32 HMD LEU 32 1.570 -0.745 -2.862 848 H GLU 33 HN GLU 33 -2.969 -3.506 -0.919 849 HA GLU 33 HA GLU 33 -4.827 -1.451 -0.304 850 1HB GLU 33 HBR GLU 33 -4.864 -3.039 -2.210 851 2HB GLU 33 HBS GLU 33 -5.107 -4.308 -1.138 852 1HG GLU 33 HGS GLU 33 -7.087 -2.066 -1.228 853 2HG GLU 33 HGR GLU 33 -7.269 -3.457 -2.331 854 H GLU 34 HN GLU 34 -4.023 -4.508 1.281 855 HA GLU 34 HA GLU 34 -6.020 -4.475 3.331 856 1HB GLU 34 HBR GLU 34 -4.139 -6.168 2.583 857 2HB GLU 34 HBS GLU 34 -3.163 -5.259 3.601 858 1HG GLU 34 HGS GLU 34 -5.715 -6.496 4.580 859 2HG GLU 34 HGR GLU 34 -4.142 -7.312 4.780 860 H MET 35 HN MET 35 -2.697 -3.134 3.162 861 HA MET 35 HA MET 35 -2.724 -1.773 5.584 862 1HB MET 35 HBS MET 35 -1.326 -0.882 3.043 863 2HB MET 35 HBR MET 35 -0.909 -0.436 4.723 864 1HG MET 35 HGS MET 35 -0.297 -2.722 5.246 865 2HG MET 35 HGR MET 35 -0.951 -3.296 3.692 866 1HE MET 35 HME MET 35 1.656 -3.484 5.256 867 2HE MET 35 HME MET 35 2.678 -3.850 3.844 868 3HE MET 35 HME MET 35 3.010 -2.407 4.835 869 H GLY 36 HN GLY 36 -3.850 -0.675 2.392 870 1HA GLY 36 HAR GLY 36 -4.386 1.986 3.122 871 2HA GLY 36 HAS GLY 36 -5.116 1.127 1.738 872 H ARG 37 HN ARG 37 -6.464 -0.908 3.145 873 HA ARG 37 HA ARG 37 -8.832 0.319 4.196 874 1HB ARG 37 HBR ARG 37 -8.336 -2.125 3.281 875 2HB ARG 37 HBS ARG 37 -8.031 -2.444 5.012 876 1HG ARG 37 HGS ARG 37 -10.469 -0.980 4.817 877 2HG ARG 37 HGR ARG 37 -10.527 -2.298 3.613 878 1HD ARG 37 HDS ARG 37 -10.146 -2.457 6.589 879 2HD ARG 37 HDR ARG 37 -11.399 -3.218 5.567 880 HE ARG 37 HE ARG 37 -8.719 -4.213 6.095 881 1HH1 ARG 37 HH1 ARG 37 -11.633 -4.459 4.127 882 2HH1 ARG 37 HH1 ARG 37 -11.147 -5.954 3.400 883 1HH2 ARG 37 HH2 ARG 37 -8.057 -6.099 5.026 884 2HH2 ARG 37 HH2 ARG 37 -9.124 -6.883 3.910 885 H ASP 38 HN ASP 38 -5.772 -0.751 5.560 886 HA ASP 38 HA ASP 38 -6.766 -0.792 8.228 887 1HB ASP 38 HBS ASP 38 -4.328 -1.538 6.849 888 2HB ASP 38 HBR ASP 38 -4.015 -0.812 8.452 889 H ILE 39 HN ILE 39 -4.617 1.457 6.490 890 HA ILE 39 HA ILE 39 -4.199 3.227 8.735 891 HB ILE 39 HB ILE 39 -4.044 3.932 5.769 892 1HG1 ILE 39 HG1 ILE 39 -1.681 2.873 7.321 893 2HG1 ILE 39 HG1 ILE 39 -2.843 1.747 6.564 894 1HG2 ILE 39 HMG ILE 39 -3.859 5.779 7.419 895 2HG2 ILE 39 HMG ILE 39 -2.420 4.974 8.097 896 3HG2 ILE 39 HMG ILE 39 -2.404 5.555 6.411 897 1HD1 ILE 39 HMD ILE 39 -2.422 3.025 4.394 898 2HD1 ILE 39 HMD ILE 39 -1.035 3.768 5.234 899 3HD1 ILE 39 HMD ILE 39 -1.096 2.000 5.005 900 H ALA 40 HN ALA 40 -6.648 2.804 6.259 901 HA ALA 40 HA ALA 40 -7.580 5.519 6.359 902 1HB ALA 40 HMB ALA 40 -8.629 2.998 5.060 903 2HB ALA 40 HMB ALA 40 -9.423 4.584 4.915 904 3HB ALA 40 HMB ALA 40 -7.758 4.358 4.313 905 H SER 41 HN SER 41 -8.908 2.399 7.493 906 HA SER 41 HA SER 41 -11.026 3.596 9.042 907 1HB SER 41 HBS SER 41 -10.825 1.170 8.222 908 2HB SER 41 HBR SER 41 -9.771 0.921 9.645 909 HG SER 41 HG SER 41 -12.516 1.857 9.448 910 H GLU 42 HN GLU 42 -7.620 3.224 9.437 911 HA GLU 42 HA GLU 42 -7.602 3.639 12.281 912 1HB GLU 42 HBR GLU 42 -5.740 3.393 10.021 913 2HB GLU 42 HBS GLU 42 -5.228 4.511 11.161 914 1HG GLU 42 HGS GLU 42 -5.842 1.633 11.720 915 2HG GLU 42 HGR GLU 42 -4.229 2.388 11.844 916 H ALA 43 HN ALA 43 -6.887 5.780 9.488 917 HA ALA 43 HA ALA 43 -6.862 8.147 11.085 918 1HB ALA 43 HMB ALA 43 -6.989 7.602 8.119 919 2HB ALA 43 HMB ALA 43 -7.016 9.252 8.790 920 3HB ALA 43 HMB ALA 43 -5.621 8.188 9.099 921 H ILE 44 HN ILE 44 -9.398 6.252 9.760 922 HA ILE 44 HA ILE 44 -11.344 8.412 9.933 923 HB ILE 44 HB ILE 44 -11.417 5.476 9.141 924 1HG1 ILE 44 HG1 ILE 44 -12.112 8.005 7.611 925 2HG1 ILE 44 HG1 ILE 44 -10.496 7.241 7.637 926 1HG2 ILE 44 HMG ILE 44 -13.549 6.088 10.379 927 2HG2 ILE 44 HMG ILE 44 -13.876 7.217 9.038 928 3HG2 ILE 44 HMG ILE 44 -13.720 5.469 8.715 929 1HD1 ILE 44 HMD ILE 44 -11.507 5.186 6.668 930 2HD1 ILE 44 HMD ILE 44 -13.065 6.047 6.554 931 3HD1 ILE 44 HMD ILE 44 -11.661 6.614 5.610 932 H LYS 45 HN LYS 45 -10.801 5.289 11.609 933 HA LYS 45 HA LYS 45 -12.504 5.767 13.829 934 1HB LYS 45 HBR LYS 45 -11.429 3.589 13.331 935 2HB LYS 45 HBS LYS 45 -9.854 4.287 13.806 936 1HG LYS 45 HGR LYS 45 -10.373 4.293 16.051 937 2HG LYS 45 HGS LYS 45 -12.130 4.436 15.758 938 1HD LYS 45 HDS LYS 45 -12.352 2.163 15.222 939 2HD LYS 45 HDR LYS 45 -10.633 1.953 15.023 940 1HE LYS 45 HES LYS 45 -10.485 2.598 17.537 941 2HE LYS 45 HER LYS 45 -12.217 2.162 17.537 942 1HZ LYS 45 HZB LYS 45 -10.979 0.153 16.209 943 2HZ LYS 45 HZC LYS 45 -9.953 0.477 17.438 944 3HZ LYS 45 HZA LYS 45 -11.511 0.103 17.753 945 H LEU 46 HN LEU 46 -9.397 7.053 12.910 946 HA LEU 46 HA LEU 46 -8.724 8.259 15.442 947 1HB LEU 46 HBR LEU 46 -7.851 8.344 12.605 948 2HB LEU 46 HBS LEU 46 -7.512 9.800 13.586 949 HG LEU 46 HG LEU 46 -6.713 7.116 14.643 950 1HD1 LEU 46 HMD LEU 46 -5.561 8.530 12.275 951 2HD1 LEU 46 HMD LEU 46 -4.435 7.828 13.463 952 3HD1 LEU 46 HMD LEU 46 -5.634 6.790 12.651 953 1HD2 LEU 46 HMD LEU 46 -5.716 9.974 14.776 954 2HD2 LEU 46 HMD LEU 46 -6.466 9.011 16.074 955 3HD2 LEU 46 HMD LEU 46 -4.840 8.590 15.477 956 H ALA 47 HN ALA 47 -10.262 9.478 12.445 957 HA ALA 47 HA ALA 47 -10.424 12.133 13.271 958 1HB ALA 47 HMB ALA 47 -11.494 10.479 11.111 959 2HB ALA 47 HMB ALA 47 -12.555 11.843 11.546 960 3HB ALA 47 HMB ALA 47 -10.859 12.144 11.090 961 H ARG 48 HN ARG 48 -12.624 9.444 13.846 962 HA ARG 48 HA ARG 48 -14.712 11.142 14.906 963 1HB ARG 48 HBR ARG 48 -15.245 9.069 13.740 964 2HB ARG 48 HBS ARG 48 -14.364 8.127 14.977 965 1HG ARG 48 HGS ARG 48 -16.039 8.316 16.517 966 2HG ARG 48 HGR ARG 48 -16.577 9.906 15.906 967 1HD ARG 48 HDS ARG 48 -16.978 8.028 13.837 968 2HD ARG 48 HDR ARG 48 -17.596 7.298 15.346 969 HE ARG 48 HE ARG 48 -18.422 10.061 14.773 970 1HH1 ARG 48 HH1 ARG 48 -19.199 6.645 14.375 971 2HH1 ARG 48 HH1 ARG 48 -20.909 6.923 14.368 972 1HH2 ARG 48 HH2 ARG 48 -20.665 10.370 14.890 973 2HH2 ARG 48 HH2 ARG 48 -21.738 9.031 14.657 974 H HIS 49 HN HIS 49 -12.455 8.736 16.295 975 HA HIS 49 HA HIS 49 -13.159 9.055 18.963 976 1HB HIS 49 HBS HIS 49 -11.520 7.333 17.992 977 2HB HIS 49 HBR HIS 49 -10.273 8.607 18.121 978 HD1 HIS 49 HD1 HIS 49 -11.417 5.802 20.003 979 HD2 HIS 49 HD2 HIS 49 -10.423 9.733 20.957 980 HE1 HIS 49 HE1 HIS 49 -10.781 5.801 22.426 981 HE2 HIS 49 HE2 HIS 49 -10.158 8.174 23.005 982 H ALA 50 HN ALA 50 -10.927 10.971 16.990 983 HA ALA 50 HA ALA 50 -10.126 12.829 19.033 984 1HB ALA 50 HMB ALA 50 -9.153 12.473 16.683 985 2HB ALA 50 HMB ALA 50 -10.506 13.487 16.116 986 3HB ALA 50 HMB ALA 50 -9.326 14.143 17.280 987 H GLY 51 HN GLY 51 -12.800 12.704 16.673 988 1HA GLY 51 HAR GLY 51 -14.869 13.856 16.737 989 2HA GLY 51 HAS GLY 51 -14.284 14.812 18.125 990 H ARG 52 HN ARG 52 -12.912 14.144 14.883 991 HA ARG 52 HA ARG 52 -11.906 16.882 14.832 992 1HB ARG 52 HBR ARG 52 -10.992 14.381 13.929 993 2HB ARG 52 HBS ARG 52 -11.318 15.337 12.455 994 1HG ARG 52 HGS ARG 52 -9.050 15.725 12.981 995 2HG ARG 52 HGR ARG 52 -9.926 17.186 13.522 996 1HD ARG 52 HDS ARG 52 -10.055 15.957 15.792 997 2HD ARG 52 HDR ARG 52 -8.726 14.964 15.133 998 HE ARG 52 HE ARG 52 -8.331 17.855 14.960 999 1HH1 ARG 52 HH1 ARG 52 -7.587 14.822 16.597 1000 2HH1 ARG 52 HH1 ARG 52 -6.327 15.523 17.556 1001 1HH2 ARG 52 HH2 ARG 52 -6.764 18.764 16.324 1002 2HH2 ARG 52 HH2 ARG 52 -5.860 17.753 17.401 1003 H LYS 53 HN LYS 53 -14.048 14.806 12.894 1004 HA LYS 53 HA LYS 53 -15.472 15.234 11.149 1005 1HB LYS 53 HBR LYS 53 -15.272 17.953 12.383 1006 2HB LYS 53 HBS LYS 53 -15.892 17.818 10.712 1007 1HG LYS 53 HGR LYS 53 -17.140 15.850 12.459 1008 2HG LYS 53 HGS LYS 53 -17.342 17.506 13.101 1009 1HD LYS 53 HDS LYS 53 -17.815 17.519 10.276 1010 2HD LYS 53 HDR LYS 53 -18.725 16.218 10.993 1011 1HE LYS 53 HES LYS 53 -19.867 17.663 12.485 1012 2HE LYS 53 HER LYS 53 -18.777 19.018 12.076 1013 1HZ LYS 53 HZC LYS 53 -19.655 18.818 9.794 1014 2HZ LYS 53 HZA LYS 53 -20.775 17.759 10.333 1015 3HZ LYS 53 HZB LYS 53 -20.768 19.293 10.890 1016 H THR 54 HN THR 54 -14.647 14.794 9.255 1017 HA THR 54 HA THR 54 -13.531 15.011 7.255 1018 HB THR 54 HB THR 54 -12.593 17.791 8.151 1019 HG1 THR 54 HG1 THR 54 -14.191 18.526 7.493 1020 1HG2 THR 54 HMG THR 54 -12.690 16.376 5.496 1021 2HG2 THR 54 HMG THR 54 -12.721 18.154 5.600 1022 3HG2 THR 54 HMG THR 54 -11.338 17.247 6.264 1023 H ILE 55 HN ILE 55 -11.651 14.124 6.738 1024 HA ILE 55 HA ILE 55 -9.653 13.913 8.884 1025 HB ILE 55 HB ILE 55 -10.191 12.265 6.366 1026 1HG1 ILE 55 HG1 ILE 55 -10.789 11.853 9.314 1027 2HG1 ILE 55 HG1 ILE 55 -11.946 12.012 7.962 1028 1HG2 ILE 55 HMG ILE 55 -7.791 12.236 6.991 1029 2HG2 ILE 55 HMG ILE 55 -8.255 11.603 8.593 1030 3HG2 ILE 55 HMG ILE 55 -8.592 10.648 7.125 1031 1HD1 ILE 55 HMD ILE 55 -11.156 9.858 7.058 1032 2HD1 ILE 55 HMD ILE 55 -10.048 9.695 8.446 1033 3HD1 ILE 55 HMD ILE 55 -11.812 9.702 8.709 1034 H LYS 56 HN LYS 56 -7.363 13.694 8.261 1035 HA LYS 56 HA LYS 56 -6.532 15.514 6.075 1036 1HB LYS 56 HBR LYS 56 -6.279 16.038 9.039 1037 2HB LYS 56 HBS LYS 56 -5.114 16.708 7.862 1038 1HG LYS 56 HGR LYS 56 -7.402 17.482 6.675 1039 2HG LYS 56 HGS LYS 56 -7.971 17.423 8.368 1040 1HD LYS 56 HDS LYS 56 -5.464 18.887 7.580 1041 2HD LYS 56 HDR LYS 56 -7.039 19.612 7.419 1042 1HE LYS 56 HES LYS 56 -7.365 19.842 9.644 1043 2HE LYS 56 HER LYS 56 -6.435 18.366 10.028 1044 1HZ LYS 56 HZB LYS 56 -4.444 19.645 9.410 1045 2HZ LYS 56 HZC LYS 56 -5.356 20.996 9.293 1046 3HZ LYS 56 HZA LYS 56 -5.208 20.232 10.728 1047 H ALA 57 HN ALA 57 -4.152 15.698 5.984 1048 HA ALA 57 HA ALA 57 -3.022 13.141 5.766 1049 1HB ALA 57 HMB ALA 57 -1.976 15.945 5.619 1050 2HB ALA 57 HMB ALA 57 -0.832 14.579 5.629 1051 3HB ALA 57 HMB ALA 57 -2.079 14.688 4.360 1052 H GLU 58 HN GLU 58 -3.296 15.217 8.491 1053 HA GLU 58 HA GLU 58 -1.178 13.954 10.026 1054 1HB GLU 58 HBR GLU 58 -3.464 15.839 10.589 1055 2HB GLU 58 HBS GLU 58 -2.582 15.136 11.833 1056 1HG GLU 58 HGS GLU 58 -0.464 15.993 11.065 1057 2HG GLU 58 HGR GLU 58 -1.224 16.816 9.677 1058 H ASP 59 HN ASP 59 -4.540 13.355 9.348 1059 HA ASP 59 HA ASP 59 -4.844 11.431 11.490 1060 1HB ASP 59 HBS ASP 59 -6.553 12.667 9.501 1061 2HB ASP 59 HBR ASP 59 -6.851 10.912 9.664 1062 H ILE 60 HN ILE 60 -3.924 11.373 8.103 1063 HA ILE 60 HA ILE 60 -3.488 8.514 7.947 1064 HB ILE 60 HB ILE 60 -2.532 10.961 6.415 1065 1HG1 ILE 60 HG1 ILE 60 -3.781 10.020 4.600 1066 2HG1 ILE 60 HG1 ILE 60 -4.018 8.484 5.480 1067 1HG2 ILE 60 HMG ILE 60 -1.419 8.180 6.172 1068 2HG2 ILE 60 HMG ILE 60 -1.519 9.275 4.767 1069 3HG2 ILE 60 HMG ILE 60 -0.570 9.749 6.202 1070 1HD1 ILE 60 HMD ILE 60 -5.413 9.686 7.138 1071 2HD1 ILE 60 HMD ILE 60 -5.225 11.179 6.181 1072 3HD1 ILE 60 HMD ILE 60 -6.070 9.772 5.482 1073 H GLU 61 HN GLU 61 -1.371 11.338 8.602 1074 HA GLU 61 HA GLU 61 0.962 9.877 8.971 1075 1HB GLU 61 HBR GLU 61 -0.072 12.561 9.747 1076 2HB GLU 61 HBS GLU 61 1.261 12.004 10.600 1077 1HG GLU 61 HGS GLU 61 2.708 11.861 8.820 1078 2HG GLU 61 HGR GLU 61 1.427 11.883 7.578 1079 H LEU 62 HN LEU 62 -1.518 10.790 11.341 1080 HA LEU 62 HA LEU 62 -0.325 9.387 13.530 1081 1HB LEU 62 HBR LEU 62 -2.158 11.238 13.363 1082 2HB LEU 62 HBS LEU 62 -3.277 9.853 13.209 1083 HG LEU 62 HG LEU 62 -2.555 9.017 15.387 1084 1HD1 LEU 62 HMD LEU 62 -0.253 9.947 15.324 1085 2HD1 LEU 62 HMD LEU 62 -0.933 11.578 15.552 1086 3HD1 LEU 62 HMD LEU 62 -1.124 10.348 16.826 1087 1HD2 LEU 62 HMD LEU 62 -4.221 11.090 14.812 1088 2HD2 LEU 62 HMD LEU 62 -4.028 10.375 16.433 1089 3HD2 LEU 62 HMD LEU 62 -3.134 11.855 16.000 1090 H ALA 63 HN ALA 63 -2.956 8.522 11.258 1091 HA ALA 63 HA ALA 63 -3.508 6.023 12.254 1092 1HB ALA 63 HMB ALA 63 -3.660 7.129 9.452 1093 2HB ALA 63 HMB ALA 63 -4.232 5.492 9.863 1094 3HB ALA 63 HMB ALA 63 -4.962 6.915 10.650 1095 H VAL 64 HN VAL 64 -0.778 6.998 10.316 1096 HA VAL 64 HA VAL 64 -0.286 4.206 9.600 1097 HB VAL 64 HB VAL 64 -0.596 6.460 8.169 1098 1HG1 VAL 64 HMG VAL 64 2.374 6.251 8.560 1099 2HG1 VAL 64 HMG VAL 64 1.706 6.764 6.992 1100 3HG1 VAL 64 HMG VAL 64 1.318 7.681 8.467 1101 1HG2 VAL 64 HMG VAL 64 -0.148 3.798 7.653 1102 2HG2 VAL 64 HMG VAL 64 -0.556 5.062 6.468 1103 3HG2 VAL 64 HMG VAL 64 1.144 4.602 6.731 1104 H ARG 65 HN ARG 65 1.757 7.034 10.427 1105 HA ARG 65 HA ARG 65 3.973 5.676 11.394 1106 1HB ARG 65 HBR ARG 65 3.326 8.273 11.225 1107 2HB ARG 65 HBS ARG 65 3.075 8.033 12.979 1108 1HG ARG 65 HGS ARG 65 5.315 8.847 12.595 1109 2HG ARG 65 HGR ARG 65 5.393 7.149 13.145 1110 1HD ARG 65 HDS ARG 65 5.188 7.333 10.268 1111 2HD ARG 65 HDR ARG 65 6.580 8.262 10.890 1112 HE ARG 65 HE ARG 65 6.199 5.467 11.789 1113 1HH1 ARG 65 HH1 ARG 65 7.904 7.716 9.676 1114 2HH1 ARG 65 HH1 ARG 65 9.321 6.723 9.581 1115 1HH2 ARG 65 HH2 ARG 65 8.116 4.259 11.746 1116 2HH2 ARG 65 HH2 ARG 65 9.440 4.765 10.752 1117 H ARG 66 HN ARG 66 0.800 5.746 12.708 1118 HA ARG 66 HA ARG 66 1.667 4.510 15.227 1119 1HB ARG 66 HBR ARG 66 -0.362 6.016 15.003 1120 2HB ARG 66 HBS ARG 66 -1.151 4.672 14.128 1121 1HG ARG 66 HGS ARG 66 -0.434 3.309 16.286 1122 2HG ARG 66 HGR ARG 66 -0.446 4.934 17.028 1123 1HD ARG 66 HDS ARG 66 -2.709 5.268 16.497 1124 2HD ARG 66 HDR ARG 66 -2.735 3.867 15.390 1125 HE ARG 66 HE ARG 66 -2.293 2.520 17.544 1126 1HH1 ARG 66 HH1 ARG 66 -4.377 5.347 17.237 1127 2HH1 ARG 66 HH1 ARG 66 -5.270 4.980 18.675 1128 1HH2 ARG 66 HH2 ARG 66 -3.399 2.142 19.486 1129 2HH2 ARG 66 HH2 ARG 66 -4.720 3.163 19.945 1130 H PHE 67 HN PHE 67 -0.556 3.489 12.600 1131 HA PHE 67 HA PHE 67 -0.993 1.115 13.849 1132 1HB PHE 67 HBR PHE 67 -2.421 0.466 12.151 1133 2HB PHE 67 HBS PHE 67 -2.377 2.235 11.967 1134 HD1 PHE 67 HD1 PHE 67 0.307 2.340 10.586 1135 HD2 PHE 67 HD2 PHE 67 -3.165 -0.025 9.882 1136 HE1 PHE 67 HE1 PHE 67 1.012 2.035 8.256 1137 HE2 PHE 67 HE2 PHE 67 -2.461 -0.372 7.537 1138 HZ PHE 67 HZ PHE 67 -0.315 0.593 6.758 1139 H LYS 68 HN LYS 68 1.620 1.869 11.723 1140 HA LYS 68 HA LYS 68 2.299 -0.957 11.287 1141 1HB LYS 68 HBR LYS 68 2.478 0.912 9.536 1142 2HB LYS 68 HBS LYS 68 3.928 1.441 10.436 1143 1HG LYS 68 HGR LYS 68 4.606 0.046 8.572 1144 2HG LYS 68 HGS LYS 68 4.914 -0.823 10.101 1145 1HD LYS 68 HDS LYS 68 3.199 -2.320 9.780 1146 2HD LYS 68 HDR LYS 68 2.330 -1.260 8.704 1147 1HE LYS 68 HES LYS 68 3.966 -1.618 6.937 1148 2HE LYS 68 HER LYS 68 4.898 -2.676 8.034 1149 1HZ LYS 68 HZA LYS 68 2.097 -3.207 7.358 1150 2HZ LYS 68 HZB LYS 68 3.331 -3.783 6.455 1151 3HZ LYS 68 HZC LYS 68 3.188 -4.225 8.021 1152 H LYS 69 HN LYS 69 2.905 -1.705 13.287 1153 HA LYS 69 HA LYS 69 5.569 -1.405 14.040 1154 1HB LYS 69 HBR LYS 69 5.329 -0.368 16.294 1155 2HB LYS 69 HBS LYS 69 5.144 0.767 14.927 1156 1HG LYS 69 HGR LYS 69 3.273 1.481 15.934 1157 2HG LYS 69 HGS LYS 69 2.536 -0.075 15.455 1158 1HD LYS 69 HDS LYS 69 2.476 -0.850 17.524 1159 2HD LYS 69 HDR LYS 69 4.113 -0.347 17.852 1160 1HE LYS 69 HES LYS 69 2.625 2.030 17.770 1161 2HE LYS 69 HER LYS 69 1.653 0.845 18.689 1162 1HZ LYS 69 HZC LYS 69 4.425 0.859 19.358 1163 2HZ LYS 69 HZA LYS 69 3.675 2.272 19.687 1164 3HZ LYS 69 HZB LYS 69 3.115 0.880 20.331 No H/Q in entry = 1164 Start of MODEL 9 Raw file had 1198 H/Q atoms Start of MODEL 9 1 1H MET 1 HNC MET 1 -0.813 9.065 -14.005 2 2H MET 1 HNB MET 1 -2.340 9.636 -14.120 3 3H MET 1 HN MET 1 -1.072 10.632 -14.389 4 HA MET 1 HA MET 1 -0.580 10.949 -12.273 5 1HB MET 1 HBS MET 1 -3.514 10.353 -12.524 6 2HB MET 1 HBR MET 1 -2.821 10.746 -10.926 7 1HG MET 1 HGS MET 1 -1.944 12.871 -11.807 8 2HG MET 1 HGR MET 1 -2.537 12.451 -13.432 9 1HE MET 1 HME MET 1 -3.977 14.549 -13.653 10 2HE MET 1 HME MET 1 -5.205 15.120 -12.495 11 3HE MET 1 HME MET 1 -3.478 15.175 -12.061 12 H GLU 2 HN GLU 2 0.125 10.099 -10.385 13 HA GLU 2 HA GLU 2 0.429 7.220 -10.124 14 1HB GLU 2 HBS GLU 2 0.703 9.368 -8.078 15 2HB GLU 2 HBR GLU 2 1.423 7.854 -7.994 16 1HG GLU 2 HGS GLU 2 3.263 8.910 -8.838 17 2HG GLU 2 HGR GLU 2 2.457 8.873 -10.429 18 H LEU 3 HN LEU 3 -0.118 6.653 -7.558 19 HA LEU 3 HA LEU 3 -2.467 5.804 -7.456 20 1HB LEU 3 HBR LEU 3 -0.556 6.567 -5.372 21 2HB LEU 3 HBS LEU 3 -2.196 6.110 -4.806 22 HG LEU 3 HG LEU 3 -1.928 4.119 -6.378 23 1HD1 LEU 3 HMD LEU 3 0.833 5.251 -6.303 24 2HD1 LEU 3 HMD LEU 3 0.590 3.500 -6.527 25 3HD1 LEU 3 HMD LEU 3 -0.144 4.653 -7.668 26 1HD2 LEU 3 HMD LEU 3 -0.337 4.424 -3.796 27 2HD2 LEU 3 HMD LEU 3 -1.945 3.692 -4.012 28 3HD2 LEU 3 HMD LEU 3 -0.498 2.861 -4.635 29 HA PRO 4 HA PRO 4 -4.986 9.469 -7.490 30 1HB PRO 4 HBR PRO 4 -7.175 7.923 -8.237 31 2HB PRO 4 HBS PRO 4 -6.382 9.047 -9.132 32 1HG PRO 4 HGR PRO 4 -6.299 6.421 -9.571 33 2HG PRO 4 HGS PRO 4 -5.242 7.546 -10.204 34 1HD PRO 4 HDS PRO 4 -4.798 5.705 -8.127 35 2HD PRO 4 HDR PRO 4 -3.683 6.505 -9.050 36 H ILE 5 HN ILE 5 -6.836 10.443 -6.532 37 HA ILE 5 HA ILE 5 -6.775 9.538 -3.760 38 HB ILE 5 HB ILE 5 -7.699 11.797 -3.284 39 1HG1 ILE 5 HG1 ILE 5 -7.583 13.286 -5.571 40 2HG1 ILE 5 HG1 ILE 5 -8.174 11.727 -6.213 41 1HG2 ILE 5 HMG ILE 5 -5.195 11.308 -3.788 42 2HG2 ILE 5 HMG ILE 5 -5.490 12.280 -5.253 43 3HG2 ILE 5 HMG ILE 5 -5.761 12.993 -3.642 44 1HD1 ILE 5 HMD ILE 5 -10.026 11.783 -4.581 45 2HD1 ILE 5 HMD ILE 5 -9.452 13.372 -4.008 46 3HD1 ILE 5 HMD ILE 5 -10.040 13.188 -5.682 47 H ALA 6 HN ALA 6 -9.071 9.841 -6.390 48 HA ALA 6 HA ALA 6 -11.457 9.429 -4.872 49 1HB ALA 6 HMB ALA 6 -10.796 9.888 -7.540 50 2HB ALA 6 HMB ALA 6 -11.502 8.252 -7.530 51 3HB ALA 6 HMB ALA 6 -12.425 9.624 -6.868 52 HA PRO 7 HA PRO 7 -10.828 4.827 -6.084 53 1HB PRO 7 HBR PRO 7 -8.258 4.204 -6.747 54 2HB PRO 7 HBS PRO 7 -9.555 4.194 -7.754 55 1HG PRO 7 HGS PRO 7 -7.515 6.074 -7.592 56 2HG PRO 7 HGR PRO 7 -8.611 5.837 -8.828 57 1HD PRO 7 HDR PRO 7 -8.680 7.886 -7.127 58 2HD PRO 7 HDS PRO 7 -9.965 7.384 -8.039 59 H ILE 8 HN ILE 8 -7.875 6.050 -4.723 60 HA ILE 8 HA ILE 8 -7.710 4.165 -2.574 61 HB ILE 8 HB ILE 8 -6.700 7.038 -2.851 62 1HG1 ILE 8 HG1 ILE 8 -5.448 4.319 -3.357 63 2HG1 ILE 8 HG1 ILE 8 -5.755 5.632 -4.530 64 1HG2 ILE 8 HMG ILE 8 -6.943 6.218 -0.467 65 2HG2 ILE 8 HMG ILE 8 -5.689 5.011 -0.858 66 3HG2 ILE 8 HMG ILE 8 -5.318 6.752 -0.969 67 1HD1 ILE 8 HMD ILE 8 -3.985 6.316 -2.252 68 2HD1 ILE 8 HMD ILE 8 -3.344 5.130 -3.420 69 3HD1 ILE 8 HMD ILE 8 -3.866 6.741 -3.979 70 H GLY 9 HN GLY 9 -9.358 7.282 -3.008 71 1HA GLY 9 HAS GLY 9 -10.539 7.568 -0.499 72 2HA GLY 9 HAR GLY 9 -11.277 8.109 -2.029 73 H ARG 10 HN ARG 10 -11.344 5.394 -3.157 74 HA ARG 10 HA ARG 10 -13.870 4.604 -2.044 75 1HB ARG 10 HBS ARG 10 -12.177 3.283 -4.193 76 2HB ARG 10 HBR ARG 10 -13.881 2.905 -3.808 77 1HG ARG 10 HGS ARG 10 -13.157 5.723 -4.524 78 2HG ARG 10 HGR ARG 10 -13.233 4.498 -5.821 79 1HD ARG 10 HDS ARG 10 -15.472 4.491 -3.906 80 2HD ARG 10 HDR ARG 10 -15.336 5.939 -4.942 81 HE ARG 10 HE ARG 10 -15.057 3.627 -6.556 82 1HH1 ARG 10 HH1 ARG 10 -17.466 5.584 -4.884 83 2HH1 ARG 10 HH1 ARG 10 -18.786 4.936 -5.800 84 1HH2 ARG 10 HH2 ARG 10 -16.821 2.711 -7.643 85 2HH2 ARG 10 HH2 ARG 10 -18.422 3.312 -7.363 86 H ILE 11 HN ILE 11 -10.575 3.389 -1.859 87 HA ILE 11 HA ILE 11 -11.065 0.950 -0.500 88 HB ILE 11 HB ILE 11 -8.757 2.944 -0.271 89 1HG1 ILE 11 HG1 ILE 11 -9.341 1.905 -2.522 90 2HG1 ILE 11 HG1 ILE 11 -7.658 1.718 -1.952 91 1HG2 ILE 11 HMG ILE 11 -9.269 0.464 1.183 92 2HG2 ILE 11 HMG ILE 11 -7.709 0.469 0.319 93 3HG2 ILE 11 HMG ILE 11 -8.086 1.763 1.487 94 1HD1 ILE 11 HMD ILE 11 -8.931 -0.559 -1.001 95 2HD1 ILE 11 HMD ILE 11 -9.653 -0.304 -2.612 96 3HD1 ILE 11 HMD ILE 11 -7.884 -0.446 -2.440 97 H ILE 12 HN ILE 12 -10.365 4.204 0.841 98 HA ILE 12 HA ILE 12 -10.451 3.322 3.506 99 HB ILE 12 HB ILE 12 -10.959 6.193 2.604 100 1HG1 ILE 12 HG1 ILE 12 -9.172 5.497 1.221 101 2HG1 ILE 12 HG1 ILE 12 -8.437 6.419 2.564 102 1HG2 ILE 12 HMG ILE 12 -10.900 5.297 5.104 103 2HG2 ILE 12 HMG ILE 12 -9.145 5.500 4.857 104 3HG2 ILE 12 HMG ILE 12 -10.243 6.888 4.636 105 1HD1 ILE 12 HMD ILE 12 -8.568 3.393 2.458 106 2HD1 ILE 12 HMD ILE 12 -7.182 4.363 1.894 107 3HD1 ILE 12 HMD ILE 12 -7.662 4.409 3.611 108 H LYS 13 HN LYS 13 -12.946 4.788 1.456 109 HA LYS 13 HA LYS 13 -14.951 5.097 3.512 110 1HB LYS 13 HBS LYS 13 -14.749 5.855 0.881 111 2HB LYS 13 HBR LYS 13 -15.886 4.480 0.788 112 1HG LYS 13 HGR LYS 13 -16.659 6.139 2.996 113 2HG LYS 13 HGS LYS 13 -16.402 7.185 1.571 114 1HD LYS 13 HDS LYS 13 -17.790 5.079 0.502 115 2HD LYS 13 HDR LYS 13 -18.460 5.168 2.108 116 1HE LYS 13 HES LYS 13 -19.857 6.545 0.889 117 2HE LYS 13 HER LYS 13 -18.731 7.673 1.695 118 1HZ LYS 13 HZB LYS 13 -18.021 6.706 -0.937 119 2HZ LYS 13 HZC LYS 13 -19.224 7.805 -0.846 120 3HZ LYS 13 HZA LYS 13 -17.745 8.162 -0.252 121 H ASP 14 HN ASP 14 -14.047 2.546 1.196 122 HA ASP 14 HA ASP 14 -15.963 0.725 1.793 123 1HB ASP 14 HBS ASP 14 -14.193 0.582 0.031 124 2HB ASP 14 HBR ASP 14 -13.100 -0.059 1.293 125 H ALA 15 HN ALA 15 -12.995 1.325 3.611 126 HA ALA 15 HA ALA 15 -13.351 -0.444 5.738 127 1HB ALA 15 HMB ALA 15 -11.768 1.808 5.149 128 2HB ALA 15 HMB ALA 15 -12.562 2.150 6.708 129 3HB ALA 15 HMB ALA 15 -11.596 0.666 6.507 130 H GLY 16 HN GLY 16 -14.802 2.773 5.230 131 1HA GLY 16 HAR GLY 16 -17.114 2.960 6.157 132 2HA GLY 16 HAS GLY 16 -16.441 2.390 7.707 133 H ALA 17 HN ALA 17 -14.337 4.389 5.868 134 HA ALA 17 HA ALA 17 -14.458 6.709 7.539 135 1HB ALA 17 HMB ALA 17 -13.218 5.909 4.975 136 2HB ALA 17 HMB ALA 17 -13.529 7.651 5.183 137 3HB ALA 17 HMB ALA 17 -12.536 6.775 6.376 138 H GLU 18 HN GLU 18 -14.753 8.843 5.912 139 HA GLU 18 HA GLU 18 -16.914 8.672 4.063 140 1HB GLU 18 HBS GLU 18 -18.318 10.298 5.369 141 2HB GLU 18 HBR GLU 18 -18.508 8.659 5.673 142 1HG GLU 18 HGS GLU 18 -16.454 9.588 7.420 143 2HG GLU 18 HGR GLU 18 -17.719 10.843 7.499 144 H ARG 19 HN ARG 19 -15.657 11.036 6.460 145 HA ARG 19 HA ARG 19 -15.524 13.037 4.285 146 1HB ARG 19 HBR ARG 19 -15.100 13.737 7.164 147 2HB ARG 19 HBS ARG 19 -15.878 14.663 5.847 148 1HG ARG 19 HGS ARG 19 -17.605 12.564 6.117 149 2HG ARG 19 HGR ARG 19 -17.034 12.767 7.797 150 1HD ARG 19 HDS ARG 19 -18.078 14.719 8.051 151 2HD ARG 19 HDR ARG 19 -17.672 15.266 6.399 152 HE ARG 19 HE ARG 19 -20.060 13.765 7.231 153 1HH1 ARG 19 HH1 ARG 19 -18.225 15.378 4.689 154 2HH1 ARG 19 HH1 ARG 19 -19.483 15.193 3.514 155 1HH2 ARG 19 HH2 ARG 19 -21.630 13.427 5.631 156 2HH2 ARG 19 HH2 ARG 19 -21.411 14.091 4.046 157 H VAL 20 HN VAL 20 -13.649 13.230 3.324 158 HA VAL 20 HA VAL 20 -11.154 13.242 4.908 159 HB VAL 20 HB VAL 20 -11.654 11.394 2.566 160 1HG1 VAL 20 HMG VAL 20 -9.233 11.783 4.337 161 2HG1 VAL 20 HMG VAL 20 -9.470 10.380 3.266 162 3HG1 VAL 20 HMG VAL 20 -9.356 12.018 2.577 163 1HG2 VAL 20 HMG VAL 20 -11.730 10.928 5.528 164 2HG2 VAL 20 HMG VAL 20 -12.845 10.373 4.257 165 3HG2 VAL 20 HMG VAL 20 -11.237 9.626 4.418 166 H SER 21 HN SER 21 -9.485 14.349 4.020 167 HA SER 21 HA SER 21 -10.170 16.204 1.908 168 1HB SER 21 HBS SER 21 -8.250 17.382 2.484 169 2HB SER 21 HBR SER 21 -8.843 16.710 4.031 170 HG SER 21 HG SER 21 -6.449 16.520 2.777 171 H ASP 22 HN ASP 22 -9.097 16.539 -0.027 172 HA ASP 22 HA ASP 22 -8.362 14.296 -1.494 173 1HB ASP 22 HBS ASP 22 -7.409 15.953 -3.146 174 2HB ASP 22 HBR ASP 22 -9.136 16.098 -2.702 175 H ASP 23 HN ASP 23 -6.375 16.451 0.435 176 HA ASP 23 HA ASP 23 -3.931 15.354 -0.586 177 1HB ASP 23 HBR ASP 23 -4.700 17.485 1.300 178 2HB ASP 23 HBS ASP 23 -3.108 16.720 1.574 179 H ALA 24 HN ALA 24 -6.053 14.578 2.032 180 HA ALA 24 HA ALA 24 -4.320 12.836 3.522 181 1HB ALA 24 HMB ALA 24 -6.834 13.732 3.862 182 2HB ALA 24 HMB ALA 24 -7.177 12.124 3.176 183 3HB ALA 24 HMB ALA 24 -6.187 12.271 4.650 184 H ARG 25 HN ARG 25 -6.480 12.406 0.713 185 HA ARG 25 HA ARG 25 -6.083 9.678 0.375 186 1HB ARG 25 HBS ARG 25 -6.741 11.859 -1.617 187 2HB ARG 25 HBR ARG 25 -6.660 10.130 -2.063 188 1HG ARG 25 HGS ARG 25 -8.727 9.787 -1.315 189 2HG ARG 25 HGR ARG 25 -8.311 10.472 0.282 190 1HD ARG 25 HDS ARG 25 -8.649 12.731 -0.653 191 2HD ARG 25 HDR ARG 25 -9.187 11.980 -2.182 192 HE ARG 25 HE ARG 25 -10.722 10.900 -0.068 193 1HH1 ARG 25 HH1 ARG 25 -10.159 14.100 -1.436 194 2HH1 ARG 25 HH1 ARG 25 -11.805 14.597 -1.230 195 1HH2 ARG 25 HH2 ARG 25 -12.893 11.539 0.066 196 2HH2 ARG 25 HH2 ARG 25 -13.352 13.150 -0.378 197 H ILE 26 HN ILE 26 -4.368 12.359 -1.271 198 HA ILE 26 HA ILE 26 -2.707 10.755 -2.815 199 HB ILE 26 HB ILE 26 -3.172 13.258 -3.020 200 1HG1 ILE 26 HG1 ILE 26 -0.595 13.601 -3.747 201 2HG1 ILE 26 HG1 ILE 26 -0.589 11.835 -3.481 202 1HG2 ILE 26 HMG ILE 26 -1.017 13.397 -0.912 203 2HG2 ILE 26 HMG ILE 26 -1.384 14.742 -2.025 204 3HG2 ILE 26 HMG ILE 26 -2.636 14.144 -0.904 205 1HD1 ILE 26 HMD ILE 26 -2.846 12.880 -5.086 206 2HD1 ILE 26 HMD ILE 26 -1.231 13.025 -5.829 207 3HD1 ILE 26 HMD ILE 26 -1.838 11.427 -5.315 208 H THR 27 HN THR 27 -2.329 11.829 0.517 209 HA THR 27 HA THR 27 0.430 11.096 0.861 210 HB THR 27 HB THR 27 -1.790 11.159 2.981 211 HG1 THR 27 HG1 THR 27 0.002 12.985 2.066 212 1HG2 THR 27 HMG THR 27 0.995 10.567 3.173 213 2HG2 THR 27 HMG THR 27 0.689 12.128 3.976 214 3HG2 THR 27 HMG THR 27 -0.228 10.681 4.466 215 H LEU 28 HN LEU 28 -2.600 9.467 1.876 216 HA LEU 28 HA LEU 28 -1.521 6.944 2.344 217 1HB LEU 28 HBS LEU 28 -3.878 8.090 2.674 218 2HB LEU 28 HBR LEU 28 -4.247 7.271 1.133 219 HG LEU 28 HG LEU 28 -4.120 5.150 2.079 220 1HD1 LEU 28 HMD LEU 28 -1.989 5.515 3.332 221 2HD1 LEU 28 HMD LEU 28 -2.926 6.345 4.600 222 3HD1 LEU 28 HMD LEU 28 -3.228 4.624 4.251 223 1HD2 LEU 28 HMD LEU 28 -5.794 7.103 3.059 224 2HD2 LEU 28 HMD LEU 28 -5.971 5.350 3.326 225 3HD2 LEU 28 HMD LEU 28 -5.154 6.359 4.546 226 H ALA 29 HN ALA 29 -1.876 8.602 -0.628 227 HA ALA 29 HA ALA 29 -1.456 6.247 -2.280 228 1HB ALA 29 HMB ALA 29 -2.025 9.027 -2.652 229 2HB ALA 29 HMB ALA 29 -0.581 8.593 -3.602 230 3HB ALA 29 HMB ALA 29 -2.098 7.686 -3.824 231 H LYS 30 HN LYS 30 0.596 9.097 -1.532 232 HA LYS 30 HA LYS 30 2.941 8.068 -2.588 233 1HB LYS 30 HBS LYS 30 2.278 10.434 -1.490 234 2HB LYS 30 HBR LYS 30 3.233 9.746 -0.146 235 1HG LYS 30 HGR LYS 30 5.126 10.309 -1.187 236 2HG LYS 30 HGS LYS 30 4.667 9.302 -2.590 237 1HD LYS 30 HDS LYS 30 3.895 12.189 -2.154 238 2HD LYS 30 HDR LYS 30 5.189 11.616 -3.171 239 1HE LYS 30 HES LYS 30 2.749 10.248 -3.852 240 2HE LYS 30 HER LYS 30 2.533 12.021 -3.885 241 1HZ LYS 30 HZA LYS 30 4.902 10.901 -5.123 242 2HZ LYS 30 HZB LYS 30 3.481 10.736 -5.913 243 3HZ LYS 30 HZC LYS 30 4.037 12.224 -5.535 244 H ILE 31 HN ILE 31 1.449 7.440 0.509 245 HA ILE 31 HA ILE 31 3.557 5.830 1.652 246 HB ILE 31 HB ILE 31 0.537 6.017 1.997 247 1HG1 ILE 31 HG1 ILE 31 2.055 6.421 4.393 248 2HG1 ILE 31 HG1 ILE 31 2.832 7.339 3.072 249 1HG2 ILE 31 HMG ILE 31 1.388 3.628 2.346 250 2HG2 ILE 31 HMG ILE 31 2.234 4.279 3.775 251 3HG2 ILE 31 HMG ILE 31 0.459 4.392 3.663 252 1HD1 ILE 31 HMD ILE 31 -0.125 7.563 3.296 253 2HD1 ILE 31 HMD ILE 31 0.842 8.328 4.586 254 3HD1 ILE 31 HMD ILE 31 1.098 8.794 2.884 255 H LEU 32 HN LEU 32 0.461 4.725 0.253 256 HA LEU 32 HA LEU 32 1.175 2.112 0.244 257 1HB LEU 32 HBS LEU 32 -0.903 3.801 -0.962 258 2HB LEU 32 HBR LEU 32 -0.665 2.242 -1.802 259 HG LEU 32 HG LEU 32 -2.484 2.234 -0.107 260 1HD1 LEU 32 HMD LEU 32 -0.061 0.455 0.298 261 2HD1 LEU 32 HMD LEU 32 -1.680 0.117 0.959 262 3HD1 LEU 32 HMD LEU 32 -1.435 0.187 -0.804 263 1HD2 LEU 32 HMD LEU 32 -0.147 2.594 1.796 264 2HD2 LEU 32 HMD LEU 32 -1.535 3.688 1.574 265 3HD2 LEU 32 HMD LEU 32 -1.781 2.070 2.276 266 H GLU 33 HN GLU 33 1.726 4.439 -2.344 267 HA GLU 33 HA GLU 33 2.700 2.547 -4.257 268 1HB GLU 33 HBS GLU 33 3.559 4.510 -5.334 269 2HB GLU 33 HBR GLU 33 1.917 4.621 -5.002 270 1HG GLU 33 HGS GLU 33 2.388 6.668 -4.129 271 2HG GLU 33 HGR GLU 33 3.132 5.849 -2.729 272 H GLU 34 HN GLU 34 4.330 4.745 -1.945 273 HA GLU 34 HA GLU 34 6.971 3.985 -2.648 274 1HB GLU 34 HBS GLU 34 6.145 5.981 -1.506 275 2HB GLU 34 HBR GLU 34 5.794 5.127 -0.104 276 1HG GLU 34 HGS GLU 34 7.913 5.525 0.601 277 2HG GLU 34 HGR GLU 34 8.569 4.545 -0.738 278 H MET 35 HN MET 35 4.686 2.776 -0.211 279 HA MET 35 HA MET 35 6.382 0.754 0.919 280 1HB MET 35 HBR MET 35 3.368 0.732 0.586 281 2HB MET 35 HBS MET 35 4.336 -0.257 1.709 282 1HG MET 35 HGS MET 35 4.447 2.788 1.773 283 2HG MET 35 HGR MET 35 3.164 1.892 2.617 284 1HE MET 35 HME MET 35 6.812 2.746 2.220 285 2HE MET 35 HME MET 35 6.192 3.688 3.598 286 3HE MET 35 HME MET 35 7.482 2.486 3.850 287 H GLY 36 HN GLY 36 4.127 0.860 -1.837 288 1HA GLY 36 HAR GLY 36 4.337 -1.820 -2.607 289 2HA GLY 36 HAS GLY 36 3.913 -0.472 -3.699 290 H ARG 37 HN ARG 37 6.191 1.019 -3.763 291 HA ARG 37 HA ARG 37 8.049 -0.410 -5.399 292 1HB ARG 37 HBR ARG 37 7.566 2.206 -4.980 293 2HB ARG 37 HBS ARG 37 8.983 1.990 -3.911 294 1HG ARG 37 HGS ARG 37 9.986 0.808 -6.062 295 2HG ARG 37 HGR ARG 37 8.776 1.824 -6.896 296 1HD ARG 37 HDS ARG 37 9.862 3.726 -6.443 297 2HD ARG 37 HDR ARG 37 10.372 3.175 -4.822 298 HE ARG 37 HE ARG 37 12.044 1.733 -6.160 299 1HH1 ARG 37 HH1 ARG 37 11.056 5.033 -6.909 300 2HH1 ARG 37 HH1 ARG 37 12.448 5.342 -7.893 301 1HH2 ARG 37 HH2 ARG 37 13.784 2.131 -7.558 302 2HH2 ARG 37 HH2 ARG 37 13.991 3.701 -8.259 303 H ASP 38 HN ASP 38 7.605 -0.111 -1.984 304 HA ASP 38 HA ASP 38 10.335 -0.741 -1.347 305 1HB ASP 38 HBS ASP 38 7.972 0.156 0.068 306 2HB ASP 38 HBR ASP 38 8.886 -1.080 0.981 307 H ILE 39 HN ILE 39 7.261 -2.524 -1.214 308 HA ILE 39 HA ILE 39 8.436 -5.029 -0.334 309 HB ILE 39 HB ILE 39 5.860 -4.669 -1.927 310 1HG1 ILE 39 HG1 ILE 39 5.951 -4.552 1.092 311 2HG1 ILE 39 HG1 ILE 39 6.170 -3.079 0.105 312 1HG2 ILE 39 HMG ILE 39 6.627 -6.970 -1.566 313 2HG2 ILE 39 HMG ILE 39 6.622 -6.687 0.194 314 3HG2 ILE 39 HMG ILE 39 5.094 -6.625 -0.724 315 1HD1 ILE 39 HMD ILE 39 3.786 -4.906 -0.215 316 2HD1 ILE 39 HMD ILE 39 3.821 -3.567 0.962 317 3HD1 ILE 39 HMD ILE 39 3.988 -3.226 -0.781 318 H ALA 40 HN ALA 40 8.367 -3.177 -3.223 319 HA ALA 40 HA ALA 40 8.614 -5.305 -5.171 320 1HB ALA 40 HMB ALA 40 7.987 -2.860 -5.572 321 2HB ALA 40 HMB ALA 40 9.727 -2.511 -5.408 322 3HB ALA 40 HMB ALA 40 9.156 -3.608 -6.690 323 H SER 41 HN SER 41 11.065 -2.875 -4.245 324 HA SER 41 HA SER 41 13.189 -4.375 -5.218 325 1HB SER 41 HBS SER 41 13.099 -2.122 -3.213 326 2HB SER 41 HBR SER 41 14.632 -2.856 -3.766 327 HG SER 41 HG SER 41 12.891 -1.030 -4.905 328 H GLU 42 HN GLU 42 11.515 -4.695 -2.222 329 HA GLU 42 HA GLU 42 13.443 -6.414 -0.949 330 1HB GLU 42 HBS GLU 42 10.925 -5.266 -0.540 331 2HB GLU 42 HBR GLU 42 10.638 -6.909 -0.357 332 1HG GLU 42 HGS GLU 42 11.161 -5.809 1.789 333 2HG GLU 42 HGR GLU 42 12.446 -7.002 1.455 334 H ALA 43 HN ALA 43 10.419 -7.055 -2.780 335 HA ALA 43 HA ALA 43 10.734 -9.930 -2.807 336 1HB ALA 43 HMB ALA 43 8.571 -8.789 -3.089 337 2HB ALA 43 HMB ALA 43 9.142 -8.112 -4.636 338 3HB ALA 43 HMB ALA 43 8.960 -9.875 -4.449 339 H ILE 44 HN ILE 44 12.203 -7.298 -4.442 340 HA ILE 44 HA ILE 44 13.020 -8.919 -6.724 341 HB ILE 44 HB ILE 44 13.481 -6.015 -5.897 342 1HG1 ILE 44 HG1 ILE 44 11.833 -7.221 -8.151 343 2HG1 ILE 44 HG1 ILE 44 11.193 -6.732 -6.557 344 1HG2 ILE 44 HMG ILE 44 14.597 -7.517 -8.243 345 2HG2 ILE 44 HMG ILE 44 14.197 -5.784 -8.377 346 3HG2 ILE 44 HMG ILE 44 15.383 -6.335 -7.164 347 1HD1 ILE 44 HMD ILE 44 12.481 -4.454 -7.392 348 2HD1 ILE 44 HMD ILE 44 11.843 -5.114 -8.920 349 3HD1 ILE 44 HMD ILE 44 10.736 -4.781 -7.563 350 H LYS 45 HN LYS 45 14.717 -7.061 -4.168 351 HA LYS 45 HA LYS 45 17.220 -8.373 -4.337 352 1HB LYS 45 HBR LYS 45 15.750 -7.180 -1.968 353 2HB LYS 45 HBS LYS 45 17.419 -7.812 -1.897 354 1HG LYS 45 HGR LYS 45 17.314 -6.026 -4.105 355 2HG LYS 45 HGS LYS 45 16.481 -5.217 -2.746 356 1HD LYS 45 HDS LYS 45 18.790 -6.399 -1.660 357 2HD LYS 45 HDR LYS 45 19.285 -5.708 -3.181 358 1HE LYS 45 HES LYS 45 19.404 -4.245 -1.070 359 2HE LYS 45 HER LYS 45 18.758 -3.559 -2.587 360 1HZ LYS 45 HZB LYS 45 16.826 -4.796 -0.866 361 2HZ LYS 45 HZC LYS 45 17.510 -3.441 -0.263 362 3HZ LYS 45 HZA LYS 45 16.739 -3.396 -1.702 363 H LEU 46 HN LEU 46 14.124 -9.500 -3.361 364 HA LEU 46 HA LEU 46 15.109 -11.815 -1.880 365 1HB LEU 46 HBR LEU 46 12.508 -10.667 -2.773 366 2HB LEU 46 HBS LEU 46 12.578 -12.433 -2.507 367 HG LEU 46 HG LEU 46 13.488 -10.489 -0.393 368 1HD1 LEU 46 HMD LEU 46 10.702 -11.283 -1.187 369 2HD1 LEU 46 HMD LEU 46 11.101 -11.069 0.537 370 3HD1 LEU 46 HMD LEU 46 11.319 -9.717 -0.602 371 1HD2 LEU 46 HMD LEU 46 13.189 -13.351 -0.757 372 2HD2 LEU 46 HMD LEU 46 13.979 -12.447 0.559 373 3HD2 LEU 46 HMD LEU 46 12.230 -12.779 0.631 374 H ALA 47 HN ALA 47 13.841 -11.115 -5.142 375 HA ALA 47 HA ALA 47 14.128 -13.672 -6.245 376 1HB ALA 47 HMB ALA 47 13.603 -11.022 -7.156 377 2HB ALA 47 HMB ALA 47 14.840 -11.746 -8.213 378 3HB ALA 47 HMB ALA 47 13.282 -12.575 -7.967 379 H ARG 48 HN ARG 48 16.525 -11.341 -5.327 380 HA ARG 48 HA ARG 48 18.695 -12.879 -6.581 381 1HB ARG 48 HBR ARG 48 18.906 -10.453 -6.447 382 2HB ARG 48 HBS ARG 48 18.756 -10.522 -4.668 383 1HG ARG 48 HGS ARG 48 20.888 -12.257 -5.582 384 2HG ARG 48 HGR ARG 48 21.113 -10.597 -6.204 385 1HD ARG 48 HDS ARG 48 20.262 -10.504 -3.473 386 2HD ARG 48 HDR ARG 48 21.663 -11.599 -3.633 387 HE ARG 48 HE ARG 48 21.648 -8.719 -3.945 388 1HH1 ARG 48 HH1 ARG 48 23.379 -11.730 -4.551 389 2HH1 ARG 48 HH1 ARG 48 24.848 -10.924 -4.988 390 1HH2 ARG 48 HH2 ARG 48 23.547 -7.699 -4.647 391 2HH2 ARG 48 HH2 ARG 48 24.945 -8.643 -5.042 392 H HIS 49 HN HIS 49 17.590 -12.027 -3.281 393 HA HIS 49 HA HIS 49 19.425 -13.567 -1.896 394 1HB HIS 49 HBS HIS 49 17.892 -11.917 -0.812 395 2HB HIS 49 HBR HIS 49 16.554 -13.088 -0.988 396 HD1 HIS 49 HD1 HIS 49 16.397 -14.935 0.805 397 HD2 HIS 49 HD2 HIS 49 19.932 -12.742 0.991 398 HE1 HIS 49 HE1 HIS 49 17.480 -15.525 2.987 399 HE2 HIS 49 HE2 HIS 49 19.610 -14.185 3.115 400 H ALA 50 HN ALA 50 16.775 -14.626 -3.791 401 HA ALA 50 HA ALA 50 16.809 -17.347 -2.669 402 1HB ALA 50 HMB ALA 50 15.330 -16.007 -4.938 403 2HB ALA 50 HMB ALA 50 15.273 -17.764 -4.643 404 3HB ALA 50 HMB ALA 50 14.686 -16.632 -3.398 405 H GLY 51 HN GLY 51 17.773 -15.613 -5.637 406 1HA GLY 51 HAR GLY 51 19.547 -16.289 -7.130 407 2HA GLY 51 HAS GLY 51 19.433 -17.944 -6.474 408 H ARG 52 HN ARG 52 16.853 -15.704 -7.515 409 HA ARG 52 HA ARG 52 15.773 -17.934 -9.165 410 1HB ARG 52 HBR ARG 52 14.689 -16.513 -6.966 411 2HB ARG 52 HBS ARG 52 13.791 -15.986 -8.419 412 1HG ARG 52 HGS ARG 52 14.239 -18.913 -7.838 413 2HG ARG 52 HGR ARG 52 12.910 -18.007 -7.060 414 1HD ARG 52 HDS ARG 52 11.683 -18.190 -8.875 415 2HD ARG 52 HDR ARG 52 12.953 -17.393 -9.844 416 HE ARG 52 HE ARG 52 13.953 -19.808 -9.865 417 1HH1 ARG 52 HH1 ARG 52 10.593 -18.826 -10.279 418 2HH1 ARG 52 HH1 ARG 52 10.145 -20.300 -11.070 419 1HH2 ARG 52 HH2 ARG 52 13.302 -21.774 -10.788 420 2HH2 ARG 52 HH2 ARG 52 11.678 -21.968 -11.360 421 H LYS 53 HN LYS 53 14.381 -17.340 -10.940 422 HA LYS 53 HA LYS 53 14.869 -14.609 -12.031 423 1HB LYS 53 HBS LYS 53 14.588 -17.238 -13.509 424 2HB LYS 53 HBR LYS 53 14.334 -15.647 -14.280 425 1HG LYS 53 HGR LYS 53 16.531 -15.419 -14.607 426 2HG LYS 53 HGS LYS 53 16.840 -15.617 -12.859 427 1HD LYS 53 HDS LYS 53 17.788 -17.557 -13.209 428 2HD LYS 53 HDR LYS 53 16.276 -18.173 -13.818 429 1HE LYS 53 HES LYS 53 16.810 -17.660 -16.061 430 2HE LYS 53 HER LYS 53 18.211 -16.675 -15.554 431 1HZ LYS 53 HZB LYS 53 18.781 -19.019 -14.478 432 2HZ LYS 53 HZC LYS 53 17.981 -19.521 -15.811 433 3HZ LYS 53 HZA LYS 53 19.292 -18.558 -15.960 434 H THR 54 HN THR 54 13.110 -13.561 -12.883 435 HA THR 54 HA THR 54 10.910 -12.909 -12.980 436 HB THR 54 HB THR 54 10.041 -15.782 -12.370 437 HG1 THR 54 HG1 THR 54 11.111 -16.112 -13.806 438 1HG2 THR 54 HMG THR 54 8.643 -13.341 -13.067 439 2HG2 THR 54 HMG THR 54 8.350 -14.624 -14.269 440 3HG2 THR 54 HMG THR 54 8.000 -14.920 -12.547 441 H ILE 55 HN ILE 55 9.190 -12.422 -11.510 442 HA ILE 55 HA ILE 55 9.869 -13.012 -8.670 443 HB ILE 55 HB ILE 55 8.324 -10.645 -9.841 444 1HG1 ILE 55 HG1 ILE 55 10.795 -10.776 -10.351 445 2HG1 ILE 55 HG1 ILE 55 10.246 -9.301 -9.507 446 1HG2 ILE 55 HMG ILE 55 7.562 -11.222 -7.592 447 2HG2 ILE 55 HMG ILE 55 9.241 -11.132 -6.998 448 3HG2 ILE 55 HMG ILE 55 8.434 -9.667 -7.613 449 1HD1 ILE 55 HMD ILE 55 11.065 -10.253 -7.375 450 2HD1 ILE 55 HMD ILE 55 11.677 -11.669 -8.268 451 3HD1 ILE 55 HMD ILE 55 12.358 -10.052 -8.587 452 H LYS 56 HN LYS 56 8.042 -13.193 -7.213 453 HA LYS 56 HA LYS 56 5.654 -14.450 -8.465 454 1HB LYS 56 HBS LYS 56 7.827 -15.920 -7.656 455 2HB LYS 56 HBR LYS 56 6.815 -15.905 -6.184 456 1HG LYS 56 HGR LYS 56 4.901 -16.749 -7.540 457 2HG LYS 56 HGS LYS 56 5.986 -16.851 -8.956 458 1HD LYS 56 HDS LYS 56 5.796 -19.021 -8.034 459 2HD LYS 56 HDR LYS 56 7.410 -18.414 -7.783 460 1HE LYS 56 HES LYS 56 5.994 -17.659 -5.485 461 2HE LYS 56 HER LYS 56 5.507 -19.337 -5.860 462 1HZ LYS 56 HZA LYS 56 8.285 -18.956 -6.153 463 2HZ LYS 56 HZB LYS 56 7.804 -18.555 -4.646 464 3HZ LYS 56 HZC LYS 56 7.480 -20.042 -5.236 465 H ALA 57 HN ALA 57 4.091 -15.148 -6.739 466 HA ALA 57 HA ALA 57 3.497 -12.982 -4.993 467 1HB ALA 57 HMB ALA 57 2.374 -15.795 -5.090 468 2HB ALA 57 HMB ALA 57 1.664 -14.413 -4.218 469 3HB ALA 57 HMB ALA 57 1.781 -14.380 -5.996 470 H GLU 58 HN GLU 58 5.499 -15.749 -4.649 471 HA GLU 58 HA GLU 58 5.577 -15.681 -1.713 472 1HB GLU 58 HBR GLU 58 7.101 -17.056 -3.921 473 2HB GLU 58 HBS GLU 58 7.703 -16.998 -2.355 474 1HG GLU 58 HGS GLU 58 4.891 -17.895 -2.622 475 2HG GLU 58 HGR GLU 58 6.149 -19.084 -3.058 476 H ASP 59 HN ASP 59 6.925 -13.995 -4.403 477 HA ASP 59 HA ASP 59 9.255 -13.096 -2.954 478 1HB ASP 59 HBR ASP 59 8.181 -12.295 -5.659 479 2HB ASP 59 HBS ASP 59 9.735 -11.763 -4.954 480 H ILE 60 HN ILE 60 6.136 -11.709 -3.884 481 HA ILE 60 HA ILE 60 6.472 -9.237 -2.417 482 HB ILE 60 HB ILE 60 4.152 -10.811 -3.574 483 1HG1 ILE 60 HG1 ILE 60 3.855 -8.825 -4.923 484 2HG1 ILE 60 HG1 ILE 60 5.087 -7.948 -3.970 485 1HG2 ILE 60 HMG ILE 60 3.872 -8.501 -1.654 486 2HG2 ILE 60 HMG ILE 60 2.643 -8.903 -2.882 487 3HG2 ILE 60 HMG ILE 60 3.065 -10.091 -1.620 488 1HD1 ILE 60 HMD ILE 60 5.949 -10.486 -5.263 489 2HD1 ILE 60 HMD ILE 60 5.611 -9.103 -6.337 490 3HD1 ILE 60 HMD ILE 60 6.823 -8.947 -5.039 491 H GLU 61 HN GLU 61 5.176 -12.491 -1.702 492 HA GLU 61 HA GLU 61 4.083 -11.900 0.769 493 1HB GLU 61 HBR GLU 61 5.125 -14.339 -0.601 494 2HB GLU 61 HBS GLU 61 4.880 -14.440 1.057 495 1HG GLU 61 HGS GLU 61 2.595 -13.943 1.017 496 2HG GLU 61 HGR GLU 61 2.603 -13.442 -0.696 497 H LEU 62 HN LEU 62 7.337 -13.231 0.086 498 HA LEU 62 HA LEU 62 8.152 -13.022 2.821 499 1HB LEU 62 HBR LEU 62 8.931 -14.311 0.464 500 2HB LEU 62 HBS LEU 62 10.304 -13.245 0.880 501 HG LEU 62 HG LEU 62 10.433 -14.297 3.095 502 1HD1 LEU 62 HMD LEU 62 7.939 -14.991 2.997 503 2HD1 LEU 62 HMD LEU 62 8.527 -16.404 2.083 504 3HD1 LEU 62 HMD LEU 62 9.108 -16.112 3.742 505 1HD2 LEU 62 HMD LEU 62 10.839 -15.580 0.491 506 2HD2 LEU 62 HMD LEU 62 11.945 -15.422 1.879 507 3HD2 LEU 62 HMD LEU 62 10.746 -16.740 1.840 508 H ALA 63 HN ALA 63 8.468 -10.966 -0.016 509 HA ALA 63 HA ALA 63 10.264 -9.035 0.991 510 1HB ALA 63 HMB ALA 63 7.929 -8.893 -0.917 511 2HB ALA 63 HMB ALA 63 8.927 -7.473 -0.514 512 3HB ALA 63 HMB ALA 63 9.674 -8.901 -1.275 513 H VAL 64 HN VAL 64 6.717 -9.317 1.304 514 HA VAL 64 HA VAL 64 6.590 -6.797 2.588 515 HB VAL 64 HB VAL 64 4.978 -8.341 1.073 516 1HG1 VAL 64 HMG VAL 64 4.171 -9.784 2.831 517 2HG1 VAL 64 HMG VAL 64 3.642 -8.386 3.796 518 3HG1 VAL 64 HMG VAL 64 2.858 -8.741 2.238 519 1HG2 VAL 64 HMG VAL 64 5.013 -5.743 2.062 520 2HG2 VAL 64 HMG VAL 64 3.993 -6.404 0.761 521 3HG2 VAL 64 HMG VAL 64 3.376 -6.337 2.429 522 H ARG 65 HN ARG 65 5.649 -10.022 3.843 523 HA ARG 65 HA ARG 65 5.427 -9.355 6.491 524 1HB ARG 65 HBS ARG 65 4.826 -11.544 5.596 525 2HB ARG 65 HBR ARG 65 6.555 -11.947 5.382 526 1HG ARG 65 HGS ARG 65 6.316 -11.214 8.074 527 2HG ARG 65 HGR ARG 65 4.857 -12.188 7.732 528 1HD ARG 65 HDS ARG 65 6.044 -14.065 7.275 529 2HD ARG 65 HDR ARG 65 7.480 -13.159 6.720 530 HE ARG 65 HE ARG 65 6.909 -12.910 9.568 531 1HH1 ARG 65 HH1 ARG 65 8.402 -14.997 7.151 532 2HH1 ARG 65 HH1 ARG 65 9.639 -15.546 8.231 533 1HH2 ARG 65 HH2 ARG 65 8.618 -13.552 10.912 534 2HH2 ARG 65 HH2 ARG 65 9.763 -14.730 10.359 535 H ARG 66 HN ARG 66 8.379 -9.839 4.659 536 HA ARG 66 HA ARG 66 10.036 -9.550 7.062 537 1HB ARG 66 HBR ARG 66 10.597 -11.097 5.149 538 2HB ARG 66 HBS ARG 66 10.927 -9.642 4.166 539 1HG ARG 66 HGS ARG 66 12.318 -10.083 6.808 540 2HG ARG 66 HGR ARG 66 12.905 -10.868 5.314 541 1HD ARG 66 HDS ARG 66 12.343 -8.112 4.797 542 2HD ARG 66 HDR ARG 66 13.390 -8.252 6.238 543 HE ARG 66 HE ARG 66 14.109 -8.827 3.492 544 1HH1 ARG 66 HH1 ARG 66 14.712 -9.903 6.795 545 2HH1 ARG 66 HH1 ARG 66 16.371 -10.287 6.483 546 1HH2 ARG 66 HH2 ARG 66 16.317 -9.215 3.158 547 2HH2 ARG 66 HH2 ARG 66 17.280 -9.899 4.424 548 H PHE 67 HN PHE 67 8.599 -7.566 4.658 549 HA PHE 67 HA PHE 67 10.310 -5.305 4.732 550 1HB PHE 67 HBR PHE 67 8.328 -5.549 3.183 551 2HB PHE 67 HBS PHE 67 7.271 -5.200 4.582 552 HD1 PHE 67 HD2 PHE 67 10.353 -3.669 2.961 553 HD2 PHE 67 HD1 PHE 67 6.531 -3.136 4.768 554 HE1 PHE 67 HE2 PHE 67 10.579 -1.219 2.706 555 HE2 PHE 67 HE1 PHE 67 6.744 -0.702 4.550 556 HZ PHE 67 HZ PHE 67 8.717 0.253 3.418 557 H LYS 68 HN LYS 68 7.332 -5.948 6.623 558 HA LYS 68 HA LYS 68 6.688 -5.300 8.730 559 1HB LYS 68 HBS LYS 68 9.587 -5.475 8.976 560 2HB LYS 68 HBR LYS 68 8.909 -4.155 9.970 561 1HG LYS 68 HGR LYS 68 7.986 -5.586 11.445 562 2HG LYS 68 HGS LYS 68 7.389 -6.671 10.156 563 1HD LYS 68 HDS LYS 68 10.275 -6.792 10.404 564 2HD LYS 68 HDR LYS 68 9.497 -7.096 11.933 565 1HE LYS 68 HES LYS 68 8.769 -9.102 11.329 566 2HE LYS 68 HER LYS 68 8.179 -8.490 9.759 567 1HZ LYS 68 HZA LYS 68 10.565 -8.512 9.087 568 2HZ LYS 68 HZB LYS 68 10.889 -9.376 10.434 569 3HZ LYS 68 HZC LYS 68 9.885 -9.982 9.298 570 H LYS 69 HN LYS 69 9.407 -3.056 8.120 571 HA LYS 69 HA LYS 69 7.430 -0.826 8.022 572 1HB LYS 69 HBR LYS 69 10.123 -0.973 9.364 573 2HB LYS 69 HBS LYS 69 9.503 0.575 8.726 574 1HG LYS 69 HGR LYS 69 7.925 0.775 10.356 575 2HG LYS 69 HGS LYS 69 7.641 -0.986 10.449 576 1HD LYS 69 HDS LYS 69 9.910 0.570 11.685 577 2HD LYS 69 HDR LYS 69 8.559 -0.170 12.499 578 1HE LYS 69 HES LYS 69 9.295 -2.390 11.851 579 2HE LYS 69 HER LYS 69 10.652 -1.667 10.943 580 1HZ LYS 69 HZC LYS 69 11.283 -0.658 13.130 581 2HZ LYS 69 HZA LYS 69 10.229 -1.684 13.840 582 3HZ LYS 69 HZB LYS 69 11.500 -2.271 12.999 583 1H MET 1 HNC MET 1 -8.001 1.442 -11.438 584 2H MET 1 HNB MET 1 -8.888 2.488 -12.325 585 3H MET 1 HN MET 1 -8.007 3.032 -11.062 586 HA MET 1 HA MET 1 -10.139 3.060 -10.307 587 1HB MET 1 HBS MET 1 -11.401 0.753 -10.378 588 2HB MET 1 HBR MET 1 -11.450 1.895 -11.747 589 1HG MET 1 HGS MET 1 -9.830 0.604 -12.989 590 2HG MET 1 HGR MET 1 -9.473 -0.411 -11.573 591 1HE MET 1 HME MET 1 -9.955 -2.466 -13.216 592 2HE MET 1 HME MET 1 -11.510 -2.785 -14.024 593 3HE MET 1 HME MET 1 -10.492 -1.424 -14.557 594 H GLU 2 HN GLU 2 -9.674 -0.376 -9.786 595 HA GLU 2 HA GLU 2 -8.799 -0.041 -7.013 596 1HB GLU 2 HBR GLU 2 -8.524 -2.525 -8.659 597 2HB GLU 2 HBS GLU 2 -8.725 -2.335 -7.004 598 1HG GLU 2 HGS GLU 2 -10.835 -2.043 -9.097 599 2HG GLU 2 HGR GLU 2 -10.891 -3.117 -7.673 600 H LEU 3 HN LEU 3 -6.795 -2.006 -6.970 601 HA LEU 3 HA LEU 3 -4.562 -0.628 -8.350 602 1HB LEU 3 HBR LEU 3 -4.052 -2.785 -6.385 603 2HB LEU 3 HBS LEU 3 -3.274 -1.192 -6.587 604 HG LEU 3 HG LEU 3 -5.828 -1.833 -5.093 605 1HD1 LEU 3 HMD LEU 3 -3.133 -1.849 -4.341 606 2HD1 LEU 3 HMD LEU 3 -3.763 -0.289 -3.756 607 3HD1 LEU 3 HMD LEU 3 -4.552 -1.808 -3.264 608 1HD2 LEU 3 HMD LEU 3 -4.895 0.607 -6.389 609 2HD2 LEU 3 HMD LEU 3 -6.463 0.242 -5.627 610 3HD2 LEU 3 HMD LEU 3 -5.102 0.815 -4.631 611 HA PRO 4 HA PRO 4 -4.648 -4.186 -11.134 612 1HB PRO 4 HBR PRO 4 -3.932 -2.627 -13.194 613 2HB PRO 4 HBS PRO 4 -5.452 -3.186 -12.924 614 1HG PRO 4 HGS PRO 4 -4.508 -0.602 -12.640 615 2HG PRO 4 HGR PRO 4 -6.091 -1.124 -12.659 616 1HD PRO 4 HDS PRO 4 -4.641 -0.370 -10.468 617 2HD PRO 4 HDR PRO 4 -6.186 -0.955 -10.483 618 H ILE 5 HN ILE 5 -2.976 -5.381 -11.847 619 HA ILE 5 HA ILE 5 -0.511 -4.921 -10.616 620 HB ILE 5 HB ILE 5 0.349 -6.755 -12.006 621 1HG1 ILE 5 HG1 ILE 5 -0.778 -5.854 -14.108 622 2HG1 ILE 5 HG1 ILE 5 -0.695 -7.628 -13.919 623 1HG2 ILE 5 HMG ILE 5 -1.098 -7.311 -10.109 624 2HG2 ILE 5 HMG ILE 5 -2.513 -7.307 -11.194 625 3HG2 ILE 5 HMG ILE 5 -1.217 -8.510 -11.424 626 1HD1 ILE 5 HMD ILE 5 -3.104 -7.312 -12.897 627 2HD1 ILE 5 HMD ILE 5 -3.065 -5.799 -13.841 628 3HD1 ILE 5 HMD ILE 5 -2.850 -7.369 -14.661 629 H ALA 6 HN ALA 6 -1.817 -3.471 -13.422 630 HA ALA 6 HA ALA 6 0.614 -2.895 -14.807 631 1HB ALA 6 HMB ALA 6 -2.224 -2.107 -14.951 632 2HB ALA 6 HMB ALA 6 -1.071 -0.872 -15.515 633 3HB ALA 6 HMB ALA 6 -1.066 -2.497 -16.246 634 HA PRO 7 HA PRO 7 0.368 1.276 -12.297 635 1HB PRO 7 HBR PRO 7 -1.273 1.074 -10.169 636 2HB PRO 7 HBS PRO 7 -1.559 1.982 -11.507 637 1HG PRO 7 HGS PRO 7 -2.711 -0.457 -10.786 638 2HG PRO 7 HGR PRO 7 -3.297 0.699 -11.838 639 1HD PRO 7 HDS PRO 7 -2.223 -1.623 -12.595 640 2HD PRO 7 HDR PRO 7 -2.393 -0.302 -13.577 641 H ILE 8 HN ILE 8 -0.461 -1.246 -10.041 642 HA ILE 8 HA ILE 8 1.602 -0.739 -8.269 643 HB ILE 8 HB ILE 8 0.195 -3.382 -8.889 644 1HG1 ILE 8 HG1 ILE 8 -0.383 -1.101 -6.970 645 2HG1 ILE 8 HG1 ILE 8 -1.380 -1.678 -8.335 646 1HG2 ILE 8 HMG ILE 8 2.296 -3.739 -7.636 647 2HG2 ILE 8 HMG ILE 8 1.691 -2.642 -6.365 648 3HG2 ILE 8 HMG ILE 8 0.835 -4.170 -6.707 649 1HD1 ILE 8 HMD ILE 8 -0.785 -3.612 -6.144 650 2HD1 ILE 8 HMD ILE 8 -1.929 -2.288 -5.800 651 3HD1 ILE 8 HMD ILE 8 -2.249 -3.416 -7.144 652 H GLY 9 HN GLY 9 1.564 -3.247 -10.829 653 1HA GLY 9 HAR GLY 9 4.126 -4.199 -10.491 654 2HA GLY 9 HAS GLY 9 3.267 -4.208 -12.054 655 H ARG 10 HN ARG 10 3.111 -1.182 -11.914 656 HA ARG 10 HA ARG 10 5.616 -0.708 -13.366 657 1HB ARG 10 HBR ARG 10 3.517 0.183 -14.253 658 2HB ARG 10 HBS ARG 10 3.284 1.138 -12.761 659 1HG ARG 10 HGS ARG 10 4.111 2.657 -14.365 660 2HG ARG 10 HGR ARG 10 5.502 2.269 -13.313 661 1HD ARG 10 HDS ARG 10 6.197 0.566 -14.976 662 2HD ARG 10 HDR ARG 10 4.888 1.146 -16.046 663 HE ARG 10 HE ARG 10 7.451 2.364 -15.658 664 1HH1 ARG 10 HH1 ARG 10 4.083 2.994 -16.489 665 2HH1 ARG 10 HH1 ARG 10 4.423 4.560 -17.143 666 1HH2 ARG 10 HH2 ARG 10 7.837 4.470 -16.403 667 2HH2 ARG 10 HH2 ARG 10 6.549 5.395 -17.097 668 H ILE 11 HN ILE 11 4.163 -0.073 -10.248 669 HA ILE 11 HA ILE 11 6.200 1.776 -9.322 670 HB ILE 11 HB ILE 11 4.244 -0.028 -7.812 671 1HG1 ILE 11 HG1 ILE 11 4.082 2.965 -8.320 672 2HG1 ILE 11 HG1 ILE 11 3.315 1.737 -9.368 673 1HG2 ILE 11 HMG ILE 11 6.224 0.605 -6.459 674 2HG2 ILE 11 HMG ILE 11 5.809 2.318 -6.723 675 3HG2 ILE 11 HMG ILE 11 4.684 1.255 -5.837 676 1HD1 ILE 11 HMD ILE 11 2.539 1.183 -6.689 677 2HD1 ILE 11 HMD ILE 11 2.321 2.931 -6.969 678 3HD1 ILE 11 HMD ILE 11 1.532 1.750 -8.048 679 H ILE 12 HN ILE 12 5.669 -1.739 -9.276 680 HA ILE 12 HA ILE 12 8.018 -2.341 -7.667 681 HB ILE 12 HB ILE 12 6.523 -4.205 -9.566 682 1HG1 ILE 12 HG1 ILE 12 4.804 -3.219 -8.271 683 2HG1 ILE 12 HG1 ILE 12 5.128 -4.823 -7.553 684 1HG2 ILE 12 HMG ILE 12 8.774 -4.665 -8.096 685 2HG2 ILE 12 HMG ILE 12 7.492 -5.234 -6.995 686 3HG2 ILE 12 HMG ILE 12 7.619 -5.911 -8.640 687 1HD1 ILE 12 HMD ILE 12 6.397 -2.320 -6.445 688 2HD1 ILE 12 HMD ILE 12 4.756 -2.830 -5.971 689 3HD1 ILE 12 HMD ILE 12 6.147 -3.902 -5.660 690 H LYS 13 HN LYS 13 7.164 -2.169 -11.111 691 HA LYS 13 HA LYS 13 9.733 -2.770 -12.201 692 1HB LYS 13 HBR LYS 13 7.307 -1.264 -13.103 693 2HB LYS 13 HBS LYS 13 8.846 -1.017 -13.976 694 1HG LYS 13 HGR LYS 13 8.385 -3.846 -13.572 695 2HG LYS 13 HGS LYS 13 6.952 -3.096 -14.334 696 1HD LYS 13 HDS LYS 13 8.482 -2.053 -16.012 697 2HD LYS 13 HDR LYS 13 9.795 -2.961 -15.311 698 1HE LYS 13 HES LYS 13 9.313 -4.728 -16.535 699 2HE LYS 13 HER LYS 13 7.670 -4.773 -15.835 700 1HZ LYS 13 HZC LYS 13 7.905 -2.728 -17.746 701 2HZ LYS 13 HZA LYS 13 8.341 -4.157 -18.405 702 3HZ LYS 13 HZB LYS 13 6.871 -3.993 -17.711 703 H ASP 14 HN ASP 14 8.204 0.236 -11.043 704 HA ASP 14 HA ASP 14 10.185 1.978 -11.653 705 1HB ASP 14 HBS ASP 14 7.930 2.511 -10.757 706 2HB ASP 14 HBR ASP 14 8.562 2.152 -9.123 707 H ALA 15 HN ALA 15 10.022 -0.099 -8.805 708 HA ALA 15 HA ALA 15 12.458 0.527 -7.588 709 1HB ALA 15 HMB ALA 15 10.541 -1.584 -7.532 710 2HB ALA 15 HMB ALA 15 12.169 -2.303 -7.637 711 3HB ALA 15 HMB ALA 15 11.782 -1.161 -6.325 712 H GLY 16 HN GLY 16 11.807 -1.617 -10.360 713 1HA GLY 16 HAR GLY 16 13.731 -1.709 -11.993 714 2HA GLY 16 HAS GLY 16 14.740 -2.168 -10.596 715 H ALA 17 HN ALA 17 11.579 -3.400 -10.334 716 HA ALA 17 HA ALA 17 12.132 -6.127 -11.021 717 1HB ALA 17 HMB ALA 17 10.173 -4.930 -9.678 718 2HB ALA 17 HMB ALA 17 9.387 -4.996 -11.276 719 3HB ALA 17 HMB ALA 17 9.954 -6.497 -10.498 720 H GLU 18 HN GLU 18 11.454 -7.283 -12.847 721 HA GLU 18 HA GLU 18 10.699 -5.734 -15.234 722 1HB GLU 18 HBR GLU 18 12.406 -6.971 -16.562 723 2HB GLU 18 HBS GLU 18 12.918 -5.708 -15.584 724 1HG GLU 18 HGS GLU 18 14.468 -6.930 -14.655 725 2HG GLU 18 HGR GLU 18 13.220 -7.915 -13.845 726 H ARG 19 HN ARG 19 11.769 -9.016 -14.228 727 HA ARG 19 HA ARG 19 9.391 -10.152 -15.545 728 1HB ARG 19 HBR ARG 19 11.704 -11.056 -15.933 729 2HB ARG 19 HBS ARG 19 11.706 -11.605 -14.233 730 1HG ARG 19 HGS ARG 19 11.099 -13.513 -15.431 731 2HG ARG 19 HGR ARG 19 9.538 -12.863 -14.855 732 1HD ARG 19 HDS ARG 19 9.462 -11.632 -17.100 733 2HD ARG 19 HDR ARG 19 10.748 -12.766 -17.602 734 HE ARG 19 HE ARG 19 8.157 -13.768 -16.544 735 1HH1 ARG 19 HH1 ARG 19 10.383 -13.386 -19.252 736 2HH1 ARG 19 HH1 ARG 19 9.719 -14.724 -20.128 737 1HH2 ARG 19 HH2 ARG 19 7.401 -15.591 -17.660 738 2HH2 ARG 19 HH2 ARG 19 8.030 -15.971 -19.228 739 H VAL 20 HN VAL 20 7.621 -10.257 -14.385 740 HA VAL 20 HA VAL 20 7.769 -11.326 -11.653 741 HB VAL 20 HB VAL 20 6.183 -8.824 -12.262 742 1HG1 VAL 20 HMG VAL 20 6.193 -10.701 -10.040 743 2HG1 VAL 20 HMG VAL 20 6.543 -9.036 -9.515 744 3HG1 VAL 20 HMG VAL 20 5.057 -9.387 -10.430 745 1HG2 VAL 20 HMG VAL 20 8.627 -8.406 -12.312 746 2HG2 VAL 20 HMG VAL 20 7.780 -7.556 -10.997 747 3HG2 VAL 20 HMG VAL 20 8.732 -9.019 -10.644 748 H SER 21 HN SER 21 5.985 -12.472 -11.030 749 HA SER 21 HA SER 21 4.093 -13.219 -13.165 750 1HB SER 21 HBS SER 21 3.431 -15.012 -11.826 751 2HB SER 21 HBR SER 21 5.206 -14.920 -11.642 752 HG SER 21 HG SER 21 4.791 -13.523 -9.746 753 H ASP 22 HN ASP 22 1.931 -12.868 -13.085 754 HA ASP 22 HA ASP 22 1.259 -10.361 -11.920 755 1HB ASP 22 HBS ASP 22 -0.180 -12.318 -13.662 756 2HB ASP 22 HBR ASP 22 -1.061 -10.962 -12.903 757 H ASP 23 HN ASP 23 0.693 -13.668 -10.986 758 HA ASP 23 HA ASP 23 -1.254 -13.179 -8.963 759 1HB ASP 23 HBS ASP 23 -0.134 -15.405 -10.017 760 2HB ASP 23 HBR ASP 23 0.681 -15.318 -8.428 761 H ALA 24 HN ALA 24 2.232 -12.806 -9.118 762 HA ALA 24 HA ALA 24 2.682 -12.140 -6.360 763 1HB ALA 24 HMB ALA 24 4.377 -12.642 -8.233 764 2HB ALA 24 HMB ALA 24 4.156 -10.935 -8.694 765 3HB ALA 24 HMB ALA 24 4.751 -11.348 -7.067 766 H ARG 25 HN ARG 25 2.070 -10.159 -9.284 767 HA ARG 25 HA ARG 25 2.251 -7.688 -7.953 768 1HB ARG 25 HBR ARG 25 1.137 -8.587 -10.591 769 2HB ARG 25 HBS ARG 25 0.795 -6.931 -10.011 770 1HG ARG 25 HGS ARG 25 2.968 -6.247 -10.250 771 2HG ARG 25 HGR ARG 25 3.632 -7.882 -9.975 772 1HD ARG 25 HDS ARG 25 3.375 -8.505 -12.136 773 2HD ARG 25 HDR ARG 25 1.970 -7.435 -12.396 774 HE ARG 25 HE ARG 25 4.583 -6.138 -12.023 775 1HH1 ARG 25 HH1 ARG 25 2.291 -7.464 -14.350 776 2HH1 ARG 25 HH1 ARG 25 2.756 -6.361 -15.602 777 1HH2 ARG 25 HH2 ARG 25 5.073 -4.628 -13.641 778 2HH2 ARG 25 HH2 ARG 25 4.331 -4.757 -15.201 779 H ILE 26 HN ILE 26 -0.272 -10.010 -8.002 780 HA ILE 26 HA ILE 26 -2.287 -8.037 -7.176 781 HB ILE 26 HB ILE 26 -2.446 -11.013 -7.858 782 1HG1 ILE 26 HG1 ILE 26 -3.454 -8.593 -9.401 783 2HG1 ILE 26 HG1 ILE 26 -1.880 -9.390 -9.686 784 1HG2 ILE 26 HMG ILE 26 -4.349 -9.359 -6.470 785 2HG2 ILE 26 HMG ILE 26 -5.005 -9.873 -8.047 786 3HG2 ILE 26 HMG ILE 26 -4.428 -11.093 -6.881 787 1HD1 ILE 26 HMD ILE 26 -3.604 -11.506 -9.843 788 2HD1 ILE 26 HMD ILE 26 -4.594 -10.181 -10.511 789 3HD1 ILE 26 HMD ILE 26 -3.009 -10.561 -11.233 790 H THR 27 HN THR 27 -0.236 -10.506 -5.834 791 HA THR 27 HA THR 27 -1.498 -10.683 -3.230 792 HB THR 27 HB THR 27 1.380 -11.192 -4.167 793 HG1 THR 27 HG1 THR 27 0.804 -12.857 -4.532 794 1HG2 THR 27 HMG THR 27 1.339 -10.581 -1.762 795 2HG2 THR 27 HMG THR 27 0.184 -11.910 -1.478 796 3HG2 THR 27 HMG THR 27 1.831 -12.268 -2.059 797 H LEU 28 HN LEU 28 1.147 -8.757 -4.669 798 HA LEU 28 HA LEU 28 1.535 -6.944 -2.574 799 1HB LEU 28 HBR LEU 28 2.524 -7.426 -5.059 800 2HB LEU 28 HBS LEU 28 1.595 -5.939 -5.370 801 HG LEU 28 HG LEU 28 3.038 -4.608 -4.225 802 1HD1 LEU 28 HMD LEU 28 3.325 -6.896 -2.400 803 2HD1 LEU 28 HMD LEU 28 4.845 -6.023 -2.715 804 3HD1 LEU 28 HMD LEU 28 3.428 -5.145 -2.089 805 1HD2 LEU 28 HMD LEU 28 4.317 -6.902 -5.574 806 2HD2 LEU 28 HMD LEU 28 4.470 -5.150 -5.862 807 3HD2 LEU 28 HMD LEU 28 5.390 -5.921 -4.544 808 H ALA 29 HN ALA 29 -0.676 -6.666 -5.374 809 HA ALA 29 HA ALA 29 -2.061 -4.432 -4.616 810 1HB ALA 29 HMB ALA 29 -2.273 -6.043 -6.671 811 2HB ALA 29 HMB ALA 29 -3.612 -6.742 -5.726 812 3HB ALA 29 HMB ALA 29 -3.639 -5.015 -6.167 813 H LYS 30 HN LYS 30 -2.548 -7.745 -3.441 814 HA LYS 30 HA LYS 30 -4.969 -7.096 -2.008 815 1HB LYS 30 HBR LYS 30 -3.145 -9.512 -2.046 816 2HB LYS 30 HBS LYS 30 -4.567 -9.385 -0.971 817 1HG LYS 30 HGR LYS 30 -6.044 -9.731 -2.661 818 2HG LYS 30 HGS LYS 30 -5.067 -8.818 -3.846 819 1HD LYS 30 HDS LYS 30 -4.529 -10.739 -4.762 820 2HD LYS 30 HDR LYS 30 -3.496 -10.982 -3.381 821 1HE LYS 30 HES LYS 30 -4.660 -12.727 -2.702 822 2HE LYS 30 HER LYS 30 -6.157 -11.752 -2.684 823 1HZ LYS 30 HZB LYS 30 -5.089 -12.804 -5.190 824 2HZ LYS 30 HZC LYS 30 -6.019 -13.741 -4.228 825 3HZ LYS 30 HZA LYS 30 -6.617 -12.349 -4.836 826 H ILE 31 HN ILE 31 -1.541 -7.254 -1.262 827 HA ILE 31 HA ILE 31 -1.732 -6.691 1.562 828 HB ILE 31 HB ILE 31 0.368 -6.273 -0.602 829 1HG1 ILE 31 HG1 ILE 31 1.165 -7.844 1.690 830 2HG1 ILE 31 HG1 ILE 31 -0.415 -8.410 1.078 831 1HG2 ILE 31 HMG ILE 31 0.574 -4.405 1.023 832 2HG2 ILE 31 HMG ILE 31 0.796 -5.610 2.318 833 3HG2 ILE 31 HMG ILE 31 1.980 -5.502 0.987 834 1HD1 ILE 31 HMD ILE 31 1.511 -7.925 -1.066 835 2HD1 ILE 31 HMD ILE 31 2.084 -9.133 0.115 836 3HD1 ILE 31 HMD ILE 31 0.522 -9.368 -0.713 837 H LEU 32 HN LEU 32 -0.754 -4.471 -1.059 838 HA LEU 32 HA LEU 32 -1.021 -2.209 0.382 839 1HB LEU 32 HBR LEU 32 -0.750 -2.990 -2.402 840 2HB LEU 32 HBS LEU 32 -1.605 -1.429 -2.241 841 HG LEU 32 HG LEU 32 0.505 -0.997 -0.604 842 1HD1 LEU 32 HMD LEU 32 1.258 -3.142 -2.533 843 2HD1 LEU 32 HMD LEU 32 2.407 -1.798 -2.307 844 3HD1 LEU 32 HMD LEU 32 1.896 -2.779 -0.910 845 1HD2 LEU 32 HMD LEU 32 -0.307 -0.409 -3.357 846 2HD2 LEU 32 HMD LEU 32 0.307 0.675 -2.083 847 3HD2 LEU 32 HMD LEU 32 1.448 -0.250 -3.093 848 H GLU 33 HN GLU 33 -3.615 -3.977 -1.094 849 HA GLU 33 HA GLU 33 -5.570 -1.864 -0.657 850 1HB GLU 33 HBR GLU 33 -5.622 -3.485 -2.505 851 2HB GLU 33 HBS GLU 33 -5.641 -4.753 -1.406 852 1HG GLU 33 HGS GLU 33 -7.797 -4.493 -0.687 853 2HG GLU 33 HGR GLU 33 -7.941 -2.798 -1.223 854 H GLU 34 HN GLU 34 -4.585 -4.895 0.917 855 HA GLU 34 HA GLU 34 -6.541 -4.924 3.013 856 1HB GLU 34 HBR GLU 34 -3.803 -6.026 2.511 857 2HB GLU 34 HBS GLU 34 -4.357 -5.962 4.094 858 1HG GLU 34 HGS GLU 34 -6.374 -7.209 3.624 859 2HG GLU 34 HGR GLU 34 -5.927 -7.402 1.907 860 H MET 35 HN MET 35 -3.101 -3.884 3.065 861 HA MET 35 HA MET 35 -3.224 -2.594 5.527 862 1HB MET 35 HBS MET 35 -1.140 -1.508 4.926 863 2HB MET 35 HBR MET 35 -1.138 -3.218 4.410 864 1HG MET 35 HGS MET 35 -1.510 -2.601 2.105 865 2HG MET 35 HGR MET 35 -1.859 -0.915 2.562 866 1HE MET 35 HME MET 35 0.379 -3.743 3.238 867 2HE MET 35 HME MET 35 1.852 -3.345 2.318 868 3HE MET 35 HME MET 35 1.755 -2.960 4.055 869 H GLY 36 HN GLY 36 -4.031 -1.392 2.316 870 1HA GLY 36 HAR GLY 36 -4.306 1.327 2.953 871 2HA GLY 36 HAS GLY 36 -5.145 0.492 1.617 872 H ARG 37 HN ARG 37 -6.735 -1.301 2.974 873 HA ARG 37 HA ARG 37 -8.905 0.244 4.068 874 1HB ARG 37 HBR ARG 37 -8.485 -2.419 3.227 875 2HB ARG 37 HBS ARG 37 -8.909 -2.501 4.961 876 1HG ARG 37 HGS ARG 37 -11.052 -2.300 4.411 877 2HG ARG 37 HGR ARG 37 -10.709 -0.666 3.773 878 1HD ARG 37 HDS ARG 37 -11.804 -2.047 2.113 879 2HD ARG 37 HDR ARG 37 -10.144 -1.622 1.611 880 HE ARG 37 HE ARG 37 -9.999 -4.102 2.907 881 1HH1 ARG 37 HH1 ARG 37 -11.806 -2.842 0.155 882 2HH1 ARG 37 HH1 ARG 37 -11.647 -4.305 -0.759 883 1HH2 ARG 37 HH2 ARG 37 -9.700 -5.952 1.631 884 2HH2 ARG 37 HH2 ARG 37 -10.456 -6.066 0.076 885 H ASP 38 HN ASP 38 -5.927 -0.973 5.292 886 HA ASP 38 HA ASP 38 -6.835 -1.078 8.014 887 1HB ASP 38 HBS ASP 38 -4.747 -2.191 6.541 888 2HB ASP 38 HBR ASP 38 -3.970 -1.157 7.772 889 H ILE 39 HN ILE 39 -4.666 1.082 6.194 890 HA ILE 39 HA ILE 39 -4.219 2.925 8.390 891 HB ILE 39 HB ILE 39 -4.072 3.528 5.402 892 1HG1 ILE 39 HG1 ILE 39 -1.771 2.421 7.036 893 2HG1 ILE 39 HG1 ILE 39 -2.891 1.370 6.124 894 1HG2 ILE 39 HMG ILE 39 -2.733 4.708 7.836 895 2HG2 ILE 39 HMG ILE 39 -2.170 5.003 6.169 896 3HG2 ILE 39 HMG ILE 39 -3.810 5.507 6.659 897 1HD1 ILE 39 HMD ILE 39 -1.703 3.618 4.603 898 2HD1 ILE 39 HMD ILE 39 -0.572 2.341 5.127 899 3HD1 ILE 39 HMD ILE 39 -1.989 1.922 4.128 900 H ALA 40 HN ALA 40 -6.786 2.176 6.217 901 HA ALA 40 HA ALA 40 -8.094 4.764 6.137 902 1HB ALA 40 HMB ALA 40 -8.501 2.937 4.501 903 2HB ALA 40 HMB ALA 40 -9.268 1.990 5.800 904 3HB ALA 40 HMB ALA 40 -9.981 3.540 5.289 905 H SER 41 HN SER 41 -9.245 1.741 7.656 906 HA SER 41 HA SER 41 -10.812 2.952 9.584 907 1HB SER 41 HBS SER 41 -10.898 0.853 10.723 908 2HB SER 41 HBR SER 41 -10.897 0.559 8.960 909 HG SER 41 HG SER 41 -8.475 0.437 9.212 910 H GLU 42 HN GLU 42 -7.401 2.792 9.461 911 HA GLU 42 HA GLU 42 -7.046 3.270 12.316 912 1HB GLU 42 HBR GLU 42 -5.327 3.004 9.867 913 2HB GLU 42 HBS GLU 42 -4.697 3.716 11.249 914 1HG GLU 42 HGS GLU 42 -4.374 1.166 10.933 915 2HG GLU 42 HGR GLU 42 -4.673 1.790 12.578 916 H ALA 43 HN ALA 43 -6.910 5.111 9.282 917 HA ALA 43 HA ALA 43 -6.374 7.662 10.604 918 1HB ALA 43 HMB ALA 43 -7.048 6.741 7.833 919 2HB ALA 43 HMB ALA 43 -7.294 8.448 8.281 920 3HB ALA 43 HMB ALA 43 -5.676 7.714 8.421 921 H ILE 44 HN ILE 44 -9.033 5.548 10.129 922 HA ILE 44 HA ILE 44 -11.009 7.634 10.559 923 HB ILE 44 HB ILE 44 -11.166 4.605 10.200 924 1HG1 ILE 44 HG1 ILE 44 -12.107 6.755 8.286 925 2HG1 ILE 44 HG1 ILE 44 -10.410 6.199 8.326 926 1HG2 ILE 44 HMG ILE 44 -13.074 5.446 11.558 927 2HG2 ILE 44 HMG ILE 44 -13.511 6.514 10.198 928 3HG2 ILE 44 HMG ILE 44 -13.542 4.744 9.987 929 1HD1 ILE 44 HMD ILE 44 -11.796 3.831 8.183 930 2HD1 ILE 44 HMD ILE 44 -12.799 4.923 7.192 931 3HD1 ILE 44 HMD ILE 44 -11.073 4.697 6.801 932 H LYS 45 HN LYS 45 -10.120 4.618 12.285 933 HA LYS 45 HA LYS 45 -11.308 5.169 14.734 934 1HB LYS 45 HBR LYS 45 -8.895 3.601 13.904 935 2HB LYS 45 HBS LYS 45 -9.146 3.934 15.642 936 1HG LYS 45 HGR LYS 45 -11.628 3.060 14.944 937 2HG LYS 45 HGS LYS 45 -10.621 2.126 13.801 938 1HD LYS 45 HDS LYS 45 -9.190 1.576 15.890 939 2HD LYS 45 HDR LYS 45 -10.580 2.113 16.793 940 1HE LYS 45 HES LYS 45 -10.586 -0.305 16.512 941 2HE LYS 45 HER LYS 45 -11.996 0.475 15.741 942 1HZ LYS 45 HZA LYS 45 -10.793 0.331 13.649 943 2HZ LYS 45 HZB LYS 45 -9.571 -0.472 14.377 944 3HZ LYS 45 HZC LYS 45 -11.057 -1.146 14.296 945 H LEU 46 HN LEU 46 -8.389 6.510 13.321 946 HA LEU 46 HA LEU 46 -7.475 8.008 15.599 947 1HB LEU 46 HBR LEU 46 -7.141 8.000 12.634 948 2HB LEU 46 HBS LEU 46 -6.722 9.496 13.516 949 HG LEU 46 HG LEU 46 -5.565 6.827 14.301 950 1HD1 LEU 46 HMD LEU 46 -4.919 8.560 11.968 951 2HD1 LEU 46 HMD LEU 46 -3.549 7.969 12.941 952 3HD1 LEU 46 HMD LEU 46 -4.682 6.810 12.203 953 1HD2 LEU 46 HMD LEU 46 -4.994 9.754 14.735 954 2HD2 LEU 46 HMD LEU 46 -5.203 8.454 15.935 955 3HD2 LEU 46 HMD LEU 46 -3.719 8.528 14.952 956 H ALA 47 HN ALA 47 -9.529 8.882 12.794 957 HA ALA 47 HA ALA 47 -9.957 11.498 13.548 958 1HB ALA 47 HMB ALA 47 -10.686 9.886 11.449 959 2HB ALA 47 HMB ALA 47 -12.258 10.303 12.179 960 3HB ALA 47 HMB ALA 47 -11.145 11.595 11.664 961 H ARG 48 HN ARG 48 -11.547 8.614 14.704 962 HA ARG 48 HA ARG 48 -13.833 10.014 15.894 963 1HB ARG 48 HBR ARG 48 -14.420 7.898 16.855 964 2HB ARG 48 HBS ARG 48 -14.026 7.669 15.127 965 1HG ARG 48 HGS ARG 48 -12.001 6.575 15.617 966 2HG ARG 48 HGR ARG 48 -12.005 7.140 17.312 967 1HD ARG 48 HDS ARG 48 -14.411 5.702 16.815 968 2HD ARG 48 HDR ARG 48 -13.030 4.732 16.232 969 HE ARG 48 HE ARG 48 -12.124 5.426 18.641 970 1HH1 ARG 48 HH1 ARG 48 -15.468 4.651 17.832 971 2HH1 ARG 48 HH1 ARG 48 -15.756 3.834 19.331 972 1HH2 ARG 48 HH2 ARG 48 -12.500 4.238 20.534 973 2HH2 ARG 48 HH2 ARG 48 -14.077 3.600 20.862 974 H HIS 49 HN HIS 49 -10.714 8.610 16.871 975 HA HIS 49 HA HIS 49 -10.778 9.389 19.611 976 1HB HIS 49 HBS HIS 49 -8.996 7.922 18.416 977 2HB HIS 49 HBR HIS 49 -8.247 9.475 17.945 978 HD1 HIS 49 HD1 HIS 49 -8.006 11.163 20.289 979 HD2 HIS 49 HD2 HIS 49 -7.970 7.020 20.713 980 HE1 HIS 49 HE1 HIS 49 -6.813 10.682 22.441 981 HE2 HIS 49 HE2 HIS 49 -6.771 8.176 22.692 982 H ALA 50 HN ALA 50 -9.950 11.098 16.618 983 HA ALA 50 HA ALA 50 -9.284 13.603 17.689 984 1HB ALA 50 HMB ALA 50 -9.662 12.557 15.186 985 2HB ALA 50 HMB ALA 50 -11.034 13.685 15.332 986 3HB ALA 50 HMB ALA 50 -9.368 14.275 15.560 987 H GLY 51 HN GLY 51 -12.487 12.210 16.952 988 1HA GLY 51 HAR GLY 51 -14.316 12.960 18.471 989 2HA GLY 51 HAS GLY 51 -13.762 14.627 18.172 990 H ARG 52 HN ARG 52 -13.630 12.321 15.566 991 HA ARG 52 HA ARG 52 -14.763 12.084 13.604 992 1HB ARG 52 HBR ARG 52 -17.208 11.873 13.802 993 2HB ARG 52 HBS ARG 52 -16.289 10.909 14.991 994 1HG ARG 52 HGS ARG 52 -16.833 12.521 16.748 995 2HG ARG 52 HGR ARG 52 -17.713 13.533 15.569 996 1HD ARG 52 HDS ARG 52 -19.192 11.590 15.118 997 2HD ARG 52 HDR ARG 52 -18.376 10.727 16.452 998 HE ARG 52 HE ARG 52 -19.203 13.137 17.540 999 1HH1 ARG 52 HH1 ARG 52 -20.659 10.218 16.203 1000 2HH1 ARG 52 HH1 ARG 52 -22.180 10.485 16.987 1001 1HH2 ARG 52 HH2 ARG 52 -21.240 13.513 18.460 1002 2HH2 ARG 52 HH2 ARG 52 -22.510 12.350 18.262 1003 H LYS 53 HN LYS 53 -14.171 13.730 12.343 1004 HA LYS 53 HA LYS 53 -16.365 15.530 11.692 1005 1HB LYS 53 HBR LYS 53 -14.558 16.717 13.267 1006 2HB LYS 53 HBS LYS 53 -13.707 16.884 11.705 1007 1HG LYS 53 HGR LYS 53 -15.125 18.859 12.320 1008 2HG LYS 53 HGS LYS 53 -15.551 18.111 10.754 1009 1HD LYS 53 HDS LYS 53 -17.041 16.996 13.004 1010 2HD LYS 53 HDR LYS 53 -17.251 18.719 12.844 1011 1HE LYS 53 HES LYS 53 -18.216 18.591 10.757 1012 2HE LYS 53 HER LYS 53 -17.486 16.996 10.424 1013 1HZ LYS 53 HZA LYS 53 -19.353 17.194 12.625 1014 2HZ LYS 53 HZB LYS 53 -19.969 17.250 11.114 1015 3HZ LYS 53 HZC LYS 53 -19.088 15.960 11.589 1016 H THR 54 HN THR 54 -12.874 15.440 10.906 1017 HA THR 54 HA THR 54 -13.513 14.356 8.217 1018 HB THR 54 HB THR 54 -12.034 16.982 8.799 1019 HG1 THR 54 HG1 THR 54 -13.484 17.790 7.708 1020 1HG2 THR 54 HMG THR 54 -12.201 15.356 6.269 1021 2HG2 THR 54 HMG THR 54 -12.005 17.127 6.230 1022 3HG2 THR 54 HMG THR 54 -10.780 16.111 7.032 1023 H ILE 55 HN ILE 55 -11.517 13.851 6.990 1024 HA ILE 55 HA ILE 55 -9.214 13.207 8.764 1025 HB ILE 55 HB ILE 55 -10.309 11.582 6.419 1026 1HG1 ILE 55 HG1 ILE 55 -10.056 10.978 9.390 1027 2HG1 ILE 55 HG1 ILE 55 -11.561 11.313 8.489 1028 1HG2 ILE 55 HMG ILE 55 -7.624 11.795 7.253 1029 2HG2 ILE 55 HMG ILE 55 -8.226 10.225 7.850 1030 3HG2 ILE 55 HMG ILE 55 -8.340 10.624 6.115 1031 1HD1 ILE 55 HMD ILE 55 -11.137 9.254 7.143 1032 2HD1 ILE 55 HMD ILE 55 -9.750 8.900 8.206 1033 3HD1 ILE 55 HMD ILE 55 -11.401 8.949 8.880 1034 H LYS 56 HN LYS 56 -7.240 13.775 8.052 1035 HA LYS 56 HA LYS 56 -6.976 14.838 5.277 1036 1HB LYS 56 HBR LYS 56 -5.407 16.030 7.530 1037 2HB LYS 56 HBS LYS 56 -5.928 16.743 5.977 1038 1HG LYS 56 HGR LYS 56 -7.871 17.516 6.839 1039 2HG LYS 56 HGS LYS 56 -8.139 16.044 7.816 1040 1HD LYS 56 HDS LYS 56 -5.903 17.504 8.865 1041 2HD LYS 56 HDR LYS 56 -7.243 18.594 8.638 1042 1HE LYS 56 HES LYS 56 -7.823 15.981 9.932 1043 2HE LYS 56 HER LYS 56 -6.937 17.229 10.856 1044 1HZ LYS 56 HZB LYS 56 -9.434 17.829 9.450 1045 2HZ LYS 56 HZC LYS 56 -9.429 17.251 10.978 1046 3HZ LYS 56 HZA LYS 56 -8.710 18.679 10.643 1047 H ALA 57 HN ALA 57 -4.444 15.375 5.060 1048 HA ALA 57 HA ALA 57 -3.088 12.946 4.881 1049 1HB ALA 57 HMB ALA 57 -2.522 14.947 3.596 1050 2HB ALA 57 HMB ALA 57 -1.913 15.734 5.074 1051 3HB ALA 57 HMB ALA 57 -1.099 14.282 4.437 1052 H GLU 58 HN GLU 58 -3.507 15.049 7.598 1053 HA GLU 58 HA GLU 58 -1.343 14.018 9.176 1054 1HB GLU 58 HBR GLU 58 -3.152 16.082 9.261 1055 2HB GLU 58 HBS GLU 58 -3.829 15.020 10.370 1056 1HG GLU 58 HGS GLU 58 -2.556 15.827 11.960 1057 2HG GLU 58 HGR GLU 58 -1.172 14.963 11.235 1058 H ASP 59 HN ASP 59 -4.469 12.831 8.317 1059 HA ASP 59 HA ASP 59 -4.711 11.164 10.735 1060 1HB ASP 59 HBS ASP 59 -6.594 12.389 9.002 1061 2HB ASP 59 HBR ASP 59 -6.802 10.617 8.906 1062 H ILE 60 HN ILE 60 -4.104 10.973 7.275 1063 HA ILE 60 HA ILE 60 -3.527 8.134 7.231 1064 HB ILE 60 HB ILE 60 -2.916 10.532 5.472 1065 1HG1 ILE 60 HG1 ILE 60 -4.246 9.395 3.855 1066 2HG1 ILE 60 HG1 ILE 60 -4.229 7.882 4.802 1067 1HG2 ILE 60 HMG ILE 60 -0.862 9.085 5.506 1068 2HG2 ILE 60 HMG ILE 60 -1.865 7.783 4.811 1069 3HG2 ILE 60 HMG ILE 60 -1.642 9.312 3.917 1070 1HD1 ILE 60 HMD ILE 60 -5.567 10.450 5.707 1071 2HD1 ILE 60 HMD ILE 60 -6.397 9.110 4.871 1072 3HD1 ILE 60 HMD ILE 60 -5.667 8.844 6.477 1073 H GLU 61 HN GLU 61 -1.645 11.137 7.736 1074 HA GLU 61 HA GLU 61 0.850 9.974 8.001 1075 1HB GLU 61 HBR GLU 61 -0.469 12.450 9.050 1076 2HB GLU 61 HBS GLU 61 1.020 12.013 9.687 1077 1HG GLU 61 HGS GLU 61 1.471 11.680 6.983 1078 2HG GLU 61 HGR GLU 61 0.553 13.209 7.042 1079 H LEU 62 HN LEU 62 -1.491 10.728 10.602 1080 HA LEU 62 HA LEU 62 -0.061 9.393 12.640 1081 1HB LEU 62 HBR LEU 62 -2.795 10.497 12.199 1082 2HB LEU 62 HBS LEU 62 -2.561 9.386 13.578 1083 HG LEU 62 HG LEU 62 -0.993 10.854 14.600 1084 1HD1 LEU 62 HMD LEU 62 -0.751 11.905 11.894 1085 2HD1 LEU 62 HMD LEU 62 -0.994 13.200 13.094 1086 3HD1 LEU 62 HMD LEU 62 0.356 12.051 13.282 1087 1HD2 LEU 62 HMD LEU 62 -3.665 11.462 14.074 1088 2HD2 LEU 62 HMD LEU 62 -2.645 12.155 15.360 1089 3HD2 LEU 62 HMD LEU 62 -2.801 12.994 13.796 1090 H ALA 63 HN ALA 63 -2.852 8.318 10.672 1091 HA ALA 63 HA ALA 63 -3.187 5.839 11.797 1092 1HB ALA 63 HMB ALA 63 -4.677 6.927 10.144 1093 2HB ALA 63 HMB ALA 63 -3.527 6.485 8.857 1094 3HB ALA 63 HMB ALA 63 -4.354 5.210 9.787 1095 H VAL 64 HN VAL 64 -0.876 6.783 9.287 1096 HA VAL 64 HA VAL 64 -0.237 4.021 8.830 1097 HB VAL 64 HB VAL 64 -0.473 6.269 7.337 1098 1HG1 VAL 64 HMG VAL 64 1.723 7.172 7.887 1099 2HG1 VAL 64 HMG VAL 64 2.506 5.689 7.289 1100 3HG1 VAL 64 HMG VAL 64 1.605 6.735 6.166 1101 1HG2 VAL 64 HMG VAL 64 -0.582 3.751 6.804 1102 2HG2 VAL 64 HMG VAL 64 -0.203 4.914 5.509 1103 3HG2 VAL 64 HMG VAL 64 1.098 3.949 6.249 1104 H ARG 65 HN ARG 65 1.816 6.847 9.656 1105 HA ARG 65 HA ARG 65 4.054 5.459 10.502 1106 1HB ARG 65 HBR ARG 65 2.871 8.112 11.211 1107 2HB ARG 65 HBS ARG 65 4.197 7.474 12.225 1108 1HG ARG 65 HGS ARG 65 5.055 7.110 9.578 1109 2HG ARG 65 HGR ARG 65 4.294 8.726 9.607 1110 1HD ARG 65 HDS ARG 65 5.878 9.593 10.919 1111 2HD ARG 65 HDR ARG 65 6.025 8.108 11.902 1112 HE ARG 65 HE ARG 65 7.798 7.473 10.582 1113 1HH1 ARG 65 HH1 ARG 65 6.112 10.135 9.001 1114 2HH1 ARG 65 HH1 ARG 65 7.190 10.156 7.645 1115 1HH2 ARG 65 HH2 ARG 65 9.106 7.444 8.731 1116 2HH2 ARG 65 HH2 ARG 65 8.886 8.634 7.493 1117 H ARG 66 HN ARG 66 0.950 5.536 11.961 1118 HA ARG 66 HA ARG 66 2.039 4.417 14.495 1119 1HB ARG 66 HBR ARG 66 0.434 6.425 14.492 1120 2HB ARG 66 HBS ARG 66 -0.827 5.246 14.026 1121 1HG ARG 66 HGS ARG 66 0.809 4.467 16.361 1122 2HG ARG 66 HGR ARG 66 -0.193 5.927 16.593 1123 1HD ARG 66 HDS ARG 66 -2.102 4.562 15.612 1124 2HD ARG 66 HDR ARG 66 -1.048 3.140 15.855 1125 HE ARG 66 HE ARG 66 -2.612 4.373 17.838 1126 1HH1 ARG 66 HH1 ARG 66 0.598 2.991 17.371 1127 2HH1 ARG 66 HH1 ARG 66 0.877 2.791 19.069 1128 1HH2 ARG 66 HH2 ARG 66 -2.161 4.210 20.052 1129 2HH2 ARG 66 HH2 ARG 66 -0.685 3.476 20.586 1130 H PHE 67 HN PHE 67 0.488 3.622 11.552 1131 HA PHE 67 HA PHE 67 -0.724 1.141 12.272 1132 1HB PHE 67 HBR PHE 67 -0.691 2.359 9.935 1133 2HB PHE 67 HBS PHE 67 0.814 1.427 9.690 1134 HD1 PHE 67 HD2 PHE 67 -2.507 0.513 11.292 1135 HD2 PHE 67 HD1 PHE 67 0.449 -0.273 8.324 1136 HE1 PHE 67 HE2 PHE 67 -3.721 -1.539 10.633 1137 HE2 PHE 67 HE1 PHE 67 -0.738 -2.314 7.654 1138 HZ PHE 67 HZ PHE 67 -2.763 -3.007 8.881 1139 H LYS 68 HN LYS 68 2.571 1.893 11.079 1140 HA LYS 68 HA LYS 68 4.606 0.979 11.536 1141 1HB LYS 68 HBR LYS 68 3.869 -0.628 13.869 1142 2HB LYS 68 HBS LYS 68 5.092 0.656 13.672 1143 1HG LYS 68 HGR LYS 68 3.171 2.331 13.882 1144 2HG LYS 68 HGS LYS 68 2.158 0.952 14.399 1145 1HD LYS 68 HDS LYS 68 4.747 1.698 15.751 1146 2HD LYS 68 HDR LYS 68 3.206 2.384 16.188 1147 1HE LYS 68 HES LYS 68 2.666 -0.322 16.155 1148 2HE LYS 68 HER LYS 68 4.320 -0.210 16.821 1149 1HZ LYS 68 HZB LYS 68 3.399 1.500 18.336 1150 2HZ LYS 68 HZC LYS 68 1.898 1.105 17.828 1151 3HZ LYS 68 HZA LYS 68 2.820 -0.006 18.589 1152 H LYS 69 HN LYS 69 2.636 -1.610 13.003 1153 HA LYS 69 HA LYS 69 2.390 -3.832 12.498 1154 1HB LYS 69 HBR LYS 69 1.388 -2.436 10.487 1155 2HB LYS 69 HBS LYS 69 2.738 -3.191 9.591 1156 1HG LYS 69 HGR LYS 69 0.767 -4.807 11.237 1157 2HG LYS 69 HGS LYS 69 0.481 -4.397 9.522 1158 1HD LYS 69 HDS LYS 69 2.977 -5.381 9.346 1159 2HD LYS 69 HDR LYS 69 2.428 -6.257 10.747 1160 1HE LYS 69 HES LYS 69 0.943 -7.513 9.609 1161 2HE LYS 69 HER LYS 69 0.561 -6.193 8.468 1162 1HZ LYS 69 HZC LYS 69 3.160 -6.857 8.003 1163 2HZ LYS 69 HZA LYS 69 2.408 -8.295 8.188 1164 3HZ LYS 69 HZB LYS 69 1.875 -7.233 7.067 No H/Q in entry = 1164 Start of MODEL 10 Raw file had 1198 H/Q atoms Start of MODEL 10 1 1H MET 1 HNC MET 1 2.497 9.414 -11.767 2 2H MET 1 HNB MET 1 2.560 7.811 -12.074 3 3H MET 1 HN MET 1 2.676 8.884 -13.301 4 HA MET 1 HA MET 1 0.509 9.470 -13.275 5 1HB MET 1 HBS MET 1 1.203 6.695 -13.305 6 2HB MET 1 HBR MET 1 -0.368 6.868 -12.482 7 1HG MET 1 HGS MET 1 -0.980 6.677 -14.756 8 2HG MET 1 HGR MET 1 -1.013 8.428 -14.450 9 1HE MET 1 HME MET 1 0.087 9.991 -15.419 10 2HE MET 1 HME MET 1 1.844 9.872 -15.148 11 3HE MET 1 HME MET 1 1.200 9.923 -16.808 12 H GLU 2 HN GLU 2 1.773 8.317 -10.277 13 HA GLU 2 HA GLU 2 1.256 8.841 -8.107 14 1HB GLU 2 HBR GLU 2 -0.679 10.798 -9.364 15 2HB GLU 2 HBS GLU 2 -0.247 10.705 -7.745 16 1HG GLU 2 HGS GLU 2 2.239 10.853 -8.731 17 2HG GLU 2 HGR GLU 2 1.411 11.854 -9.955 18 H LEU 3 HN LEU 3 0.276 7.259 -7.083 19 HA LEU 3 HA LEU 3 -1.688 5.812 -7.653 20 1HB LEU 3 HBS LEU 3 -0.572 6.702 -5.097 21 2HB LEU 3 HBR LEU 3 -2.083 5.737 -5.005 22 HG LEU 3 HG LEU 3 -0.910 4.178 -6.647 23 1HD1 LEU 3 HMD LEU 3 1.271 6.024 -5.834 24 2HD1 LEU 3 HMD LEU 3 1.671 4.315 -6.142 25 3HD1 LEU 3 HMD LEU 3 0.884 5.288 -7.410 26 1HD2 LEU 3 HMD LEU 3 -1.292 3.860 -4.075 27 2HD2 LEU 3 HMD LEU 3 -0.089 2.821 -4.877 28 3HD2 LEU 3 HMD LEU 3 0.443 4.229 -3.926 29 HA PRO 4 HA PRO 4 -5.105 8.689 -8.032 30 1HB PRO 4 HBR PRO 4 -6.580 6.650 -9.221 31 2HB PRO 4 HBS PRO 4 -6.043 8.039 -9.910 32 1HG PRO 4 HGR PRO 4 -5.092 5.602 -10.438 33 2HG PRO 4 HGS PRO 4 -4.365 7.045 -10.853 34 1HD PRO 4 HDS PRO 4 -3.634 5.245 -8.833 35 2HD PRO 4 HDR PRO 4 -2.736 6.464 -9.496 36 H ILE 5 HN ILE 5 -7.066 9.172 -7.147 37 HA ILE 5 HA ILE 5 -7.313 7.677 -4.634 38 HB ILE 5 HB ILE 5 -8.379 9.734 -3.795 39 1HG1 ILE 5 HG1 ILE 5 -8.183 11.743 -5.581 40 2HG1 ILE 5 HG1 ILE 5 -8.467 10.387 -6.710 41 1HG2 ILE 5 HMG ILE 5 -5.714 9.745 -5.034 42 2HG2 ILE 5 HMG ILE 5 -6.384 11.362 -4.691 43 3HG2 ILE 5 HMG ILE 5 -6.225 10.165 -3.378 44 1HD1 ILE 5 HMD ILE 5 -10.273 10.601 -4.349 45 2HD1 ILE 5 HMD ILE 5 -10.452 11.819 -5.640 46 3HD1 ILE 5 HMD ILE 5 -10.614 10.084 -6.022 47 H ALA 6 HN ALA 6 -8.646 7.020 -7.353 48 HA ALA 6 HA ALA 6 -11.486 7.016 -6.549 49 1HB ALA 6 HMB ALA 6 -9.961 6.684 -9.033 50 2HB ALA 6 HMB ALA 6 -11.252 5.475 -8.820 51 3HB ALA 6 HMB ALA 6 -11.643 7.212 -8.773 52 HA PRO 7 HA PRO 7 -10.097 2.337 -6.300 53 1HB PRO 7 HBR PRO 7 -7.341 2.312 -6.335 54 2HB PRO 7 HBS PRO 7 -8.354 1.501 -7.339 55 1HG PRO 7 HGS PRO 7 -6.807 3.626 -7.974 56 2HG PRO 7 HGR PRO 7 -7.904 2.860 -8.970 57 1HD PRO 7 HDS PRO 7 -8.161 5.336 -7.760 58 2HD PRO 7 HDR PRO 7 -9.185 4.628 -8.846 59 H ILE 8 HN ILE 8 -7.469 4.287 -5.102 60 HA ILE 8 HA ILE 8 -7.429 3.208 -2.563 61 HB ILE 8 HB ILE 8 -6.697 6.037 -3.462 62 1HG1 ILE 8 HG1 ILE 8 -5.155 3.427 -3.295 63 2HG1 ILE 8 HG1 ILE 8 -5.531 4.398 -4.746 64 1HG2 ILE 8 HMG ILE 8 -6.889 5.191 -0.840 65 2HG2 ILE 8 HMG ILE 8 -5.163 4.962 -1.229 66 3HG2 ILE 8 HMG ILE 8 -5.922 6.561 -1.447 67 1HD1 ILE 8 HMD ILE 8 -3.934 5.714 -2.604 68 2HD1 ILE 8 HMD ILE 8 -3.138 4.432 -3.556 69 3HD1 ILE 8 HMD ILE 8 -3.827 5.857 -4.379 70 H GLY 9 HN GLY 9 -9.114 6.200 -3.584 71 1HA GLY 9 HAS GLY 9 -10.150 6.912 -1.128 72 2HA GLY 9 HAR GLY 9 -10.912 7.332 -2.686 73 H ARG 10 HN ARG 10 -11.576 4.744 -3.574 74 HA ARG 10 HA ARG 10 -14.009 4.227 -2.309 75 1HB ARG 10 HBR ARG 10 -12.468 3.091 -4.468 76 2HB ARG 10 HBS ARG 10 -13.190 1.791 -3.477 77 1HG ARG 10 HGS ARG 10 -15.340 2.369 -4.031 78 2HG ARG 10 HGR ARG 10 -14.927 4.084 -4.313 79 1HD ARG 10 HDS ARG 10 -14.394 3.740 -6.452 80 2HD ARG 10 HDR ARG 10 -13.622 2.165 -6.116 81 HE ARG 10 HE ARG 10 -16.557 2.254 -5.988 82 1HH1 ARG 10 HH1 ARG 10 -13.628 1.190 -7.636 83 2HH1 ARG 10 HH1 ARG 10 -14.494 0.223 -8.783 84 1HH2 ARG 10 HH2 ARG 10 -17.662 1.083 -7.584 85 2HH2 ARG 10 HH2 ARG 10 -16.776 0.160 -8.753 86 H ILE 11 HN ILE 11 -10.871 2.570 -1.939 87 HA ILE 11 HA ILE 11 -11.655 0.598 -0.167 88 HB ILE 11 HB ILE 11 -8.994 2.094 -0.338 89 1HG1 ILE 11 HG1 ILE 11 -9.954 -0.498 -1.614 90 2HG1 ILE 11 HG1 ILE 11 -9.762 1.077 -2.433 91 1HG2 ILE 11 HMG ILE 11 -9.566 0.601 1.775 92 2HG2 ILE 11 HMG ILE 11 -9.123 -0.712 0.653 93 3HG2 ILE 11 HMG ILE 11 -7.956 0.588 1.009 94 1HD1 ILE 11 HMD ILE 11 -7.404 -0.165 -1.056 95 2HD1 ILE 11 HMD ILE 11 -7.921 -0.778 -2.649 96 3HD1 ILE 11 HMD ILE 11 -7.462 0.935 -2.459 97 H ILE 12 HN ILE 12 -10.479 3.881 0.616 98 HA ILE 12 HA ILE 12 -10.416 3.512 3.410 99 HB ILE 12 HB ILE 12 -10.858 6.166 1.967 100 1HG1 ILE 12 HG1 ILE 12 -9.150 5.090 0.725 101 2HG1 ILE 12 HG1 ILE 12 -8.340 6.262 1.803 102 1HG2 ILE 12 HMG ILE 12 -10.641 5.681 4.640 103 2HG2 ILE 12 HMG ILE 12 -8.947 6.016 4.195 104 3HG2 ILE 12 HMG ILE 12 -10.218 7.214 3.833 105 1HD1 ILE 12 HMD ILE 12 -8.570 3.289 2.355 106 2HD1 ILE 12 HMD ILE 12 -7.156 4.084 1.612 107 3HD1 ILE 12 HMD ILE 12 -7.634 4.493 3.281 108 H LYS 13 HN LYS 13 -12.981 4.631 1.239 109 HA LYS 13 HA LYS 13 -14.926 5.235 3.273 110 1HB LYS 13 HBS LYS 13 -14.837 5.539 0.562 111 2HB LYS 13 HBR LYS 13 -15.899 4.110 0.719 112 1HG LYS 13 HGR LYS 13 -16.592 6.256 2.599 113 2HG LYS 13 HGS LYS 13 -16.681 6.774 0.891 114 1HD LYS 13 HDS LYS 13 -18.627 5.799 0.680 115 2HD LYS 13 HDR LYS 13 -17.853 4.260 0.938 116 1HE LYS 13 HES LYS 13 -18.511 4.081 3.104 117 2HE LYS 13 HER LYS 13 -18.524 5.851 3.344 118 1HZ LYS 13 HZA LYS 13 -20.482 5.813 1.801 119 2HZ LYS 13 HZB LYS 13 -20.541 4.195 2.018 120 3HZ LYS 13 HZC LYS 13 -20.730 5.197 3.294 121 H ASP 14 HN ASP 14 -14.010 2.322 1.444 122 HA ASP 14 HA ASP 14 -15.951 0.647 2.318 123 1HB ASP 14 HBS ASP 14 -14.199 0.209 0.591 124 2HB ASP 14 HBR ASP 14 -13.102 -0.246 1.928 125 H ALA 15 HN ALA 15 -12.962 1.467 4.012 126 HA ALA 15 HA ALA 15 -13.343 0.016 6.385 127 1HB ALA 15 HMB ALA 15 -11.471 1.687 5.547 128 2HB ALA 15 HMB ALA 15 -12.413 2.851 6.514 129 3HB ALA 15 HMB ALA 15 -11.752 1.384 7.281 130 H GLY 16 HN GLY 16 -14.663 3.174 5.389 131 1HA GLY 16 HAR GLY 16 -16.971 3.555 6.259 132 2HA GLY 16 HAS GLY 16 -16.311 3.243 7.887 133 H ALA 17 HN ALA 17 -14.166 4.864 5.749 134 HA ALA 17 HA ALA 17 -14.209 7.415 6.986 135 1HB ALA 17 HMB ALA 17 -12.624 6.193 5.184 136 2HB ALA 17 HMB ALA 17 -13.552 7.261 4.101 137 3HB ALA 17 HMB ALA 17 -12.638 7.952 5.466 138 H GLU 18 HN GLU 18 -15.303 9.251 6.601 139 HA GLU 18 HA GLU 18 -16.992 9.610 4.315 140 1HB GLU 18 HBR GLU 18 -18.241 8.079 6.040 141 2HB GLU 18 HBS GLU 18 -18.350 9.476 6.963 142 1HG GLU 18 HGS GLU 18 -20.350 9.680 5.962 143 2HG GLU 18 HGR GLU 18 -19.393 10.638 4.801 144 H ARG 19 HN ARG 19 -14.781 10.802 5.850 145 HA ARG 19 HA ARG 19 -15.612 13.476 5.342 146 1HB ARG 19 HBR ARG 19 -16.130 12.710 7.977 147 2HB ARG 19 HBS ARG 19 -14.570 13.579 8.059 148 1HG ARG 19 HGS ARG 19 -15.579 15.552 7.847 149 2HG ARG 19 HGR ARG 19 -16.464 15.010 6.393 150 1HD ARG 19 HDS ARG 19 -17.436 13.894 8.928 151 2HD ARG 19 HDR ARG 19 -17.597 15.666 8.772 152 HE ARG 19 HE ARG 19 -18.522 14.471 6.384 153 1HH1 ARG 19 HH1 ARG 19 -19.449 15.030 9.739 154 2HH1 ARG 19 HH1 ARG 19 -21.129 14.736 9.438 155 1HH2 ARG 19 HH2 ARG 19 -20.708 13.966 6.055 156 2HH2 ARG 19 HH2 ARG 19 -21.842 14.135 7.354 157 H VAL 20 HN VAL 20 -13.882 13.056 3.899 158 HA VAL 20 HA VAL 20 -11.187 13.077 5.155 159 HB VAL 20 HB VAL 20 -11.950 11.461 2.721 160 1HG1 VAL 20 HMG VAL 20 -9.493 11.516 4.483 161 2HG1 VAL 20 HMG VAL 20 -9.846 10.211 3.324 162 3HG1 VAL 20 HMG VAL 20 -9.615 11.878 2.744 163 1HG2 VAL 20 HMG VAL 20 -12.440 10.881 5.534 164 2HG2 VAL 20 HMG VAL 20 -13.036 10.068 4.067 165 3HG2 VAL 20 HMG VAL 20 -11.444 9.639 4.737 166 H SER 21 HN SER 21 -9.614 14.214 4.163 167 HA SER 21 HA SER 21 -10.402 16.051 1.992 168 1HB SER 21 HBS SER 21 -9.121 16.935 3.895 169 2HB SER 21 HBR SER 21 -7.773 15.834 3.490 170 HG SER 21 HG SER 21 -8.653 18.268 2.431 171 H ASP 22 HN ASP 22 -9.307 16.147 0.030 172 HA ASP 22 HA ASP 22 -8.552 13.658 -1.144 173 1HB ASP 22 HBS ASP 22 -9.067 16.314 -2.032 174 2HB ASP 22 HBR ASP 22 -7.505 15.762 -2.703 175 H ASP 23 HN ASP 23 -6.918 15.862 0.864 176 HA ASP 23 HA ASP 23 -4.294 15.180 -0.099 177 1HB ASP 23 HBS ASP 23 -5.429 17.221 1.479 178 2HB ASP 23 HBR ASP 23 -4.172 16.421 2.465 179 H ALA 24 HN ALA 24 -6.417 14.018 2.413 180 HA ALA 24 HA ALA 24 -4.507 12.234 3.683 181 1HB ALA 24 HMB ALA 24 -7.311 12.883 3.886 182 2HB ALA 24 HMB ALA 24 -7.084 11.119 3.782 183 3HB ALA 24 HMB ALA 24 -6.243 12.053 5.045 184 H ARG 25 HN ARG 25 -6.887 12.040 1.030 185 HA ARG 25 HA ARG 25 -6.573 9.397 0.367 186 1HB ARG 25 HBR ARG 25 -7.034 11.721 -1.530 187 2HB ARG 25 HBS ARG 25 -7.277 9.996 -1.927 188 1HG ARG 25 HGS ARG 25 -8.707 11.052 0.465 189 2HG ARG 25 HGR ARG 25 -9.265 11.619 -1.135 190 1HD ARG 25 HDS ARG 25 -9.954 9.560 -1.783 191 2HD ARG 25 HDR ARG 25 -8.748 8.715 -0.773 192 HE ARG 25 HE ARG 25 -10.210 8.842 1.058 193 1HH1 ARG 25 HH1 ARG 25 -11.617 10.244 -1.855 194 2HH1 ARG 25 HH1 ARG 25 -13.177 10.453 -1.132 195 1HH2 ARG 25 HH2 ARG 25 -12.228 9.250 2.008 196 2HH2 ARG 25 HH2 ARG 25 -13.524 9.889 1.053 197 H ILE 26 HN ILE 26 -4.570 12.138 -0.677 198 HA ILE 26 HA ILE 26 -2.899 10.561 -2.365 199 HB ILE 26 HB ILE 26 -3.323 13.087 -2.459 200 1HG1 ILE 26 HG1 ILE 26 -0.435 13.017 -2.683 201 2HG1 ILE 26 HG1 ILE 26 -1.134 11.460 -3.212 202 1HG2 ILE 26 HMG ILE 26 -1.572 12.988 -0.054 203 2HG2 ILE 26 HMG ILE 26 -1.311 14.303 -1.230 204 3HG2 ILE 26 HMG ILE 26 -2.910 14.092 -0.470 205 1HD1 ILE 26 HMD ILE 26 -2.779 13.299 -4.434 206 2HD1 ILE 26 HMD ILE 26 -1.183 14.094 -4.501 207 3HD1 ILE 26 HMD ILE 26 -1.398 12.464 -5.195 208 H THR 27 HN THR 27 -2.751 11.495 1.032 209 HA THR 27 HA THR 27 0.001 10.995 1.445 210 HB THR 27 HB THR 27 -2.344 10.985 3.425 211 HG1 THR 27 HG1 THR 27 -2.135 12.627 2.427 212 1HG2 THR 27 HMG THR 27 0.164 9.962 3.969 213 2HG2 THR 27 HMG THR 27 0.281 11.653 4.520 214 3HG2 THR 27 HMG THR 27 -1.000 10.593 5.162 215 H LEU 28 HN LEU 28 -2.866 8.941 2.006 216 HA LEU 28 HA LEU 28 -1.508 6.516 2.597 217 1HB LEU 28 HBR LEU 28 -4.079 7.440 2.413 218 2HB LEU 28 HBS LEU 28 -3.966 6.398 0.970 219 HG LEU 28 HG LEU 28 -3.650 4.459 2.236 220 1HD1 LEU 28 HMD LEU 28 -2.405 6.206 4.126 221 2HD1 LEU 28 HMD LEU 28 -3.723 5.334 4.947 222 3HD1 LEU 28 HMD LEU 28 -2.445 4.425 4.101 223 1HD2 LEU 28 HMD LEU 28 -5.906 5.731 2.301 224 2HD2 LEU 28 HMD LEU 28 -5.655 4.359 3.411 225 3HD2 LEU 28 HMD LEU 28 -5.507 6.030 4.013 226 H ALA 29 HN ALA 29 -2.578 7.969 -0.482 227 HA ALA 29 HA ALA 29 -1.762 5.964 -2.183 228 1HB ALA 29 HMB ALA 29 -2.937 8.343 -2.518 229 2HB ALA 29 HMB ALA 29 -1.309 8.751 -3.116 230 3HB ALA 29 HMB ALA 29 -2.221 7.412 -3.859 231 H LYS 30 HN LYS 30 0.168 8.733 -1.023 232 HA LYS 30 HA LYS 30 2.521 7.823 -2.407 233 1HB LYS 30 HBR LYS 30 1.720 10.134 -0.759 234 2HB LYS 30 HBS LYS 30 3.431 9.650 -0.577 235 1HG LYS 30 HGR LYS 30 3.933 10.101 -2.812 236 2HG LYS 30 HGS LYS 30 2.225 9.990 -3.324 237 1HD LYS 30 HDS LYS 30 2.446 12.220 -3.420 238 2HD LYS 30 HDR LYS 30 1.907 12.038 -1.773 239 1HE LYS 30 HES LYS 30 4.758 12.432 -2.671 240 2HE LYS 30 HER LYS 30 3.697 13.614 -1.853 241 1HZ LYS 30 HZB LYS 30 3.608 11.594 -0.171 242 2HZ LYS 30 HZC LYS 30 5.114 11.367 -0.759 243 3HZ LYS 30 HZA LYS 30 4.714 12.791 -0.067 244 H ILE 31 HN ILE 31 1.144 7.262 0.719 245 HA ILE 31 HA ILE 31 3.460 6.111 2.015 246 HB ILE 31 HB ILE 31 0.442 5.825 2.328 247 1HG1 ILE 31 HG1 ILE 31 2.388 6.887 4.374 248 2HG1 ILE 31 HG1 ILE 31 1.880 7.897 2.989 249 1HG2 ILE 31 HMG ILE 31 2.316 3.887 3.175 250 2HG2 ILE 31 HMG ILE 31 1.805 4.794 4.623 251 3HG2 ILE 31 HMG ILE 31 0.584 4.016 3.582 252 1HD1 ILE 31 HMD ILE 31 -0.495 7.527 3.689 253 2HD1 ILE 31 HMD ILE 31 0.118 6.706 5.149 254 3HD1 ILE 31 HMD ILE 31 0.488 8.429 4.872 255 H LEU 32 HN LEU 32 0.586 4.416 0.753 256 HA LEU 32 HA LEU 32 1.731 1.975 0.676 257 1HB LEU 32 HBR LEU 32 -0.598 3.290 -0.604 258 2HB LEU 32 HBS LEU 32 -0.126 1.702 -1.273 259 HG LEU 32 HG LEU 32 -0.274 0.818 1.103 260 1HD1 LEU 32 HMD LEU 32 -0.285 3.160 2.101 261 2HD1 LEU 32 HMD LEU 32 -1.966 3.293 1.525 262 3HD1 LEU 32 HMD LEU 32 -1.526 2.035 2.709 263 1HD2 LEU 32 HMD LEU 32 -2.446 1.706 -0.728 264 2HD2 LEU 32 HMD LEU 32 -1.991 0.070 -0.187 265 3HD2 LEU 32 HMD LEU 32 -2.937 1.132 0.886 266 H GLU 33 HN GLU 33 2.200 4.486 -1.658 267 HA GLU 33 HA GLU 33 3.372 2.899 -3.769 268 1HB GLU 33 HBS GLU 33 2.601 5.420 -3.372 269 2HB GLU 33 HBR GLU 33 4.232 5.679 -3.080 270 1HG GLU 33 HGS GLU 33 3.385 4.106 -5.501 271 2HG GLU 33 HGR GLU 33 3.145 5.872 -5.584 272 H GLU 34 HN GLU 34 4.738 4.824 -1.062 273 HA GLU 34 HA GLU 34 7.442 4.278 -1.646 274 1HB GLU 34 HBR GLU 34 5.943 5.055 0.855 275 2HB GLU 34 HBS GLU 34 7.598 4.778 0.865 276 1HG GLU 34 HGS GLU 34 6.167 6.946 -0.609 277 2HG GLU 34 HGR GLU 34 7.501 7.155 0.557 278 H MET 35 HN MET 35 5.168 2.696 0.612 279 HA MET 35 HA MET 35 6.870 0.549 1.404 280 1HB MET 35 HBS MET 35 4.088 1.309 1.666 281 2HB MET 35 HBR MET 35 4.238 -0.428 1.298 282 1HG MET 35 HGS MET 35 5.968 0.901 3.425 283 2HG MET 35 HGR MET 35 4.320 0.341 3.792 284 1HE MET 35 HME MET 35 4.052 -1.551 4.882 285 2HE MET 35 HME MET 35 3.662 -2.533 3.447 286 3HE MET 35 HME MET 35 4.800 -3.154 4.670 287 H GLY 36 HN GLY 36 4.689 1.046 -1.355 288 1HA GLY 36 HAR GLY 36 4.635 -1.661 -2.187 289 2HA GLY 36 HAS GLY 36 4.153 -0.253 -3.173 290 H ARG 37 HN ARG 37 6.431 1.160 -3.479 291 HA ARG 37 HA ARG 37 8.158 -0.293 -5.242 292 1HB ARG 37 HBR ARG 37 7.970 2.413 -4.138 293 2HB ARG 37 HBS ARG 37 9.654 1.831 -4.284 294 1HG ARG 37 HGS ARG 37 9.064 1.210 -6.691 295 2HG ARG 37 HGR ARG 37 7.583 2.181 -6.462 296 1HD ARG 37 HDS ARG 37 9.753 3.704 -5.491 297 2HD ARG 37 HDR ARG 37 10.238 3.029 -7.072 298 HE ARG 37 HE ARG 37 7.661 4.024 -7.421 299 1HH1 ARG 37 HH1 ARG 37 10.658 5.420 -6.196 300 2HH1 ARG 37 HH1 ARG 37 10.379 6.953 -6.951 301 1HH2 ARG 37 HH2 ARG 37 7.394 6.000 -8.498 302 2HH2 ARG 37 HH2 ARG 37 8.532 7.283 -8.252 303 H ASP 38 HN ASP 38 7.987 0.126 -1.791 304 HA ASP 38 HA ASP 38 10.630 -0.722 -1.247 305 1HB ASP 38 HBR ASP 38 8.310 0.065 0.255 306 2HB ASP 38 HBS ASP 38 9.103 -1.350 1.004 307 H ILE 39 HN ILE 39 7.552 -2.534 -1.027 308 HA ILE 39 HA ILE 39 8.796 -5.056 -0.424 309 HB ILE 39 HB ILE 39 6.078 -4.596 -1.737 310 1HG1 ILE 39 HG1 ILE 39 6.354 -4.787 1.245 311 2HG1 ILE 39 HG1 ILE 39 6.770 -3.241 0.452 312 1HG2 ILE 39 HMG ILE 39 7.032 -6.943 -1.518 313 2HG2 ILE 39 HMG ILE 39 6.835 -6.741 0.243 314 3HG2 ILE 39 HMG ILE 39 5.412 -6.657 -0.829 315 1HD1 ILE 39 HMD ILE 39 4.283 -4.130 -0.616 316 2HD1 ILE 39 HMD ILE 39 4.201 -4.262 1.161 317 3HD1 ILE 39 HMD ILE 39 4.616 -2.702 0.400 318 H ALA 40 HN ALA 40 8.539 -3.141 -3.249 319 HA ALA 40 HA ALA 40 8.571 -5.264 -5.247 320 1HB ALA 40 HMB ALA 40 8.700 -2.329 -5.164 321 2HB ALA 40 HMB ALA 40 9.736 -3.077 -6.406 322 3HB ALA 40 HMB ALA 40 7.989 -3.425 -6.375 323 H SER 41 HN SER 41 11.057 -2.782 -4.644 324 HA SER 41 HA SER 41 13.107 -4.332 -5.740 325 1HB SER 41 HBR SER 41 12.957 -1.804 -4.201 326 2HB SER 41 HBS SER 41 14.529 -2.654 -4.189 327 HG SER 41 HG SER 41 13.437 -1.044 -6.024 328 H GLU 42 HN GLU 42 11.659 -4.543 -2.650 329 HA GLU 42 HA GLU 42 13.817 -6.028 -1.397 330 1HB GLU 42 HBR GLU 42 10.963 -5.332 -0.866 331 2HB GLU 42 HBS GLU 42 11.560 -6.726 -0.146 332 1HG GLU 42 HGR GLU 42 11.908 -4.948 1.501 333 2HG GLU 42 HGS GLU 42 13.454 -5.567 0.862 334 H ALA 43 HN ALA 43 10.570 -6.943 -2.640 335 HA ALA 43 HA ALA 43 10.985 -9.723 -2.729 336 1HB ALA 43 HMB ALA 43 8.811 -8.581 -2.980 337 2HB ALA 43 HMB ALA 43 9.305 -8.034 -4.602 338 3HB ALA 43 HMB ALA 43 9.125 -9.774 -4.266 339 H ILE 44 HN ILE 44 12.198 -7.170 -4.742 340 HA ILE 44 HA ILE 44 12.891 -8.897 -6.948 341 HB ILE 44 HB ILE 44 13.555 -6.001 -6.240 342 1HG1 ILE 44 HG1 ILE 44 11.708 -7.137 -8.371 343 2HG1 ILE 44 HG1 ILE 44 11.184 -6.667 -6.730 344 1HG2 ILE 44 HMG ILE 44 14.584 -7.674 -8.457 345 2HG2 ILE 44 HMG ILE 44 13.993 -6.048 -8.889 346 3HG2 ILE 44 HMG ILE 44 15.279 -6.234 -7.667 347 1HD1 ILE 44 HMD ILE 44 12.416 -4.819 -8.797 348 2HD1 ILE 44 HMD ILE 44 10.683 -4.926 -8.386 349 3HD1 ILE 44 HMD ILE 44 11.856 -4.356 -7.168 350 H LYS 45 HN LYS 45 14.848 -7.055 -4.570 351 HA LYS 45 HA LYS 45 17.268 -8.477 -4.878 352 1HB LYS 45 HBS LYS 45 16.450 -6.421 -3.300 353 2HB LYS 45 HBR LYS 45 16.506 -7.752 -2.110 354 1HG LYS 45 HGR LYS 45 18.876 -8.215 -3.059 355 2HG LYS 45 HGS LYS 45 18.751 -6.579 -3.766 356 1HD LYS 45 HDS LYS 45 18.241 -5.712 -1.477 357 2HD LYS 45 HDR LYS 45 18.562 -7.307 -0.853 358 1HE LYS 45 HES LYS 45 20.674 -6.122 -2.561 359 2HE LYS 45 HER LYS 45 20.405 -5.409 -0.945 360 1HZ LYS 45 HZB LYS 45 20.799 -8.283 -1.398 361 2HZ LYS 45 HZC LYS 45 22.015 -7.258 -1.025 362 3HZ LYS 45 HZA LYS 45 20.792 -7.494 0.032 363 H LEU 46 HN LEU 46 14.215 -9.467 -3.655 364 HA LEU 46 HA LEU 46 15.208 -11.639 -2.058 365 1HB LEU 46 HBR LEU 46 12.704 -10.343 -2.773 366 2HB LEU 46 HBS LEU 46 12.538 -12.121 -2.722 367 HG LEU 46 HG LEU 46 13.272 -12.164 -0.421 368 1HD1 LEU 46 HMD LEU 46 14.692 -9.974 -0.973 369 2HD1 LEU 46 HMD LEU 46 13.266 -9.182 -0.255 370 3HD1 LEU 46 HMD LEU 46 14.186 -10.383 0.686 371 1HD2 LEU 46 HMD LEU 46 10.881 -11.704 -0.934 372 2HD2 LEU 46 HMD LEU 46 11.417 -11.006 0.615 373 3HD2 LEU 46 HMD LEU 46 11.224 -9.960 -0.814 374 H ALA 47 HN ALA 47 13.943 -11.324 -5.362 375 HA ALA 47 HA ALA 47 14.141 -14.068 -6.123 376 1HB ALA 47 HMB ALA 47 13.961 -11.432 -7.469 377 2HB ALA 47 HMB ALA 47 14.683 -12.762 -8.410 378 3HB ALA 47 HMB ALA 47 13.045 -12.938 -7.732 379 H ARG 48 HN ARG 48 16.467 -11.415 -5.877 380 HA ARG 48 HA ARG 48 18.625 -12.673 -7.159 381 1HB ARG 48 HBS ARG 48 18.366 -10.472 -5.139 382 2HB ARG 48 HBR ARG 48 19.980 -11.162 -5.474 383 1HG ARG 48 HGS ARG 48 18.110 -9.956 -7.542 384 2HG ARG 48 HGR ARG 48 19.515 -9.134 -6.806 385 1HD ARG 48 HDS ARG 48 21.036 -10.586 -7.816 386 2HD ARG 48 HDR ARG 48 19.765 -11.773 -8.222 387 HE ARG 48 HE ARG 48 20.506 -9.407 -9.734 388 1HH1 ARG 48 HH1 ARG 48 17.761 -11.471 -8.939 389 2HH1 ARG 48 HH1 ARG 48 17.032 -11.288 -10.499 390 1HH2 ARG 48 HH2 ARG 48 19.589 -9.296 -11.804 391 2HH2 ARG 48 HH2 ARG 48 18.065 -10.056 -12.121 392 H HIS 49 HN HIS 49 18.029 -12.381 -3.632 393 HA HIS 49 HA HIS 49 20.025 -14.280 -2.945 394 1HB HIS 49 HBS HIS 49 17.991 -12.725 -1.479 395 2HB HIS 49 HBR HIS 49 18.289 -14.346 -0.787 396 HD1 HIS 49 HD1 HIS 49 21.094 -12.400 -2.458 397 HD2 HIS 49 HD2 HIS 49 19.708 -13.303 1.365 398 HE1 HIS 49 HE1 HIS 49 22.839 -11.574 -0.860 399 HE2 HIS 49 HE2 HIS 49 21.996 -12.098 1.456 400 H ALA 50 HN ALA 50 16.773 -14.614 -4.035 401 HA ALA 50 HA ALA 50 16.246 -17.309 -3.183 402 1HB ALA 50 HMB ALA 50 14.653 -15.611 -4.247 403 2HB ALA 50 HMB ALA 50 15.388 -16.081 -5.801 404 3HB ALA 50 HMB ALA 50 14.559 -17.302 -4.802 405 H GLY 51 HN GLY 51 17.855 -15.848 -6.014 406 1HA GLY 51 HAR GLY 51 19.809 -17.161 -6.813 407 2HA GLY 51 HAS GLY 51 18.727 -18.578 -6.877 408 H ARG 52 HN ARG 52 17.353 -15.515 -7.709 409 HA ARG 52 HA ARG 52 16.962 -14.365 -9.646 410 1HB ARG 52 HBS ARG 52 19.391 -14.392 -9.900 411 2HB ARG 52 HBR ARG 52 19.304 -15.992 -10.691 412 1HG ARG 52 HGS ARG 52 17.919 -14.932 -12.498 413 2HG ARG 52 HGR ARG 52 18.252 -13.347 -11.743 414 1HD ARG 52 HDS ARG 52 19.755 -13.838 -13.608 415 2HD ARG 52 HDR ARG 52 20.620 -13.658 -12.055 416 HE ARG 52 HE ARG 52 20.321 -16.108 -13.644 417 1HH1 ARG 52 HH1 ARG 52 21.568 -14.514 -10.757 418 2HH1 ARG 52 HH1 ARG 52 22.465 -15.904 -10.245 419 1HH2 ARG 52 HH2 ARG 52 21.403 -17.945 -12.875 420 2HH2 ARG 52 HH2 ARG 52 22.373 -17.846 -11.443 421 H LYS 53 HN LYS 53 15.268 -14.653 -10.864 422 HA LYS 53 HA LYS 53 15.240 -16.272 -13.114 423 1HB LYS 53 HBS LYS 53 14.354 -17.724 -10.747 424 2HB LYS 53 HBR LYS 53 13.068 -17.605 -11.982 425 1HG LYS 53 HGR LYS 53 15.881 -18.686 -12.418 426 2HG LYS 53 HGS LYS 53 14.390 -19.659 -12.259 427 1HD LYS 53 HDS LYS 53 14.239 -19.592 -14.451 428 2HD LYS 53 HDR LYS 53 13.688 -17.954 -14.232 429 1HE LYS 53 HES LYS 53 15.334 -17.770 -15.858 430 2HE LYS 53 HER LYS 53 16.122 -17.247 -14.343 431 1HZ LYS 53 HZA LYS 53 16.516 -19.933 -14.493 432 2HZ LYS 53 HZB LYS 53 16.767 -19.413 -16.021 433 3HZ LYS 53 HZC LYS 53 17.624 -18.769 -14.789 434 H THR 54 HN THR 54 12.603 -15.846 -10.737 435 HA THR 54 HA THR 54 11.586 -13.452 -12.095 436 HB THR 54 HB THR 54 9.987 -16.074 -12.138 437 HG1 THR 54 HG1 THR 54 10.590 -16.333 -13.825 438 1HG2 THR 54 HMG THR 54 8.723 -13.834 -11.914 439 2HG2 THR 54 HMG THR 54 9.244 -13.546 -13.593 440 3HG2 THR 54 HMG THR 54 8.238 -14.964 -13.204 441 H ILE 55 HN ILE 55 10.217 -12.286 -10.865 442 HA ILE 55 HA ILE 55 9.889 -12.960 -8.047 443 HB ILE 55 HB ILE 55 8.591 -10.709 -9.655 444 1HG1 ILE 55 HG1 ILE 55 11.024 -10.728 -9.986 445 2HG1 ILE 55 HG1 ILE 55 10.482 -9.298 -9.063 446 1HG2 ILE 55 HMG ILE 55 9.154 -11.000 -6.696 447 2HG2 ILE 55 HMG ILE 55 8.546 -9.523 -7.490 448 3HG2 ILE 55 HMG ILE 55 7.561 -11.010 -7.497 449 1HD1 ILE 55 HMD ILE 55 11.480 -11.735 -7.614 450 2HD1 ILE 55 HMD ILE 55 12.632 -10.579 -8.336 451 3HD1 ILE 55 HMD ILE 55 11.470 -10.027 -7.101 452 H LYS 56 HN LYS 56 8.038 -13.550 -7.022 453 HA LYS 56 HA LYS 56 5.516 -13.828 -8.544 454 1HB LYS 56 HBR LYS 56 6.512 -16.163 -6.926 455 2HB LYS 56 HBS LYS 56 5.241 -16.096 -8.181 456 1HG LYS 56 HGR LYS 56 6.849 -15.993 -9.938 457 2HG LYS 56 HGS LYS 56 8.184 -15.676 -8.794 458 1HD LYS 56 HDS LYS 56 8.303 -17.843 -8.076 459 2HD LYS 56 HDR LYS 56 6.640 -18.182 -8.469 460 1HE LYS 56 HES LYS 56 8.348 -19.322 -9.912 461 2HE LYS 56 HER LYS 56 7.065 -18.409 -10.756 462 1HZ LYS 56 HZC LYS 56 9.666 -17.209 -10.157 463 2HZ LYS 56 HZA LYS 56 9.423 -18.079 -11.517 464 3HZ LYS 56 HZB LYS 56 8.549 -16.726 -11.247 465 H ALA 57 HN ALA 57 3.884 -14.942 -6.917 466 HA ALA 57 HA ALA 57 3.366 -13.014 -4.998 467 1HB ALA 57 HMB ALA 57 1.683 -14.488 -5.984 468 2HB ALA 57 HMB ALA 57 2.345 -15.867 -5.070 469 3HB ALA 57 HMB ALA 57 1.603 -14.498 -4.204 470 H GLU 58 HN GLU 58 4.937 -16.174 -4.612 471 HA GLU 58 HA GLU 58 5.145 -16.081 -1.789 472 1HB GLU 58 HBS GLU 58 5.297 -17.980 -3.288 473 2HB GLU 58 HBR GLU 58 6.765 -17.477 -3.927 474 1HG GLU 58 HGS GLU 58 7.917 -17.894 -1.849 475 2HG GLU 58 HGR GLU 58 6.401 -18.006 -0.914 476 H ASP 59 HN ASP 59 7.175 -14.809 -4.382 477 HA ASP 59 HA ASP 59 9.290 -14.011 -2.631 478 1HB ASP 59 HBS ASP 59 8.787 -14.026 -5.454 479 2HB ASP 59 HBR ASP 59 9.448 -12.445 -4.946 480 H ILE 60 HN ILE 60 6.394 -12.439 -3.870 481 HA ILE 60 HA ILE 60 6.867 -9.835 -2.762 482 HB ILE 60 HB ILE 60 4.272 -11.348 -3.340 483 1HG1 ILE 60 HG1 ILE 60 5.528 -11.148 -5.342 484 2HG1 ILE 60 HG1 ILE 60 4.256 -9.895 -5.402 485 1HG2 ILE 60 HMG ILE 60 3.846 -9.552 -1.765 486 2HG2 ILE 60 HMG ILE 60 4.690 -8.394 -2.827 487 3HG2 ILE 60 HMG ILE 60 3.171 -9.158 -3.368 488 1HD1 ILE 60 HMD ILE 60 6.289 -8.469 -4.321 489 2HD1 ILE 60 HMD ILE 60 7.204 -9.631 -5.319 490 3HD1 ILE 60 HMD ILE 60 5.968 -8.587 -6.072 491 H GLU 61 HN GLU 61 5.142 -12.729 -1.551 492 HA GLU 61 HA GLU 61 4.325 -11.526 0.940 493 1HB GLU 61 HBR GLU 61 4.576 -14.327 -0.147 494 2HB GLU 61 HBS GLU 61 4.241 -14.047 1.473 495 1HG GLU 61 HGS GLU 61 2.399 -12.382 0.526 496 2HG GLU 61 HGR GLU 61 2.385 -13.541 -0.830 497 H LEU 62 HN LEU 62 7.133 -13.351 -0.198 498 HA LEU 62 HA LEU 62 8.522 -13.612 2.261 499 1HB LEU 62 HBR LEU 62 9.059 -13.699 -0.636 500 2HB LEU 62 HBS LEU 62 10.459 -13.222 0.368 501 HG LEU 62 HG LEU 62 9.028 -15.604 1.332 502 1HD1 LEU 62 HMD LEU 62 9.880 -15.375 -1.477 503 2HD1 LEU 62 HMD LEU 62 10.606 -16.747 -0.601 504 3HD1 LEU 62 HMD LEU 62 8.834 -16.581 -0.685 505 1HD2 LEU 62 HMD LEU 62 11.223 -14.557 2.089 506 2HD2 LEU 62 HMD LEU 62 11.249 -16.310 1.768 507 3HD2 LEU 62 HMD LEU 62 11.926 -15.176 0.573 508 H ALA 63 HN ALA 63 8.795 -11.070 -0.256 509 HA ALA 63 HA ALA 63 10.390 -9.319 1.147 510 1HB ALA 63 HMB ALA 63 8.604 -9.201 -1.155 511 2HB ALA 63 HMB ALA 63 8.714 -7.648 -0.288 512 3HB ALA 63 HMB ALA 63 10.194 -8.442 -0.886 513 H VAL 64 HN VAL 64 6.820 -9.464 1.142 514 HA VAL 64 HA VAL 64 6.596 -6.990 2.442 515 HB VAL 64 HB VAL 64 5.004 -8.670 1.008 516 1HG1 VAL 64 HMG VAL 64 4.288 -9.937 3.012 517 2HG1 VAL 64 HMG VAL 64 3.581 -8.446 3.678 518 3HG1 VAL 64 HMG VAL 64 2.954 -9.125 2.158 519 1HG2 VAL 64 HMG VAL 64 4.933 -5.996 2.017 520 2HG2 VAL 64 HMG VAL 64 4.225 -6.687 0.537 521 3HG2 VAL 64 HMG VAL 64 3.290 -6.681 2.052 522 H ARG 65 HN ARG 65 5.892 -10.242 3.778 523 HA ARG 65 HA ARG 65 5.847 -9.510 6.449 524 1HB ARG 65 HBR ARG 65 6.251 -11.798 7.008 525 2HB ARG 65 HBS ARG 65 5.207 -11.728 5.559 526 1HG ARG 65 HGS ARG 65 7.507 -12.003 4.289 527 2HG ARG 65 HGR ARG 65 8.035 -12.691 5.851 528 1HD ARG 65 HDS ARG 65 5.668 -13.941 5.533 529 2HD ARG 65 HDR ARG 65 6.159 -13.730 3.829 530 HE ARG 65 HE ARG 65 8.407 -14.721 5.093 531 1HH1 ARG 65 HH1 ARG 65 5.047 -15.789 5.074 532 2HH1 ARG 65 HH1 ARG 65 5.467 -17.468 5.033 533 1HH2 ARG 65 HH2 ARG 65 8.916 -16.922 4.909 534 2HH2 ARG 65 HH2 ARG 65 7.657 -18.111 4.938 535 H ARG 66 HN ARG 66 8.564 -9.696 4.321 536 HA ARG 66 HA ARG 66 10.676 -9.960 6.243 537 1HB ARG 66 HBR ARG 66 10.709 -9.976 3.600 538 2HB ARG 66 HBS ARG 66 10.972 -8.221 3.818 539 1HG ARG 66 HGS ARG 66 12.863 -8.994 5.457 540 2HG ARG 66 HGR ARG 66 12.743 -10.535 4.561 541 1HD ARG 66 HDS ARG 66 13.399 -9.580 2.570 542 2HD ARG 66 HDR ARG 66 12.958 -7.932 3.098 543 HE ARG 66 HE ARG 66 15.382 -9.436 3.927 544 1HH1 ARG 66 HH1 ARG 66 13.494 -6.458 3.997 545 2HH1 ARG 66 HH1 ARG 66 14.870 -5.466 4.349 546 1HH2 ARG 66 HH2 ARG 66 17.176 -8.090 4.255 547 2HH2 ARG 66 HH2 ARG 66 16.953 -6.389 4.496 548 H PHE 67 HN PHE 67 8.951 -7.160 4.848 549 HA PHE 67 HA PHE 67 10.024 -5.168 6.556 550 1HB PHE 67 HBR PHE 67 7.182 -5.339 5.459 551 2HB PHE 67 HBS PHE 67 7.944 -3.903 6.203 552 HD1 PHE 67 HD1 PHE 67 7.912 -6.185 3.370 553 HD2 PHE 67 HD2 PHE 67 9.521 -2.536 4.870 554 HE1 PHE 67 HE1 PHE 67 8.999 -5.797 1.204 555 HE2 PHE 67 HE2 PHE 67 10.546 -2.076 2.667 556 HZ PHE 67 HZ PHE 67 10.258 -3.711 0.826 557 H LYS 68 HN LYS 68 6.910 -6.914 6.895 558 HA LYS 68 HA LYS 68 5.847 -7.800 8.714 559 1HB LYS 68 HBR LYS 68 8.597 -8.296 9.087 560 2HB LYS 68 HBS LYS 68 7.983 -7.707 10.658 561 1HG LYS 68 HGR LYS 68 6.758 -9.988 9.059 562 2HG LYS 68 HGS LYS 68 7.897 -10.190 10.421 563 1HD LYS 68 HDS LYS 68 6.265 -8.878 11.829 564 2HD LYS 68 HDR LYS 68 5.143 -8.989 10.502 565 1HE LYS 68 HES LYS 68 4.850 -10.698 12.318 566 2HE LYS 68 HER LYS 68 4.963 -11.314 10.645 567 1HZ LYS 68 HZA LYS 68 7.340 -11.143 12.329 568 2HZ LYS 68 HZB LYS 68 6.331 -12.421 12.457 569 3HZ LYS 68 HZC LYS 68 7.065 -12.099 11.034 570 H LYS 69 HN LYS 69 8.271 -5.868 10.477 571 HA LYS 69 HA LYS 69 6.011 -4.424 11.788 572 1HB LYS 69 HBS LYS 69 7.194 -6.297 13.081 573 2HB LYS 69 HBR LYS 69 8.606 -5.204 13.128 574 1HG LYS 69 HGR LYS 69 6.680 -3.516 14.019 575 2HG LYS 69 HGS LYS 69 6.020 -5.072 14.600 576 1HD LYS 69 HDS LYS 69 7.591 -5.342 16.150 577 2HD LYS 69 HDR LYS 69 8.865 -4.789 15.099 578 1HE LYS 69 HES LYS 69 7.033 -2.667 15.983 579 2HE LYS 69 HER LYS 69 7.992 -3.455 17.268 580 1HZ LYS 69 HZC LYS 69 9.956 -2.984 15.977 581 2HZ LYS 69 HZA LYS 69 9.075 -2.248 14.815 582 3HZ LYS 69 HZB LYS 69 9.154 -1.602 16.313 583 1H MET 1 HNC MET 1 -13.493 -4.361 -7.145 584 2H MET 1 HN MET 1 -14.190 -3.176 -6.262 585 3H MET 1 HNB MET 1 -12.993 -2.815 -7.314 586 HA MET 1 HA MET 1 -11.986 -2.706 -5.288 587 1HB MET 1 HBS MET 1 -12.192 -4.381 -3.581 588 2HB MET 1 HBR MET 1 -13.799 -3.768 -4.033 589 1HG MET 1 HGS MET 1 -12.679 -6.276 -5.349 590 2HG MET 1 HGR MET 1 -13.374 -6.360 -3.715 591 1HE MET 1 HME MET 1 -13.698 -7.017 -6.909 592 2HE MET 1 HME MET 1 -15.417 -7.469 -7.030 593 3HE MET 1 HME MET 1 -14.846 -5.940 -7.745 594 H GLU 2 HN GLU 2 -10.245 -4.364 -4.342 595 HA GLU 2 HA GLU 2 -8.271 -5.445 -4.767 596 1HB GLU 2 HBR GLU 2 -9.688 -6.637 -7.155 597 2HB GLU 2 HBS GLU 2 -8.230 -7.114 -6.476 598 1HG GLU 2 HGS GLU 2 -9.716 -7.260 -4.240 599 2HG GLU 2 HGR GLU 2 -10.955 -7.743 -5.431 600 H LEU 3 HN LEU 3 -6.571 -4.437 -5.491 601 HA LEU 3 HA LEU 3 -6.908 -2.263 -7.333 602 1HB LEU 3 HBR LEU 3 -4.240 -3.219 -6.349 603 2HB LEU 3 HBS LEU 3 -4.861 -1.556 -6.550 604 HG LEU 3 HG LEU 3 -5.567 -3.495 -4.332 605 1HD1 LEU 3 HMD LEU 3 -3.791 -1.063 -4.545 606 2HD1 LEU 3 HMD LEU 3 -4.508 -1.562 -2.993 607 3HD1 LEU 3 HMD LEU 3 -3.421 -2.669 -3.869 608 1HD2 LEU 3 HMD LEU 3 -7.119 -1.494 -5.432 609 2HD2 LEU 3 HMD LEU 3 -7.255 -2.126 -3.771 610 3HD2 LEU 3 HMD LEU 3 -6.291 -0.662 -4.091 611 HA PRO 4 HA PRO 4 -5.577 -4.103 -11.119 612 1HB PRO 4 HBR PRO 4 -4.906 -1.718 -12.225 613 2HB PRO 4 HBS PRO 4 -6.319 -2.523 -12.450 614 1HG PRO 4 HGS PRO 4 -5.966 -0.189 -11.111 615 2HG PRO 4 HGR PRO 4 -7.396 -1.027 -11.304 616 1HD PRO 4 HDS PRO 4 -5.757 -0.897 -9.044 617 2HD PRO 4 HDR PRO 4 -7.308 -1.460 -9.154 618 H ILE 5 HN ILE 5 -3.771 -4.697 -12.223 619 HA ILE 5 HA ILE 5 -1.337 -4.153 -10.685 620 HB ILE 5 HB ILE 5 -0.424 -6.093 -11.906 621 1HG1 ILE 5 HG1 ILE 5 -2.948 -6.850 -13.242 622 2HG1 ILE 5 HG1 ILE 5 -2.190 -5.369 -13.893 623 1HG2 ILE 5 HMG ILE 5 -3.083 -6.374 -10.556 624 2HG2 ILE 5 HMG ILE 5 -2.283 -7.805 -11.257 625 3HG2 ILE 5 HMG ILE 5 -1.457 -6.849 -9.998 626 1HD1 ILE 5 HMD ILE 5 -0.670 -7.958 -13.525 627 2HD1 ILE 5 HMD ILE 5 -1.563 -7.557 -15.016 628 3HD1 ILE 5 HMD ILE 5 -0.210 -6.524 -14.481 629 H ALA 6 HN ALA 6 -2.641 -2.304 -12.794 630 HA ALA 6 HA ALA 6 -0.499 -2.088 -14.799 631 1HB ALA 6 HMB ALA 6 -3.227 -1.068 -14.435 632 2HB ALA 6 HMB ALA 6 -2.074 0.152 -15.033 633 3HB ALA 6 HMB ALA 6 -2.298 -1.375 -15.924 634 HA PRO 7 HA PRO 7 0.184 1.862 -12.066 635 1HB PRO 7 HBR PRO 7 -1.214 1.873 -9.783 636 2HB PRO 7 HBS PRO 7 -1.552 2.810 -11.088 637 1HG PRO 7 HGS PRO 7 -2.924 0.568 -10.169 638 2HG PRO 7 HGR PRO 7 -3.464 1.764 -11.199 639 1HD PRO 7 HDS PRO 7 -2.722 -0.728 -11.929 640 2HD PRO 7 HDR PRO 7 -3.001 0.538 -12.955 641 H ILE 8 HN ILE 8 -0.760 -0.776 -9.999 642 HA ILE 8 HA ILE 8 1.533 -0.836 -8.423 643 HB ILE 8 HB ILE 8 -0.270 -3.135 -9.323 644 1HG1 ILE 8 HG1 ILE 8 -0.320 -1.331 -6.873 645 2HG1 ILE 8 HG1 ILE 8 -1.459 -1.303 -8.248 646 1HG2 ILE 8 HMG ILE 8 2.025 -3.762 -8.345 647 2HG2 ILE 8 HMG ILE 8 1.368 -3.157 -6.802 648 3HG2 ILE 8 HMG ILE 8 0.565 -4.508 -7.645 649 1HD1 ILE 8 HMD ILE 8 -2.139 -3.633 -7.634 650 2HD1 ILE 8 HMD ILE 8 -1.129 -3.484 -6.171 651 3HD1 ILE 8 HMD ILE 8 -2.526 -2.399 -6.406 652 H GLY 9 HN GLY 9 0.982 -2.137 -11.654 653 1HA GLY 9 HAR GLY 9 3.225 -3.737 -11.959 654 2HA GLY 9 HAS GLY 9 2.455 -2.830 -13.288 655 H ARG 10 HN ARG 10 2.922 -0.236 -12.670 656 HA ARG 10 HA ARG 10 5.673 -0.056 -13.499 657 1HB ARG 10 HBR ARG 10 4.102 2.400 -12.851 658 2HB ARG 10 HBS ARG 10 5.183 2.042 -14.229 659 1HG ARG 10 HGS ARG 10 3.351 0.470 -15.060 660 2HG ARG 10 HGR ARG 10 2.292 1.231 -13.838 661 1HD ARG 10 HDS ARG 10 2.857 3.437 -14.836 662 2HD ARG 10 HDR ARG 10 3.720 2.567 -16.135 663 HE ARG 10 HE ARG 10 1.297 1.412 -16.263 664 1HH1 ARG 10 HH1 ARG 10 2.355 4.774 -16.302 665 2HH1 ARG 10 HH1 ARG 10 0.903 5.336 -17.059 666 1HH2 ARG 10 HH2 ARG 10 -0.641 2.202 -17.134 667 2HH2 ARG 10 HH2 ARG 10 -0.792 3.881 -17.533 668 H ILE 11 HN ILE 11 4.014 0.262 -10.495 669 HA ILE 11 HA ILE 11 5.926 1.786 -9.020 670 HB ILE 11 HB ILE 11 4.039 -0.470 -8.186 671 1HG1 ILE 11 HG1 ILE 11 3.114 1.667 -9.203 672 2HG1 ILE 11 HG1 ILE 11 2.479 1.199 -7.600 673 1HG2 ILE 11 HMG ILE 11 6.102 0.896 -6.663 674 2HG2 ILE 11 HMG ILE 11 4.480 1.117 -5.955 675 3HG2 ILE 11 HMG ILE 11 5.111 -0.526 -6.245 676 1HD1 ILE 11 HMD ILE 11 4.395 2.822 -6.756 677 2HD1 ILE 11 HMD ILE 11 4.193 3.518 -8.386 678 3HD1 ILE 11 HMD ILE 11 2.802 3.439 -7.272 679 H ILE 12 HN ILE 12 5.497 -1.774 -9.093 680 HA ILE 12 HA ILE 12 7.930 -2.318 -7.793 681 HB ILE 12 HB ILE 12 6.529 -4.211 -9.732 682 1HG1 ILE 12 HG1 ILE 12 4.744 -3.292 -8.485 683 2HG1 ILE 12 HG1 ILE 12 5.102 -4.882 -7.755 684 1HG2 ILE 12 HMG ILE 12 8.635 -4.509 -7.795 685 2HG2 ILE 12 HMG ILE 12 7.239 -5.531 -7.360 686 3HG2 ILE 12 HMG ILE 12 7.988 -5.682 -8.972 687 1HD1 ILE 12 HMD ILE 12 6.023 -2.208 -6.657 688 2HD1 ILE 12 HMD ILE 12 4.616 -3.138 -6.077 689 3HD1 ILE 12 HMD ILE 12 6.259 -3.811 -5.910 690 H LYS 13 HN LYS 13 7.135 -2.019 -11.228 691 HA LYS 13 HA LYS 13 9.683 -2.622 -12.293 692 1HB LYS 13 HBR LYS 13 7.310 -1.039 -13.174 693 2HB LYS 13 HBS LYS 13 8.863 -0.738 -14.004 694 1HG LYS 13 HGR LYS 13 9.024 -3.064 -14.665 695 2HG LYS 13 HGS LYS 13 7.581 -3.481 -13.697 696 1HD LYS 13 HDS LYS 13 6.876 -3.400 -15.930 697 2HD LYS 13 HDR LYS 13 6.227 -2.011 -15.102 698 1HE LYS 13 HES LYS 13 8.036 -0.605 -16.034 699 2HE LYS 13 HER LYS 13 8.594 -2.029 -16.956 700 1HZ LYS 13 HZA LYS 13 5.842 -1.597 -17.318 701 2HZ LYS 13 HZB LYS 13 6.673 -0.244 -17.701 702 3HZ LYS 13 HZC LYS 13 7.032 -1.658 -18.435 703 H ASP 14 HN ASP 14 8.276 0.454 -11.141 704 HA ASP 14 HA ASP 14 10.362 2.087 -11.703 705 1HB ASP 14 HBS ASP 14 8.162 2.820 -10.932 706 2HB ASP 14 HBR ASP 14 8.593 2.313 -9.272 707 H ALA 15 HN ALA 15 10.005 0.049 -8.844 708 HA ALA 15 HA ALA 15 12.388 0.552 -7.531 709 1HB ALA 15 HMB ALA 15 10.414 -1.476 -7.573 710 2HB ALA 15 HMB ALA 15 11.999 -2.282 -7.689 711 3HB ALA 15 HMB ALA 15 11.662 -1.168 -6.339 712 H GLY 16 HN GLY 16 11.857 -1.532 -10.371 713 1HA GLY 16 HAR GLY 16 13.806 -1.817 -11.908 714 2HA GLY 16 HAS GLY 16 14.795 -2.108 -10.452 715 H ALA 17 HN ALA 17 11.537 -3.299 -10.451 716 HA ALA 17 HA ALA 17 12.126 -6.015 -10.292 717 1HB ALA 17 HMB ALA 17 9.913 -4.595 -9.978 718 2HB ALA 17 HMB ALA 17 9.600 -5.165 -11.637 719 3HB ALA 17 HMB ALA 17 9.873 -6.342 -10.327 720 H GLU 18 HN GLU 18 12.794 -7.489 -11.656 721 HA GLU 18 HA GLU 18 13.485 -6.698 -14.400 722 1HB GLU 18 HBR GLU 18 14.767 -8.128 -12.617 723 2HB GLU 18 HBS GLU 18 13.695 -9.345 -13.050 724 1HG GLU 18 HGS GLU 18 15.919 -9.420 -14.238 725 2HG GLU 18 HGR GLU 18 14.486 -9.619 -15.282 726 H ARG 19 HN ARG 19 11.370 -9.029 -12.709 727 HA ARG 19 HA ARG 19 9.257 -8.755 -14.657 728 1HB ARG 19 HBR ARG 19 11.314 -10.798 -15.088 729 2HB ARG 19 HBS ARG 19 9.667 -11.475 -14.935 730 1HG ARG 19 HGS ARG 19 10.534 -9.310 -16.882 731 2HG ARG 19 HGR ARG 19 10.261 -11.031 -17.277 732 1HD ARG 19 HDS ARG 19 7.931 -10.461 -16.085 733 2HD ARG 19 HDR ARG 19 8.339 -8.850 -16.739 734 HE ARG 19 HE ARG 19 8.518 -11.126 -18.593 735 1HH1 ARG 19 HH1 ARG 19 6.898 -8.166 -17.573 736 2HH1 ARG 19 HH1 ARG 19 5.832 -8.150 -18.938 737 1HH2 ARG 19 HH2 ARG 19 7.021 -11.143 -20.295 738 2HH2 ARG 19 HH2 ARG 19 5.902 -9.834 -20.479 739 H VAL 20 HN VAL 20 7.847 -8.528 -13.029 740 HA VAL 20 HA VAL 20 7.504 -10.742 -11.099 741 HB VAL 20 HB VAL 20 5.463 -9.272 -10.468 742 1HG1 VAL 20 HMG VAL 20 8.330 -8.931 -9.776 743 2HG1 VAL 20 HMG VAL 20 7.212 -7.656 -9.234 744 3HG1 VAL 20 HMG VAL 20 6.933 -9.347 -8.754 745 1HG2 VAL 20 HMG VAL 20 5.849 -7.798 -12.539 746 2HG2 VAL 20 HMG VAL 20 5.460 -7.009 -10.991 747 3HG2 VAL 20 HMG VAL 20 7.140 -7.036 -11.579 748 H SER 21 HN SER 21 5.922 -12.206 -11.227 749 HA SER 21 HA SER 21 4.432 -12.591 -13.684 750 1HB SER 21 HBS SER 21 3.348 -14.408 -12.530 751 2HB SER 21 HBR SER 21 5.115 -14.486 -12.276 752 HG SER 21 HG SER 21 4.964 -13.639 -10.247 753 H ASP 22 HN ASP 22 2.054 -12.756 -13.656 754 HA ASP 22 HA ASP 22 0.741 -10.425 -12.637 755 1HB ASP 22 HBS ASP 22 -1.354 -11.743 -13.244 756 2HB ASP 22 HBR ASP 22 -0.227 -11.251 -14.541 757 H ASP 23 HN ASP 23 1.649 -13.431 -11.277 758 HA ASP 23 HA ASP 23 -0.128 -13.436 -9.034 759 1HB ASP 23 HBS ASP 23 2.161 -14.935 -9.919 760 2HB ASP 23 HBR ASP 23 2.295 -14.524 -8.184 761 H ALA 24 HN ALA 24 3.255 -12.295 -9.327 762 HA ALA 24 HA ALA 24 3.420 -11.302 -6.765 763 1HB ALA 24 HMB ALA 24 4.857 -10.501 -9.299 764 2HB ALA 24 HMB ALA 24 5.285 -9.854 -7.695 765 3HB ALA 24 HMB ALA 24 5.396 -11.605 -8.008 766 H ARG 25 HN ARG 25 2.521 -9.517 -9.724 767 HA ARG 25 HA ARG 25 2.216 -6.993 -8.573 768 1HB ARG 25 HBR ARG 25 0.949 -8.326 -10.960 769 2HB ARG 25 HBS ARG 25 0.454 -6.686 -10.451 770 1HG ARG 25 HGS ARG 25 2.594 -5.789 -10.883 771 2HG ARG 25 HGR ARG 25 3.343 -7.408 -10.984 772 1HD ARG 25 HDS ARG 25 1.188 -6.511 -12.878 773 2HD ARG 25 HDR ARG 25 2.915 -6.146 -13.154 774 HE ARG 25 HE ARG 25 2.310 -8.959 -12.651 775 1HH1 ARG 25 HH1 ARG 25 2.385 -6.465 -15.141 776 2HH1 ARG 25 HH1 ARG 25 2.832 -7.575 -16.393 777 1HH2 ARG 25 HH2 ARG 25 3.020 -10.357 -14.288 778 2HH2 ARG 25 HH2 ARG 25 3.190 -9.778 -15.911 779 H ILE 26 HN ILE 26 -0.330 -9.440 -9.195 780 HA ILE 26 HA ILE 26 -2.410 -8.119 -7.899 781 HB ILE 26 HB ILE 26 -1.907 -11.114 -8.241 782 1HG1 ILE 26 HG1 ILE 26 -1.943 -9.585 -10.269 783 2HG1 ILE 26 HG1 ILE 26 -3.075 -10.967 -10.286 784 1HG2 ILE 26 HMG ILE 26 -4.297 -9.631 -7.218 785 2HG2 ILE 26 HMG ILE 26 -4.521 -11.110 -8.189 786 3HG2 ILE 26 HMG ILE 26 -3.582 -11.172 -6.675 787 1HD1 ILE 26 HMD ILE 26 -3.790 -8.092 -9.632 788 2HD1 ILE 26 HMD ILE 26 -4.111 -8.932 -11.173 789 3HD1 ILE 26 HMD ILE 26 -4.916 -9.475 -9.677 790 H THR 27 HN THR 27 0.277 -9.902 -6.571 791 HA THR 27 HA THR 27 -0.897 -10.475 -4.052 792 HB THR 27 HB THR 27 2.059 -10.312 -4.870 793 HG1 THR 27 HG1 THR 27 0.245 -12.292 -4.457 794 1HG2 THR 27 HMG THR 27 1.872 -10.174 -2.442 795 2HG2 THR 27 HMG THR 27 0.859 -11.640 -2.425 796 3HG2 THR 27 HMG THR 27 2.557 -11.737 -2.956 797 H LEU 28 HN LEU 28 1.245 -7.849 -5.152 798 HA LEU 28 HA LEU 28 1.294 -6.373 -2.706 799 1HB LEU 28 HBR LEU 28 1.805 -5.900 -5.609 800 2HB LEU 28 HBS LEU 28 1.538 -4.473 -4.569 801 HG LEU 28 HG LEU 28 3.862 -4.741 -4.727 802 1HD1 LEU 28 HMD LEU 28 2.529 -5.145 -2.247 803 2HD1 LEU 28 HMD LEU 28 3.978 -6.182 -2.254 804 3HD1 LEU 28 HMD LEU 28 4.134 -4.430 -2.543 805 1HD2 LEU 28 HMD LEU 28 3.207 -7.659 -4.366 806 2HD2 LEU 28 HMD LEU 28 4.159 -6.858 -5.642 807 3HD2 LEU 28 HMD LEU 28 4.839 -7.040 -4.004 808 H ALA 29 HN ALA 29 -1.008 -6.639 -5.373 809 HA ALA 29 HA ALA 29 -2.518 -4.340 -4.832 810 1HB ALA 29 HMB ALA 29 -2.597 -5.709 -6.900 811 2HB ALA 29 HMB ALA 29 -3.520 -6.946 -6.008 812 3HB ALA 29 HMB ALA 29 -4.203 -5.316 -6.236 813 H LYS 30 HN LYS 30 -3.034 -7.710 -3.753 814 HA LYS 30 HA LYS 30 -5.251 -7.016 -2.069 815 1HB LYS 30 HBR LYS 30 -3.735 -9.435 -2.776 816 2HB LYS 30 HBS LYS 30 -4.306 -9.406 -1.084 817 1HG LYS 30 HGR LYS 30 -6.604 -8.743 -2.129 818 2HG LYS 30 HGS LYS 30 -5.908 -9.385 -3.644 819 1HD LYS 30 HDS LYS 30 -6.624 -11.366 -3.020 820 2HD LYS 30 HDR LYS 30 -5.292 -11.357 -1.897 821 1HE LYS 30 HES LYS 30 -6.894 -10.189 -0.259 822 2HE LYS 30 HER LYS 30 -8.170 -10.756 -1.373 823 1HZ LYS 30 HZB LYS 30 -6.777 -12.957 -1.045 824 2HZ LYS 30 HZC LYS 30 -6.493 -12.269 0.409 825 3HZ LYS 30 HZA LYS 30 -8.027 -12.549 -0.076 826 H ILE 31 HN ILE 31 -1.791 -7.109 -1.671 827 HA ILE 31 HA ILE 31 -1.692 -6.980 1.223 828 HB ILE 31 HB ILE 31 0.210 -6.181 -1.027 829 1HG1 ILE 31 HG1 ILE 31 0.589 -8.371 1.027 830 2HG1 ILE 31 HG1 ILE 31 -0.403 -8.621 -0.437 831 1HG2 ILE 31 HMG ILE 31 0.642 -4.700 0.867 832 2HG2 ILE 31 HMG ILE 31 0.805 -6.115 1.941 833 3HG2 ILE 31 HMG ILE 31 1.973 -5.860 0.617 834 1HD1 ILE 31 HMD ILE 31 1.556 -8.045 -1.830 835 2HD1 ILE 31 HMD ILE 31 2.536 -7.878 -0.349 836 3HD1 ILE 31 HMD ILE 31 1.847 -9.464 -0.789 837 H LEU 32 HN LEU 32 -0.836 -4.428 -1.107 838 HA LEU 32 HA LEU 32 -0.917 -2.429 0.717 839 1HB LEU 32 HBR LEU 32 -1.127 -2.564 -2.269 840 2HB LEU 32 HBS LEU 32 -1.265 -0.978 -1.458 841 HG LEU 32 HG LEU 32 0.996 -1.779 -0.321 842 1HD1 LEU 32 HMD LEU 32 0.961 -3.978 -1.475 843 2HD1 LEU 32 HMD LEU 32 1.044 -3.129 -3.039 844 3HD1 LEU 32 HMD LEU 32 2.393 -3.000 -1.882 845 1HD2 LEU 32 HMD LEU 32 0.395 -0.491 -2.969 846 2HD2 LEU 32 HMD LEU 32 0.976 0.240 -1.451 847 3HD2 LEU 32 HMD LEU 32 2.087 -0.722 -2.459 848 H GLU 33 HN GLU 33 -3.640 -3.687 -1.094 849 HA GLU 33 HA GLU 33 -5.438 -1.578 -0.331 850 1HB GLU 33 HBR GLU 33 -5.597 -2.982 -2.346 851 2HB GLU 33 HBS GLU 33 -5.728 -4.354 -1.389 852 1HG GLU 33 HGS GLU 33 -7.785 -2.840 -0.376 853 2HG GLU 33 HGR GLU 33 -7.927 -2.532 -2.128 854 H GLU 34 HN GLU 34 -4.531 -4.705 1.021 855 HA GLU 34 HA GLU 34 -6.411 -4.753 3.213 856 1HB GLU 34 HBR GLU 34 -3.970 -6.073 2.309 857 2HB GLU 34 HBS GLU 34 -3.890 -5.720 3.946 858 1HG GLU 34 HGS GLU 34 -6.258 -7.141 2.782 859 2HG GLU 34 HGR GLU 34 -4.887 -8.036 3.492 860 H MET 35 HN MET 35 -3.318 -3.157 2.528 861 HA MET 35 HA MET 35 -3.034 -2.080 5.152 862 1HB MET 35 HBS MET 35 -1.550 -2.102 2.665 863 2HB MET 35 HBR MET 35 -1.529 -0.479 3.413 864 1HG MET 35 HGS MET 35 -0.899 -1.637 5.606 865 2HG MET 35 HGR MET 35 -0.674 -3.121 4.647 866 1HE MET 35 HME MET 35 1.344 -1.445 6.427 867 2HE MET 35 HME MET 35 2.639 -0.589 5.553 868 3HE MET 35 HME MET 35 1.065 0.204 5.812 869 H GLY 36 HN GLY 36 -4.399 -0.840 2.131 870 1HA GLY 36 HAR GLY 36 -4.732 1.838 3.014 871 2HA GLY 36 HAS GLY 36 -5.564 1.075 1.631 872 H ARG 37 HN ARG 37 -6.912 -0.983 2.983 873 HA ARG 37 HA ARG 37 -9.174 0.257 4.220 874 1HB ARG 37 HBR ARG 37 -8.399 -2.364 3.409 875 2HB ARG 37 HBS ARG 37 -8.864 -2.437 5.133 876 1HG ARG 37 HGS ARG 37 -10.875 -0.906 4.015 877 2HG ARG 37 HGR ARG 37 -10.520 -2.098 2.733 878 1HD ARG 37 HDS ARG 37 -11.780 -3.524 3.842 879 2HD ARG 37 HDR ARG 37 -10.499 -3.569 5.086 880 HE ARG 37 HE ARG 37 -13.021 -2.033 5.201 881 1HH1 ARG 37 HH1 ARG 37 -9.865 -2.661 6.642 882 2HH1 ARG 37 HH1 ARG 37 -10.386 -2.231 8.237 883 1HH2 ARG 37 HH2 ARG 37 -13.700 -1.603 7.321 884 2HH2 ARG 37 HH2 ARG 37 -12.556 -1.630 8.621 885 H ASP 38 HN ASP 38 -6.147 -1.133 5.414 886 HA ASP 38 HA ASP 38 -6.832 -1.004 8.158 887 1HB ASP 38 HBS ASP 38 -4.933 -2.017 8.473 888 2HB ASP 38 HBR ASP 38 -4.771 -2.029 6.697 889 H ILE 39 HN ILE 39 -4.757 1.253 6.299 890 HA ILE 39 HA ILE 39 -4.441 3.005 8.571 891 HB ILE 39 HB ILE 39 -3.948 3.686 5.635 892 1HG1 ILE 39 HG1 ILE 39 -1.849 2.459 7.430 893 2HG1 ILE 39 HG1 ILE 39 -2.981 1.430 6.511 894 1HG2 ILE 39 HMG ILE 39 -2.658 4.669 8.191 895 2HG2 ILE 39 HMG ILE 39 -2.137 5.093 6.538 896 3HG2 ILE 39 HMG ILE 39 -3.752 5.582 7.118 897 1HD1 ILE 39 HMD ILE 39 -1.300 3.565 5.192 898 2HD1 ILE 39 HMD ILE 39 -0.712 1.901 5.450 899 3HD1 ILE 39 HMD ILE 39 -2.152 2.191 4.437 900 H ALA 40 HN ALA 40 -6.873 2.531 6.195 901 HA ALA 40 HA ALA 40 -8.057 5.171 6.181 902 1HB ALA 40 HMB ALA 40 -8.509 3.386 4.500 903 2HB ALA 40 HMB ALA 40 -9.383 2.480 5.761 904 3HB ALA 40 HMB ALA 40 -9.970 4.082 5.246 905 H SER 41 HN SER 41 -9.381 2.171 7.603 906 HA SER 41 HA SER 41 -11.014 3.452 9.437 907 1HB SER 41 HBS SER 41 -10.632 0.873 8.685 908 2HB SER 41 HBR SER 41 -9.986 0.840 10.352 909 HG SER 41 HG SER 41 -12.579 1.340 9.262 910 H GLU 42 HN GLU 42 -7.618 3.077 9.542 911 HA GLU 42 HA GLU 42 -7.416 3.497 12.418 912 1HB GLU 42 HBR GLU 42 -5.626 3.099 10.063 913 2HB GLU 42 HBS GLU 42 -4.998 3.951 11.365 914 1HG GLU 42 HGS GLU 42 -4.493 1.523 11.474 915 2HG GLU 42 HGR GLU 42 -5.230 2.162 12.968 916 H ALA 43 HN ALA 43 -6.911 5.390 9.439 917 HA ALA 43 HA ALA 43 -6.367 7.892 10.808 918 1HB ALA 43 HMB ALA 43 -7.095 7.087 7.999 919 2HB ALA 43 HMB ALA 43 -7.080 8.796 8.505 920 3HB ALA 43 HMB ALA 43 -5.593 7.819 8.619 921 H ILE 44 HN ILE 44 -9.118 5.927 10.205 922 HA ILE 44 HA ILE 44 -10.995 8.158 10.377 923 HB ILE 44 HB ILE 44 -11.314 5.151 9.945 924 1HG1 ILE 44 HG1 ILE 44 -11.905 7.381 7.984 925 2HG1 ILE 44 HG1 ILE 44 -10.255 6.732 8.203 926 1HG2 ILE 44 HMG ILE 44 -13.442 7.285 10.092 927 2HG2 ILE 44 HMG ILE 44 -13.670 5.740 9.230 928 3HG2 ILE 44 HMG ILE 44 -13.341 5.743 10.983 929 1HD1 ILE 44 HMD ILE 44 -11.627 4.429 7.843 930 2HD1 ILE 44 HMD ILE 44 -12.623 5.546 6.872 931 3HD1 ILE 44 HMD ILE 44 -10.885 5.363 6.516 932 H LYS 45 HN LYS 45 -10.514 5.074 12.147 933 HA LYS 45 HA LYS 45 -11.920 5.758 14.495 934 1HB LYS 45 HBR LYS 45 -10.884 3.507 13.839 935 2HB LYS 45 HBS LYS 45 -9.353 4.163 14.487 936 1HG LYS 45 HGR LYS 45 -9.992 3.854 16.624 937 2HG LYS 45 HGS LYS 45 -11.635 4.486 16.319 938 1HD LYS 45 HDS LYS 45 -11.090 1.842 15.151 939 2HD LYS 45 HDR LYS 45 -10.976 1.902 16.888 940 1HE LYS 45 HES LYS 45 -13.168 1.729 17.021 941 2HE LYS 45 HER LYS 45 -13.281 3.350 16.280 942 1HZ LYS 45 HZA LYS 45 -12.842 1.183 14.453 943 2HZ LYS 45 HZB LYS 45 -14.292 1.158 15.206 944 3HZ LYS 45 HZC LYS 45 -13.846 2.466 14.335 945 H LEU 46 HN LEU 46 -8.920 6.906 13.210 946 HA LEU 46 HA LEU 46 -7.961 8.207 15.621 947 1HB LEU 46 HBR LEU 46 -7.384 8.164 12.703 948 2HB LEU 46 HBS LEU 46 -6.934 9.646 13.595 949 HG LEU 46 HG LEU 46 -6.029 6.887 14.432 950 1HD1 LEU 46 HMD LEU 46 -4.996 8.737 12.327 951 2HD1 LEU 46 HMD LEU 46 -3.811 7.942 13.394 952 3HD1 LEU 46 HMD LEU 46 -4.937 6.959 12.425 953 1HD2 LEU 46 HMD LEU 46 -5.638 9.705 15.264 954 2HD2 LEU 46 HMD LEU 46 -5.560 8.200 16.215 955 3HD2 LEU 46 HMD LEU 46 -4.168 8.698 15.219 956 H ALA 47 HN ALA 47 -9.758 9.276 12.710 957 HA ALA 47 HA ALA 47 -10.110 11.926 13.516 958 1HB ALA 47 HMB ALA 47 -10.608 10.572 11.270 959 2HB ALA 47 HMB ALA 47 -12.268 10.653 11.912 960 3HB ALA 47 HMB ALA 47 -11.346 12.153 11.633 961 H ARG 48 HN ARG 48 -11.838 9.035 14.434 962 HA ARG 48 HA ARG 48 -14.014 10.376 15.819 963 1HB ARG 48 HBR ARG 48 -13.986 7.944 15.075 964 2HB ARG 48 HBS ARG 48 -12.864 7.644 16.434 965 1HG ARG 48 HGS ARG 48 -15.215 7.077 16.969 966 2HG ARG 48 HGR ARG 48 -14.543 8.345 18.033 967 1HD ARG 48 HDS ARG 48 -16.892 8.692 17.168 968 2HD ARG 48 HDR ARG 48 -15.737 10.038 16.952 969 HE ARG 48 HE ARG 48 -15.471 9.062 14.585 970 1HH1 ARG 48 HH1 ARG 48 -18.469 9.216 16.435 971 2HH1 ARG 48 HH1 ARG 48 -19.470 9.049 15.033 972 1HH2 ARG 48 HH2 ARG 48 -16.811 8.716 12.790 973 2HH2 ARG 48 HH2 ARG 48 -18.534 8.768 12.969 974 H HIS 49 HN HIS 49 -10.798 9.083 16.642 975 HA HIS 49 HA HIS 49 -10.723 9.860 19.348 976 1HB HIS 49 HBS HIS 49 -8.945 8.516 17.983 977 2HB HIS 49 HBR HIS 49 -8.275 10.126 17.590 978 HD1 HIS 49 HD1 HIS 49 -7.766 11.659 19.895 979 HD2 HIS 49 HD2 HIS 49 -8.011 7.520 20.292 980 HE1 HIS 49 HE1 HIS 49 -6.522 11.076 21.991 981 HE2 HIS 49 HE2 HIS 49 -6.648 8.570 22.224 982 H ALA 50 HN ALA 50 -10.110 11.689 16.373 983 HA ALA 50 HA ALA 50 -9.396 14.149 17.482 984 1HB ALA 50 HMB ALA 50 -10.264 13.137 14.958 985 2HB ALA 50 HMB ALA 50 -11.164 14.634 15.312 986 3HB ALA 50 HMB ALA 50 -9.382 14.640 15.328 987 H GLY 51 HN GLY 51 -12.648 12.803 16.890 988 1HA GLY 51 HAR GLY 51 -14.523 13.491 18.402 989 2HA GLY 51 HAS GLY 51 -13.823 15.131 18.356 990 H ARG 52 HN ARG 52 -13.868 12.965 15.576 991 HA ARG 52 HA ARG 52 -15.134 12.870 13.655 992 1HB ARG 52 HBR ARG 52 -17.087 14.810 14.920 993 2HB ARG 52 HBS ARG 52 -17.336 13.745 13.506 994 1HG ARG 52 HGS ARG 52 -17.901 11.984 14.781 995 2HG ARG 52 HGR ARG 52 -16.620 12.316 15.981 996 1HD ARG 52 HDS ARG 52 -18.065 13.252 17.352 997 2HD ARG 52 HDR ARG 52 -18.631 14.363 16.073 998 HE ARG 52 HE ARG 52 -19.727 11.701 15.804 999 1HH1 ARG 52 HH1 ARG 52 -20.167 14.920 17.175 1000 2HH1 ARG 52 HH1 ARG 52 -21.831 14.645 17.565 1001 1HH2 ARG 52 HH2 ARG 52 -21.870 11.335 16.446 1002 2HH2 ARG 52 HH2 ARG 52 -22.796 12.617 17.152 1003 H LYS 53 HN LYS 53 -13.625 13.834 12.419 1004 HA LYS 53 HA LYS 53 -14.361 16.435 11.330 1005 1HB LYS 53 HBR LYS 53 -12.091 16.132 13.218 1006 2HB LYS 53 HBS LYS 53 -11.735 16.983 11.688 1007 1HG LYS 53 HGR LYS 53 -12.561 18.844 12.610 1008 2HG LYS 53 HGS LYS 53 -14.171 18.069 12.605 1009 1HD LYS 53 HDS LYS 53 -13.841 17.204 14.813 1010 2HD LYS 53 HDR LYS 53 -12.179 17.725 14.825 1011 1HE LYS 53 HES LYS 53 -12.805 19.603 15.793 1012 2HE LYS 53 HER LYS 53 -13.624 20.038 14.266 1013 1HZ LYS 53 HZA LYS 53 -15.325 18.345 15.507 1014 2HZ LYS 53 HZB LYS 53 -14.749 19.251 16.738 1015 3HZ LYS 53 HZC LYS 53 -15.458 19.972 15.456 1016 H THR 54 HN THR 54 -12.149 17.050 9.937 1017 HA THR 54 HA THR 54 -12.421 15.093 7.846 1018 HB THR 54 HB THR 54 -10.819 17.708 7.992 1019 HG1 THR 54 HG1 THR 54 -13.103 16.865 6.785 1020 1HG2 THR 54 HMG THR 54 -11.049 15.703 5.813 1021 2HG2 THR 54 HMG THR 54 -11.211 17.419 5.359 1022 3HG2 THR 54 HMG THR 54 -9.745 16.855 6.201 1023 H ILE 55 HN ILE 55 -11.123 13.529 7.243 1024 HA ILE 55 HA ILE 55 -8.533 13.058 8.526 1025 HB ILE 55 HB ILE 55 -10.007 11.659 6.242 1026 1HG1 ILE 55 HG1 ILE 55 -9.479 10.516 8.987 1027 2HG1 ILE 55 HG1 ILE 55 -10.832 11.652 8.722 1028 1HG2 ILE 55 HMG ILE 55 -7.313 11.559 6.570 1029 2HG2 ILE 55 HMG ILE 55 -7.840 10.202 7.602 1030 3HG2 ILE 55 HMG ILE 55 -8.308 10.248 5.881 1031 1HD1 ILE 55 HMD ILE 55 -10.601 9.328 6.867 1032 2HD1 ILE 55 HMD ILE 55 -11.121 9.007 8.544 1033 3HD1 ILE 55 HMD ILE 55 -12.046 10.142 7.525 1034 H LYS 56 HN LYS 56 -6.573 13.441 7.683 1035 HA LYS 56 HA LYS 56 -6.376 14.786 5.069 1036 1HB LYS 56 HBR LYS 56 -6.395 16.282 7.470 1037 2HB LYS 56 HBS LYS 56 -4.690 16.180 6.943 1038 1HG LYS 56 HGR LYS 56 -5.549 16.912 4.628 1039 2HG LYS 56 HGS LYS 56 -7.064 17.351 5.468 1040 1HD LYS 56 HDS LYS 56 -5.641 19.282 5.205 1041 2HD LYS 56 HDR LYS 56 -5.941 18.889 6.875 1042 1HE LYS 56 HES LYS 56 -3.607 19.566 6.426 1043 2HE LYS 56 HER LYS 56 -3.784 17.952 7.170 1044 1HZ LYS 56 HZC LYS 56 -3.755 17.253 4.684 1045 2HZ LYS 56 HZA LYS 56 -2.938 18.653 4.489 1046 3HZ LYS 56 HZB LYS 56 -2.361 17.505 5.497 1047 H ALA 57 HN ALA 57 -3.856 15.460 4.942 1048 HA ALA 57 HA ALA 57 -2.362 13.114 4.818 1049 1HB ALA 57 HMB ALA 57 -1.371 15.968 5.069 1050 2HB ALA 57 HMB ALA 57 -0.420 14.571 4.502 1051 3HB ALA 57 HMB ALA 57 -1.829 15.130 3.565 1052 H GLU 58 HN GLU 58 -2.887 15.294 7.497 1053 HA GLU 58 HA GLU 58 -0.749 14.228 9.113 1054 1HB GLU 58 HBR GLU 58 -2.251 16.476 9.041 1055 2HB GLU 58 HBS GLU 58 -3.150 15.598 10.154 1056 1HG GLU 58 HGS GLU 58 -1.052 15.141 11.488 1057 2HG GLU 58 HGR GLU 58 -0.255 16.443 10.564 1058 H ASP 59 HN ASP 59 -4.257 13.705 8.861 1059 HA ASP 59 HA ASP 59 -4.316 11.896 11.070 1060 1HB ASP 59 HBS ASP 59 -6.203 13.243 9.433 1061 2HB ASP 59 HBR ASP 59 -6.605 11.501 9.452 1062 H ILE 60 HN ILE 60 -3.995 11.506 7.592 1063 HA ILE 60 HA ILE 60 -4.045 8.627 7.533 1064 HB ILE 60 HB ILE 60 -2.701 10.705 5.740 1065 1HG1 ILE 60 HG1 ILE 60 -5.148 10.842 5.866 1066 2HG1 ILE 60 HG1 ILE 60 -4.585 10.350 4.244 1067 1HG2 ILE 60 HMG ILE 60 -1.751 8.283 5.740 1068 2HG2 ILE 60 HMG ILE 60 -3.247 7.895 4.851 1069 3HG2 ILE 60 HMG ILE 60 -2.109 9.103 4.197 1070 1HD1 ILE 60 HMD ILE 60 -5.041 7.957 5.654 1071 2HD1 ILE 60 HMD ILE 60 -6.419 9.024 6.036 1072 3HD1 ILE 60 HMD ILE 60 -6.019 8.657 4.337 1073 H GLU 61 HN GLU 61 -1.327 10.970 7.505 1074 HA GLU 61 HA GLU 61 0.696 9.100 7.828 1075 1HB GLU 61 HBR GLU 61 0.368 12.014 8.453 1076 2HB GLU 61 HBS GLU 61 1.725 11.212 9.027 1077 1HG GLU 61 HGS GLU 61 2.705 10.799 7.040 1078 2HG GLU 61 HGR GLU 61 1.187 10.776 6.102 1079 H LEU 62 HN LEU 62 -1.091 10.912 10.330 1080 HA LEU 62 HA LEU 62 0.111 9.792 12.608 1081 1HB LEU 62 HBR LEU 62 -1.343 11.705 12.657 1082 2HB LEU 62 HBS LEU 62 -2.717 10.733 12.058 1083 HG LEU 62 HG LEU 62 -2.558 9.411 14.206 1084 1HD1 LEU 62 HMD LEU 62 -0.268 11.106 14.535 1085 2HD1 LEU 62 HMD LEU 62 -1.458 11.486 15.805 1086 3HD1 LEU 62 HMD LEU 62 -0.872 9.815 15.603 1087 1HD2 LEU 62 HMD LEU 62 -4.212 11.191 13.669 1088 2HD2 LEU 62 HMD LEU 62 -3.838 11.078 15.407 1089 3HD2 LEU 62 HMD LEU 62 -3.126 12.384 14.426 1090 H ALA 63 HN ALA 63 -2.738 8.666 10.759 1091 HA ALA 63 HA ALA 63 -3.213 6.312 12.123 1092 1HB ALA 63 HMB ALA 63 -3.752 7.349 9.412 1093 2HB ALA 63 HMB ALA 63 -3.804 5.575 9.578 1094 3HB ALA 63 HMB ALA 63 -4.840 6.597 10.607 1095 H VAL 64 HN VAL 64 -0.839 6.930 9.559 1096 HA VAL 64 HA VAL 64 -0.380 4.125 9.271 1097 HB VAL 64 HB VAL 64 -0.406 6.276 7.658 1098 1HG1 VAL 64 HMG VAL 64 2.542 5.628 7.931 1099 2HG1 VAL 64 HMG VAL 64 1.811 6.463 6.539 1100 3HG1 VAL 64 HMG VAL 64 1.731 7.196 8.158 1101 1HG2 VAL 64 HMG VAL 64 -0.624 3.762 7.227 1102 2HG2 VAL 64 HMG VAL 64 -0.064 4.814 5.904 1103 3HG2 VAL 64 HMG VAL 64 1.104 3.814 6.802 1104 H ARG 65 HN ARG 65 1.951 6.778 9.926 1105 HA ARG 65 HA ARG 65 4.033 5.196 10.816 1106 1HB ARG 65 HBR ARG 65 4.944 7.118 11.909 1107 2HB ARG 65 HBS ARG 65 4.163 7.631 10.385 1108 1HG ARG 65 HGS ARG 65 3.442 9.295 11.781 1109 2HG ARG 65 HGR ARG 65 2.118 8.115 12.003 1110 1HD ARG 65 HDS ARG 65 2.610 7.817 14.136 1111 2HD ARG 65 HDR ARG 65 4.351 7.626 13.790 1112 HE ARG 65 HE ARG 65 2.960 10.088 14.560 1113 1HH1 ARG 65 HH1 ARG 65 5.842 8.757 13.027 1114 2HH1 ARG 65 HH1 ARG 65 6.857 10.055 13.559 1115 1HH2 ARG 65 HH2 ARG 65 4.346 11.698 15.350 1116 2HH2 ARG 65 HH2 ARG 65 6.012 11.720 14.874 1117 H ARG 66 HN ARG 66 1.105 6.077 12.510 1118 HA ARG 66 HA ARG 66 1.992 4.932 15.049 1119 1HB ARG 66 HBR ARG 66 0.202 6.774 14.675 1120 2HB ARG 66 HBS ARG 66 -0.882 5.410 14.277 1121 1HG ARG 66 HGS ARG 66 0.641 5.742 16.885 1122 2HG ARG 66 HGR ARG 66 -1.079 6.153 16.632 1123 1HD ARG 66 HDS ARG 66 -1.192 3.682 15.753 1124 2HD ARG 66 HDR ARG 66 0.268 3.498 16.765 1125 HE ARG 66 HE ARG 66 -1.053 4.107 18.692 1126 1HH1 ARG 66 HH1 ARG 66 -2.978 3.904 15.746 1127 2HH1 ARG 66 HH1 ARG 66 -4.437 3.520 16.595 1128 1HH2 ARG 66 HH2 ARG 66 -2.953 3.485 19.759 1129 2HH2 ARG 66 HH2 ARG 66 -4.425 3.287 18.867 1130 H PHE 67 HN PHE 67 0.334 3.926 12.125 1131 HA PHE 67 HA PHE 67 -0.713 1.500 12.933 1132 1HB PHE 67 HBR PHE 67 -0.851 2.565 10.590 1133 2HB PHE 67 HBS PHE 67 0.708 1.754 10.263 1134 HD1 PHE 67 HD1 PHE 67 -2.438 0.880 11.998 1135 HD2 PHE 67 HD2 PHE 67 0.404 -0.279 9.041 1136 HE1 PHE 67 HE1 PHE 67 -3.747 -1.149 11.563 1137 HE2 PHE 67 HE2 PHE 67 -0.902 -2.330 8.583 1138 HZ PHE 67 HZ PHE 67 -2.915 -2.815 9.945 1139 H LYS 68 HN LYS 68 2.613 2.175 11.829 1140 HA LYS 68 HA LYS 68 3.409 -0.526 12.820 1141 1HB LYS 68 HBR LYS 68 3.435 0.435 10.187 1142 2HB LYS 68 HBS LYS 68 5.127 0.563 10.747 1143 1HG LYS 68 HGR LYS 68 5.184 -1.585 9.967 1144 2HG LYS 68 HGS LYS 68 4.603 -1.918 11.623 1145 1HD LYS 68 HDS LYS 68 3.082 -3.134 10.521 1146 2HD LYS 68 HDR LYS 68 2.256 -1.600 10.554 1147 1HE LYS 68 HES LYS 68 1.981 -2.346 8.368 1148 2HE LYS 68 HER LYS 68 3.282 -1.124 8.289 1149 1HZ LYS 68 HZA LYS 68 4.863 -2.933 8.324 1150 2HZ LYS 68 HZB LYS 68 3.661 -4.038 8.355 1151 3HZ LYS 68 HZC LYS 68 3.852 -3.075 7.050 1152 H LYS 69 HN LYS 69 5.202 2.259 11.496 1153 HA LYS 69 HA LYS 69 7.010 2.053 13.851 1154 1HB LYS 69 HBR LYS 69 8.643 3.157 12.196 1155 2HB LYS 69 HBS LYS 69 8.251 1.426 11.993 1156 1HG LYS 69 HGR LYS 69 6.517 2.168 10.269 1157 2HG LYS 69 HGS LYS 69 7.281 3.782 10.344 1158 1HD LYS 69 HDS LYS 69 9.331 1.830 10.014 1159 2HD LYS 69 HDR LYS 69 8.060 1.469 8.878 1160 1HE LYS 69 HES LYS 69 8.813 3.041 7.534 1161 2HE LYS 69 HER LYS 69 8.378 4.250 8.775 1162 1HZ LYS 69 HZB LYS 69 10.917 2.790 8.843 1163 2HZ LYS 69 HZC LYS 69 10.749 4.193 8.024 1164 3HZ LYS 69 HZA LYS 69 10.515 4.157 9.640 No H/Q in entry = 1164 Start of MODEL 11 Raw file had 1198 H/Q atoms Start of MODEL 11 1 1H MET 1 HNB MET 1 3.064 9.519 -13.336 2 2H MET 1 HNC MET 1 2.418 8.181 -14.015 3 3H MET 1 HN MET 1 2.223 9.636 -14.731 4 HA MET 1 HA MET 1 0.944 10.447 -12.911 5 1HB MET 1 HBS MET 1 -1.027 8.846 -13.231 6 2HB MET 1 HBR MET 1 -0.360 9.645 -14.684 7 1HG MET 1 HGS MET 1 0.811 7.638 -15.341 8 2HG MET 1 HGR MET 1 0.468 6.866 -13.772 9 1HE MET 1 HME MET 1 -1.932 9.261 -15.650 10 2HE MET 1 HME MET 1 -1.228 8.411 -17.048 11 3HE MET 1 HME MET 1 -2.947 8.180 -16.640 12 H GLU 2 HN GLU 2 0.475 10.333 -10.820 13 HA GLU 2 HA GLU 2 1.445 8.065 -9.193 14 1HB GLU 2 HBR GLU 2 1.575 10.577 -8.665 15 2HB GLU 2 HBS GLU 2 -0.096 10.531 -8.507 16 1HG GLU 2 HGS GLU 2 -0.133 9.053 -6.676 17 2HG GLU 2 HGR GLU 2 1.614 8.706 -6.769 18 H LEU 3 HN LEU 3 -0.162 7.302 -7.500 19 HA LEU 3 HA LEU 3 -2.311 6.002 -8.728 20 1HB LEU 3 HBS LEU 3 -2.177 6.605 -5.775 21 2HB LEU 3 HBR LEU 3 -2.773 5.137 -6.601 22 HG LEU 3 HG LEU 3 0.112 5.995 -6.265 23 1HD1 LEU 3 HMD LEU 3 -1.562 3.742 -5.117 24 2HD1 LEU 3 HMD LEU 3 0.215 3.831 -5.008 25 3HD1 LEU 3 HMD LEU 3 -0.789 5.080 -4.231 26 1HD2 LEU 3 HMD LEU 3 -1.050 4.560 -8.346 27 2HD2 LEU 3 HMD LEU 3 0.668 4.541 -7.872 28 3HD2 LEU 3 HMD LEU 3 -0.444 3.300 -7.240 29 HA PRO 4 HA PRO 4 -5.683 8.870 -8.654 30 1HB PRO 4 HBR PRO 4 -7.545 6.902 -8.804 31 2HB PRO 4 HBS PRO 4 -6.980 7.794 -10.061 32 1HG PRO 4 HGR PRO 4 -6.538 5.146 -9.621 33 2HG PRO 4 HGS PRO 4 -5.936 6.085 -10.861 34 1HD PRO 4 HDS PRO 4 -4.618 5.198 -8.557 35 2HD PRO 4 HDR PRO 4 -3.960 5.836 -9.935 36 H ILE 5 HN ILE 5 -7.097 9.764 -7.271 37 HA ILE 5 HA ILE 5 -6.765 8.847 -4.558 38 HB ILE 5 HB ILE 5 -8.183 10.864 -4.021 39 1HG1 ILE 5 HG1 ILE 5 -8.307 12.354 -6.323 40 2HG1 ILE 5 HG1 ILE 5 -8.629 10.711 -6.945 41 1HG2 ILE 5 HMG ILE 5 -5.566 10.801 -5.079 42 2HG2 ILE 5 HMG ILE 5 -6.361 12.252 -5.742 43 3HG2 ILE 5 HMG ILE 5 -6.290 12.002 -3.978 44 1HD1 ILE 5 HMD ILE 5 -10.135 11.952 -4.629 45 2HD1 ILE 5 HMD ILE 5 -10.666 12.051 -6.329 46 3HD1 ILE 5 HMD ILE 5 -10.533 10.463 -5.527 47 H ALA 6 HN ALA 6 -9.211 8.544 -7.021 48 HA ALA 6 HA ALA 6 -11.510 8.304 -5.386 49 1HB ALA 6 HMB ALA 6 -10.766 7.711 -8.188 50 2HB ALA 6 HMB ALA 6 -12.133 6.778 -7.532 51 3HB ALA 6 HMB ALA 6 -12.184 8.559 -7.523 52 HA PRO 7 HA PRO 7 -10.889 3.521 -5.833 53 1HB PRO 7 HBR PRO 7 -8.320 2.843 -6.372 54 2HB PRO 7 HBS PRO 7 -9.596 2.671 -7.391 55 1HG PRO 7 HGS PRO 7 -7.569 4.579 -7.468 56 2HG PRO 7 HGR PRO 7 -8.608 4.120 -8.690 57 1HD PRO 7 HDS PRO 7 -8.776 6.419 -7.345 58 2HD PRO 7 HDR PRO 7 -10.007 5.753 -8.226 59 H ILE 8 HN ILE 8 -7.944 5.027 -4.756 60 HA ILE 8 HA ILE 8 -7.587 3.517 -2.448 61 HB ILE 8 HB ILE 8 -6.902 6.449 -2.974 62 1HG1 ILE 8 HG1 ILE 8 -5.334 3.873 -3.368 63 2HG1 ILE 8 HG1 ILE 8 -6.002 4.933 -4.641 64 1HG2 ILE 8 HMG ILE 8 -5.783 4.588 -0.867 65 2HG2 ILE 8 HMG ILE 8 -5.167 6.215 -1.258 66 3HG2 ILE 8 HMG ILE 8 -6.808 6.021 -0.587 67 1HD1 ILE 8 HMD ILE 8 -3.937 5.883 -2.648 68 2HD1 ILE 8 HMD ILE 8 -3.505 5.105 -4.193 69 3HD1 ILE 8 HMD ILE 8 -4.424 6.634 -4.191 70 H GLY 9 HN GLY 9 -9.054 6.790 -2.575 71 1HA GLY 9 HAR GLY 9 -9.828 6.891 0.071 72 2HA GLY 9 HAS GLY 9 -10.615 7.824 -1.229 73 H ARG 10 HN ARG 10 -11.484 5.399 -2.658 74 HA ARG 10 HA ARG 10 -13.988 5.027 -1.362 75 1HB ARG 10 HBR ARG 10 -12.853 4.492 -3.914 76 2HB ARG 10 HBS ARG 10 -13.531 2.959 -3.296 77 1HG ARG 10 HGS ARG 10 -15.698 3.772 -3.265 78 2HG ARG 10 HGR ARG 10 -15.171 5.477 -3.178 79 1HD ARG 10 HDS ARG 10 -16.058 5.091 -5.342 80 2HD ARG 10 HDR ARG 10 -14.285 5.241 -5.488 81 HE ARG 10 HE ARG 10 -14.205 3.069 -6.253 82 1HH1 ARG 10 HH1 ARG 10 -17.419 3.710 -4.953 83 2HH1 ARG 10 HH1 ARG 10 -18.007 2.126 -5.331 84 1HH2 ARG 10 HH2 ARG 10 -14.970 0.966 -6.614 85 2HH2 ARG 10 HH2 ARG 10 -16.623 0.572 -6.272 86 H ILE 11 HN ILE 11 -11.037 3.098 -1.531 87 HA ILE 11 HA ILE 11 -11.988 0.766 -0.180 88 HB ILE 11 HB ILE 11 -9.224 2.066 -0.301 89 1HG1 ILE 11 HG1 ILE 11 -10.153 -0.402 -1.790 90 2HG1 ILE 11 HG1 ILE 11 -10.469 1.243 -2.415 91 1HG2 ILE 11 HMG ILE 11 -10.163 -0.233 1.229 92 2HG2 ILE 11 HMG ILE 11 -8.817 -0.629 0.127 93 3HG2 ILE 11 HMG ILE 11 -8.632 0.676 1.329 94 1HD1 ILE 11 HMD ILE 11 -7.894 1.559 -2.090 95 2HD1 ILE 11 HMD ILE 11 -7.866 -0.225 -2.109 96 3HD1 ILE 11 HMD ILE 11 -8.515 0.673 -3.507 97 H ILE 12 HN ILE 12 -10.628 3.866 0.936 98 HA ILE 12 HA ILE 12 -10.486 3.209 3.642 99 HB ILE 12 HB ILE 12 -10.986 5.999 2.501 100 1HG1 ILE 12 HG1 ILE 12 -9.290 5.050 1.144 101 2HG1 ILE 12 HG1 ILE 12 -8.473 6.123 2.316 102 1HG2 ILE 12 HMG ILE 12 -10.948 5.557 5.045 103 2HG2 ILE 12 HMG ILE 12 -9.191 5.345 4.820 104 3HG2 ILE 12 HMG ILE 12 -9.967 6.890 4.379 105 1HD1 ILE 12 HMD ILE 12 -8.710 3.135 2.723 106 2HD1 ILE 12 HMD ILE 12 -7.357 3.892 1.839 107 3HD1 ILE 12 HMD ILE 12 -7.635 4.290 3.556 108 H LYS 13 HN LYS 13 -13.169 4.569 1.769 109 HA LYS 13 HA LYS 13 -14.947 4.923 3.982 110 1HB LYS 13 HBS LYS 13 -15.145 5.880 1.609 111 2HB LYS 13 HBR LYS 13 -15.808 4.283 1.155 112 1HG LYS 13 HGR LYS 13 -17.319 4.891 3.362 113 2HG LYS 13 HGS LYS 13 -17.044 6.513 2.663 114 1HD LYS 13 HDS LYS 13 -18.399 6.166 0.955 115 2HD LYS 13 HDR LYS 13 -17.714 4.598 0.621 116 1HE LYS 13 HES LYS 13 -19.178 4.199 2.956 117 2HE LYS 13 HER LYS 13 -20.179 5.274 1.938 118 1HZ LYS 13 HZA LYS 13 -18.993 3.146 0.484 119 2HZ LYS 13 HZB LYS 13 -19.967 2.603 1.677 120 3HZ LYS 13 HZC LYS 13 -20.553 3.623 0.545 121 H ASP 14 HN ASP 14 -14.285 2.234 1.755 122 HA ASP 14 HA ASP 14 -16.214 0.512 2.565 123 1HB ASP 14 HBS ASP 14 -14.552 0.234 0.706 124 2HB ASP 14 HBR ASP 14 -13.421 -0.411 1.931 125 H ALA 15 HN ALA 15 -13.113 1.094 4.154 126 HA ALA 15 HA ALA 15 -13.411 -0.581 6.395 127 1HB ALA 15 HMB ALA 15 -11.626 1.323 5.557 128 2HB ALA 15 HMB ALA 15 -12.381 2.105 6.969 129 3HB ALA 15 HMB ALA 15 -11.611 0.508 7.142 130 H GLY 16 HN GLY 16 -14.660 2.699 5.775 131 1HA GLY 16 HAR GLY 16 -16.932 3.006 6.759 132 2HA GLY 16 HAS GLY 16 -16.211 2.566 8.330 133 H ALA 17 HN ALA 17 -14.135 4.348 6.259 134 HA ALA 17 HA ALA 17 -14.183 6.820 7.711 135 1HB ALA 17 HMB ALA 17 -13.023 5.776 5.187 136 2HB ALA 17 HMB ALA 17 -13.262 7.538 5.293 137 3HB ALA 17 HMB ALA 17 -12.274 6.698 6.515 138 H GLU 18 HN GLU 18 -15.259 8.686 7.346 139 HA GLU 18 HA GLU 18 -17.677 8.441 5.607 140 1HB GLU 18 HBR GLU 18 -17.452 8.464 8.321 141 2HB GLU 18 HBS GLU 18 -17.492 10.115 8.024 142 1HG GLU 18 HGS GLU 18 -19.685 10.071 8.072 143 2HG GLU 18 HGR GLU 18 -19.645 9.342 6.444 144 H ARG 19 HN ARG 19 -15.210 10.614 6.966 145 HA ARG 19 HA ARG 19 -15.617 12.411 4.629 146 1HB ARG 19 HBR ARG 19 -16.045 12.988 7.476 147 2HB ARG 19 HBS ARG 19 -14.903 14.110 6.680 148 1HG ARG 19 HGS ARG 19 -17.130 13.780 4.940 149 2HG ARG 19 HGR ARG 19 -17.771 14.066 6.582 150 1HD ARG 19 HDS ARG 19 -17.462 16.144 5.371 151 2HD ARG 19 HDR ARG 19 -16.382 16.045 6.790 152 HE ARG 19 HE ARG 19 -14.528 15.848 5.346 153 1HH1 ARG 19 HH1 ARG 19 -17.514 15.701 3.479 154 2HH1 ARG 19 HH1 ARG 19 -16.741 16.161 2.000 155 1HH2 ARG 19 HH2 ARG 19 -13.574 16.571 3.422 156 2HH2 ARG 19 HH2 ARG 19 -14.510 16.651 1.966 157 H VAL 20 HN VAL 20 -13.770 11.696 3.643 158 HA VAL 20 HA VAL 20 -11.242 12.326 5.070 159 HB VAL 20 HB VAL 20 -11.572 10.166 2.981 160 1HG1 VAL 20 HMG VAL 20 -9.247 11.345 4.374 161 2HG1 VAL 20 HMG VAL 20 -9.283 9.567 4.298 162 3HG1 VAL 20 HMG VAL 20 -9.360 10.522 2.799 163 1HG2 VAL 20 HMG VAL 20 -11.740 10.051 5.962 164 2HG2 VAL 20 HMG VAL 20 -12.660 9.165 4.722 165 3HG2 VAL 20 HMG VAL 20 -10.979 8.703 5.083 166 H SER 21 HN SER 21 -9.937 13.711 4.113 167 HA SER 21 HA SER 21 -11.097 15.136 1.845 168 1HB SER 21 HBS SER 21 -10.535 16.497 3.675 169 2HB SER 21 HBR SER 21 -8.901 15.786 3.821 170 HG SER 21 HG SER 21 -8.125 17.123 2.499 171 H ASP 22 HN ASP 22 -9.802 15.967 0.105 172 HA ASP 22 HA ASP 22 -8.639 13.792 -1.249 173 1HB ASP 22 HBR ASP 22 -8.817 16.716 -1.934 174 2HB ASP 22 HBS ASP 22 -8.081 15.496 -3.013 175 H ASP 23 HN ASP 23 -7.268 16.115 0.862 176 HA ASP 23 HA ASP 23 -4.517 15.809 0.102 177 1HB ASP 23 HBR ASP 23 -5.611 16.415 2.846 178 2HB ASP 23 HBS ASP 23 -3.961 16.709 2.226 179 H ALA 24 HN ALA 24 -6.578 14.171 2.518 180 HA ALA 24 HA ALA 24 -4.693 12.366 3.417 181 1HB ALA 24 HMB ALA 24 -7.666 12.449 3.330 182 2HB ALA 24 HMB ALA 24 -6.896 10.892 3.727 183 3HB ALA 24 HMB ALA 24 -6.549 12.335 4.714 184 H ARG 25 HN ARG 25 -6.993 11.964 0.717 185 HA ARG 25 HA ARG 25 -6.353 9.296 0.106 186 1HB ARG 25 HBS ARG 25 -7.393 11.538 -1.649 187 2HB ARG 25 HBR ARG 25 -7.236 9.840 -2.183 188 1HG ARG 25 HGS ARG 25 -8.838 9.118 -0.523 189 2HG ARG 25 HGR ARG 25 -8.921 10.763 0.168 190 1HD ARG 25 HDS ARG 25 -9.416 10.942 -2.621 191 2HD ARG 25 HDR ARG 25 -10.424 9.625 -1.957 192 HE ARG 25 HE ARG 25 -10.547 11.968 -0.303 193 1HH1 ARG 25 HH1 ARG 25 -11.911 10.370 -3.134 194 2HH1 ARG 25 HH1 ARG 25 -13.304 11.397 -3.178 195 1HH2 ARG 25 HH2 ARG 25 -12.318 13.373 -0.469 196 2HH2 ARG 25 HH2 ARG 25 -13.537 13.096 -1.670 197 H ILE 26 HN ILE 26 -5.101 12.333 -1.312 198 HA ILE 26 HA ILE 26 -3.093 11.165 -2.946 199 HB ILE 26 HB ILE 26 -3.245 13.894 -1.577 200 1HG1 ILE 26 HG1 ILE 26 -5.073 13.172 -3.189 201 2HG1 ILE 26 HG1 ILE 26 -4.245 14.714 -3.548 202 1HG2 ILE 26 HMG ILE 26 -0.922 13.279 -2.218 203 2HG2 ILE 26 HMG ILE 26 -1.476 13.119 -3.905 204 3HG2 ILE 26 HMG ILE 26 -1.567 14.699 -3.083 205 1HD1 ILE 26 HMD ILE 26 -3.692 12.050 -4.893 206 2HD1 ILE 26 HMD ILE 26 -4.650 13.392 -5.575 207 3HD1 ILE 26 HMD ILE 26 -2.907 13.609 -5.267 208 H THR 27 HN THR 27 -3.330 11.741 0.489 209 HA THR 27 HA THR 27 -0.478 11.655 1.046 210 HB THR 27 HB THR 27 -2.939 11.392 2.862 211 HG1 THR 27 HG1 THR 27 -2.855 13.112 2.138 212 1HG2 THR 27 HMG THR 27 -0.032 11.643 3.682 213 2HG2 THR 27 HMG THR 27 -1.445 11.721 4.767 214 3HG2 THR 27 HMG THR 27 -1.068 10.208 3.903 215 H LEU 28 HN LEU 28 -3.232 9.392 1.311 216 HA LEU 28 HA LEU 28 -1.796 7.132 2.105 217 1HB LEU 28 HBR LEU 28 -4.400 7.809 0.971 218 2HB LEU 28 HBS LEU 28 -3.824 6.205 0.437 219 HG LEU 28 HG LEU 28 -5.175 5.795 2.293 220 1HD1 LEU 28 HMD LEU 28 -2.446 5.228 2.407 221 2HD1 LEU 28 HMD LEU 28 -2.837 5.861 4.026 222 3HD1 LEU 28 HMD LEU 28 -3.741 4.472 3.370 223 1HD2 LEU 28 HMD LEU 28 -4.070 8.379 3.167 224 2HD2 LEU 28 HMD LEU 28 -5.659 7.635 3.481 225 3HD2 LEU 28 HMD LEU 28 -4.252 7.183 4.477 226 H ALA 29 HN ALA 29 -2.118 8.617 -1.061 227 HA ALA 29 HA ALA 29 -1.376 6.272 -2.543 228 1HB ALA 29 HMB ALA 29 -2.817 8.057 -3.428 229 2HB ALA 29 HMB ALA 29 -1.435 9.181 -3.395 230 3HB ALA 29 HMB ALA 29 -1.397 7.754 -4.462 231 H LYS 30 HN LYS 30 0.306 9.370 -1.891 232 HA LYS 30 HA LYS 30 2.835 8.664 -2.844 233 1HB LYS 30 HBS LYS 30 2.219 10.935 -2.122 234 2HB LYS 30 HBR LYS 30 2.190 10.383 -0.423 235 1HG LYS 30 HGR LYS 30 4.587 9.886 -0.522 236 2HG LYS 30 HGS LYS 30 4.631 10.359 -2.245 237 1HD LYS 30 HDS LYS 30 3.779 12.253 -0.065 238 2HD LYS 30 HDR LYS 30 5.450 12.012 -0.493 239 1HE LYS 30 HES LYS 30 4.606 12.470 -2.937 240 2HE LYS 30 HER LYS 30 3.268 13.270 -2.065 241 1HZ LYS 30 HZC LYS 30 5.483 14.153 -0.825 242 2HZ LYS 30 HZA LYS 30 5.961 14.105 -2.386 243 3HZ LYS 30 HZB LYS 30 4.644 14.973 -1.961 244 H ILE 31 HN ILE 31 1.228 7.859 0.186 245 HA ILE 31 HA ILE 31 3.416 6.428 1.422 246 HB ILE 31 HB ILE 31 0.376 6.361 1.668 247 1HG1 ILE 31 HG1 ILE 31 2.250 7.117 3.884 248 2HG1 ILE 31 HG1 ILE 31 2.066 8.238 2.506 249 1HG2 ILE 31 HMG ILE 31 1.268 4.100 2.157 250 2HG2 ILE 31 HMG ILE 31 2.292 4.815 3.430 251 3HG2 ILE 31 HMG ILE 31 0.515 4.899 3.561 252 1HD1 ILE 31 HMD ILE 31 -0.533 7.386 3.362 253 2HD1 ILE 31 HMD ILE 31 0.394 7.945 4.781 254 3HD1 ILE 31 HMD ILE 31 0.178 9.022 3.375 255 H LEU 32 HN LEU 32 0.431 5.075 0.021 256 HA LEU 32 HA LEU 32 1.338 2.513 0.134 257 1HB LEU 32 HBS LEU 32 -0.853 3.995 -1.175 258 2HB LEU 32 HBR LEU 32 -0.529 2.375 -1.851 259 HG LEU 32 HG LEU 32 -0.608 1.910 0.869 260 1HD1 LEU 32 HMD LEU 32 -2.545 4.096 0.106 261 2HD1 LEU 32 HMD LEU 32 -2.911 2.925 1.398 262 3HD1 LEU 32 HMD LEU 32 -1.484 3.984 1.532 263 1HD2 LEU 32 HMD LEU 32 -2.286 1.517 -1.530 264 2HD2 LEU 32 HMD LEU 32 -1.711 0.343 -0.319 265 3HD2 LEU 32 HMD LEU 32 -3.141 1.349 0.025 266 H GLU 33 HN GLU 33 1.650 4.742 -2.593 267 HA GLU 33 HA GLU 33 2.816 2.873 -4.388 268 1HB GLU 33 HBS GLU 33 3.333 4.726 -5.655 269 2HB GLU 33 HBR GLU 33 1.798 4.977 -5.028 270 1HG GLU 33 HGS GLU 33 2.705 7.078 -4.692 271 2HG GLU 33 HGR GLU 33 3.229 6.381 -3.135 272 H GLU 34 HN GLU 34 4.281 5.281 -2.175 273 HA GLU 34 HA GLU 34 6.972 4.592 -2.662 274 1HB GLU 34 HBS GLU 34 6.041 6.552 -1.572 275 2HB GLU 34 HBR GLU 34 5.560 5.684 -0.219 276 1HG GLU 34 HGS GLU 34 8.239 5.019 -0.397 277 2HG GLU 34 HGR GLU 34 8.286 6.685 -1.036 278 H MET 35 HN MET 35 4.505 3.128 -0.624 279 HA MET 35 HA MET 35 6.324 1.262 0.625 280 1HB MET 35 HBS MET 35 3.590 2.039 0.921 281 2HB MET 35 HBR MET 35 3.649 0.277 0.655 282 1HG MET 35 HGS MET 35 3.907 0.465 2.999 283 2HG MET 35 HGR MET 35 5.569 0.269 2.396 284 1HE MET 35 HME MET 35 6.072 1.095 4.767 285 2HE MET 35 HME MET 35 6.118 2.801 5.280 286 3HE MET 35 HME MET 35 4.587 1.891 5.346 287 H GLY 36 HN GLY 36 4.192 1.258 -2.196 288 1HA GLY 36 HAR GLY 36 4.415 -1.489 -2.842 289 2HA GLY 36 HAS GLY 36 4.004 -0.181 -3.984 290 H ARG 37 HN ARG 37 6.363 1.347 -3.769 291 HA ARG 37 HA ARG 37 8.366 -0.055 -5.288 292 1HB ARG 37 HBR ARG 37 7.951 2.504 -5.022 293 2HB ARG 37 HBS ARG 37 8.945 2.332 -3.547 294 1HG ARG 37 HGS ARG 37 10.620 1.138 -5.195 295 2HG ARG 37 HGR ARG 37 9.722 2.062 -6.433 296 1HD ARG 37 HDS ARG 37 11.797 3.133 -5.444 297 2HD ARG 37 HDR ARG 37 10.304 4.111 -5.489 298 HE ARG 37 HE ARG 37 10.970 2.651 -3.005 299 1HH1 ARG 37 HH1 ARG 37 10.992 5.713 -4.755 300 2HH1 ARG 37 HH1 ARG 37 10.917 6.664 -3.309 301 1HH2 ARG 37 HH2 ARG 37 10.740 3.926 -1.144 302 2HH2 ARG 37 HH2 ARG 37 10.771 5.654 -1.266 303 H ASP 38 HN ASP 38 7.764 0.577 -1.858 304 HA ASP 38 HA ASP 38 10.227 -0.323 -0.894 305 1HB ASP 38 HBS ASP 38 8.014 0.798 0.215 306 2HB ASP 38 HBR ASP 38 7.970 -0.855 0.894 307 H ILE 39 HN ILE 39 7.164 -2.161 -1.116 308 HA ILE 39 HA ILE 39 8.297 -4.573 -0.052 309 HB ILE 39 HB ILE 39 5.815 -4.296 -1.813 310 1HG1 ILE 39 HG1 ILE 39 5.904 -4.081 1.214 311 2HG1 ILE 39 HG1 ILE 39 5.967 -2.660 0.133 312 1HG2 ILE 39 HMG ILE 39 6.666 -6.350 0.231 313 2HG2 ILE 39 HMG ILE 39 5.009 -6.215 -0.412 314 3HG2 ILE 39 HMG ILE 39 6.365 -6.585 -1.510 315 1HD1 ILE 39 HMD ILE 39 3.731 -4.664 -0.089 316 2HD1 ILE 39 HMD ILE 39 3.697 -3.381 1.150 317 3HD1 ILE 39 HMD ILE 39 3.772 -2.949 -0.580 318 H ALA 40 HN ALA 40 8.115 -3.128 -3.236 319 HA ALA 40 HA ALA 40 8.565 -5.436 -4.814 320 1HB ALA 40 HMB ALA 40 7.881 -3.185 -5.660 321 2HB ALA 40 HMB ALA 40 9.551 -2.633 -5.396 322 3HB ALA 40 HMB ALA 40 9.231 -3.948 -6.549 323 H SER 41 HN SER 41 10.908 -2.983 -3.646 324 HA SER 41 HA SER 41 13.182 -4.351 -4.788 325 1HB SER 41 HBR SER 41 14.528 -2.736 -3.622 326 2HB SER 41 HBS SER 41 13.138 -1.917 -4.388 327 HG SER 41 HG SER 41 12.086 -1.627 -2.549 328 H GLU 42 HN GLU 42 11.413 -4.453 -1.776 329 HA GLU 42 HA GLU 42 13.146 -6.231 -0.312 330 1HB GLU 42 HBR GLU 42 10.137 -5.927 -0.425 331 2HB GLU 42 HBS GLU 42 10.971 -6.915 0.644 332 1HG GLU 42 HGR GLU 42 11.355 -3.887 0.604 333 2HG GLU 42 HGS GLU 42 10.361 -4.834 1.744 334 H ALA 43 HN ALA 43 10.460 -6.682 -2.638 335 HA ALA 43 HA ALA 43 10.718 -9.538 -2.681 336 1HB ALA 43 HMB ALA 43 9.128 -7.464 -4.088 337 2HB ALA 43 HMB ALA 43 9.343 -9.024 -4.922 338 3HB ALA 43 HMB ALA 43 8.626 -8.977 -3.290 339 H ILE 44 HN ILE 44 12.504 -7.029 -4.142 340 HA ILE 44 HA ILE 44 13.134 -8.504 -6.509 341 HB ILE 44 HB ILE 44 12.986 -5.868 -5.822 342 1HG1 ILE 44 HG1 ILE 44 14.658 -6.140 -8.182 343 2HG1 ILE 44 HG1 ILE 44 13.445 -7.452 -8.096 344 1HG2 ILE 44 HMG ILE 44 15.869 -6.503 -5.553 345 2HG2 ILE 44 HMG ILE 44 15.428 -5.083 -6.537 346 3HG2 ILE 44 HMG ILE 44 14.876 -5.201 -4.846 347 1HD1 ILE 44 HMD ILE 44 12.016 -5.160 -7.424 348 2HD1 ILE 44 HMD ILE 44 13.108 -4.627 -8.731 349 3HD1 ILE 44 HMD ILE 44 12.004 -6.003 -8.995 350 H LYS 45 HN LYS 45 15.263 -7.285 -3.888 351 HA LYS 45 HA LYS 45 17.368 -9.130 -4.267 352 1HB LYS 45 HBS LYS 45 16.745 -7.103 -2.435 353 2HB LYS 45 HBR LYS 45 16.889 -8.592 -1.456 354 1HG LYS 45 HGR LYS 45 19.094 -8.863 -2.986 355 2HG LYS 45 HGS LYS 45 18.962 -7.081 -2.986 356 1HD LYS 45 HDS LYS 45 18.581 -8.201 -0.334 357 2HD LYS 45 HDR LYS 45 20.086 -8.722 -1.038 358 1HE LYS 45 HES LYS 45 19.182 -5.924 -0.462 359 2HE LYS 45 HER LYS 45 20.645 -6.790 0.087 360 1HZ LYS 45 HZC LYS 45 20.750 -6.774 -2.636 361 2HZ LYS 45 HZA LYS 45 20.264 -5.266 -2.242 362 3HZ LYS 45 HZB LYS 45 21.648 -5.867 -1.618 363 H LEU 46 HN LEU 46 14.172 -9.529 -2.972 364 HA LEU 46 HA LEU 46 14.526 -12.029 -1.618 365 1HB LEU 46 HBS LEU 46 12.403 -10.279 -2.560 366 2HB LEU 46 HBR LEU 46 12.008 -11.999 -2.833 367 HG LEU 46 HG LEU 46 12.225 -12.475 -0.483 368 1HD1 LEU 46 HMD LEU 46 13.996 -10.447 -0.410 369 2HD1 LEU 46 HMD LEU 46 12.564 -9.613 0.245 370 3HD1 LEU 46 HMD LEU 46 13.178 -11.084 1.039 371 1HD2 LEU 46 HMD LEU 46 10.084 -11.541 -1.349 372 2HD2 LEU 46 HMD LEU 46 10.371 -11.186 0.373 373 3HD2 LEU 46 HMD LEU 46 10.632 -9.920 -0.852 374 H ALA 47 HN ALA 47 13.282 -11.358 -4.916 375 HA ALA 47 HA ALA 47 13.474 -13.958 -5.871 376 1HB ALA 47 HMB ALA 47 12.333 -11.961 -6.920 377 2HB ALA 47 HMB ALA 47 13.929 -11.494 -7.563 378 3HB ALA 47 HMB ALA 47 13.200 -13.050 -8.035 379 H ARG 48 HN ARG 48 15.987 -11.673 -5.257 380 HA ARG 48 HA ARG 48 17.827 -12.891 -7.198 381 1HB ARG 48 HBS ARG 48 17.595 -10.417 -6.983 382 2HB ARG 48 HBR ARG 48 18.266 -10.539 -5.331 383 1HG ARG 48 HGS ARG 48 20.395 -11.081 -6.096 384 2HG ARG 48 HGR ARG 48 19.796 -11.628 -7.688 385 1HD ARG 48 HDS ARG 48 20.771 -9.606 -8.179 386 2HD ARG 48 HDR ARG 48 19.050 -9.177 -7.979 387 HE ARG 48 HE ARG 48 21.213 -8.633 -6.015 388 1HH1 ARG 48 HH1 ARG 48 17.847 -8.264 -6.998 389 2HH1 ARG 48 HH1 ARG 48 17.614 -6.832 -6.050 390 1HH2 ARG 48 HH2 ARG 48 20.907 -6.688 -4.891 391 2HH2 ARG 48 HH2 ARG 48 19.344 -5.941 -4.858 392 H HIS 49 HN HIS 49 17.323 -12.606 -3.725 393 HA HIS 49 HA HIS 49 19.704 -13.948 -2.855 394 1HB HIS 49 HBS HIS 49 17.360 -12.955 -1.582 395 2HB HIS 49 HBR HIS 49 17.424 -14.710 -1.245 396 HD1 HIS 49 HD1 HIS 49 20.509 -15.079 -0.956 397 HD2 HIS 49 HD2 HIS 49 18.298 -12.005 0.781 398 HE1 HIS 49 HE1 HIS 49 21.766 -14.376 1.095 399 HE2 HIS 49 HE2 HIS 49 20.421 -12.533 2.163 400 H ALA 50 HN ALA 50 16.578 -14.981 -4.133 401 HA ALA 50 HA ALA 50 17.050 -17.824 -4.062 402 1HB ALA 50 HMB ALA 50 14.958 -16.256 -4.759 403 2HB ALA 50 HMB ALA 50 15.625 -16.638 -6.368 404 3HB ALA 50 HMB ALA 50 15.150 -17.954 -5.264 405 H GLY 51 HN GLY 51 17.779 -15.197 -6.362 406 1HA GLY 51 HAR GLY 51 19.115 -15.117 -8.252 407 2HA GLY 51 HAS GLY 51 19.874 -16.648 -7.739 408 H ARG 52 HN ARG 52 16.436 -15.894 -8.341 409 HA ARG 52 HA ARG 52 16.371 -18.193 -10.240 410 1HB ARG 52 HBS ARG 52 15.112 -17.821 -7.635 411 2HB ARG 52 HBR ARG 52 13.914 -18.127 -8.926 412 1HG ARG 52 HGS ARG 52 14.657 -20.191 -7.769 413 2HG ARG 52 HGR ARG 52 15.014 -20.200 -9.519 414 1HD ARG 52 HDS ARG 52 17.187 -19.041 -8.024 415 2HD ARG 52 HDR ARG 52 16.774 -20.663 -7.402 416 HE ARG 52 HE ARG 52 16.856 -20.892 -10.180 417 1HH1 ARG 52 HH1 ARG 52 19.051 -20.320 -7.482 418 2HH1 ARG 52 HH1 ARG 52 20.455 -20.789 -8.381 419 1HH2 ARG 52 HH2 ARG 52 18.728 -21.375 -11.363 420 2HH2 ARG 52 HH2 ARG 52 20.272 -21.388 -10.578 421 H LYS 53 HN LYS 53 13.657 -18.181 -10.706 422 HA LYS 53 HA LYS 53 13.693 -15.976 -12.658 423 1HB LYS 53 HBS LYS 53 13.276 -18.701 -12.883 424 2HB LYS 53 HBR LYS 53 11.620 -18.032 -12.951 425 1HG LYS 53 HGR LYS 53 13.730 -16.734 -14.640 426 2HG LYS 53 HGS LYS 53 13.128 -18.342 -15.138 427 1HD LYS 53 HDS LYS 53 11.088 -16.316 -14.420 428 2HD LYS 53 HDR LYS 53 12.027 -15.996 -15.851 429 1HE LYS 53 HES LYS 53 11.165 -18.755 -15.810 430 2HE LYS 53 HER LYS 53 9.796 -17.619 -15.653 431 1HZ LYS 53 HZB LYS 53 10.643 -16.483 -17.603 432 2HZ LYS 53 HZC LYS 53 11.843 -17.579 -17.762 433 3HZ LYS 53 HZA LYS 53 10.286 -18.042 -17.937 434 H THR 54 HN THR 54 12.489 -14.265 -12.352 435 HA THR 54 HA THR 54 10.630 -12.969 -12.128 436 HB THR 54 HB THR 54 9.241 -15.706 -12.251 437 HG1 THR 54 HG1 THR 54 9.684 -13.646 -13.968 438 1HG2 THR 54 HMG THR 54 8.104 -12.964 -12.095 439 2HG2 THR 54 HMG THR 54 7.384 -14.082 -13.281 440 3HG2 THR 54 HMG THR 54 7.442 -14.529 -11.557 441 H ILE 55 HN ILE 55 8.967 -12.258 -10.681 442 HA ILE 55 HA ILE 55 9.254 -13.331 -7.935 443 HB ILE 55 HB ILE 55 8.095 -10.707 -8.993 444 1HG1 ILE 55 HG1 ILE 55 10.647 -11.292 -7.439 445 2HG1 ILE 55 HG1 ILE 55 10.541 -10.960 -9.191 446 1HG2 ILE 55 HMG ILE 55 7.823 -11.988 -6.386 447 2HG2 ILE 55 HMG ILE 55 8.537 -10.356 -6.294 448 3HG2 ILE 55 HMG ILE 55 6.958 -10.594 -7.087 449 1HD1 ILE 55 HMD ILE 55 9.403 -8.936 -7.314 450 2HD1 ILE 55 HMD ILE 55 11.177 -9.077 -7.428 451 3HD1 ILE 55 HMD ILE 55 10.215 -8.721 -8.888 452 H LYS 56 HN LYS 56 7.543 -14.004 -6.730 453 HA LYS 56 HA LYS 56 4.878 -14.215 -8.036 454 1HB LYS 56 HBR LYS 56 4.751 -16.566 -7.480 455 2HB LYS 56 HBS LYS 56 6.139 -16.256 -8.561 456 1HG LYS 56 HGR LYS 56 7.568 -16.208 -6.419 457 2HG LYS 56 HGS LYS 56 6.151 -16.936 -5.609 458 1HD LYS 56 HDS LYS 56 6.933 -18.266 -8.106 459 2HD LYS 56 HDR LYS 56 8.174 -18.271 -6.883 460 1HE LYS 56 HES LYS 56 5.621 -18.921 -5.705 461 2HE LYS 56 HER LYS 56 6.014 -19.994 -7.078 462 1HZ LYS 56 HZA LYS 56 8.312 -19.733 -5.637 463 2HZ LYS 56 HZB LYS 56 7.148 -19.927 -4.509 464 3HZ LYS 56 HZC LYS 56 7.334 -21.040 -5.689 465 H ALA 57 HN ALA 57 3.616 -15.777 -6.257 466 HA ALA 57 HA ALA 57 2.843 -13.840 -4.396 467 1HB ALA 57 HMB ALA 57 1.727 -16.073 -5.369 468 2HB ALA 57 HMB ALA 57 2.227 -16.679 -3.770 469 3HB ALA 57 HMB ALA 57 1.158 -15.258 -3.890 470 H GLU 58 HN GLU 58 5.019 -16.610 -4.056 471 HA GLU 58 HA GLU 58 5.169 -16.588 -1.155 472 1HB GLU 58 HBS GLU 58 6.187 -17.951 -3.441 473 2HB GLU 58 HBR GLU 58 7.510 -17.581 -2.476 474 1HG GLU 58 HGS GLU 58 6.365 -19.846 -2.126 475 2HG GLU 58 HGR GLU 58 6.613 -18.946 -0.606 476 H ASP 59 HN ASP 59 6.676 -14.891 -3.836 477 HA ASP 59 HA ASP 59 8.748 -13.745 -2.236 478 1HB ASP 59 HBS ASP 59 7.797 -13.422 -5.036 479 2HB ASP 59 HBR ASP 59 8.826 -12.146 -4.325 480 H ILE 60 HN ILE 60 5.737 -12.385 -3.597 481 HA ILE 60 HA ILE 60 6.140 -9.773 -2.581 482 HB ILE 60 HB ILE 60 3.606 -11.258 -3.423 483 1HG1 ILE 60 HG1 ILE 60 5.212 -11.101 -5.194 484 2HG1 ILE 60 HG1 ILE 60 3.889 -9.946 -5.520 485 1HG2 ILE 60 HMG ILE 60 3.476 -9.054 -1.907 486 2HG2 ILE 60 HMG ILE 60 3.666 -8.296 -3.510 487 3HG2 ILE 60 HMG ILE 60 2.315 -9.420 -3.210 488 1HD1 ILE 60 HMD ILE 60 5.396 -8.159 -4.514 489 2HD1 ILE 60 HMD ILE 60 6.710 -9.363 -4.602 490 3HD1 ILE 60 HMD ILE 60 5.889 -8.828 -6.093 491 H GLU 61 HN GLU 61 4.584 -12.652 -1.232 492 HA GLU 61 HA GLU 61 3.550 -11.455 1.173 493 1HB GLU 61 HBR GLU 61 4.362 -14.188 0.233 494 2HB GLU 61 HBS GLU 61 4.141 -13.912 1.873 495 1HG GLU 61 HGS GLU 61 1.905 -13.430 1.797 496 2HG GLU 61 HGR GLU 61 1.886 -13.037 0.056 497 H LEU 62 HN LEU 62 6.593 -13.182 0.378 498 HA LEU 62 HA LEU 62 7.837 -12.877 2.839 499 1HB LEU 62 HBR LEU 62 8.541 -13.545 0.075 500 2HB LEU 62 HBS LEU 62 9.894 -12.823 0.992 501 HG LEU 62 HG LEU 62 9.879 -15.300 0.998 502 1HD1 LEU 62 HMD LEU 62 10.768 -13.823 2.893 503 2HD1 LEU 62 HMD LEU 62 9.280 -14.255 3.772 504 3HD1 LEU 62 HMD LEU 62 10.426 -15.528 3.282 505 1HD2 LEU 62 HMD LEU 62 7.134 -14.740 1.945 506 2HD2 LEU 62 HMD LEU 62 7.789 -16.151 1.076 507 3HD2 LEU 62 HMD LEU 62 8.000 -16.014 2.840 508 H ALA 63 HN ALA 63 8.123 -10.752 -0.027 509 HA ALA 63 HA ALA 63 9.868 -8.908 1.033 510 1HB ALA 63 HMB ALA 63 7.999 -9.038 -1.191 511 2HB ALA 63 HMB ALA 63 8.180 -7.381 -0.561 512 3HB ALA 63 HMB ALA 63 9.616 -8.297 -1.086 513 H VAL 64 HN VAL 64 6.377 -9.128 1.497 514 HA VAL 64 HA VAL 64 6.273 -6.465 2.514 515 HB VAL 64 HB VAL 64 4.655 -8.082 1.115 516 1HG1 VAL 64 HMG VAL 64 3.420 -8.078 3.880 517 2HG1 VAL 64 HMG VAL 64 2.510 -8.348 2.375 518 3HG1 VAL 64 HMG VAL 64 3.811 -9.470 2.842 519 1HG2 VAL 64 HMG VAL 64 4.722 -5.466 1.770 520 2HG2 VAL 64 HMG VAL 64 3.456 -6.236 0.783 521 3HG2 VAL 64 HMG VAL 64 3.176 -5.940 2.516 522 H ARG 65 HN ARG 65 5.241 -9.550 4.024 523 HA ARG 65 HA ARG 65 5.144 -8.587 6.675 524 1HB ARG 65 HBR ARG 65 5.203 -11.220 5.349 525 2HB ARG 65 HBS ARG 65 5.898 -11.198 6.995 526 1HG ARG 65 HGS ARG 65 3.868 -10.529 7.969 527 2HG ARG 65 HGR ARG 65 3.184 -10.007 6.403 528 1HD ARG 65 HDS ARG 65 2.318 -12.001 6.073 529 2HD ARG 65 HDR ARG 65 3.924 -12.762 6.250 530 HE ARG 65 HE ARG 65 2.745 -12.094 8.796 531 1HH1 ARG 65 HH1 ARG 65 3.057 -14.553 6.289 532 2HH1 ARG 65 HH1 ARG 65 2.412 -15.810 7.290 533 1HH2 ARG 65 HH2 ARG 65 1.789 -13.735 10.032 534 2HH2 ARG 65 HH2 ARG 65 1.698 -15.350 9.409 535 H ARG 66 HN ARG 66 7.817 -9.186 4.611 536 HA ARG 66 HA ARG 66 9.874 -9.494 6.636 537 1HB ARG 66 HBR ARG 66 10.325 -10.093 4.319 538 2HB ARG 66 HBS ARG 66 9.996 -8.416 3.798 539 1HG ARG 66 HGS ARG 66 12.365 -8.717 3.842 540 2HG ARG 66 HGR ARG 66 11.926 -7.684 5.232 541 1HD ARG 66 HDS ARG 66 11.965 -9.686 6.671 542 2HD ARG 66 HDR ARG 66 12.530 -10.641 5.272 543 HE ARG 66 HE ARG 66 14.638 -9.867 5.728 544 1HH1 ARG 66 HH1 ARG 66 12.338 -7.609 7.158 545 2HH1 ARG 66 HH1 ARG 66 13.572 -6.496 7.649 546 1HH2 ARG 66 HH2 ARG 66 16.209 -8.324 6.265 547 2HH2 ARG 66 HH2 ARG 66 15.760 -6.894 7.133 548 H PHE 67 HN PHE 67 9.351 -6.730 4.435 549 HA PHE 67 HA PHE 67 11.080 -5.212 5.968 550 1HB PHE 67 HBS PHE 67 10.696 -3.333 4.557 551 2HB PHE 67 HBR PHE 67 10.556 -4.787 3.533 552 HD1 PHE 67 HD1 PHE 67 7.945 -5.726 3.932 553 HD2 PHE 67 HD2 PHE 67 9.233 -1.673 3.670 554 HE1 PHE 67 HE1 PHE 67 5.637 -5.046 3.448 555 HE2 PHE 67 HE2 PHE 67 6.930 -0.974 3.101 556 HZ PHE 67 HZ PHE 67 5.122 -2.667 3.053 557 H LYS 68 HN LYS 68 7.624 -5.524 6.254 558 HA LYS 68 HA LYS 68 7.007 -3.363 7.882 559 1HB LYS 68 HBR LYS 68 5.219 -4.697 8.819 560 2HB LYS 68 HBS LYS 68 5.350 -4.975 7.058 561 1HG LYS 68 HGR LYS 68 6.037 -7.161 7.312 562 2HG LYS 68 HGS LYS 68 6.771 -6.859 8.913 563 1HD LYS 68 HDS LYS 68 3.795 -6.846 8.437 564 2HD LYS 68 HDR LYS 68 4.692 -8.294 8.804 565 1HE LYS 68 HES LYS 68 4.438 -7.859 10.950 566 2HE LYS 68 HER LYS 68 5.542 -6.474 10.721 567 1HZ LYS 68 HZC LYS 68 3.432 -5.291 9.992 568 2HZ LYS 68 HZA LYS 68 2.623 -6.494 10.744 569 3HZ LYS 68 HZB LYS 68 3.651 -5.548 11.589 570 H LYS 69 HN LYS 69 8.735 -6.334 8.660 571 HA LYS 69 HA LYS 69 9.890 -7.027 10.505 572 1HB LYS 69 HBR LYS 69 11.270 -5.388 11.527 573 2HB LYS 69 HBS LYS 69 11.121 -5.004 9.789 574 1HG LYS 69 HGR LYS 69 9.768 -3.113 10.205 575 2HG LYS 69 HGS LYS 69 9.407 -3.628 11.877 576 1HD LYS 69 HDS LYS 69 12.049 -2.622 10.821 577 2HD LYS 69 HDR LYS 69 10.920 -1.758 11.828 578 1HE LYS 69 HES LYS 69 11.742 -2.626 13.685 579 2HE LYS 69 HER LYS 69 11.566 -4.281 13.037 580 1HZ LYS 69 HZA LYS 69 13.746 -2.694 12.009 581 2HZ LYS 69 HZB LYS 69 13.887 -3.205 13.555 582 3HZ LYS 69 HZC LYS 69 13.683 -4.290 12.351 583 1H MET 1 HNC MET 1 -11.380 -2.121 -4.082 584 2H MET 1 HNB MET 1 -10.832 -3.196 -2.981 585 3H MET 1 HN MET 1 -10.099 -1.744 -3.142 586 HA MET 1 HA MET 1 -8.630 -2.892 -4.292 587 1HB MET 1 HBS MET 1 -9.339 -4.923 -5.642 588 2HB MET 1 HBR MET 1 -9.488 -5.048 -3.866 589 1HG MET 1 HGS MET 1 -11.935 -4.370 -4.143 590 2HG MET 1 HGR MET 1 -11.696 -4.569 -5.896 591 1HE MET 1 HME MET 1 -12.668 -6.137 -6.731 592 2HE MET 1 HME MET 1 -11.947 -7.765 -6.798 593 3HE MET 1 HME MET 1 -13.445 -7.491 -5.872 594 H GLU 2 HN GLU 2 -7.891 -1.791 -5.940 595 HA GLU 2 HA GLU 2 -9.036 -1.901 -8.500 596 1HB GLU 2 HBR GLU 2 -10.455 -0.155 -7.060 597 2HB GLU 2 HBS GLU 2 -9.144 0.843 -7.378 598 1HG GLU 2 HGS GLU 2 -9.520 1.158 -9.555 599 2HG GLU 2 HGR GLU 2 -10.193 -0.468 -9.848 600 H LEU 3 HN LEU 3 -6.552 -2.233 -7.059 601 HA LEU 3 HA LEU 3 -4.806 -0.307 -8.434 602 1HB LEU 3 HBR LEU 3 -3.752 -2.692 -6.998 603 2HB LEU 3 HBS LEU 3 -3.186 -1.000 -7.001 604 HG LEU 3 HG LEU 3 -5.456 -2.182 -5.383 605 1HD1 LEU 3 HMD LEU 3 -3.009 -2.515 -4.706 606 2HD1 LEU 3 HMD LEU 3 -2.965 -0.754 -4.439 607 3HD1 LEU 3 HMD LEU 3 -4.094 -1.770 -3.506 608 1HD2 LEU 3 HMD LEU 3 -5.581 0.252 -6.440 609 2HD2 LEU 3 HMD LEU 3 -6.091 -0.069 -4.764 610 3HD2 LEU 3 HMD LEU 3 -4.484 0.632 -5.087 611 HA PRO 4 HA PRO 4 -4.504 -3.026 -11.971 612 1HB PRO 4 HBR PRO 4 -3.425 -1.060 -13.431 613 2HB PRO 4 HBS PRO 4 -5.013 -1.480 -13.457 614 1HG PRO 4 HGS PRO 4 -3.831 0.755 -12.273 615 2HG PRO 4 HGR PRO 4 -5.421 0.541 -12.732 616 1HD PRO 4 HDS PRO 4 -4.515 0.451 -10.206 617 2HD PRO 4 HDR PRO 4 -5.994 -0.089 -10.712 618 H ILE 5 HN ILE 5 -2.901 -4.238 -12.710 619 HA ILE 5 HA ILE 5 -0.653 -4.246 -10.933 620 HB ILE 5 HB ILE 5 0.040 -6.254 -12.322 621 1HG1 ILE 5 HG1 ILE 5 -2.512 -5.587 -13.837 622 2HG1 ILE 5 HG1 ILE 5 -0.842 -5.511 -14.465 623 1HG2 ILE 5 HMG ILE 5 -1.749 -6.152 -10.368 624 2HG2 ILE 5 HMG ILE 5 -2.831 -6.707 -11.672 625 3HG2 ILE 5 HMG ILE 5 -1.385 -7.660 -11.247 626 1HD1 ILE 5 HMD ILE 5 -1.852 -8.115 -13.392 627 2HD1 ILE 5 HMD ILE 5 -2.421 -7.561 -14.988 628 3HD1 ILE 5 HMD ILE 5 -0.677 -7.785 -14.693 629 H ALA 6 HN ALA 6 -1.251 -2.749 -13.947 630 HA ALA 6 HA ALA 6 1.411 -2.685 -14.955 631 1HB ALA 6 HMB ALA 6 -1.160 -1.716 -15.698 632 2HB ALA 6 HMB ALA 6 -0.026 -0.343 -15.727 633 3HB ALA 6 HMB ALA 6 0.325 -1.809 -16.678 634 HA PRO 7 HA PRO 7 1.626 1.714 -12.896 635 1HB PRO 7 HBR PRO 7 -0.222 2.094 -10.989 636 2HB PRO 7 HBS PRO 7 -0.245 2.804 -12.470 637 1HG PRO 7 HGS PRO 7 -1.831 0.711 -11.527 638 2HG PRO 7 HGR PRO 7 -2.128 1.748 -12.800 639 1HD PRO 7 HDS PRO 7 -1.348 -0.806 -13.047 640 2HD PRO 7 HDR PRO 7 -1.288 0.328 -14.249 641 H ILE 8 HN ILE 8 0.263 -0.634 -10.725 642 HA ILE 8 HA ILE 8 2.187 -0.459 -8.707 643 HB ILE 8 HB ILE 8 0.623 -2.885 -9.717 644 1HG1 ILE 8 HG1 ILE 8 0.075 -0.774 -7.606 645 2HG1 ILE 8 HG1 ILE 8 -0.848 -1.109 -9.098 646 1HG2 ILE 8 HMG ILE 8 2.600 -3.517 -8.338 647 2HG2 ILE 8 HMG ILE 8 1.912 -2.559 -7.001 648 3HG2 ILE 8 HMG ILE 8 1.029 -3.975 -7.630 649 1HD1 ILE 8 HMD ILE 8 -0.626 -3.367 -7.195 650 2HD1 ILE 8 HMD ILE 8 -1.572 -1.962 -6.632 651 3HD1 ILE 8 HMD ILE 8 -2.018 -2.789 -8.149 652 H GLY 9 HN GLY 9 2.194 -2.478 -11.655 653 1HA GLY 9 HAR GLY 9 4.472 -3.933 -11.134 654 2HA GLY 9 HAS GLY 9 3.902 -3.548 -12.779 655 H ARG 10 HN ARG 10 4.239 -0.804 -12.850 656 HA ARG 10 HA ARG 10 7.027 -0.667 -13.398 657 1HB ARG 10 HBR ARG 10 6.617 1.552 -14.202 658 2HB ARG 10 HBS ARG 10 5.281 0.484 -14.720 659 1HG ARG 10 HGS ARG 10 3.728 1.559 -13.420 660 2HG ARG 10 HGR ARG 10 4.935 2.078 -12.209 661 1HD ARG 10 HDS ARG 10 5.093 4.043 -13.180 662 2HD ARG 10 HDR ARG 10 5.590 3.264 -14.709 663 HE ARG 10 HE ARG 10 2.708 3.481 -14.056 664 1HH1 ARG 10 HH1 ARG 10 5.455 4.660 -15.925 665 2HH1 ARG 10 HH1 ARG 10 4.463 5.246 -17.218 666 1HH2 ARG 10 HH2 ARG 10 1.454 4.139 -15.827 667 2HH2 ARG 10 HH2 ARG 10 2.199 4.952 -17.164 668 H ILE 11 HN ILE 11 5.075 0.330 -10.677 669 HA ILE 11 HA ILE 11 7.063 1.925 -9.362 670 HB ILE 11 HB ILE 11 4.743 0.266 -8.262 671 1HG1 ILE 11 HG1 ILE 11 4.876 3.274 -8.621 672 2HG1 ILE 11 HG1 ILE 11 4.335 2.177 -9.924 673 1HG2 ILE 11 HMG ILE 11 6.571 2.230 -6.891 674 2HG2 ILE 11 HMG ILE 11 4.935 1.858 -6.288 675 3HG2 ILE 11 HMG ILE 11 6.155 0.563 -6.414 676 1HD1 ILE 11 HMD ILE 11 3.067 2.297 -7.175 677 2HD1 ILE 11 HMD ILE 11 2.490 3.219 -8.590 678 3HD1 ILE 11 HMD ILE 11 2.469 1.436 -8.618 679 H ILE 12 HN ILE 12 6.340 -1.544 -9.474 680 HA ILE 12 HA ILE 12 8.476 -2.393 -7.702 681 HB ILE 12 HB ILE 12 7.261 -3.941 -10.032 682 1HG1 ILE 12 HG1 ILE 12 5.578 -2.797 -8.432 683 2HG1 ILE 12 HG1 ILE 12 5.361 -4.514 -8.860 684 1HG2 ILE 12 HMG ILE 12 9.255 -4.597 -8.222 685 2HG2 ILE 12 HMG ILE 12 7.812 -5.468 -7.626 686 3HG2 ILE 12 HMG ILE 12 8.368 -5.695 -9.300 687 1HD1 ILE 12 HMD ILE 12 6.899 -4.451 -6.469 688 2HD1 ILE 12 HMD ILE 12 5.560 -3.290 -6.280 689 3HD1 ILE 12 HMD ILE 12 5.217 -4.986 -6.708 690 H LYS 13 HN LYS 13 8.098 -1.506 -11.089 691 HA LYS 13 HA LYS 13 10.643 -2.557 -12.023 692 1HB LYS 13 HBR LYS 13 8.786 -0.416 -13.114 693 2HB LYS 13 HBS LYS 13 10.273 -0.985 -13.922 694 1HG LYS 13 HGR LYS 13 9.288 -3.293 -13.969 695 2HG LYS 13 HGS LYS 13 7.768 -2.604 -13.329 696 1HD LYS 13 HDS LYS 13 7.680 -2.919 -15.740 697 2HD LYS 13 HDR LYS 13 7.446 -1.269 -15.235 698 1HE LYS 13 HES LYS 13 8.833 -1.326 -17.200 699 2HE LYS 13 HER LYS 13 9.752 -0.724 -15.791 700 1HZ LYS 13 HZC LYS 13 9.856 -3.559 -16.370 701 2HZ LYS 13 HZA LYS 13 10.692 -2.560 -17.357 702 3HZ LYS 13 HZB LYS 13 11.007 -2.576 -15.754 703 H ASP 14 HN ASP 14 9.378 0.549 -10.814 704 HA ASP 14 HA ASP 14 11.661 2.007 -10.883 705 1HB ASP 14 HBS ASP 14 9.349 2.723 -10.184 706 2HB ASP 14 HBR ASP 14 9.777 2.153 -8.545 707 H ALA 15 HN ALA 15 10.753 -0.363 -8.426 708 HA ALA 15 HA ALA 15 13.004 -0.363 -6.830 709 1HB ALA 15 HMB ALA 15 10.842 -1.971 -7.104 710 2HB ALA 15 HMB ALA 15 12.125 -3.037 -7.731 711 3HB ALA 15 HMB ALA 15 12.257 -2.353 -6.091 712 H GLY 16 HN GLY 16 12.618 -1.910 -10.017 713 1HA GLY 16 HAR GLY 16 14.732 -2.084 -11.343 714 2HA GLY 16 HAS GLY 16 15.473 -2.807 -9.891 715 H ALA 17 HN ALA 17 12.169 -3.609 -10.389 716 HA ALA 17 HA ALA 17 12.633 -6.330 -10.829 717 1HB ALA 17 HMB ALA 17 10.337 -4.499 -10.749 718 2HB ALA 17 HMB ALA 17 10.085 -5.946 -11.756 719 3HB ALA 17 HMB ALA 17 10.548 -6.123 -10.045 720 H GLU 18 HN GLU 18 11.106 -7.324 -12.758 721 HA GLU 18 HA GLU 18 11.283 -5.840 -15.247 722 1HB GLU 18 HBR GLU 18 12.744 -8.464 -14.877 723 2HB GLU 18 HBS GLU 18 12.266 -7.854 -16.366 724 1HG GLU 18 HGS GLU 18 14.219 -6.860 -16.546 725 2HG GLU 18 HGR GLU 18 13.585 -5.610 -15.442 726 H ARG 19 HN ARG 19 10.656 -8.962 -13.631 727 HA ARG 19 HA ARG 19 7.949 -8.969 -14.874 728 1HB ARG 19 HBR ARG 19 10.092 -10.759 -15.435 729 2HB ARG 19 HBS ARG 19 8.879 -11.646 -14.468 730 1HG ARG 19 HGS ARG 19 7.178 -10.621 -16.174 731 2HG ARG 19 HGR ARG 19 8.626 -10.407 -17.199 732 1HD ARG 19 HDS ARG 19 8.846 -12.596 -17.577 733 2HD ARG 19 HDR ARG 19 8.365 -13.040 -15.916 734 HE ARG 19 HE ARG 19 6.082 -12.986 -16.587 735 1HH1 ARG 19 HH1 ARG 19 8.197 -12.039 -19.245 736 2HH1 ARG 19 HH1 ARG 19 7.044 -12.478 -20.462 737 1HH2 ARG 19 HH2 ARG 19 4.653 -13.667 -18.209 738 2HH2 ARG 19 HH2 ARG 19 5.037 -13.397 -19.876 739 H VAL 20 HN VAL 20 6.733 -8.522 -13.160 740 HA VAL 20 HA VAL 20 6.958 -10.326 -10.808 741 HB VAL 20 HB VAL 20 5.230 -7.861 -11.034 742 1HG1 VAL 20 HMG VAL 20 6.083 -9.617 -8.733 743 2HG1 VAL 20 HMG VAL 20 5.463 -7.966 -8.496 744 3HG1 VAL 20 HMG VAL 20 4.440 -9.197 -9.273 745 1HG2 VAL 20 HMG VAL 20 7.786 -7.499 -11.296 746 2HG2 VAL 20 HMG VAL 20 6.865 -6.493 -10.153 747 3HG2 VAL 20 HMG VAL 20 7.840 -7.856 -9.553 748 H SER 21 HN SER 21 5.979 -12.146 -11.272 749 HA SER 21 HA SER 21 4.192 -12.442 -13.410 750 1HB SER 21 HBS SER 21 5.578 -14.257 -12.637 751 2HB SER 21 HBR SER 21 4.705 -14.313 -11.079 752 HG SER 21 HG SER 21 3.906 -14.949 -13.784 753 H ASP 22 HN ASP 22 2.068 -13.798 -13.005 754 HA ASP 22 HA ASP 22 0.244 -11.808 -12.286 755 1HB ASP 22 HBS ASP 22 -0.417 -14.733 -12.595 756 2HB ASP 22 HBR ASP 22 -1.494 -13.323 -12.811 757 H ASP 23 HN ASP 23 1.371 -14.621 -10.471 758 HA ASP 23 HA ASP 23 -0.263 -14.314 -8.231 759 1HB ASP 23 HBS ASP 23 2.431 -15.523 -8.668 760 2HB ASP 23 HBR ASP 23 1.795 -15.333 -7.009 761 H ALA 24 HN ALA 24 3.067 -13.048 -8.600 762 HA ALA 24 HA ALA 24 3.098 -11.709 -6.172 763 1HB ALA 24 HMB ALA 24 4.624 -11.291 -8.740 764 2HB ALA 24 HMB ALA 24 4.935 -10.318 -7.279 765 3HB ALA 24 HMB ALA 24 5.145 -12.087 -7.233 766 H ARG 25 HN ARG 25 2.347 -10.383 -9.409 767 HA ARG 25 HA ARG 25 2.050 -7.739 -8.663 768 1HB ARG 25 HBR ARG 25 0.710 -7.423 -10.677 769 2HB ARG 25 HBS ARG 25 2.138 -8.451 -10.986 770 1HG ARG 25 HGS ARG 25 0.660 -10.452 -10.869 771 2HG ARG 25 HGR ARG 25 -0.745 -9.361 -10.704 772 1HD ARG 25 HDS ARG 25 -0.785 -9.678 -12.940 773 2HD ARG 25 HDR ARG 25 0.318 -8.274 -12.865 774 HE ARG 25 HE ARG 25 2.066 -10.314 -12.766 775 1HH1 ARG 25 HH1 ARG 25 -0.594 -9.564 -14.956 776 2HH1 ARG 25 HH1 ARG 25 0.041 -10.543 -16.236 777 1HH2 ARG 25 HH2 ARG 25 2.782 -11.705 -14.406 778 2HH2 ARG 25 HH2 ARG 25 1.946 -11.762 -15.923 779 H ILE 26 HN ILE 26 -0.429 -10.298 -8.722 780 HA ILE 26 HA ILE 26 -2.526 -8.636 -7.780 781 HB ILE 26 HB ILE 26 -2.175 -11.672 -7.722 782 1HG1 ILE 26 HG1 ILE 26 -3.863 -10.072 -9.658 783 2HG1 ILE 26 HG1 ILE 26 -2.111 -10.304 -9.922 784 1HG2 ILE 26 HMG ILE 26 -4.598 -9.974 -7.144 785 2HG2 ILE 26 HMG ILE 26 -4.716 -11.673 -7.673 786 3HG2 ILE 26 HMG ILE 26 -3.874 -11.269 -6.154 787 1HD1 ILE 26 HMD ILE 26 -3.321 -12.841 -9.337 788 2HD1 ILE 26 HMD ILE 26 -4.240 -12.030 -10.633 789 3HD1 ILE 26 HMD ILE 26 -2.486 -12.300 -10.818 790 H THR 27 HN THR 27 -0.082 -10.579 -6.149 791 HA THR 27 HA THR 27 -1.346 -10.816 -3.628 792 HB THR 27 HB THR 27 1.632 -10.828 -4.373 793 HG1 THR 27 HG1 THR 27 -0.243 -12.685 -3.732 794 1HG2 THR 27 HMG THR 27 1.386 -10.353 -1.983 795 2HG2 THR 27 HMG THR 27 0.371 -11.807 -1.798 796 3HG2 THR 27 HMG THR 27 2.080 -11.968 -2.279 797 H LEU 28 HN LEU 28 1.264 -8.577 -4.645 798 HA LEU 28 HA LEU 28 1.165 -6.856 -2.472 799 1HB LEU 28 HBR LEU 28 2.575 -7.122 -4.771 800 2HB LEU 28 HBS LEU 28 1.614 -5.670 -5.154 801 HG LEU 28 HG LEU 28 2.639 -4.388 -3.503 802 1HD1 LEU 28 HMD LEU 28 2.532 -6.019 -1.654 803 2HD1 LEU 28 HMD LEU 28 3.892 -6.915 -2.380 804 3HD1 LEU 28 HMD LEU 28 4.132 -5.252 -1.791 805 1HD2 LEU 28 HMD LEU 28 4.587 -6.289 -4.821 806 2HD2 LEU 28 HMD LEU 28 4.077 -4.665 -5.353 807 3HD2 LEU 28 HMD LEU 28 5.104 -4.849 -3.906 808 H ALA 29 HN ALA 29 -0.577 -6.545 -5.580 809 HA ALA 29 HA ALA 29 -1.914 -4.200 -5.043 810 1HB ALA 29 HMB ALA 29 -2.610 -6.589 -6.739 811 2HB ALA 29 HMB ALA 29 -3.683 -5.170 -6.647 812 3HB ALA 29 HMB ALA 29 -2.010 -4.985 -7.229 813 H LYS 30 HN LYS 30 -2.865 -7.498 -4.147 814 HA LYS 30 HA LYS 30 -5.258 -6.623 -2.808 815 1HB LYS 30 HBR LYS 30 -3.724 -9.238 -2.781 816 2HB LYS 30 HBS LYS 30 -5.250 -8.964 -1.892 817 1HG LYS 30 HGR LYS 30 -6.371 -8.436 -4.052 818 2HG LYS 30 HGS LYS 30 -4.849 -8.822 -4.906 819 1HD LYS 30 HDS LYS 30 -5.922 -10.795 -5.137 820 2HD LYS 30 HDR LYS 30 -4.993 -11.075 -3.690 821 1HE LYS 30 HES LYS 30 -6.917 -10.640 -2.283 822 2HE LYS 30 HER LYS 30 -7.886 -10.257 -3.734 823 1HZ LYS 30 HZB LYS 30 -6.939 -12.661 -4.316 824 2HZ LYS 30 HZC LYS 30 -7.086 -12.804 -2.696 825 3HZ LYS 30 HZA LYS 30 -8.385 -12.404 -3.601 826 H ILE 31 HN ILE 31 -1.919 -6.955 -1.921 827 HA ILE 31 HA ILE 31 -2.250 -6.828 0.963 828 HB ILE 31 HB ILE 31 0.026 -6.159 -0.959 829 1HG1 ILE 31 HG1 ILE 31 -0.033 -8.334 1.139 830 2HG1 ILE 31 HG1 ILE 31 -0.818 -8.555 -0.451 831 1HG2 ILE 31 HMG ILE 31 -0.163 -5.656 1.974 832 2HG2 ILE 31 HMG ILE 31 1.374 -6.275 1.310 833 3HG2 ILE 31 HMG ILE 31 0.687 -4.748 0.696 834 1HD1 ILE 31 HMD ILE 31 2.076 -7.729 -0.195 835 2HD1 ILE 31 HMD ILE 31 1.569 -9.439 -0.170 836 3HD1 ILE 31 HMD ILE 31 1.230 -8.430 -1.600 837 H LEU 32 HN LEU 32 -0.901 -4.336 -1.198 838 HA LEU 32 HA LEU 32 -1.194 -2.330 0.599 839 1HB LEU 32 HBR LEU 32 -0.992 -2.367 -2.409 840 2HB LEU 32 HBS LEU 32 -1.006 -0.831 -1.497 841 HG LEU 32 HG LEU 32 0.970 -1.976 -0.181 842 1HD1 LEU 32 HMD LEU 32 0.819 -3.461 -2.808 843 2HD1 LEU 32 HMD LEU 32 2.368 -3.198 -1.965 844 3HD1 LEU 32 HMD LEU 32 1.061 -4.108 -1.166 845 1HD2 LEU 32 HMD LEU 32 0.821 -0.508 -2.781 846 2HD2 LEU 32 HMD LEU 32 1.467 0.012 -1.203 847 3HD2 LEU 32 HMD LEU 32 2.416 -1.089 -2.234 848 H GLU 33 HN GLU 33 -3.653 -3.507 -1.583 849 HA GLU 33 HA GLU 33 -5.608 -1.490 -1.164 850 1HB GLU 33 HBR GLU 33 -5.680 -3.300 -2.824 851 2HB GLU 33 HBS GLU 33 -5.703 -4.442 -1.594 852 1HG GLU 33 HGS GLU 33 -7.855 -2.998 -0.822 853 2HG GLU 33 HGR GLU 33 -8.033 -2.883 -2.593 854 H GLU 34 HN GLU 34 -5.291 -4.679 0.468 855 HA GLU 34 HA GLU 34 -7.167 -4.159 2.489 856 1HB GLU 34 HBR GLU 34 -5.412 -6.191 1.662 857 2HB GLU 34 HBS GLU 34 -4.895 -5.806 3.210 858 1HG GLU 34 HGS GLU 34 -6.457 -6.961 4.199 859 2HG GLU 34 HGR GLU 34 -7.748 -5.977 3.459 860 H MET 35 HN MET 35 -3.643 -3.649 2.409 861 HA MET 35 HA MET 35 -3.357 -2.491 4.994 862 1HB MET 35 HBS MET 35 -1.635 -3.156 3.023 863 2HB MET 35 HBR MET 35 -1.716 -1.386 2.789 864 1HG MET 35 HGS MET 35 -1.238 -1.105 5.249 865 2HG MET 35 HGR MET 35 -1.021 -2.869 5.354 866 1HE MET 35 HME MET 35 0.131 0.456 3.716 867 2HE MET 35 HME MET 35 1.528 -0.013 2.714 868 3HE MET 35 HME MET 35 -0.114 -0.523 2.247 869 H GLY 36 HN GLY 36 -4.540 -1.281 1.910 870 1HA GLY 36 HAR GLY 36 -4.570 1.472 2.613 871 2HA GLY 36 HAS GLY 36 -5.502 0.712 1.294 872 H ARG 37 HN ARG 37 -7.137 -1.026 2.615 873 HA ARG 37 HA ARG 37 -9.140 0.503 3.975 874 1HB ARG 37 HBR ARG 37 -8.801 -2.177 3.054 875 2HB ARG 37 HBS ARG 37 -9.234 -2.234 4.787 876 1HG ARG 37 HGS ARG 37 -11.355 -1.635 4.388 877 2HG ARG 37 HGR ARG 37 -10.871 -0.348 3.247 878 1HD ARG 37 HDS ARG 37 -11.440 -1.606 1.537 879 2HD ARG 37 HDR ARG 37 -10.327 -2.893 2.078 880 HE ARG 37 HE ARG 37 -13.191 -2.876 2.314 881 1HH1 ARG 37 HH1 ARG 37 -10.332 -3.768 4.175 882 2HH1 ARG 37 HH1 ARG 37 -11.089 -5.156 4.879 883 1HH2 ARG 37 HH2 ARG 37 -14.106 -4.772 3.157 884 2HH2 ARG 37 HH2 ARG 37 -13.226 -5.723 4.307 885 H ASP 38 HN ASP 38 -6.097 -0.770 4.915 886 HA ASP 38 HA ASP 38 -6.835 -1.081 7.687 887 1HB ASP 38 HBS ASP 38 -4.812 -2.068 5.967 888 2HB ASP 38 HBR ASP 38 -4.024 -1.274 7.361 889 H ILE 39 HN ILE 39 -4.629 1.076 5.897 890 HA ILE 39 HA ILE 39 -4.077 2.830 8.123 891 HB ILE 39 HB ILE 39 -4.055 3.523 5.149 892 1HG1 ILE 39 HG1 ILE 39 -1.633 2.457 6.597 893 2HG1 ILE 39 HG1 ILE 39 -2.848 1.331 5.926 894 1HG2 ILE 39 HMG ILE 39 -2.516 4.611 7.514 895 2HG2 ILE 39 HMG ILE 39 -2.183 5.018 5.811 896 3HG2 ILE 39 HMG ILE 39 -3.752 5.451 6.540 897 1HD1 ILE 39 HMD ILE 39 -1.427 3.466 4.311 898 2HD1 ILE 39 HMD ILE 39 -0.895 1.767 4.428 899 3HD1 ILE 39 HMD ILE 39 -2.477 2.157 3.702 900 H ALA 40 HN ALA 40 -6.787 2.210 6.102 901 HA ALA 40 HA ALA 40 -8.122 4.776 6.316 902 1HB ALA 40 HMB ALA 40 -8.617 2.893 4.674 903 2HB ALA 40 HMB ALA 40 -9.421 2.066 6.031 904 3HB ALA 40 HMB ALA 40 -10.009 3.656 5.484 905 H SER 41 HN SER 41 -9.105 1.661 7.757 906 HA SER 41 HA SER 41 -10.658 2.827 9.736 907 1HB SER 41 HBS SER 41 -10.705 0.651 10.827 908 2HB SER 41 HBR SER 41 -10.910 0.508 9.058 909 HG SER 41 HG SER 41 -8.801 -0.214 10.854 910 H GLU 42 HN GLU 42 -7.252 2.562 9.603 911 HA GLU 42 HA GLU 42 -6.786 2.993 12.451 912 1HB GLU 42 HBR GLU 42 -5.293 2.696 9.947 913 2HB GLU 42 HBS GLU 42 -4.694 3.947 10.890 914 1HG GLU 42 HGS GLU 42 -3.628 1.697 11.290 915 2HG GLU 42 HGR GLU 42 -4.075 2.611 12.756 916 H ALA 43 HN ALA 43 -6.342 5.044 9.528 917 HA ALA 43 HA ALA 43 -6.226 7.507 10.853 918 1HB ALA 43 HMB ALA 43 -5.834 6.808 8.356 919 2HB ALA 43 HMB ALA 43 -7.539 7.290 8.169 920 3HB ALA 43 HMB ALA 43 -6.344 8.464 8.774 921 H ILE 44 HN ILE 44 -8.890 5.394 10.374 922 HA ILE 44 HA ILE 44 -10.881 7.478 10.752 923 HB ILE 44 HB ILE 44 -11.026 4.445 10.430 924 1HG1 ILE 44 HG1 ILE 44 -11.912 6.620 8.508 925 2HG1 ILE 44 HG1 ILE 44 -10.254 5.957 8.532 926 1HG2 ILE 44 HMG ILE 44 -13.328 6.404 10.578 927 2HG2 ILE 44 HMG ILE 44 -13.445 4.700 10.064 928 3HG2 ILE 44 HMG ILE 44 -12.953 5.097 11.732 929 1HD1 ILE 44 HMD ILE 44 -11.145 3.723 8.042 930 2HD1 ILE 44 HMD ILE 44 -12.800 4.388 8.017 931 3HD1 ILE 44 HMD ILE 44 -11.611 4.906 6.791 932 H LYS 45 HN LYS 45 -9.995 4.491 12.533 933 HA LYS 45 HA LYS 45 -11.302 5.078 14.937 934 1HB LYS 45 HBR LYS 45 -10.066 2.937 14.240 935 2HB LYS 45 HBS LYS 45 -8.590 3.748 14.837 936 1HG LYS 45 HGR LYS 45 -9.224 2.560 16.713 937 2HG LYS 45 HGS LYS 45 -10.046 4.118 17.010 938 1HD LYS 45 HDS LYS 45 -11.964 2.840 15.619 939 2HD LYS 45 HDR LYS 45 -11.159 1.465 16.324 940 1HE LYS 45 HES LYS 45 -12.954 2.118 17.760 941 2HE LYS 45 HER LYS 45 -11.390 2.450 18.558 942 1HZ LYS 45 HZA LYS 45 -12.965 4.470 17.119 943 2HZ LYS 45 HZB LYS 45 -13.012 4.256 18.737 944 3HZ LYS 45 HZC LYS 45 -11.624 4.726 18.015 945 H LEU 46 HN LEU 46 -8.207 6.209 13.674 946 HA LEU 46 HA LEU 46 -7.300 7.639 15.967 947 1HB LEU 46 HBR LEU 46 -6.944 7.995 12.981 948 2HB LEU 46 HBS LEU 46 -6.092 8.975 14.208 949 HG LEU 46 HG LEU 46 -5.877 5.974 14.207 950 1HD1 LEU 46 HMD LEU 46 -4.970 7.757 12.125 951 2HD1 LEU 46 HMD LEU 46 -3.577 7.071 12.998 952 3HD1 LEU 46 HMD LEU 46 -4.788 5.990 12.263 953 1HD2 LEU 46 HMD LEU 46 -4.490 8.362 15.359 954 2HD2 LEU 46 HMD LEU 46 -4.919 6.808 16.117 955 3HD2 LEU 46 HMD LEU 46 -3.525 6.905 15.012 956 H ALA 47 HN ALA 47 -9.196 8.714 13.119 957 HA ALA 47 HA ALA 47 -9.520 11.341 13.925 958 1HB ALA 47 HMB ALA 47 -10.527 9.617 11.877 959 2HB ALA 47 HMB ALA 47 -11.868 10.597 12.520 960 3HB ALA 47 HMB ALA 47 -10.400 11.393 11.899 961 H ARG 48 HN ARG 48 -11.606 8.540 14.607 962 HA ARG 48 HA ARG 48 -13.635 9.850 15.991 963 1HB ARG 48 HBR ARG 48 -13.262 7.312 15.329 964 2HB ARG 48 HBS ARG 48 -12.683 7.202 17.017 965 1HG ARG 48 HGS ARG 48 -15.417 8.148 16.096 966 2HG ARG 48 HGR ARG 48 -15.035 6.589 16.877 967 1HD ARG 48 HDS ARG 48 -14.695 9.338 18.078 968 2HD ARG 48 HDR ARG 48 -15.982 8.159 18.460 969 HE ARG 48 HE ARG 48 -13.276 8.169 19.469 970 1HH1 ARG 48 HH1 ARG 48 -16.165 6.231 18.897 971 2HH1 ARG 48 HH1 ARG 48 -15.627 4.933 19.907 972 1HH2 ARG 48 HH2 ARG 48 -12.548 6.395 20.678 973 2HH2 ARG 48 HH2 ARG 48 -13.580 5.025 20.918 974 H HIS 49 HN HIS 49 -10.567 8.523 17.250 975 HA HIS 49 HA HIS 49 -10.870 9.260 19.916 976 1HB HIS 49 HBS HIS 49 -8.930 7.919 18.841 977 2HB HIS 49 HBR HIS 49 -8.181 9.513 18.536 978 HD1 HIS 49 HD1 HIS 49 -8.376 6.921 21.109 979 HD2 HIS 49 HD2 HIS 49 -7.904 11.058 21.025 980 HE1 HIS 49 HE1 HIS 49 -7.303 7.554 23.283 981 HE2 HIS 49 HE2 HIS 49 -6.994 10.054 23.229 982 H ALA 50 HN ALA 50 -9.745 11.191 17.161 983 HA ALA 50 HA ALA 50 -9.324 13.660 18.561 984 1HB ALA 50 HMB ALA 50 -9.017 12.792 15.992 985 2HB ALA 50 HMB ALA 50 -10.490 13.788 15.862 986 3HB ALA 50 HMB ALA 50 -8.988 14.496 16.509 987 H GLY 51 HN GLY 51 -12.153 12.128 17.022 988 1HA GLY 51 HAR GLY 51 -14.436 12.764 17.852 989 2HA GLY 51 HAS GLY 51 -13.831 14.442 17.912 990 H ARG 52 HN ARG 52 -12.905 12.166 15.390 991 HA ARG 52 HA ARG 52 -13.478 11.901 13.192 992 1HB ARG 52 HBR ARG 52 -15.795 11.644 13.865 993 2HB ARG 52 HBS ARG 52 -16.000 13.417 13.946 994 1HG ARG 52 HGS ARG 52 -15.239 13.285 11.417 995 2HG ARG 52 HGR ARG 52 -15.826 11.605 11.563 996 1HD ARG 52 HDS ARG 52 -17.371 14.131 12.145 997 2HD ARG 52 HDR ARG 52 -17.579 13.039 10.747 998 HE ARG 52 HE ARG 52 -18.182 11.295 12.522 999 1HH1 ARG 52 HH1 ARG 52 -18.980 14.724 12.690 1000 2HH1 ARG 52 HH1 ARG 52 -20.226 14.488 13.870 1001 1HH2 ARG 52 HH2 ARG 52 -19.749 11.037 14.138 1002 2HH2 ARG 52 HH2 ARG 52 -20.668 12.400 14.684 1003 H LYS 53 HN LYS 53 -15.184 14.983 13.493 1004 HA LYS 53 HA LYS 53 -14.739 17.096 12.736 1005 1HB LYS 53 HBR LYS 53 -12.870 17.030 14.328 1006 2HB LYS 53 HBS LYS 53 -11.829 16.294 13.077 1007 1HG LYS 53 HGR LYS 53 -11.200 18.502 12.891 1008 2HG LYS 53 HGS LYS 53 -12.531 18.451 11.699 1009 1HD LYS 53 HDS LYS 53 -13.221 20.276 12.773 1010 2HD LYS 53 HDR LYS 53 -13.978 19.083 13.792 1011 1HE LYS 53 HES LYS 53 -11.232 20.091 14.445 1012 2HE LYS 53 HER LYS 53 -12.701 21.002 14.894 1013 1HZ LYS 53 HZB LYS 53 -13.460 19.031 16.046 1014 2HZ LYS 53 HZC LYS 53 -12.087 18.232 15.666 1015 3HZ LYS 53 HZA LYS 53 -12.028 19.539 16.645 1016 H THR 54 HN THR 54 -11.793 15.609 11.413 1017 HA THR 54 HA THR 54 -13.060 14.870 8.952 1018 HB THR 54 HB THR 54 -11.096 17.227 8.842 1019 HG1 THR 54 HG1 THR 54 -12.616 18.123 7.858 1020 1HG2 THR 54 HMG THR 54 -12.045 15.378 6.663 1021 2HG2 THR 54 HMG THR 54 -11.589 17.067 6.321 1022 3HG2 THR 54 HMG THR 54 -10.394 15.946 7.023 1023 H ILE 55 HN ILE 55 -11.470 13.869 7.458 1024 HA ILE 55 HA ILE 55 -9.005 12.957 8.864 1025 HB ILE 55 HB ILE 55 -10.529 11.628 6.568 1026 1HG1 ILE 55 HG1 ILE 55 -10.278 10.981 9.523 1027 2HG1 ILE 55 HG1 ILE 55 -11.754 11.382 8.601 1028 1HG2 ILE 55 HMG ILE 55 -7.857 11.438 6.942 1029 2HG2 ILE 55 HMG ILE 55 -8.432 10.112 7.986 1030 3HG2 ILE 55 HMG ILE 55 -8.876 10.143 6.260 1031 1HD1 ILE 55 HMD ILE 55 -10.854 9.165 7.272 1032 2HD1 ILE 55 HMD ILE 55 -10.368 8.809 8.951 1033 3HD1 ILE 55 HMD ILE 55 -12.075 9.162 8.573 1034 H LYS 56 HN LYS 56 -7.078 13.344 7.951 1035 HA LYS 56 HA LYS 56 -6.939 14.744 5.371 1036 1HB LYS 56 HBR LYS 56 -5.855 16.056 7.881 1037 2HB LYS 56 HBS LYS 56 -5.788 16.670 6.204 1038 1HG LYS 56 HGR LYS 56 -8.534 16.155 6.950 1039 2HG LYS 56 HGS LYS 56 -7.755 17.191 8.180 1040 1HD LYS 56 HDS LYS 56 -7.745 17.737 5.210 1041 2HD LYS 56 HDR LYS 56 -8.905 18.387 6.337 1042 1HE LYS 56 HES LYS 56 -6.843 19.252 7.648 1043 2HE LYS 56 HER LYS 56 -5.992 18.980 6.100 1044 1HZ LYS 56 HZC LYS 56 -7.774 20.350 5.089 1045 2HZ LYS 56 HZA LYS 56 -8.281 20.748 6.590 1046 3HZ LYS 56 HZB LYS 56 -6.781 21.166 6.098 1047 H ALA 57 HN ALA 57 -4.513 15.470 5.115 1048 HA ALA 57 HA ALA 57 -2.938 13.194 5.042 1049 1HB ALA 57 HMB ALA 57 -2.155 16.117 5.018 1050 2HB ALA 57 HMB ALA 57 -1.037 14.778 4.654 1051 3HB ALA 57 HMB ALA 57 -2.467 15.049 3.626 1052 H GLU 58 HN GLU 58 -3.395 15.475 7.643 1053 HA GLU 58 HA GLU 58 -1.199 14.691 9.338 1054 1HB GLU 58 HBR GLU 58 -3.285 16.502 9.339 1055 2HB GLU 58 HBS GLU 58 -3.841 15.341 10.415 1056 1HG GLU 58 HGS GLU 58 -2.114 15.532 11.952 1057 2HG GLU 58 HGR GLU 58 -1.050 16.455 10.856 1058 H ASP 59 HN ASP 59 -4.624 13.660 9.064 1059 HA ASP 59 HA ASP 59 -4.405 11.823 11.216 1060 1HB ASP 59 HBS ASP 59 -6.476 12.907 9.609 1061 2HB ASP 59 HBR ASP 59 -6.639 11.127 9.620 1062 H ILE 60 HN ILE 60 -3.848 11.549 7.794 1063 HA ILE 60 HA ILE 60 -3.808 8.695 7.701 1064 HB ILE 60 HB ILE 60 -2.500 10.780 5.885 1065 1HG1 ILE 60 HG1 ILE 60 -4.835 11.178 5.972 1066 2HG1 ILE 60 HG1 ILE 60 -4.517 10.321 4.438 1067 1HG2 ILE 60 HMG ILE 60 -2.917 7.817 5.508 1068 2HG2 ILE 60 HMG ILE 60 -2.669 8.944 4.148 1069 3HG2 ILE 60 HMG ILE 60 -1.406 8.757 5.393 1070 1HD1 ILE 60 HMD ILE 60 -5.094 8.269 6.205 1071 2HD1 ILE 60 HMD ILE 60 -6.207 9.571 6.702 1072 3HD1 ILE 60 HMD ILE 60 -6.212 8.988 5.016 1073 H GLU 61 HN GLU 61 -1.289 11.164 8.182 1074 HA GLU 61 HA GLU 61 0.964 9.350 8.035 1075 1HB GLU 61 HBR GLU 61 0.525 12.096 9.224 1076 2HB GLU 61 HBS GLU 61 1.982 11.269 9.306 1077 1HG GLU 61 HGS GLU 61 2.062 11.014 6.836 1078 2HG GLU 61 HGR GLU 61 0.689 12.144 6.686 1079 H LEU 62 HN LEU 62 -1.244 10.519 10.537 1080 HA LEU 62 HA LEU 62 -0.011 9.245 12.778 1081 1HB LEU 62 HBR LEU 62 -1.779 11.025 12.748 1082 2HB LEU 62 HBS LEU 62 -2.951 9.766 12.261 1083 HG LEU 62 HG LEU 62 -2.753 8.656 14.353 1084 1HD1 LEU 62 HMD LEU 62 -0.197 9.957 14.438 1085 2HD1 LEU 62 HMD LEU 62 -1.124 10.402 15.893 1086 3HD1 LEU 62 HMD LEU 62 -0.847 8.685 15.504 1087 1HD2 LEU 62 HMD LEU 62 -4.069 10.835 14.089 1088 2HD2 LEU 62 HMD LEU 62 -3.709 10.301 15.749 1089 3HD2 LEU 62 HMD LEU 62 -2.752 11.609 15.007 1090 H ALA 63 HN ALA 63 -2.705 8.199 10.654 1091 HA ALA 63 HA ALA 63 -2.971 5.635 11.616 1092 1HB ALA 63 HMB ALA 63 -3.989 7.135 9.494 1093 2HB ALA 63 HMB ALA 63 -3.300 5.677 8.736 1094 3HB ALA 63 HMB ALA 63 -4.516 5.519 10.029 1095 H VAL 64 HN VAL 64 -0.777 6.771 9.049 1096 HA VAL 64 HA VAL 64 -0.095 4.064 8.441 1097 HB VAL 64 HB VAL 64 -0.415 6.363 7.074 1098 1HG1 VAL 64 HMG VAL 64 2.556 6.073 7.364 1099 2HG1 VAL 64 HMG VAL 64 1.863 6.595 5.810 1100 3HG1 VAL 64 HMG VAL 64 1.537 7.530 7.288 1101 1HG2 VAL 64 HMG VAL 64 -0.264 3.773 6.472 1102 2HG2 VAL 64 HMG VAL 64 -0.319 5.066 5.250 1103 3HG2 VAL 64 HMG VAL 64 1.237 4.320 5.686 1104 H ARG 65 HN ARG 65 2.013 6.850 9.268 1105 HA ARG 65 HA ARG 65 4.293 5.434 9.836 1106 1HB ARG 65 HBR ARG 65 4.204 7.869 9.743 1107 2HB ARG 65 HBS ARG 65 3.304 7.911 11.287 1108 1HG ARG 65 HGS ARG 65 5.652 8.476 11.634 1109 2HG ARG 65 HGR ARG 65 5.245 6.935 12.440 1110 1HD ARG 65 HDS ARG 65 7.361 6.712 11.367 1111 2HD ARG 65 HDR ARG 65 6.158 5.732 10.485 1112 HE ARG 65 HE ARG 65 6.078 7.896 8.986 1113 1HH1 ARG 65 HH1 ARG 65 8.861 6.168 10.290 1114 2HH1 ARG 65 HH1 ARG 65 9.954 6.822 9.118 1115 1HH2 ARG 65 HH2 ARG 65 7.562 8.830 7.550 1116 2HH2 ARG 65 HH2 ARG 65 9.219 8.325 7.563 1117 H ARG 66 HN ARG 66 1.437 5.769 11.845 1118 HA ARG 66 HA ARG 66 2.612 4.400 14.132 1119 1HB ARG 66 HBR ARG 66 0.737 5.930 14.446 1120 2HB ARG 66 HBS ARG 66 -0.287 4.916 13.391 1121 1HG ARG 66 HGS ARG 66 -0.823 4.528 15.732 1122 2HG ARG 66 HGR ARG 66 -0.100 3.065 15.008 1123 1HD ARG 66 HDS ARG 66 2.002 4.659 16.039 1124 2HD ARG 66 HDR ARG 66 0.730 4.552 17.288 1125 HE ARG 66 HE ARG 66 1.787 2.107 15.965 1126 1HH1 ARG 66 HH1 ARG 66 1.470 4.091 18.863 1127 2HH1 ARG 66 HH1 ARG 66 1.746 2.760 19.936 1128 1HH2 ARG 66 HH2 ARG 66 2.041 0.372 17.401 1129 2HH2 ARG 66 HH2 ARG 66 2.078 0.657 19.110 1130 H PHE 67 HN PHE 67 0.791 3.565 11.225 1131 HA PHE 67 HA PHE 67 0.410 0.811 11.715 1132 1HB PHE 67 HBR PHE 67 -0.044 2.475 9.529 1133 2HB PHE 67 HBS PHE 67 1.233 1.366 8.950 1134 HD1 PHE 67 HD1 PHE 67 -1.814 1.216 11.042 1135 HD2 PHE 67 HD2 PHE 67 0.391 -0.600 7.880 1136 HE1 PHE 67 HE1 PHE 67 -3.593 -0.455 10.787 1137 HE2 PHE 67 HE2 PHE 67 -1.389 -2.295 7.604 1138 HZ PHE 67 HZ PHE 67 -3.334 -2.273 9.140 1139 H LYS 68 HN LYS 68 3.069 2.374 9.882 1140 HA LYS 68 HA LYS 68 5.144 1.614 9.263 1141 1HB LYS 68 HBR LYS 68 5.486 1.851 11.689 1142 2HB LYS 68 HBS LYS 68 4.955 0.161 11.923 1143 1HG LYS 68 HGR LYS 68 7.443 0.467 11.957 1144 2HG LYS 68 HGS LYS 68 6.866 -0.677 10.712 1145 1HD LYS 68 HDS LYS 68 8.629 0.747 9.853 1146 2HD LYS 68 HDR LYS 68 7.125 0.912 8.990 1147 1HE LYS 68 HES LYS 68 6.772 2.908 10.726 1148 2HE LYS 68 HER LYS 68 8.557 2.867 10.672 1149 1HZ LYS 68 HZA LYS 68 7.398 2.688 8.100 1150 2HZ LYS 68 HZB LYS 68 6.929 4.052 8.867 1151 3HZ LYS 68 HZC LYS 68 8.517 3.734 8.664 1152 H LYS 69 HN LYS 69 4.828 0.378 7.501 1153 HA LYS 69 HA LYS 69 4.961 -2.558 7.872 1154 1HB LYS 69 HBR LYS 69 2.532 -1.693 7.648 1155 2HB LYS 69 HBS LYS 69 2.974 -1.352 5.950 1156 1HG LYS 69 HGR LYS 69 2.441 -3.468 5.464 1157 2HG LYS 69 HGS LYS 69 3.851 -3.984 6.432 1158 1HD LYS 69 HDS LYS 69 2.503 -4.162 8.414 1159 2HD LYS 69 HDR LYS 69 1.125 -3.484 7.591 1160 1HE LYS 69 HES LYS 69 0.513 -5.423 6.698 1161 2HE LYS 69 HER LYS 69 2.189 -5.814 6.220 1162 1HZ LYS 69 HZC LYS 69 2.229 -6.060 8.882 1163 2HZ LYS 69 HZA LYS 69 0.734 -6.617 8.532 1164 3HZ LYS 69 HZB LYS 69 2.043 -7.298 7.833 No H/Q in entry = 1164 Start of MODEL 12 Raw file had 1198 H/Q atoms Start of MODEL 12 1 1H MET 1 HNC MET 1 2.497 9.414 -11.767 2 2H MET 1 HNB MET 1 2.560 7.811 -12.074 3 3H MET 1 HN MET 1 2.676 8.884 -13.301 4 HA MET 1 HA MET 1 0.509 9.470 -13.275 5 1HB MET 1 HBS MET 1 1.203 6.695 -13.305 6 2HB MET 1 HBR MET 1 -0.368 6.868 -12.482 7 1HG MET 1 HGS MET 1 -0.980 6.677 -14.756 8 2HG MET 1 HGR MET 1 -1.013 8.428 -14.450 9 1HE MET 1 HME MET 1 0.087 9.991 -15.419 10 2HE MET 1 HME MET 1 1.844 9.872 -15.148 11 3HE MET 1 HME MET 1 1.200 9.923 -16.808 12 H GLU 2 HN GLU 2 1.773 8.317 -10.277 13 HA GLU 2 HA GLU 2 1.256 8.841 -8.107 14 1HB GLU 2 HBR GLU 2 -0.679 10.798 -9.364 15 2HB GLU 2 HBS GLU 2 -0.247 10.705 -7.745 16 1HG GLU 2 HGS GLU 2 2.239 10.853 -8.731 17 2HG GLU 2 HGR GLU 2 1.411 11.854 -9.955 18 H LEU 3 HN LEU 3 0.276 7.259 -7.083 19 HA LEU 3 HA LEU 3 -1.688 5.812 -7.653 20 1HB LEU 3 HBS LEU 3 -0.572 6.702 -5.097 21 2HB LEU 3 HBR LEU 3 -2.083 5.737 -5.005 22 HG LEU 3 HG LEU 3 -0.910 4.178 -6.647 23 1HD1 LEU 3 HMD LEU 3 1.271 6.024 -5.834 24 2HD1 LEU 3 HMD LEU 3 1.671 4.315 -6.142 25 3HD1 LEU 3 HMD LEU 3 0.884 5.288 -7.410 26 1HD2 LEU 3 HMD LEU 3 -1.292 3.860 -4.075 27 2HD2 LEU 3 HMD LEU 3 -0.089 2.821 -4.877 28 3HD2 LEU 3 HMD LEU 3 0.443 4.229 -3.926 29 HA PRO 4 HA PRO 4 -5.105 8.689 -8.032 30 1HB PRO 4 HBR PRO 4 -6.580 6.650 -9.221 31 2HB PRO 4 HBS PRO 4 -6.043 8.039 -9.910 32 1HG PRO 4 HGR PRO 4 -5.092 5.602 -10.438 33 2HG PRO 4 HGS PRO 4 -4.365 7.045 -10.853 34 1HD PRO 4 HDS PRO 4 -3.634 5.245 -8.833 35 2HD PRO 4 HDR PRO 4 -2.736 6.464 -9.496 36 H ILE 5 HN ILE 5 -7.066 9.172 -7.147 37 HA ILE 5 HA ILE 5 -7.313 7.677 -4.634 38 HB ILE 5 HB ILE 5 -8.379 9.734 -3.795 39 1HG1 ILE 5 HG1 ILE 5 -8.183 11.743 -5.581 40 2HG1 ILE 5 HG1 ILE 5 -8.467 10.387 -6.710 41 1HG2 ILE 5 HMG ILE 5 -5.714 9.745 -5.034 42 2HG2 ILE 5 HMG ILE 5 -6.384 11.362 -4.691 43 3HG2 ILE 5 HMG ILE 5 -6.225 10.165 -3.378 44 1HD1 ILE 5 HMD ILE 5 -10.273 10.601 -4.349 45 2HD1 ILE 5 HMD ILE 5 -10.452 11.819 -5.640 46 3HD1 ILE 5 HMD ILE 5 -10.614 10.084 -6.022 47 H ALA 6 HN ALA 6 -8.646 7.020 -7.353 48 HA ALA 6 HA ALA 6 -11.486 7.016 -6.549 49 1HB ALA 6 HMB ALA 6 -9.961 6.684 -9.033 50 2HB ALA 6 HMB ALA 6 -11.252 5.475 -8.820 51 3HB ALA 6 HMB ALA 6 -11.643 7.212 -8.773 52 HA PRO 7 HA PRO 7 -10.097 2.337 -6.300 53 1HB PRO 7 HBR PRO 7 -7.341 2.312 -6.335 54 2HB PRO 7 HBS PRO 7 -8.354 1.501 -7.339 55 1HG PRO 7 HGS PRO 7 -6.807 3.626 -7.974 56 2HG PRO 7 HGR PRO 7 -7.904 2.860 -8.970 57 1HD PRO 7 HDS PRO 7 -8.161 5.336 -7.760 58 2HD PRO 7 HDR PRO 7 -9.185 4.628 -8.846 59 H ILE 8 HN ILE 8 -7.469 4.287 -5.102 60 HA ILE 8 HA ILE 8 -7.429 3.208 -2.563 61 HB ILE 8 HB ILE 8 -6.697 6.037 -3.462 62 1HG1 ILE 8 HG1 ILE 8 -5.155 3.427 -3.295 63 2HG1 ILE 8 HG1 ILE 8 -5.531 4.398 -4.746 64 1HG2 ILE 8 HMG ILE 8 -6.889 5.191 -0.840 65 2HG2 ILE 8 HMG ILE 8 -5.163 4.962 -1.229 66 3HG2 ILE 8 HMG ILE 8 -5.922 6.561 -1.447 67 1HD1 ILE 8 HMD ILE 8 -3.934 5.714 -2.604 68 2HD1 ILE 8 HMD ILE 8 -3.138 4.432 -3.556 69 3HD1 ILE 8 HMD ILE 8 -3.827 5.857 -4.379 70 H GLY 9 HN GLY 9 -9.114 6.200 -3.584 71 1HA GLY 9 HAS GLY 9 -10.150 6.912 -1.128 72 2HA GLY 9 HAR GLY 9 -10.912 7.332 -2.686 73 H ARG 10 HN ARG 10 -11.576 4.744 -3.574 74 HA ARG 10 HA ARG 10 -14.009 4.227 -2.309 75 1HB ARG 10 HBR ARG 10 -12.468 3.091 -4.468 76 2HB ARG 10 HBS ARG 10 -13.190 1.791 -3.477 77 1HG ARG 10 HGS ARG 10 -15.340 2.369 -4.031 78 2HG ARG 10 HGR ARG 10 -14.927 4.084 -4.313 79 1HD ARG 10 HDS ARG 10 -14.394 3.740 -6.452 80 2HD ARG 10 HDR ARG 10 -13.622 2.165 -6.116 81 HE ARG 10 HE ARG 10 -16.557 2.254 -5.988 82 1HH1 ARG 10 HH1 ARG 10 -13.628 1.190 -7.636 83 2HH1 ARG 10 HH1 ARG 10 -14.494 0.223 -8.783 84 1HH2 ARG 10 HH2 ARG 10 -17.662 1.083 -7.584 85 2HH2 ARG 10 HH2 ARG 10 -16.776 0.160 -8.753 86 H ILE 11 HN ILE 11 -10.871 2.570 -1.939 87 HA ILE 11 HA ILE 11 -11.655 0.598 -0.167 88 HB ILE 11 HB ILE 11 -8.994 2.094 -0.338 89 1HG1 ILE 11 HG1 ILE 11 -9.954 -0.498 -1.614 90 2HG1 ILE 11 HG1 ILE 11 -9.762 1.077 -2.433 91 1HG2 ILE 11 HMG ILE 11 -9.566 0.601 1.775 92 2HG2 ILE 11 HMG ILE 11 -9.123 -0.712 0.653 93 3HG2 ILE 11 HMG ILE 11 -7.956 0.588 1.009 94 1HD1 ILE 11 HMD ILE 11 -7.404 -0.165 -1.056 95 2HD1 ILE 11 HMD ILE 11 -7.921 -0.778 -2.649 96 3HD1 ILE 11 HMD ILE 11 -7.462 0.935 -2.459 97 H ILE 12 HN ILE 12 -10.479 3.881 0.616 98 HA ILE 12 HA ILE 12 -10.416 3.512 3.410 99 HB ILE 12 HB ILE 12 -10.858 6.166 1.967 100 1HG1 ILE 12 HG1 ILE 12 -9.150 5.090 0.725 101 2HG1 ILE 12 HG1 ILE 12 -8.340 6.262 1.803 102 1HG2 ILE 12 HMG ILE 12 -10.641 5.681 4.640 103 2HG2 ILE 12 HMG ILE 12 -8.947 6.016 4.195 104 3HG2 ILE 12 HMG ILE 12 -10.218 7.214 3.833 105 1HD1 ILE 12 HMD ILE 12 -8.570 3.289 2.355 106 2HD1 ILE 12 HMD ILE 12 -7.156 4.084 1.612 107 3HD1 ILE 12 HMD ILE 12 -7.634 4.493 3.281 108 H LYS 13 HN LYS 13 -12.981 4.631 1.239 109 HA LYS 13 HA LYS 13 -14.926 5.235 3.273 110 1HB LYS 13 HBS LYS 13 -14.837 5.539 0.562 111 2HB LYS 13 HBR LYS 13 -15.899 4.110 0.719 112 1HG LYS 13 HGR LYS 13 -16.592 6.256 2.599 113 2HG LYS 13 HGS LYS 13 -16.681 6.774 0.891 114 1HD LYS 13 HDS LYS 13 -18.627 5.799 0.680 115 2HD LYS 13 HDR LYS 13 -17.853 4.260 0.938 116 1HE LYS 13 HES LYS 13 -18.511 4.081 3.104 117 2HE LYS 13 HER LYS 13 -18.524 5.851 3.344 118 1HZ LYS 13 HZA LYS 13 -20.482 5.813 1.801 119 2HZ LYS 13 HZB LYS 13 -20.541 4.195 2.018 120 3HZ LYS 13 HZC LYS 13 -20.730 5.197 3.294 121 H ASP 14 HN ASP 14 -14.010 2.322 1.444 122 HA ASP 14 HA ASP 14 -15.951 0.647 2.318 123 1HB ASP 14 HBS ASP 14 -14.199 0.209 0.591 124 2HB ASP 14 HBR ASP 14 -13.102 -0.246 1.928 125 H ALA 15 HN ALA 15 -12.962 1.467 4.012 126 HA ALA 15 HA ALA 15 -13.343 0.016 6.385 127 1HB ALA 15 HMB ALA 15 -11.471 1.687 5.547 128 2HB ALA 15 HMB ALA 15 -12.413 2.851 6.514 129 3HB ALA 15 HMB ALA 15 -11.752 1.384 7.281 130 H GLY 16 HN GLY 16 -14.663 3.174 5.389 131 1HA GLY 16 HAR GLY 16 -16.971 3.555 6.259 132 2HA GLY 16 HAS GLY 16 -16.311 3.243 7.887 133 H ALA 17 HN ALA 17 -14.166 4.864 5.749 134 HA ALA 17 HA ALA 17 -14.209 7.415 6.986 135 1HB ALA 17 HMB ALA 17 -12.624 6.193 5.184 136 2HB ALA 17 HMB ALA 17 -13.552 7.261 4.101 137 3HB ALA 17 HMB ALA 17 -12.638 7.952 5.466 138 H GLU 18 HN GLU 18 -15.303 9.251 6.601 139 HA GLU 18 HA GLU 18 -16.992 9.610 4.315 140 1HB GLU 18 HBR GLU 18 -18.241 8.079 6.040 141 2HB GLU 18 HBS GLU 18 -18.350 9.476 6.963 142 1HG GLU 18 HGS GLU 18 -20.350 9.680 5.962 143 2HG GLU 18 HGR GLU 18 -19.393 10.638 4.801 144 H ARG 19 HN ARG 19 -14.781 10.802 5.850 145 HA ARG 19 HA ARG 19 -15.612 13.476 5.342 146 1HB ARG 19 HBR ARG 19 -16.130 12.710 7.977 147 2HB ARG 19 HBS ARG 19 -14.570 13.579 8.059 148 1HG ARG 19 HGS ARG 19 -15.579 15.552 7.847 149 2HG ARG 19 HGR ARG 19 -16.464 15.010 6.393 150 1HD ARG 19 HDS ARG 19 -17.436 13.894 8.928 151 2HD ARG 19 HDR ARG 19 -17.597 15.666 8.772 152 HE ARG 19 HE ARG 19 -18.522 14.471 6.384 153 1HH1 ARG 19 HH1 ARG 19 -19.449 15.030 9.739 154 2HH1 ARG 19 HH1 ARG 19 -21.129 14.736 9.438 155 1HH2 ARG 19 HH2 ARG 19 -20.708 13.966 6.055 156 2HH2 ARG 19 HH2 ARG 19 -21.842 14.135 7.354 157 H VAL 20 HN VAL 20 -13.882 13.056 3.899 158 HA VAL 20 HA VAL 20 -11.187 13.077 5.155 159 HB VAL 20 HB VAL 20 -11.950 11.461 2.721 160 1HG1 VAL 20 HMG VAL 20 -9.493 11.516 4.483 161 2HG1 VAL 20 HMG VAL 20 -9.846 10.211 3.324 162 3HG1 VAL 20 HMG VAL 20 -9.615 11.878 2.744 163 1HG2 VAL 20 HMG VAL 20 -12.440 10.881 5.534 164 2HG2 VAL 20 HMG VAL 20 -13.036 10.068 4.067 165 3HG2 VAL 20 HMG VAL 20 -11.444 9.639 4.737 166 H SER 21 HN SER 21 -9.614 14.214 4.163 167 HA SER 21 HA SER 21 -10.402 16.051 1.992 168 1HB SER 21 HBS SER 21 -9.121 16.935 3.895 169 2HB SER 21 HBR SER 21 -7.773 15.834 3.490 170 HG SER 21 HG SER 21 -8.653 18.268 2.431 171 H ASP 22 HN ASP 22 -9.307 16.147 0.030 172 HA ASP 22 HA ASP 22 -8.552 13.658 -1.144 173 1HB ASP 22 HBS ASP 22 -9.067 16.314 -2.032 174 2HB ASP 22 HBR ASP 22 -7.505 15.762 -2.703 175 H ASP 23 HN ASP 23 -6.918 15.862 0.864 176 HA ASP 23 HA ASP 23 -4.294 15.180 -0.099 177 1HB ASP 23 HBS ASP 23 -5.429 17.221 1.479 178 2HB ASP 23 HBR ASP 23 -4.172 16.421 2.465 179 H ALA 24 HN ALA 24 -6.417 14.018 2.413 180 HA ALA 24 HA ALA 24 -4.507 12.234 3.683 181 1HB ALA 24 HMB ALA 24 -7.311 12.883 3.886 182 2HB ALA 24 HMB ALA 24 -7.084 11.119 3.782 183 3HB ALA 24 HMB ALA 24 -6.243 12.053 5.045 184 H ARG 25 HN ARG 25 -6.887 12.040 1.030 185 HA ARG 25 HA ARG 25 -6.573 9.397 0.367 186 1HB ARG 25 HBR ARG 25 -7.034 11.721 -1.530 187 2HB ARG 25 HBS ARG 25 -7.277 9.996 -1.927 188 1HG ARG 25 HGS ARG 25 -8.707 11.052 0.465 189 2HG ARG 25 HGR ARG 25 -9.265 11.619 -1.135 190 1HD ARG 25 HDS ARG 25 -9.954 9.560 -1.783 191 2HD ARG 25 HDR ARG 25 -8.748 8.715 -0.773 192 HE ARG 25 HE ARG 25 -10.210 8.842 1.058 193 1HH1 ARG 25 HH1 ARG 25 -11.617 10.244 -1.855 194 2HH1 ARG 25 HH1 ARG 25 -13.177 10.453 -1.132 195 1HH2 ARG 25 HH2 ARG 25 -12.228 9.250 2.008 196 2HH2 ARG 25 HH2 ARG 25 -13.524 9.889 1.053 197 H ILE 26 HN ILE 26 -4.570 12.138 -0.677 198 HA ILE 26 HA ILE 26 -2.899 10.561 -2.365 199 HB ILE 26 HB ILE 26 -3.323 13.087 -2.459 200 1HG1 ILE 26 HG1 ILE 26 -0.435 13.017 -2.683 201 2HG1 ILE 26 HG1 ILE 26 -1.134 11.460 -3.212 202 1HG2 ILE 26 HMG ILE 26 -1.572 12.988 -0.054 203 2HG2 ILE 26 HMG ILE 26 -1.311 14.303 -1.230 204 3HG2 ILE 26 HMG ILE 26 -2.910 14.092 -0.470 205 1HD1 ILE 26 HMD ILE 26 -2.779 13.299 -4.434 206 2HD1 ILE 26 HMD ILE 26 -1.183 14.094 -4.501 207 3HD1 ILE 26 HMD ILE 26 -1.398 12.464 -5.195 208 H THR 27 HN THR 27 -2.751 11.495 1.032 209 HA THR 27 HA THR 27 0.001 10.995 1.445 210 HB THR 27 HB THR 27 -2.344 10.985 3.425 211 HG1 THR 27 HG1 THR 27 -2.135 12.627 2.427 212 1HG2 THR 27 HMG THR 27 0.164 9.962 3.969 213 2HG2 THR 27 HMG THR 27 0.281 11.653 4.520 214 3HG2 THR 27 HMG THR 27 -1.000 10.593 5.162 215 H LEU 28 HN LEU 28 -2.866 8.941 2.006 216 HA LEU 28 HA LEU 28 -1.508 6.516 2.597 217 1HB LEU 28 HBR LEU 28 -4.079 7.440 2.413 218 2HB LEU 28 HBS LEU 28 -3.966 6.398 0.970 219 HG LEU 28 HG LEU 28 -3.650 4.459 2.236 220 1HD1 LEU 28 HMD LEU 28 -2.405 6.206 4.126 221 2HD1 LEU 28 HMD LEU 28 -3.723 5.334 4.947 222 3HD1 LEU 28 HMD LEU 28 -2.445 4.425 4.101 223 1HD2 LEU 28 HMD LEU 28 -5.906 5.731 2.301 224 2HD2 LEU 28 HMD LEU 28 -5.655 4.359 3.411 225 3HD2 LEU 28 HMD LEU 28 -5.507 6.030 4.013 226 H ALA 29 HN ALA 29 -2.578 7.969 -0.482 227 HA ALA 29 HA ALA 29 -1.762 5.964 -2.183 228 1HB ALA 29 HMB ALA 29 -2.937 8.343 -2.518 229 2HB ALA 29 HMB ALA 29 -1.309 8.751 -3.116 230 3HB ALA 29 HMB ALA 29 -2.221 7.412 -3.859 231 H LYS 30 HN LYS 30 0.168 8.733 -1.023 232 HA LYS 30 HA LYS 30 2.521 7.823 -2.407 233 1HB LYS 30 HBR LYS 30 1.720 10.134 -0.759 234 2HB LYS 30 HBS LYS 30 3.431 9.650 -0.577 235 1HG LYS 30 HGR LYS 30 3.933 10.101 -2.812 236 2HG LYS 30 HGS LYS 30 2.225 9.990 -3.324 237 1HD LYS 30 HDS LYS 30 2.446 12.220 -3.420 238 2HD LYS 30 HDR LYS 30 1.907 12.038 -1.773 239 1HE LYS 30 HES LYS 30 4.758 12.432 -2.671 240 2HE LYS 30 HER LYS 30 3.697 13.614 -1.853 241 1HZ LYS 30 HZB LYS 30 3.608 11.594 -0.171 242 2HZ LYS 30 HZC LYS 30 5.114 11.367 -0.759 243 3HZ LYS 30 HZA LYS 30 4.714 12.791 -0.067 244 H ILE 31 HN ILE 31 1.144 7.262 0.719 245 HA ILE 31 HA ILE 31 3.460 6.111 2.015 246 HB ILE 31 HB ILE 31 0.442 5.825 2.328 247 1HG1 ILE 31 HG1 ILE 31 2.388 6.887 4.374 248 2HG1 ILE 31 HG1 ILE 31 1.880 7.897 2.989 249 1HG2 ILE 31 HMG ILE 31 2.316 3.887 3.175 250 2HG2 ILE 31 HMG ILE 31 1.805 4.794 4.623 251 3HG2 ILE 31 HMG ILE 31 0.584 4.016 3.582 252 1HD1 ILE 31 HMD ILE 31 -0.495 7.527 3.689 253 2HD1 ILE 31 HMD ILE 31 0.118 6.706 5.149 254 3HD1 ILE 31 HMD ILE 31 0.488 8.429 4.872 255 H LEU 32 HN LEU 32 0.586 4.416 0.753 256 HA LEU 32 HA LEU 32 1.731 1.975 0.676 257 1HB LEU 32 HBR LEU 32 -0.598 3.290 -0.604 258 2HB LEU 32 HBS LEU 32 -0.126 1.702 -1.273 259 HG LEU 32 HG LEU 32 -0.274 0.818 1.103 260 1HD1 LEU 32 HMD LEU 32 -0.285 3.160 2.101 261 2HD1 LEU 32 HMD LEU 32 -1.966 3.293 1.525 262 3HD1 LEU 32 HMD LEU 32 -1.526 2.035 2.709 263 1HD2 LEU 32 HMD LEU 32 -2.446 1.706 -0.728 264 2HD2 LEU 32 HMD LEU 32 -1.991 0.070 -0.187 265 3HD2 LEU 32 HMD LEU 32 -2.937 1.132 0.886 266 H GLU 33 HN GLU 33 2.200 4.486 -1.658 267 HA GLU 33 HA GLU 33 3.372 2.899 -3.769 268 1HB GLU 33 HBS GLU 33 2.601 5.420 -3.372 269 2HB GLU 33 HBR GLU 33 4.232 5.679 -3.080 270 1HG GLU 33 HGS GLU 33 3.385 4.106 -5.501 271 2HG GLU 33 HGR GLU 33 3.145 5.872 -5.584 272 H GLU 34 HN GLU 34 4.738 4.824 -1.062 273 HA GLU 34 HA GLU 34 7.442 4.278 -1.646 274 1HB GLU 34 HBR GLU 34 5.943 5.055 0.855 275 2HB GLU 34 HBS GLU 34 7.598 4.778 0.865 276 1HG GLU 34 HGS GLU 34 6.167 6.946 -0.609 277 2HG GLU 34 HGR GLU 34 7.501 7.155 0.557 278 H MET 35 HN MET 35 5.168 2.696 0.612 279 HA MET 35 HA MET 35 6.870 0.549 1.404 280 1HB MET 35 HBS MET 35 4.088 1.309 1.666 281 2HB MET 35 HBR MET 35 4.238 -0.428 1.298 282 1HG MET 35 HGS MET 35 5.968 0.901 3.425 283 2HG MET 35 HGR MET 35 4.320 0.341 3.792 284 1HE MET 35 HME MET 35 4.052 -1.551 4.882 285 2HE MET 35 HME MET 35 3.662 -2.533 3.447 286 3HE MET 35 HME MET 35 4.800 -3.154 4.670 287 H GLY 36 HN GLY 36 4.689 1.046 -1.355 288 1HA GLY 36 HAR GLY 36 4.635 -1.661 -2.187 289 2HA GLY 36 HAS GLY 36 4.153 -0.253 -3.173 290 H ARG 37 HN ARG 37 6.431 1.160 -3.479 291 HA ARG 37 HA ARG 37 8.158 -0.293 -5.242 292 1HB ARG 37 HBR ARG 37 7.970 2.413 -4.138 293 2HB ARG 37 HBS ARG 37 9.654 1.831 -4.284 294 1HG ARG 37 HGS ARG 37 9.064 1.210 -6.691 295 2HG ARG 37 HGR ARG 37 7.583 2.181 -6.462 296 1HD ARG 37 HDS ARG 37 9.753 3.704 -5.491 297 2HD ARG 37 HDR ARG 37 10.238 3.029 -7.072 298 HE ARG 37 HE ARG 37 7.661 4.024 -7.421 299 1HH1 ARG 37 HH1 ARG 37 10.658 5.420 -6.196 300 2HH1 ARG 37 HH1 ARG 37 10.379 6.953 -6.951 301 1HH2 ARG 37 HH2 ARG 37 7.394 6.000 -8.498 302 2HH2 ARG 37 HH2 ARG 37 8.532 7.283 -8.252 303 H ASP 38 HN ASP 38 7.987 0.126 -1.791 304 HA ASP 38 HA ASP 38 10.630 -0.722 -1.247 305 1HB ASP 38 HBR ASP 38 8.310 0.065 0.255 306 2HB ASP 38 HBS ASP 38 9.103 -1.350 1.004 307 H ILE 39 HN ILE 39 7.552 -2.534 -1.027 308 HA ILE 39 HA ILE 39 8.796 -5.056 -0.424 309 HB ILE 39 HB ILE 39 6.078 -4.596 -1.737 310 1HG1 ILE 39 HG1 ILE 39 6.354 -4.787 1.245 311 2HG1 ILE 39 HG1 ILE 39 6.770 -3.241 0.452 312 1HG2 ILE 39 HMG ILE 39 7.032 -6.943 -1.518 313 2HG2 ILE 39 HMG ILE 39 6.835 -6.741 0.243 314 3HG2 ILE 39 HMG ILE 39 5.412 -6.657 -0.829 315 1HD1 ILE 39 HMD ILE 39 4.283 -4.130 -0.616 316 2HD1 ILE 39 HMD ILE 39 4.201 -4.262 1.161 317 3HD1 ILE 39 HMD ILE 39 4.616 -2.702 0.400 318 H ALA 40 HN ALA 40 8.539 -3.141 -3.249 319 HA ALA 40 HA ALA 40 8.571 -5.264 -5.247 320 1HB ALA 40 HMB ALA 40 8.700 -2.329 -5.164 321 2HB ALA 40 HMB ALA 40 9.736 -3.077 -6.406 322 3HB ALA 40 HMB ALA 40 7.989 -3.425 -6.375 323 H SER 41 HN SER 41 11.057 -2.782 -4.644 324 HA SER 41 HA SER 41 13.107 -4.332 -5.740 325 1HB SER 41 HBR SER 41 12.957 -1.804 -4.201 326 2HB SER 41 HBS SER 41 14.529 -2.654 -4.189 327 HG SER 41 HG SER 41 13.437 -1.044 -6.024 328 H GLU 42 HN GLU 42 11.659 -4.543 -2.650 329 HA GLU 42 HA GLU 42 13.817 -6.028 -1.397 330 1HB GLU 42 HBR GLU 42 10.963 -5.332 -0.866 331 2HB GLU 42 HBS GLU 42 11.560 -6.726 -0.146 332 1HG GLU 42 HGR GLU 42 11.908 -4.948 1.501 333 2HG GLU 42 HGS GLU 42 13.454 -5.567 0.862 334 H ALA 43 HN ALA 43 10.570 -6.943 -2.640 335 HA ALA 43 HA ALA 43 10.985 -9.723 -2.729 336 1HB ALA 43 HMB ALA 43 8.811 -8.581 -2.980 337 2HB ALA 43 HMB ALA 43 9.305 -8.034 -4.602 338 3HB ALA 43 HMB ALA 43 9.125 -9.774 -4.266 339 H ILE 44 HN ILE 44 12.198 -7.170 -4.742 340 HA ILE 44 HA ILE 44 12.891 -8.897 -6.948 341 HB ILE 44 HB ILE 44 13.555 -6.001 -6.240 342 1HG1 ILE 44 HG1 ILE 44 11.708 -7.137 -8.371 343 2HG1 ILE 44 HG1 ILE 44 11.184 -6.667 -6.730 344 1HG2 ILE 44 HMG ILE 44 14.584 -7.674 -8.457 345 2HG2 ILE 44 HMG ILE 44 13.993 -6.048 -8.889 346 3HG2 ILE 44 HMG ILE 44 15.279 -6.234 -7.667 347 1HD1 ILE 44 HMD ILE 44 12.416 -4.819 -8.797 348 2HD1 ILE 44 HMD ILE 44 10.683 -4.926 -8.386 349 3HD1 ILE 44 HMD ILE 44 11.856 -4.356 -7.168 350 H LYS 45 HN LYS 45 14.848 -7.055 -4.570 351 HA LYS 45 HA LYS 45 17.268 -8.477 -4.878 352 1HB LYS 45 HBS LYS 45 16.450 -6.421 -3.300 353 2HB LYS 45 HBR LYS 45 16.506 -7.752 -2.110 354 1HG LYS 45 HGR LYS 45 18.876 -8.215 -3.059 355 2HG LYS 45 HGS LYS 45 18.751 -6.579 -3.766 356 1HD LYS 45 HDS LYS 45 18.241 -5.712 -1.477 357 2HD LYS 45 HDR LYS 45 18.562 -7.307 -0.853 358 1HE LYS 45 HES LYS 45 20.674 -6.122 -2.561 359 2HE LYS 45 HER LYS 45 20.405 -5.409 -0.945 360 1HZ LYS 45 HZB LYS 45 20.799 -8.283 -1.398 361 2HZ LYS 45 HZC LYS 45 22.015 -7.258 -1.025 362 3HZ LYS 45 HZA LYS 45 20.792 -7.494 0.032 363 H LEU 46 HN LEU 46 14.215 -9.467 -3.655 364 HA LEU 46 HA LEU 46 15.208 -11.639 -2.058 365 1HB LEU 46 HBR LEU 46 12.704 -10.343 -2.773 366 2HB LEU 46 HBS LEU 46 12.538 -12.121 -2.722 367 HG LEU 46 HG LEU 46 13.272 -12.164 -0.421 368 1HD1 LEU 46 HMD LEU 46 14.692 -9.974 -0.973 369 2HD1 LEU 46 HMD LEU 46 13.266 -9.182 -0.255 370 3HD1 LEU 46 HMD LEU 46 14.186 -10.383 0.686 371 1HD2 LEU 46 HMD LEU 46 10.881 -11.704 -0.934 372 2HD2 LEU 46 HMD LEU 46 11.417 -11.006 0.615 373 3HD2 LEU 46 HMD LEU 46 11.224 -9.960 -0.814 374 H ALA 47 HN ALA 47 13.943 -11.324 -5.362 375 HA ALA 47 HA ALA 47 14.141 -14.068 -6.123 376 1HB ALA 47 HMB ALA 47 13.961 -11.432 -7.469 377 2HB ALA 47 HMB ALA 47 14.683 -12.762 -8.410 378 3HB ALA 47 HMB ALA 47 13.045 -12.938 -7.732 379 H ARG 48 HN ARG 48 16.467 -11.415 -5.877 380 HA ARG 48 HA ARG 48 18.625 -12.673 -7.159 381 1HB ARG 48 HBS ARG 48 18.366 -10.472 -5.139 382 2HB ARG 48 HBR ARG 48 19.980 -11.162 -5.474 383 1HG ARG 48 HGS ARG 48 18.110 -9.956 -7.542 384 2HG ARG 48 HGR ARG 48 19.515 -9.134 -6.806 385 1HD ARG 48 HDS ARG 48 21.036 -10.586 -7.816 386 2HD ARG 48 HDR ARG 48 19.765 -11.773 -8.222 387 HE ARG 48 HE ARG 48 20.506 -9.407 -9.734 388 1HH1 ARG 48 HH1 ARG 48 17.761 -11.471 -8.939 389 2HH1 ARG 48 HH1 ARG 48 17.032 -11.288 -10.499 390 1HH2 ARG 48 HH2 ARG 48 19.589 -9.296 -11.804 391 2HH2 ARG 48 HH2 ARG 48 18.065 -10.056 -12.121 392 H HIS 49 HN HIS 49 18.029 -12.381 -3.632 393 HA HIS 49 HA HIS 49 20.025 -14.280 -2.945 394 1HB HIS 49 HBS HIS 49 17.991 -12.725 -1.479 395 2HB HIS 49 HBR HIS 49 18.289 -14.346 -0.787 396 HD1 HIS 49 HD1 HIS 49 21.094 -12.400 -2.458 397 HD2 HIS 49 HD2 HIS 49 19.708 -13.303 1.365 398 HE1 HIS 49 HE1 HIS 49 22.839 -11.574 -0.860 399 HE2 HIS 49 HE2 HIS 49 21.996 -12.098 1.456 400 H ALA 50 HN ALA 50 16.773 -14.614 -4.035 401 HA ALA 50 HA ALA 50 16.246 -17.309 -3.183 402 1HB ALA 50 HMB ALA 50 14.653 -15.611 -4.247 403 2HB ALA 50 HMB ALA 50 15.388 -16.081 -5.801 404 3HB ALA 50 HMB ALA 50 14.559 -17.302 -4.802 405 H GLY 51 HN GLY 51 17.855 -15.848 -6.014 406 1HA GLY 51 HAR GLY 51 19.809 -17.161 -6.813 407 2HA GLY 51 HAS GLY 51 18.727 -18.578 -6.877 408 H ARG 52 HN ARG 52 17.353 -15.515 -7.709 409 HA ARG 52 HA ARG 52 16.962 -14.365 -9.646 410 1HB ARG 52 HBS ARG 52 19.391 -14.392 -9.900 411 2HB ARG 52 HBR ARG 52 19.304 -15.992 -10.691 412 1HG ARG 52 HGS ARG 52 17.919 -14.932 -12.498 413 2HG ARG 52 HGR ARG 52 18.252 -13.347 -11.743 414 1HD ARG 52 HDS ARG 52 19.755 -13.838 -13.608 415 2HD ARG 52 HDR ARG 52 20.620 -13.658 -12.055 416 HE ARG 52 HE ARG 52 20.321 -16.108 -13.644 417 1HH1 ARG 52 HH1 ARG 52 21.568 -14.514 -10.757 418 2HH1 ARG 52 HH1 ARG 52 22.465 -15.904 -10.245 419 1HH2 ARG 52 HH2 ARG 52 21.403 -17.945 -12.875 420 2HH2 ARG 52 HH2 ARG 52 22.373 -17.846 -11.443 421 H LYS 53 HN LYS 53 15.268 -14.653 -10.864 422 HA LYS 53 HA LYS 53 15.240 -16.272 -13.114 423 1HB LYS 53 HBS LYS 53 14.354 -17.724 -10.747 424 2HB LYS 53 HBR LYS 53 13.068 -17.605 -11.982 425 1HG LYS 53 HGR LYS 53 15.881 -18.686 -12.418 426 2HG LYS 53 HGS LYS 53 14.390 -19.659 -12.259 427 1HD LYS 53 HDS LYS 53 14.239 -19.592 -14.451 428 2HD LYS 53 HDR LYS 53 13.688 -17.954 -14.232 429 1HE LYS 53 HES LYS 53 15.334 -17.770 -15.858 430 2HE LYS 53 HER LYS 53 16.122 -17.247 -14.343 431 1HZ LYS 53 HZA LYS 53 16.516 -19.933 -14.493 432 2HZ LYS 53 HZB LYS 53 16.767 -19.413 -16.021 433 3HZ LYS 53 HZC LYS 53 17.624 -18.769 -14.789 434 H THR 54 HN THR 54 12.603 -15.846 -10.737 435 HA THR 54 HA THR 54 11.586 -13.452 -12.095 436 HB THR 54 HB THR 54 9.987 -16.074 -12.138 437 HG1 THR 54 HG1 THR 54 10.590 -16.333 -13.825 438 1HG2 THR 54 HMG THR 54 8.723 -13.834 -11.914 439 2HG2 THR 54 HMG THR 54 9.244 -13.546 -13.593 440 3HG2 THR 54 HMG THR 54 8.238 -14.964 -13.204 441 H ILE 55 HN ILE 55 10.217 -12.286 -10.865 442 HA ILE 55 HA ILE 55 9.889 -12.960 -8.047 443 HB ILE 55 HB ILE 55 8.591 -10.709 -9.655 444 1HG1 ILE 55 HG1 ILE 55 11.024 -10.728 -9.986 445 2HG1 ILE 55 HG1 ILE 55 10.482 -9.298 -9.063 446 1HG2 ILE 55 HMG ILE 55 9.154 -11.000 -6.696 447 2HG2 ILE 55 HMG ILE 55 8.546 -9.523 -7.490 448 3HG2 ILE 55 HMG ILE 55 7.561 -11.010 -7.497 449 1HD1 ILE 55 HMD ILE 55 11.480 -11.735 -7.614 450 2HD1 ILE 55 HMD ILE 55 12.632 -10.579 -8.336 451 3HD1 ILE 55 HMD ILE 55 11.470 -10.027 -7.101 452 H LYS 56 HN LYS 56 8.038 -13.550 -7.022 453 HA LYS 56 HA LYS 56 5.516 -13.828 -8.544 454 1HB LYS 56 HBR LYS 56 6.512 -16.163 -6.926 455 2HB LYS 56 HBS LYS 56 5.241 -16.096 -8.181 456 1HG LYS 56 HGR LYS 56 6.849 -15.993 -9.938 457 2HG LYS 56 HGS LYS 56 8.184 -15.676 -8.794 458 1HD LYS 56 HDS LYS 56 8.303 -17.843 -8.076 459 2HD LYS 56 HDR LYS 56 6.640 -18.182 -8.469 460 1HE LYS 56 HES LYS 56 8.348 -19.322 -9.912 461 2HE LYS 56 HER LYS 56 7.065 -18.409 -10.756 462 1HZ LYS 56 HZC LYS 56 9.666 -17.209 -10.157 463 2HZ LYS 56 HZA LYS 56 9.423 -18.079 -11.517 464 3HZ LYS 56 HZB LYS 56 8.549 -16.726 -11.247 465 H ALA 57 HN ALA 57 3.884 -14.942 -6.917 466 HA ALA 57 HA ALA 57 3.366 -13.014 -4.998 467 1HB ALA 57 HMB ALA 57 1.683 -14.488 -5.984 468 2HB ALA 57 HMB ALA 57 2.345 -15.867 -5.070 469 3HB ALA 57 HMB ALA 57 1.603 -14.498 -4.204 470 H GLU 58 HN GLU 58 4.937 -16.174 -4.612 471 HA GLU 58 HA GLU 58 5.145 -16.081 -1.789 472 1HB GLU 58 HBS GLU 58 5.297 -17.980 -3.288 473 2HB GLU 58 HBR GLU 58 6.765 -17.477 -3.927 474 1HG GLU 58 HGS GLU 58 7.917 -17.894 -1.849 475 2HG GLU 58 HGR GLU 58 6.401 -18.006 -0.914 476 H ASP 59 HN ASP 59 7.175 -14.809 -4.382 477 HA ASP 59 HA ASP 59 9.290 -14.011 -2.631 478 1HB ASP 59 HBS ASP 59 8.787 -14.026 -5.454 479 2HB ASP 59 HBR ASP 59 9.448 -12.445 -4.946 480 H ILE 60 HN ILE 60 6.394 -12.439 -3.870 481 HA ILE 60 HA ILE 60 6.867 -9.835 -2.762 482 HB ILE 60 HB ILE 60 4.272 -11.348 -3.340 483 1HG1 ILE 60 HG1 ILE 60 5.528 -11.148 -5.342 484 2HG1 ILE 60 HG1 ILE 60 4.256 -9.895 -5.402 485 1HG2 ILE 60 HMG ILE 60 3.846 -9.552 -1.765 486 2HG2 ILE 60 HMG ILE 60 4.690 -8.394 -2.827 487 3HG2 ILE 60 HMG ILE 60 3.171 -9.158 -3.368 488 1HD1 ILE 60 HMD ILE 60 6.289 -8.469 -4.321 489 2HD1 ILE 60 HMD ILE 60 7.204 -9.631 -5.319 490 3HD1 ILE 60 HMD ILE 60 5.968 -8.587 -6.072 491 H GLU 61 HN GLU 61 5.142 -12.729 -1.551 492 HA GLU 61 HA GLU 61 4.325 -11.526 0.940 493 1HB GLU 61 HBR GLU 61 4.576 -14.327 -0.147 494 2HB GLU 61 HBS GLU 61 4.241 -14.047 1.473 495 1HG GLU 61 HGS GLU 61 2.399 -12.382 0.526 496 2HG GLU 61 HGR GLU 61 2.385 -13.541 -0.830 497 H LEU 62 HN LEU 62 7.133 -13.351 -0.198 498 HA LEU 62 HA LEU 62 8.522 -13.612 2.261 499 1HB LEU 62 HBR LEU 62 9.059 -13.699 -0.636 500 2HB LEU 62 HBS LEU 62 10.459 -13.222 0.368 501 HG LEU 62 HG LEU 62 9.028 -15.604 1.332 502 1HD1 LEU 62 HMD LEU 62 9.880 -15.375 -1.477 503 2HD1 LEU 62 HMD LEU 62 10.606 -16.747 -0.601 504 3HD1 LEU 62 HMD LEU 62 8.834 -16.581 -0.685 505 1HD2 LEU 62 HMD LEU 62 11.223 -14.557 2.089 506 2HD2 LEU 62 HMD LEU 62 11.249 -16.310 1.768 507 3HD2 LEU 62 HMD LEU 62 11.926 -15.176 0.573 508 H ALA 63 HN ALA 63 8.795 -11.070 -0.256 509 HA ALA 63 HA ALA 63 10.390 -9.319 1.147 510 1HB ALA 63 HMB ALA 63 8.604 -9.201 -1.155 511 2HB ALA 63 HMB ALA 63 8.714 -7.648 -0.288 512 3HB ALA 63 HMB ALA 63 10.194 -8.442 -0.886 513 H VAL 64 HN VAL 64 6.820 -9.464 1.142 514 HA VAL 64 HA VAL 64 6.596 -6.990 2.442 515 HB VAL 64 HB VAL 64 5.004 -8.670 1.008 516 1HG1 VAL 64 HMG VAL 64 4.288 -9.937 3.012 517 2HG1 VAL 64 HMG VAL 64 3.581 -8.446 3.678 518 3HG1 VAL 64 HMG VAL 64 2.954 -9.125 2.158 519 1HG2 VAL 64 HMG VAL 64 4.933 -5.996 2.017 520 2HG2 VAL 64 HMG VAL 64 4.225 -6.687 0.537 521 3HG2 VAL 64 HMG VAL 64 3.290 -6.681 2.052 522 H ARG 65 HN ARG 65 5.892 -10.242 3.778 523 HA ARG 65 HA ARG 65 5.847 -9.510 6.449 524 1HB ARG 65 HBR ARG 65 6.251 -11.798 7.008 525 2HB ARG 65 HBS ARG 65 5.207 -11.728 5.559 526 1HG ARG 65 HGS ARG 65 7.507 -12.003 4.289 527 2HG ARG 65 HGR ARG 65 8.035 -12.691 5.851 528 1HD ARG 65 HDS ARG 65 5.668 -13.941 5.533 529 2HD ARG 65 HDR ARG 65 6.159 -13.730 3.829 530 HE ARG 65 HE ARG 65 8.407 -14.721 5.093 531 1HH1 ARG 65 HH1 ARG 65 5.047 -15.789 5.074 532 2HH1 ARG 65 HH1 ARG 65 5.467 -17.468 5.033 533 1HH2 ARG 65 HH2 ARG 65 8.916 -16.922 4.909 534 2HH2 ARG 65 HH2 ARG 65 7.657 -18.111 4.938 535 H ARG 66 HN ARG 66 8.564 -9.696 4.321 536 HA ARG 66 HA ARG 66 10.676 -9.960 6.243 537 1HB ARG 66 HBR ARG 66 10.709 -9.976 3.600 538 2HB ARG 66 HBS ARG 66 10.972 -8.221 3.818 539 1HG ARG 66 HGS ARG 66 12.863 -8.994 5.457 540 2HG ARG 66 HGR ARG 66 12.743 -10.535 4.561 541 1HD ARG 66 HDS ARG 66 13.399 -9.580 2.570 542 2HD ARG 66 HDR ARG 66 12.958 -7.932 3.098 543 HE ARG 66 HE ARG 66 15.382 -9.436 3.927 544 1HH1 ARG 66 HH1 ARG 66 13.494 -6.458 3.997 545 2HH1 ARG 66 HH1 ARG 66 14.870 -5.466 4.349 546 1HH2 ARG 66 HH2 ARG 66 17.176 -8.090 4.255 547 2HH2 ARG 66 HH2 ARG 66 16.953 -6.389 4.496 548 H PHE 67 HN PHE 67 8.951 -7.160 4.848 549 HA PHE 67 HA PHE 67 10.024 -5.168 6.556 550 1HB PHE 67 HBR PHE 67 7.182 -5.339 5.459 551 2HB PHE 67 HBS PHE 67 7.944 -3.903 6.203 552 HD1 PHE 67 HD1 PHE 67 7.912 -6.185 3.370 553 HD2 PHE 67 HD2 PHE 67 9.521 -2.536 4.870 554 HE1 PHE 67 HE1 PHE 67 8.999 -5.797 1.204 555 HE2 PHE 67 HE2 PHE 67 10.546 -2.076 2.667 556 HZ PHE 67 HZ PHE 67 10.258 -3.711 0.826 557 H LYS 68 HN LYS 68 6.910 -6.914 6.895 558 HA LYS 68 HA LYS 68 5.847 -7.800 8.714 559 1HB LYS 68 HBR LYS 68 8.597 -8.296 9.087 560 2HB LYS 68 HBS LYS 68 7.983 -7.707 10.658 561 1HG LYS 68 HGR LYS 68 6.758 -9.988 9.059 562 2HG LYS 68 HGS LYS 68 7.897 -10.190 10.421 563 1HD LYS 68 HDS LYS 68 6.265 -8.878 11.829 564 2HD LYS 68 HDR LYS 68 5.143 -8.989 10.502 565 1HE LYS 68 HES LYS 68 4.850 -10.698 12.318 566 2HE LYS 68 HER LYS 68 4.963 -11.314 10.645 567 1HZ LYS 68 HZA LYS 68 7.340 -11.143 12.329 568 2HZ LYS 68 HZB LYS 68 6.331 -12.421 12.457 569 3HZ LYS 68 HZC LYS 68 7.065 -12.099 11.034 570 H LYS 69 HN LYS 69 8.271 -5.868 10.477 571 HA LYS 69 HA LYS 69 6.011 -4.424 11.788 572 1HB LYS 69 HBS LYS 69 7.194 -6.297 13.081 573 2HB LYS 69 HBR LYS 69 8.606 -5.204 13.128 574 1HG LYS 69 HGR LYS 69 6.680 -3.516 14.019 575 2HG LYS 69 HGS LYS 69 6.020 -5.072 14.600 576 1HD LYS 69 HDS LYS 69 7.591 -5.342 16.150 577 2HD LYS 69 HDR LYS 69 8.865 -4.789 15.099 578 1HE LYS 69 HES LYS 69 7.033 -2.667 15.983 579 2HE LYS 69 HER LYS 69 7.992 -3.455 17.268 580 1HZ LYS 69 HZC LYS 69 9.956 -2.984 15.977 581 2HZ LYS 69 HZA LYS 69 9.075 -2.248 14.815 582 3HZ LYS 69 HZB LYS 69 9.154 -1.602 16.313 583 1H MET 1 HNC MET 1 -13.493 -4.361 -7.145 584 2H MET 1 HN MET 1 -14.190 -3.176 -6.262 585 3H MET 1 HNB MET 1 -12.993 -2.815 -7.314 586 HA MET 1 HA MET 1 -11.986 -2.706 -5.288 587 1HB MET 1 HBS MET 1 -12.192 -4.381 -3.581 588 2HB MET 1 HBR MET 1 -13.799 -3.768 -4.033 589 1HG MET 1 HGS MET 1 -12.679 -6.276 -5.349 590 2HG MET 1 HGR MET 1 -13.374 -6.360 -3.715 591 1HE MET 1 HME MET 1 -13.698 -7.017 -6.909 592 2HE MET 1 HME MET 1 -15.417 -7.469 -7.030 593 3HE MET 1 HME MET 1 -14.846 -5.940 -7.745 594 H GLU 2 HN GLU 2 -10.245 -4.364 -4.342 595 HA GLU 2 HA GLU 2 -8.271 -5.445 -4.767 596 1HB GLU 2 HBR GLU 2 -9.688 -6.637 -7.155 597 2HB GLU 2 HBS GLU 2 -8.230 -7.114 -6.476 598 1HG GLU 2 HGS GLU 2 -9.716 -7.260 -4.240 599 2HG GLU 2 HGR GLU 2 -10.955 -7.743 -5.431 600 H LEU 3 HN LEU 3 -6.571 -4.437 -5.491 601 HA LEU 3 HA LEU 3 -6.908 -2.263 -7.333 602 1HB LEU 3 HBR LEU 3 -4.240 -3.219 -6.349 603 2HB LEU 3 HBS LEU 3 -4.861 -1.556 -6.550 604 HG LEU 3 HG LEU 3 -5.567 -3.495 -4.332 605 1HD1 LEU 3 HMD LEU 3 -3.791 -1.063 -4.545 606 2HD1 LEU 3 HMD LEU 3 -4.508 -1.562 -2.993 607 3HD1 LEU 3 HMD LEU 3 -3.421 -2.669 -3.869 608 1HD2 LEU 3 HMD LEU 3 -7.119 -1.494 -5.432 609 2HD2 LEU 3 HMD LEU 3 -7.255 -2.126 -3.771 610 3HD2 LEU 3 HMD LEU 3 -6.291 -0.662 -4.091 611 HA PRO 4 HA PRO 4 -5.577 -4.103 -11.119 612 1HB PRO 4 HBR PRO 4 -4.906 -1.718 -12.225 613 2HB PRO 4 HBS PRO 4 -6.319 -2.523 -12.450 614 1HG PRO 4 HGS PRO 4 -5.966 -0.189 -11.111 615 2HG PRO 4 HGR PRO 4 -7.396 -1.027 -11.304 616 1HD PRO 4 HDS PRO 4 -5.757 -0.897 -9.044 617 2HD PRO 4 HDR PRO 4 -7.308 -1.460 -9.154 618 H ILE 5 HN ILE 5 -3.771 -4.697 -12.223 619 HA ILE 5 HA ILE 5 -1.337 -4.153 -10.685 620 HB ILE 5 HB ILE 5 -0.424 -6.093 -11.906 621 1HG1 ILE 5 HG1 ILE 5 -2.948 -6.850 -13.242 622 2HG1 ILE 5 HG1 ILE 5 -2.190 -5.369 -13.893 623 1HG2 ILE 5 HMG ILE 5 -3.083 -6.374 -10.556 624 2HG2 ILE 5 HMG ILE 5 -2.283 -7.805 -11.257 625 3HG2 ILE 5 HMG ILE 5 -1.457 -6.849 -9.998 626 1HD1 ILE 5 HMD ILE 5 -0.670 -7.958 -13.525 627 2HD1 ILE 5 HMD ILE 5 -1.563 -7.557 -15.016 628 3HD1 ILE 5 HMD ILE 5 -0.210 -6.524 -14.481 629 H ALA 6 HN ALA 6 -2.641 -2.304 -12.794 630 HA ALA 6 HA ALA 6 -0.499 -2.088 -14.799 631 1HB ALA 6 HMB ALA 6 -3.227 -1.068 -14.435 632 2HB ALA 6 HMB ALA 6 -2.074 0.152 -15.033 633 3HB ALA 6 HMB ALA 6 -2.298 -1.375 -15.924 634 HA PRO 7 HA PRO 7 0.184 1.862 -12.066 635 1HB PRO 7 HBR PRO 7 -1.214 1.873 -9.783 636 2HB PRO 7 HBS PRO 7 -1.552 2.810 -11.088 637 1HG PRO 7 HGS PRO 7 -2.924 0.568 -10.169 638 2HG PRO 7 HGR PRO 7 -3.464 1.764 -11.199 639 1HD PRO 7 HDS PRO 7 -2.722 -0.728 -11.929 640 2HD PRO 7 HDR PRO 7 -3.001 0.538 -12.955 641 H ILE 8 HN ILE 8 -0.760 -0.776 -9.999 642 HA ILE 8 HA ILE 8 1.533 -0.836 -8.423 643 HB ILE 8 HB ILE 8 -0.270 -3.135 -9.323 644 1HG1 ILE 8 HG1 ILE 8 -0.320 -1.331 -6.873 645 2HG1 ILE 8 HG1 ILE 8 -1.459 -1.303 -8.248 646 1HG2 ILE 8 HMG ILE 8 2.025 -3.762 -8.345 647 2HG2 ILE 8 HMG ILE 8 1.368 -3.157 -6.802 648 3HG2 ILE 8 HMG ILE 8 0.565 -4.508 -7.645 649 1HD1 ILE 8 HMD ILE 8 -2.139 -3.633 -7.634 650 2HD1 ILE 8 HMD ILE 8 -1.129 -3.484 -6.171 651 3HD1 ILE 8 HMD ILE 8 -2.526 -2.399 -6.406 652 H GLY 9 HN GLY 9 0.982 -2.137 -11.654 653 1HA GLY 9 HAR GLY 9 3.225 -3.737 -11.959 654 2HA GLY 9 HAS GLY 9 2.455 -2.830 -13.288 655 H ARG 10 HN ARG 10 2.922 -0.236 -12.670 656 HA ARG 10 HA ARG 10 5.673 -0.056 -13.499 657 1HB ARG 10 HBR ARG 10 4.102 2.400 -12.851 658 2HB ARG 10 HBS ARG 10 5.183 2.042 -14.229 659 1HG ARG 10 HGS ARG 10 3.351 0.470 -15.060 660 2HG ARG 10 HGR ARG 10 2.292 1.231 -13.838 661 1HD ARG 10 HDS ARG 10 2.857 3.437 -14.836 662 2HD ARG 10 HDR ARG 10 3.720 2.567 -16.135 663 HE ARG 10 HE ARG 10 1.297 1.412 -16.263 664 1HH1 ARG 10 HH1 ARG 10 2.355 4.774 -16.302 665 2HH1 ARG 10 HH1 ARG 10 0.903 5.336 -17.059 666 1HH2 ARG 10 HH2 ARG 10 -0.641 2.202 -17.134 667 2HH2 ARG 10 HH2 ARG 10 -0.792 3.881 -17.533 668 H ILE 11 HN ILE 11 4.014 0.262 -10.495 669 HA ILE 11 HA ILE 11 5.926 1.786 -9.020 670 HB ILE 11 HB ILE 11 4.039 -0.470 -8.186 671 1HG1 ILE 11 HG1 ILE 11 3.114 1.667 -9.203 672 2HG1 ILE 11 HG1 ILE 11 2.479 1.199 -7.600 673 1HG2 ILE 11 HMG ILE 11 6.102 0.896 -6.663 674 2HG2 ILE 11 HMG ILE 11 4.480 1.117 -5.955 675 3HG2 ILE 11 HMG ILE 11 5.111 -0.526 -6.245 676 1HD1 ILE 11 HMD ILE 11 4.395 2.822 -6.756 677 2HD1 ILE 11 HMD ILE 11 4.193 3.518 -8.386 678 3HD1 ILE 11 HMD ILE 11 2.802 3.439 -7.272 679 H ILE 12 HN ILE 12 5.497 -1.774 -9.093 680 HA ILE 12 HA ILE 12 7.930 -2.318 -7.793 681 HB ILE 12 HB ILE 12 6.529 -4.211 -9.732 682 1HG1 ILE 12 HG1 ILE 12 4.744 -3.292 -8.485 683 2HG1 ILE 12 HG1 ILE 12 5.102 -4.882 -7.755 684 1HG2 ILE 12 HMG ILE 12 8.635 -4.509 -7.795 685 2HG2 ILE 12 HMG ILE 12 7.239 -5.531 -7.360 686 3HG2 ILE 12 HMG ILE 12 7.988 -5.682 -8.972 687 1HD1 ILE 12 HMD ILE 12 6.023 -2.208 -6.657 688 2HD1 ILE 12 HMD ILE 12 4.616 -3.138 -6.077 689 3HD1 ILE 12 HMD ILE 12 6.259 -3.811 -5.910 690 H LYS 13 HN LYS 13 7.135 -2.019 -11.228 691 HA LYS 13 HA LYS 13 9.683 -2.622 -12.293 692 1HB LYS 13 HBR LYS 13 7.310 -1.039 -13.174 693 2HB LYS 13 HBS LYS 13 8.863 -0.738 -14.004 694 1HG LYS 13 HGR LYS 13 9.024 -3.064 -14.665 695 2HG LYS 13 HGS LYS 13 7.581 -3.481 -13.697 696 1HD LYS 13 HDS LYS 13 6.876 -3.400 -15.930 697 2HD LYS 13 HDR LYS 13 6.227 -2.011 -15.102 698 1HE LYS 13 HES LYS 13 8.036 -0.605 -16.034 699 2HE LYS 13 HER LYS 13 8.594 -2.029 -16.956 700 1HZ LYS 13 HZA LYS 13 5.842 -1.597 -17.318 701 2HZ LYS 13 HZB LYS 13 6.673 -0.244 -17.701 702 3HZ LYS 13 HZC LYS 13 7.032 -1.658 -18.435 703 H ASP 14 HN ASP 14 8.276 0.454 -11.141 704 HA ASP 14 HA ASP 14 10.362 2.087 -11.703 705 1HB ASP 14 HBS ASP 14 8.162 2.820 -10.932 706 2HB ASP 14 HBR ASP 14 8.593 2.313 -9.272 707 H ALA 15 HN ALA 15 10.005 0.049 -8.844 708 HA ALA 15 HA ALA 15 12.388 0.552 -7.531 709 1HB ALA 15 HMB ALA 15 10.414 -1.476 -7.573 710 2HB ALA 15 HMB ALA 15 11.999 -2.282 -7.689 711 3HB ALA 15 HMB ALA 15 11.662 -1.168 -6.339 712 H GLY 16 HN GLY 16 11.857 -1.532 -10.371 713 1HA GLY 16 HAR GLY 16 13.806 -1.817 -11.908 714 2HA GLY 16 HAS GLY 16 14.795 -2.108 -10.452 715 H ALA 17 HN ALA 17 11.537 -3.299 -10.451 716 HA ALA 17 HA ALA 17 12.126 -6.015 -10.292 717 1HB ALA 17 HMB ALA 17 9.913 -4.595 -9.978 718 2HB ALA 17 HMB ALA 17 9.600 -5.165 -11.637 719 3HB ALA 17 HMB ALA 17 9.873 -6.342 -10.327 720 H GLU 18 HN GLU 18 12.794 -7.489 -11.656 721 HA GLU 18 HA GLU 18 13.485 -6.698 -14.400 722 1HB GLU 18 HBR GLU 18 14.767 -8.128 -12.617 723 2HB GLU 18 HBS GLU 18 13.695 -9.345 -13.050 724 1HG GLU 18 HGS GLU 18 15.919 -9.420 -14.238 725 2HG GLU 18 HGR GLU 18 14.486 -9.619 -15.282 726 H ARG 19 HN ARG 19 11.370 -9.029 -12.709 727 HA ARG 19 HA ARG 19 9.257 -8.755 -14.657 728 1HB ARG 19 HBR ARG 19 11.314 -10.798 -15.088 729 2HB ARG 19 HBS ARG 19 9.667 -11.475 -14.935 730 1HG ARG 19 HGS ARG 19 10.534 -9.310 -16.882 731 2HG ARG 19 HGR ARG 19 10.261 -11.031 -17.277 732 1HD ARG 19 HDS ARG 19 7.931 -10.461 -16.085 733 2HD ARG 19 HDR ARG 19 8.339 -8.850 -16.739 734 HE ARG 19 HE ARG 19 8.518 -11.126 -18.593 735 1HH1 ARG 19 HH1 ARG 19 6.898 -8.166 -17.573 736 2HH1 ARG 19 HH1 ARG 19 5.832 -8.150 -18.938 737 1HH2 ARG 19 HH2 ARG 19 7.021 -11.143 -20.295 738 2HH2 ARG 19 HH2 ARG 19 5.902 -9.834 -20.479 739 H VAL 20 HN VAL 20 7.847 -8.528 -13.029 740 HA VAL 20 HA VAL 20 7.504 -10.742 -11.099 741 HB VAL 20 HB VAL 20 5.463 -9.272 -10.468 742 1HG1 VAL 20 HMG VAL 20 8.330 -8.931 -9.776 743 2HG1 VAL 20 HMG VAL 20 7.212 -7.656 -9.234 744 3HG1 VAL 20 HMG VAL 20 6.933 -9.347 -8.754 745 1HG2 VAL 20 HMG VAL 20 5.849 -7.798 -12.539 746 2HG2 VAL 20 HMG VAL 20 5.460 -7.009 -10.991 747 3HG2 VAL 20 HMG VAL 20 7.140 -7.036 -11.579 748 H SER 21 HN SER 21 5.922 -12.206 -11.227 749 HA SER 21 HA SER 21 4.432 -12.591 -13.684 750 1HB SER 21 HBS SER 21 3.348 -14.408 -12.530 751 2HB SER 21 HBR SER 21 5.115 -14.486 -12.276 752 HG SER 21 HG SER 21 4.964 -13.639 -10.247 753 H ASP 22 HN ASP 22 2.054 -12.756 -13.656 754 HA ASP 22 HA ASP 22 0.741 -10.425 -12.637 755 1HB ASP 22 HBS ASP 22 -1.354 -11.743 -13.244 756 2HB ASP 22 HBR ASP 22 -0.227 -11.251 -14.541 757 H ASP 23 HN ASP 23 1.649 -13.431 -11.277 758 HA ASP 23 HA ASP 23 -0.128 -13.436 -9.034 759 1HB ASP 23 HBS ASP 23 2.161 -14.935 -9.919 760 2HB ASP 23 HBR ASP 23 2.295 -14.524 -8.184 761 H ALA 24 HN ALA 24 3.255 -12.295 -9.327 762 HA ALA 24 HA ALA 24 3.420 -11.302 -6.765 763 1HB ALA 24 HMB ALA 24 4.857 -10.501 -9.299 764 2HB ALA 24 HMB ALA 24 5.285 -9.854 -7.695 765 3HB ALA 24 HMB ALA 24 5.396 -11.605 -8.008 766 H ARG 25 HN ARG 25 2.521 -9.517 -9.724 767 HA ARG 25 HA ARG 25 2.216 -6.993 -8.573 768 1HB ARG 25 HBR ARG 25 0.949 -8.326 -10.960 769 2HB ARG 25 HBS ARG 25 0.454 -6.686 -10.451 770 1HG ARG 25 HGS ARG 25 2.594 -5.789 -10.883 771 2HG ARG 25 HGR ARG 25 3.343 -7.408 -10.984 772 1HD ARG 25 HDS ARG 25 1.188 -6.511 -12.878 773 2HD ARG 25 HDR ARG 25 2.915 -6.146 -13.154 774 HE ARG 25 HE ARG 25 2.310 -8.959 -12.651 775 1HH1 ARG 25 HH1 ARG 25 2.385 -6.465 -15.141 776 2HH1 ARG 25 HH1 ARG 25 2.832 -7.575 -16.393 777 1HH2 ARG 25 HH2 ARG 25 3.020 -10.357 -14.288 778 2HH2 ARG 25 HH2 ARG 25 3.190 -9.778 -15.911 779 H ILE 26 HN ILE 26 -0.330 -9.440 -9.195 780 HA ILE 26 HA ILE 26 -2.410 -8.119 -7.899 781 HB ILE 26 HB ILE 26 -1.907 -11.114 -8.241 782 1HG1 ILE 26 HG1 ILE 26 -1.943 -9.585 -10.269 783 2HG1 ILE 26 HG1 ILE 26 -3.075 -10.967 -10.286 784 1HG2 ILE 26 HMG ILE 26 -4.297 -9.631 -7.218 785 2HG2 ILE 26 HMG ILE 26 -4.521 -11.110 -8.189 786 3HG2 ILE 26 HMG ILE 26 -3.582 -11.172 -6.675 787 1HD1 ILE 26 HMD ILE 26 -3.790 -8.092 -9.632 788 2HD1 ILE 26 HMD ILE 26 -4.111 -8.932 -11.173 789 3HD1 ILE 26 HMD ILE 26 -4.916 -9.475 -9.677 790 H THR 27 HN THR 27 0.277 -9.902 -6.571 791 HA THR 27 HA THR 27 -0.897 -10.475 -4.052 792 HB THR 27 HB THR 27 2.059 -10.312 -4.870 793 HG1 THR 27 HG1 THR 27 0.245 -12.292 -4.457 794 1HG2 THR 27 HMG THR 27 1.872 -10.174 -2.442 795 2HG2 THR 27 HMG THR 27 0.859 -11.640 -2.425 796 3HG2 THR 27 HMG THR 27 2.557 -11.737 -2.956 797 H LEU 28 HN LEU 28 1.245 -7.849 -5.152 798 HA LEU 28 HA LEU 28 1.294 -6.373 -2.706 799 1HB LEU 28 HBR LEU 28 1.805 -5.900 -5.609 800 2HB LEU 28 HBS LEU 28 1.538 -4.473 -4.569 801 HG LEU 28 HG LEU 28 3.862 -4.741 -4.727 802 1HD1 LEU 28 HMD LEU 28 2.529 -5.145 -2.247 803 2HD1 LEU 28 HMD LEU 28 3.978 -6.182 -2.254 804 3HD1 LEU 28 HMD LEU 28 4.134 -4.430 -2.543 805 1HD2 LEU 28 HMD LEU 28 3.207 -7.659 -4.366 806 2HD2 LEU 28 HMD LEU 28 4.159 -6.858 -5.642 807 3HD2 LEU 28 HMD LEU 28 4.839 -7.040 -4.004 808 H ALA 29 HN ALA 29 -1.008 -6.639 -5.373 809 HA ALA 29 HA ALA 29 -2.518 -4.340 -4.832 810 1HB ALA 29 HMB ALA 29 -2.597 -5.709 -6.900 811 2HB ALA 29 HMB ALA 29 -3.520 -6.946 -6.008 812 3HB ALA 29 HMB ALA 29 -4.203 -5.316 -6.236 813 H LYS 30 HN LYS 30 -3.034 -7.710 -3.753 814 HA LYS 30 HA LYS 30 -5.251 -7.016 -2.069 815 1HB LYS 30 HBR LYS 30 -3.735 -9.435 -2.776 816 2HB LYS 30 HBS LYS 30 -4.306 -9.406 -1.084 817 1HG LYS 30 HGR LYS 30 -6.604 -8.743 -2.129 818 2HG LYS 30 HGS LYS 30 -5.908 -9.385 -3.644 819 1HD LYS 30 HDS LYS 30 -6.624 -11.366 -3.020 820 2HD LYS 30 HDR LYS 30 -5.292 -11.357 -1.897 821 1HE LYS 30 HES LYS 30 -6.894 -10.189 -0.259 822 2HE LYS 30 HER LYS 30 -8.170 -10.756 -1.373 823 1HZ LYS 30 HZB LYS 30 -6.777 -12.957 -1.045 824 2HZ LYS 30 HZC LYS 30 -6.493 -12.269 0.409 825 3HZ LYS 30 HZA LYS 30 -8.027 -12.549 -0.076 826 H ILE 31 HN ILE 31 -1.791 -7.109 -1.671 827 HA ILE 31 HA ILE 31 -1.692 -6.980 1.223 828 HB ILE 31 HB ILE 31 0.210 -6.181 -1.027 829 1HG1 ILE 31 HG1 ILE 31 0.589 -8.371 1.027 830 2HG1 ILE 31 HG1 ILE 31 -0.403 -8.621 -0.437 831 1HG2 ILE 31 HMG ILE 31 0.642 -4.700 0.867 832 2HG2 ILE 31 HMG ILE 31 0.805 -6.115 1.941 833 3HG2 ILE 31 HMG ILE 31 1.973 -5.860 0.617 834 1HD1 ILE 31 HMD ILE 31 1.556 -8.045 -1.830 835 2HD1 ILE 31 HMD ILE 31 2.536 -7.878 -0.349 836 3HD1 ILE 31 HMD ILE 31 1.847 -9.464 -0.789 837 H LEU 32 HN LEU 32 -0.836 -4.428 -1.107 838 HA LEU 32 HA LEU 32 -0.917 -2.429 0.717 839 1HB LEU 32 HBR LEU 32 -1.127 -2.564 -2.269 840 2HB LEU 32 HBS LEU 32 -1.265 -0.978 -1.458 841 HG LEU 32 HG LEU 32 0.996 -1.779 -0.321 842 1HD1 LEU 32 HMD LEU 32 0.961 -3.978 -1.475 843 2HD1 LEU 32 HMD LEU 32 1.044 -3.129 -3.039 844 3HD1 LEU 32 HMD LEU 32 2.393 -3.000 -1.882 845 1HD2 LEU 32 HMD LEU 32 0.395 -0.491 -2.969 846 2HD2 LEU 32 HMD LEU 32 0.976 0.240 -1.451 847 3HD2 LEU 32 HMD LEU 32 2.087 -0.722 -2.459 848 H GLU 33 HN GLU 33 -3.640 -3.687 -1.094 849 HA GLU 33 HA GLU 33 -5.438 -1.578 -0.331 850 1HB GLU 33 HBR GLU 33 -5.597 -2.982 -2.346 851 2HB GLU 33 HBS GLU 33 -5.728 -4.354 -1.389 852 1HG GLU 33 HGS GLU 33 -7.785 -2.840 -0.376 853 2HG GLU 33 HGR GLU 33 -7.927 -2.532 -2.128 854 H GLU 34 HN GLU 34 -4.531 -4.705 1.021 855 HA GLU 34 HA GLU 34 -6.411 -4.753 3.213 856 1HB GLU 34 HBR GLU 34 -3.970 -6.073 2.309 857 2HB GLU 34 HBS GLU 34 -3.890 -5.720 3.946 858 1HG GLU 34 HGS GLU 34 -6.258 -7.141 2.782 859 2HG GLU 34 HGR GLU 34 -4.887 -8.036 3.492 860 H MET 35 HN MET 35 -3.318 -3.157 2.528 861 HA MET 35 HA MET 35 -3.034 -2.080 5.152 862 1HB MET 35 HBS MET 35 -1.550 -2.102 2.665 863 2HB MET 35 HBR MET 35 -1.529 -0.479 3.413 864 1HG MET 35 HGS MET 35 -0.899 -1.637 5.606 865 2HG MET 35 HGR MET 35 -0.674 -3.121 4.647 866 1HE MET 35 HME MET 35 1.344 -1.445 6.427 867 2HE MET 35 HME MET 35 2.639 -0.589 5.553 868 3HE MET 35 HME MET 35 1.065 0.204 5.812 869 H GLY 36 HN GLY 36 -4.399 -0.840 2.131 870 1HA GLY 36 HAR GLY 36 -4.732 1.838 3.014 871 2HA GLY 36 HAS GLY 36 -5.564 1.075 1.631 872 H ARG 37 HN ARG 37 -6.912 -0.983 2.983 873 HA ARG 37 HA ARG 37 -9.174 0.257 4.220 874 1HB ARG 37 HBR ARG 37 -8.399 -2.364 3.409 875 2HB ARG 37 HBS ARG 37 -8.864 -2.437 5.133 876 1HG ARG 37 HGS ARG 37 -10.875 -0.906 4.015 877 2HG ARG 37 HGR ARG 37 -10.520 -2.098 2.733 878 1HD ARG 37 HDS ARG 37 -11.780 -3.524 3.842 879 2HD ARG 37 HDR ARG 37 -10.499 -3.569 5.086 880 HE ARG 37 HE ARG 37 -13.021 -2.033 5.201 881 1HH1 ARG 37 HH1 ARG 37 -9.865 -2.661 6.642 882 2HH1 ARG 37 HH1 ARG 37 -10.386 -2.231 8.237 883 1HH2 ARG 37 HH2 ARG 37 -13.700 -1.603 7.321 884 2HH2 ARG 37 HH2 ARG 37 -12.556 -1.630 8.621 885 H ASP 38 HN ASP 38 -6.147 -1.133 5.414 886 HA ASP 38 HA ASP 38 -6.832 -1.004 8.158 887 1HB ASP 38 HBS ASP 38 -4.933 -2.017 8.473 888 2HB ASP 38 HBR ASP 38 -4.771 -2.029 6.697 889 H ILE 39 HN ILE 39 -4.757 1.253 6.299 890 HA ILE 39 HA ILE 39 -4.441 3.005 8.571 891 HB ILE 39 HB ILE 39 -3.948 3.686 5.635 892 1HG1 ILE 39 HG1 ILE 39 -1.849 2.459 7.430 893 2HG1 ILE 39 HG1 ILE 39 -2.981 1.430 6.511 894 1HG2 ILE 39 HMG ILE 39 -2.658 4.669 8.191 895 2HG2 ILE 39 HMG ILE 39 -2.137 5.093 6.538 896 3HG2 ILE 39 HMG ILE 39 -3.752 5.582 7.118 897 1HD1 ILE 39 HMD ILE 39 -1.300 3.565 5.192 898 2HD1 ILE 39 HMD ILE 39 -0.712 1.901 5.450 899 3HD1 ILE 39 HMD ILE 39 -2.152 2.191 4.437 900 H ALA 40 HN ALA 40 -6.873 2.531 6.195 901 HA ALA 40 HA ALA 40 -8.057 5.171 6.181 902 1HB ALA 40 HMB ALA 40 -8.509 3.386 4.500 903 2HB ALA 40 HMB ALA 40 -9.383 2.480 5.761 904 3HB ALA 40 HMB ALA 40 -9.970 4.082 5.246 905 H SER 41 HN SER 41 -9.381 2.171 7.603 906 HA SER 41 HA SER 41 -11.014 3.452 9.437 907 1HB SER 41 HBS SER 41 -10.632 0.873 8.685 908 2HB SER 41 HBR SER 41 -9.986 0.840 10.352 909 HG SER 41 HG SER 41 -12.579 1.340 9.262 910 H GLU 42 HN GLU 42 -7.618 3.077 9.542 911 HA GLU 42 HA GLU 42 -7.416 3.497 12.418 912 1HB GLU 42 HBR GLU 42 -5.626 3.099 10.063 913 2HB GLU 42 HBS GLU 42 -4.998 3.951 11.365 914 1HG GLU 42 HGS GLU 42 -4.493 1.523 11.474 915 2HG GLU 42 HGR GLU 42 -5.230 2.162 12.968 916 H ALA 43 HN ALA 43 -6.911 5.390 9.439 917 HA ALA 43 HA ALA 43 -6.367 7.892 10.808 918 1HB ALA 43 HMB ALA 43 -7.095 7.087 7.999 919 2HB ALA 43 HMB ALA 43 -7.080 8.796 8.505 920 3HB ALA 43 HMB ALA 43 -5.593 7.819 8.619 921 H ILE 44 HN ILE 44 -9.118 5.927 10.205 922 HA ILE 44 HA ILE 44 -10.995 8.158 10.377 923 HB ILE 44 HB ILE 44 -11.314 5.151 9.945 924 1HG1 ILE 44 HG1 ILE 44 -11.905 7.381 7.984 925 2HG1 ILE 44 HG1 ILE 44 -10.255 6.732 8.203 926 1HG2 ILE 44 HMG ILE 44 -13.442 7.285 10.092 927 2HG2 ILE 44 HMG ILE 44 -13.670 5.740 9.230 928 3HG2 ILE 44 HMG ILE 44 -13.341 5.743 10.983 929 1HD1 ILE 44 HMD ILE 44 -11.627 4.429 7.843 930 2HD1 ILE 44 HMD ILE 44 -12.623 5.546 6.872 931 3HD1 ILE 44 HMD ILE 44 -10.885 5.363 6.516 932 H LYS 45 HN LYS 45 -10.514 5.074 12.147 933 HA LYS 45 HA LYS 45 -11.920 5.758 14.495 934 1HB LYS 45 HBR LYS 45 -10.884 3.507 13.839 935 2HB LYS 45 HBS LYS 45 -9.353 4.163 14.487 936 1HG LYS 45 HGR LYS 45 -9.992 3.854 16.624 937 2HG LYS 45 HGS LYS 45 -11.635 4.486 16.319 938 1HD LYS 45 HDS LYS 45 -11.090 1.842 15.151 939 2HD LYS 45 HDR LYS 45 -10.976 1.902 16.888 940 1HE LYS 45 HES LYS 45 -13.168 1.729 17.021 941 2HE LYS 45 HER LYS 45 -13.281 3.350 16.280 942 1HZ LYS 45 HZA LYS 45 -12.842 1.183 14.453 943 2HZ LYS 45 HZB LYS 45 -14.292 1.158 15.206 944 3HZ LYS 45 HZC LYS 45 -13.846 2.466 14.335 945 H LEU 46 HN LEU 46 -8.920 6.906 13.210 946 HA LEU 46 HA LEU 46 -7.961 8.207 15.621 947 1HB LEU 46 HBR LEU 46 -7.384 8.164 12.703 948 2HB LEU 46 HBS LEU 46 -6.934 9.646 13.595 949 HG LEU 46 HG LEU 46 -6.029 6.887 14.432 950 1HD1 LEU 46 HMD LEU 46 -4.996 8.737 12.327 951 2HD1 LEU 46 HMD LEU 46 -3.811 7.942 13.394 952 3HD1 LEU 46 HMD LEU 46 -4.937 6.959 12.425 953 1HD2 LEU 46 HMD LEU 46 -5.638 9.705 15.264 954 2HD2 LEU 46 HMD LEU 46 -5.560 8.200 16.215 955 3HD2 LEU 46 HMD LEU 46 -4.168 8.698 15.219 956 H ALA 47 HN ALA 47 -9.758 9.276 12.710 957 HA ALA 47 HA ALA 47 -10.110 11.926 13.516 958 1HB ALA 47 HMB ALA 47 -10.608 10.572 11.270 959 2HB ALA 47 HMB ALA 47 -12.268 10.653 11.912 960 3HB ALA 47 HMB ALA 47 -11.346 12.153 11.633 961 H ARG 48 HN ARG 48 -11.838 9.035 14.434 962 HA ARG 48 HA ARG 48 -14.014 10.376 15.819 963 1HB ARG 48 HBR ARG 48 -13.986 7.944 15.075 964 2HB ARG 48 HBS ARG 48 -12.864 7.644 16.434 965 1HG ARG 48 HGS ARG 48 -15.215 7.077 16.969 966 2HG ARG 48 HGR ARG 48 -14.543 8.345 18.033 967 1HD ARG 48 HDS ARG 48 -16.892 8.692 17.168 968 2HD ARG 48 HDR ARG 48 -15.737 10.038 16.952 969 HE ARG 48 HE ARG 48 -15.471 9.062 14.585 970 1HH1 ARG 48 HH1 ARG 48 -18.469 9.216 16.435 971 2HH1 ARG 48 HH1 ARG 48 -19.470 9.049 15.033 972 1HH2 ARG 48 HH2 ARG 48 -16.811 8.716 12.790 973 2HH2 ARG 48 HH2 ARG 48 -18.534 8.768 12.969 974 H HIS 49 HN HIS 49 -10.798 9.083 16.642 975 HA HIS 49 HA HIS 49 -10.723 9.860 19.348 976 1HB HIS 49 HBS HIS 49 -8.945 8.516 17.983 977 2HB HIS 49 HBR HIS 49 -8.275 10.126 17.590 978 HD1 HIS 49 HD1 HIS 49 -7.766 11.659 19.895 979 HD2 HIS 49 HD2 HIS 49 -8.011 7.520 20.292 980 HE1 HIS 49 HE1 HIS 49 -6.522 11.076 21.991 981 HE2 HIS 49 HE2 HIS 49 -6.648 8.570 22.224 982 H ALA 50 HN ALA 50 -10.110 11.689 16.373 983 HA ALA 50 HA ALA 50 -9.396 14.149 17.482 984 1HB ALA 50 HMB ALA 50 -10.264 13.137 14.958 985 2HB ALA 50 HMB ALA 50 -11.164 14.634 15.312 986 3HB ALA 50 HMB ALA 50 -9.382 14.640 15.328 987 H GLY 51 HN GLY 51 -12.648 12.803 16.890 988 1HA GLY 51 HAR GLY 51 -14.523 13.491 18.402 989 2HA GLY 51 HAS GLY 51 -13.823 15.131 18.356 990 H ARG 52 HN ARG 52 -13.868 12.965 15.576 991 HA ARG 52 HA ARG 52 -15.134 12.870 13.655 992 1HB ARG 52 HBR ARG 52 -17.087 14.810 14.920 993 2HB ARG 52 HBS ARG 52 -17.336 13.745 13.506 994 1HG ARG 52 HGS ARG 52 -17.901 11.984 14.781 995 2HG ARG 52 HGR ARG 52 -16.620 12.316 15.981 996 1HD ARG 52 HDS ARG 52 -18.065 13.252 17.352 997 2HD ARG 52 HDR ARG 52 -18.631 14.363 16.073 998 HE ARG 52 HE ARG 52 -19.727 11.701 15.804 999 1HH1 ARG 52 HH1 ARG 52 -20.167 14.920 17.175 1000 2HH1 ARG 52 HH1 ARG 52 -21.831 14.645 17.565 1001 1HH2 ARG 52 HH2 ARG 52 -21.870 11.335 16.446 1002 2HH2 ARG 52 HH2 ARG 52 -22.796 12.617 17.152 1003 H LYS 53 HN LYS 53 -13.625 13.834 12.419 1004 HA LYS 53 HA LYS 53 -14.361 16.435 11.330 1005 1HB LYS 53 HBR LYS 53 -12.091 16.132 13.218 1006 2HB LYS 53 HBS LYS 53 -11.735 16.983 11.688 1007 1HG LYS 53 HGR LYS 53 -12.561 18.844 12.610 1008 2HG LYS 53 HGS LYS 53 -14.171 18.069 12.605 1009 1HD LYS 53 HDS LYS 53 -13.841 17.204 14.813 1010 2HD LYS 53 HDR LYS 53 -12.179 17.725 14.825 1011 1HE LYS 53 HES LYS 53 -12.805 19.603 15.793 1012 2HE LYS 53 HER LYS 53 -13.624 20.038 14.266 1013 1HZ LYS 53 HZA LYS 53 -15.325 18.345 15.507 1014 2HZ LYS 53 HZB LYS 53 -14.749 19.251 16.738 1015 3HZ LYS 53 HZC LYS 53 -15.458 19.972 15.456 1016 H THR 54 HN THR 54 -12.149 17.050 9.937 1017 HA THR 54 HA THR 54 -12.421 15.093 7.846 1018 HB THR 54 HB THR 54 -10.819 17.708 7.992 1019 HG1 THR 54 HG1 THR 54 -13.103 16.865 6.785 1020 1HG2 THR 54 HMG THR 54 -11.049 15.703 5.813 1021 2HG2 THR 54 HMG THR 54 -11.211 17.419 5.359 1022 3HG2 THR 54 HMG THR 54 -9.745 16.855 6.201 1023 H ILE 55 HN ILE 55 -11.123 13.529 7.243 1024 HA ILE 55 HA ILE 55 -8.533 13.058 8.526 1025 HB ILE 55 HB ILE 55 -10.007 11.659 6.242 1026 1HG1 ILE 55 HG1 ILE 55 -9.479 10.516 8.987 1027 2HG1 ILE 55 HG1 ILE 55 -10.832 11.652 8.722 1028 1HG2 ILE 55 HMG ILE 55 -7.313 11.559 6.570 1029 2HG2 ILE 55 HMG ILE 55 -7.840 10.202 7.602 1030 3HG2 ILE 55 HMG ILE 55 -8.308 10.248 5.881 1031 1HD1 ILE 55 HMD ILE 55 -10.601 9.328 6.867 1032 2HD1 ILE 55 HMD ILE 55 -11.121 9.007 8.544 1033 3HD1 ILE 55 HMD ILE 55 -12.046 10.142 7.525 1034 H LYS 56 HN LYS 56 -6.573 13.441 7.683 1035 HA LYS 56 HA LYS 56 -6.376 14.786 5.069 1036 1HB LYS 56 HBR LYS 56 -6.395 16.282 7.470 1037 2HB LYS 56 HBS LYS 56 -4.690 16.180 6.943 1038 1HG LYS 56 HGR LYS 56 -5.549 16.912 4.628 1039 2HG LYS 56 HGS LYS 56 -7.064 17.351 5.468 1040 1HD LYS 56 HDS LYS 56 -5.641 19.282 5.205 1041 2HD LYS 56 HDR LYS 56 -5.941 18.889 6.875 1042 1HE LYS 56 HES LYS 56 -3.607 19.566 6.426 1043 2HE LYS 56 HER LYS 56 -3.784 17.952 7.170 1044 1HZ LYS 56 HZC LYS 56 -3.755 17.253 4.684 1045 2HZ LYS 56 HZA LYS 56 -2.938 18.653 4.489 1046 3HZ LYS 56 HZB LYS 56 -2.361 17.505 5.497 1047 H ALA 57 HN ALA 57 -3.856 15.460 4.942 1048 HA ALA 57 HA ALA 57 -2.362 13.114 4.818 1049 1HB ALA 57 HMB ALA 57 -1.371 15.968 5.069 1050 2HB ALA 57 HMB ALA 57 -0.420 14.571 4.502 1051 3HB ALA 57 HMB ALA 57 -1.829 15.130 3.565 1052 H GLU 58 HN GLU 58 -2.887 15.294 7.497 1053 HA GLU 58 HA GLU 58 -0.749 14.228 9.113 1054 1HB GLU 58 HBR GLU 58 -2.251 16.476 9.041 1055 2HB GLU 58 HBS GLU 58 -3.150 15.598 10.154 1056 1HG GLU 58 HGS GLU 58 -1.052 15.141 11.488 1057 2HG GLU 58 HGR GLU 58 -0.255 16.443 10.564 1058 H ASP 59 HN ASP 59 -4.257 13.705 8.861 1059 HA ASP 59 HA ASP 59 -4.316 11.896 11.070 1060 1HB ASP 59 HBS ASP 59 -6.203 13.243 9.433 1061 2HB ASP 59 HBR ASP 59 -6.605 11.501 9.452 1062 H ILE 60 HN ILE 60 -3.995 11.506 7.592 1063 HA ILE 60 HA ILE 60 -4.045 8.627 7.533 1064 HB ILE 60 HB ILE 60 -2.701 10.705 5.740 1065 1HG1 ILE 60 HG1 ILE 60 -5.148 10.842 5.866 1066 2HG1 ILE 60 HG1 ILE 60 -4.585 10.350 4.244 1067 1HG2 ILE 60 HMG ILE 60 -1.751 8.283 5.740 1068 2HG2 ILE 60 HMG ILE 60 -3.247 7.895 4.851 1069 3HG2 ILE 60 HMG ILE 60 -2.109 9.103 4.197 1070 1HD1 ILE 60 HMD ILE 60 -5.041 7.957 5.654 1071 2HD1 ILE 60 HMD ILE 60 -6.419 9.024 6.036 1072 3HD1 ILE 60 HMD ILE 60 -6.019 8.657 4.337 1073 H GLU 61 HN GLU 61 -1.327 10.970 7.505 1074 HA GLU 61 HA GLU 61 0.696 9.100 7.828 1075 1HB GLU 61 HBR GLU 61 0.368 12.014 8.453 1076 2HB GLU 61 HBS GLU 61 1.725 11.212 9.027 1077 1HG GLU 61 HGS GLU 61 2.705 10.799 7.040 1078 2HG GLU 61 HGR GLU 61 1.187 10.776 6.102 1079 H LEU 62 HN LEU 62 -1.091 10.912 10.330 1080 HA LEU 62 HA LEU 62 0.111 9.792 12.608 1081 1HB LEU 62 HBR LEU 62 -1.343 11.705 12.657 1082 2HB LEU 62 HBS LEU 62 -2.717 10.733 12.058 1083 HG LEU 62 HG LEU 62 -2.558 9.411 14.206 1084 1HD1 LEU 62 HMD LEU 62 -0.268 11.106 14.535 1085 2HD1 LEU 62 HMD LEU 62 -1.458 11.486 15.805 1086 3HD1 LEU 62 HMD LEU 62 -0.872 9.815 15.603 1087 1HD2 LEU 62 HMD LEU 62 -4.212 11.191 13.669 1088 2HD2 LEU 62 HMD LEU 62 -3.838 11.078 15.407 1089 3HD2 LEU 62 HMD LEU 62 -3.126 12.384 14.426 1090 H ALA 63 HN ALA 63 -2.738 8.666 10.759 1091 HA ALA 63 HA ALA 63 -3.213 6.312 12.123 1092 1HB ALA 63 HMB ALA 63 -3.752 7.349 9.412 1093 2HB ALA 63 HMB ALA 63 -3.804 5.575 9.578 1094 3HB ALA 63 HMB ALA 63 -4.840 6.597 10.607 1095 H VAL 64 HN VAL 64 -0.839 6.930 9.559 1096 HA VAL 64 HA VAL 64 -0.380 4.125 9.271 1097 HB VAL 64 HB VAL 64 -0.406 6.276 7.658 1098 1HG1 VAL 64 HMG VAL 64 2.542 5.628 7.931 1099 2HG1 VAL 64 HMG VAL 64 1.811 6.463 6.539 1100 3HG1 VAL 64 HMG VAL 64 1.731 7.196 8.158 1101 1HG2 VAL 64 HMG VAL 64 -0.624 3.762 7.227 1102 2HG2 VAL 64 HMG VAL 64 -0.064 4.814 5.904 1103 3HG2 VAL 64 HMG VAL 64 1.104 3.814 6.802 1104 H ARG 65 HN ARG 65 1.951 6.778 9.926 1105 HA ARG 65 HA ARG 65 4.033 5.196 10.816 1106 1HB ARG 65 HBR ARG 65 4.944 7.118 11.909 1107 2HB ARG 65 HBS ARG 65 4.163 7.631 10.385 1108 1HG ARG 65 HGS ARG 65 3.442 9.295 11.781 1109 2HG ARG 65 HGR ARG 65 2.118 8.115 12.003 1110 1HD ARG 65 HDS ARG 65 2.610 7.817 14.136 1111 2HD ARG 65 HDR ARG 65 4.351 7.626 13.790 1112 HE ARG 65 HE ARG 65 2.960 10.088 14.560 1113 1HH1 ARG 65 HH1 ARG 65 5.842 8.757 13.027 1114 2HH1 ARG 65 HH1 ARG 65 6.857 10.055 13.559 1115 1HH2 ARG 65 HH2 ARG 65 4.346 11.698 15.350 1116 2HH2 ARG 65 HH2 ARG 65 6.012 11.720 14.874 1117 H ARG 66 HN ARG 66 1.105 6.077 12.510 1118 HA ARG 66 HA ARG 66 1.992 4.932 15.049 1119 1HB ARG 66 HBR ARG 66 0.202 6.774 14.675 1120 2HB ARG 66 HBS ARG 66 -0.882 5.410 14.277 1121 1HG ARG 66 HGS ARG 66 0.641 5.742 16.885 1122 2HG ARG 66 HGR ARG 66 -1.079 6.153 16.632 1123 1HD ARG 66 HDS ARG 66 -1.192 3.682 15.753 1124 2HD ARG 66 HDR ARG 66 0.268 3.498 16.765 1125 HE ARG 66 HE ARG 66 -1.053 4.107 18.692 1126 1HH1 ARG 66 HH1 ARG 66 -2.978 3.904 15.746 1127 2HH1 ARG 66 HH1 ARG 66 -4.437 3.520 16.595 1128 1HH2 ARG 66 HH2 ARG 66 -2.953 3.485 19.759 1129 2HH2 ARG 66 HH2 ARG 66 -4.425 3.287 18.867 1130 H PHE 67 HN PHE 67 0.334 3.926 12.125 1131 HA PHE 67 HA PHE 67 -0.713 1.500 12.933 1132 1HB PHE 67 HBR PHE 67 -0.851 2.565 10.590 1133 2HB PHE 67 HBS PHE 67 0.708 1.754 10.263 1134 HD1 PHE 67 HD1 PHE 67 -2.438 0.880 11.998 1135 HD2 PHE 67 HD2 PHE 67 0.404 -0.279 9.041 1136 HE1 PHE 67 HE1 PHE 67 -3.747 -1.149 11.563 1137 HE2 PHE 67 HE2 PHE 67 -0.902 -2.330 8.583 1138 HZ PHE 67 HZ PHE 67 -2.915 -2.815 9.945 1139 H LYS 68 HN LYS 68 2.613 2.175 11.829 1140 HA LYS 68 HA LYS 68 3.409 -0.526 12.820 1141 1HB LYS 68 HBR LYS 68 3.435 0.435 10.187 1142 2HB LYS 68 HBS LYS 68 5.127 0.563 10.747 1143 1HG LYS 68 HGR LYS 68 5.184 -1.585 9.967 1144 2HG LYS 68 HGS LYS 68 4.603 -1.918 11.623 1145 1HD LYS 68 HDS LYS 68 3.082 -3.134 10.521 1146 2HD LYS 68 HDR LYS 68 2.256 -1.600 10.554 1147 1HE LYS 68 HES LYS 68 1.981 -2.346 8.368 1148 2HE LYS 68 HER LYS 68 3.282 -1.124 8.289 1149 1HZ LYS 68 HZA LYS 68 4.863 -2.933 8.324 1150 2HZ LYS 68 HZB LYS 68 3.661 -4.038 8.355 1151 3HZ LYS 68 HZC LYS 68 3.852 -3.075 7.050 1152 H LYS 69 HN LYS 69 5.202 2.259 11.496 1153 HA LYS 69 HA LYS 69 7.010 2.053 13.851 1154 1HB LYS 69 HBR LYS 69 8.643 3.157 12.196 1155 2HB LYS 69 HBS LYS 69 8.251 1.426 11.993 1156 1HG LYS 69 HGR LYS 69 6.517 2.168 10.269 1157 2HG LYS 69 HGS LYS 69 7.281 3.782 10.344 1158 1HD LYS 69 HDS LYS 69 9.331 1.830 10.014 1159 2HD LYS 69 HDR LYS 69 8.060 1.469 8.878 1160 1HE LYS 69 HES LYS 69 8.813 3.041 7.534 1161 2HE LYS 69 HER LYS 69 8.378 4.250 8.775 1162 1HZ LYS 69 HZB LYS 69 10.917 2.790 8.843 1163 2HZ LYS 69 HZC LYS 69 10.749 4.193 8.024 1164 3HZ LYS 69 HZA LYS 69 10.515 4.157 9.640 No H/Q in entry = 1164 Start of MODEL 13 Raw file had 1198 H/Q atoms Start of MODEL 13 1 1H MET 1 HN MET 1 -0.245 10.853 -12.226 2 2H MET 1 HNB MET 1 0.158 12.397 -11.873 3 3H MET 1 HNC MET 1 0.453 11.796 -13.362 4 HA MET 1 HA MET 1 2.164 10.483 -12.724 5 1HB MET 1 HBS MET 1 2.404 12.881 -10.887 6 2HB MET 1 HBR MET 1 3.715 11.954 -11.668 7 1HG MET 1 HGS MET 1 3.088 12.770 -13.854 8 2HG MET 1 HGR MET 1 1.577 13.461 -13.215 9 1HE MET 1 HME MET 1 4.748 13.884 -14.385 10 2HE MET 1 HME MET 1 5.257 15.543 -13.977 11 3HE MET 1 HME MET 1 5.784 14.175 -12.964 12 H GLU 2 HN GLU 2 -0.191 11.137 -10.321 13 HA GLU 2 HA GLU 2 1.216 9.394 -8.344 14 1HB GLU 2 HBR GLU 2 1.152 11.803 -7.880 15 2HB GLU 2 HBS GLU 2 -0.502 11.827 -8.166 16 1HG GLU 2 HGS GLU 2 -0.301 11.921 -5.827 17 2HG GLU 2 HGR GLU 2 -0.960 10.304 -6.192 18 H LEU 3 HN LEU 3 0.041 7.890 -7.242 19 HA LEU 3 HA LEU 3 -1.859 6.573 -8.199 20 1HB LEU 3 HBS LEU 3 -0.955 7.019 -5.451 21 2HB LEU 3 HBR LEU 3 -2.463 6.062 -5.639 22 HG LEU 3 HG LEU 3 -1.156 4.786 -7.416 23 1HD1 LEU 3 HMD LEU 3 0.966 6.423 -6.113 24 2HD1 LEU 3 HMD LEU 3 1.369 4.807 -6.749 25 3HD1 LEU 3 HMD LEU 3 0.672 6.042 -7.829 26 1HD2 LEU 3 HMD LEU 3 -1.016 4.574 -4.453 27 2HD2 LEU 3 HMD LEU 3 -1.454 3.342 -5.660 28 3HD2 LEU 3 HMD LEU 3 0.259 3.678 -5.313 29 HA PRO 4 HA PRO 4 -5.711 8.622 -8.355 30 1HB PRO 4 HBR PRO 4 -7.291 6.471 -8.601 31 2HB PRO 4 HBS PRO 4 -6.562 7.248 -9.850 32 1HG PRO 4 HGR PRO 4 -5.879 4.782 -8.717 33 2HG PRO 4 HGS PRO 4 -5.511 5.388 -10.228 34 1HD PRO 4 HDS PRO 4 -3.797 5.228 -8.166 35 2HD PRO 4 HDR PRO 4 -3.564 6.126 -9.535 36 H ILE 5 HN ILE 5 -7.300 9.454 -7.190 37 HA ILE 5 HA ILE 5 -7.188 8.605 -4.388 38 HB ILE 5 HB ILE 5 -8.279 10.772 -3.938 39 1HG1 ILE 5 HG1 ILE 5 -8.203 12.069 -6.472 40 2HG1 ILE 5 HG1 ILE 5 -9.056 10.517 -6.702 41 1HG2 ILE 5 HMG ILE 5 -5.784 10.605 -5.517 42 2HG2 ILE 5 HMG ILE 5 -6.505 12.228 -5.347 43 3HG2 ILE 5 HMG ILE 5 -6.089 11.281 -3.895 44 1HD1 ILE 5 HMD ILE 5 -10.427 11.216 -4.623 45 2HD1 ILE 5 HMD ILE 5 -9.788 12.850 -4.943 46 3HD1 ILE 5 HMD ILE 5 -10.762 12.015 -6.183 47 H ALA 6 HN ALA 6 -9.301 8.390 -7.107 48 HA ALA 6 HA ALA 6 -11.838 8.220 -5.734 49 1HB ALA 6 HMB ALA 6 -10.773 7.747 -8.448 50 2HB ALA 6 HMB ALA 6 -12.139 6.707 -7.972 51 3HB ALA 6 HMB ALA 6 -12.308 8.480 -7.920 52 HA PRO 7 HA PRO 7 -10.794 3.499 -5.961 53 1HB PRO 7 HBR PRO 7 -8.165 3.009 -6.368 54 2HB PRO 7 HBS PRO 7 -9.373 2.716 -7.440 55 1HG PRO 7 HGR PRO 7 -7.487 4.775 -7.491 56 2HG PRO 7 HGS PRO 7 -8.440 4.188 -8.729 57 1HD PRO 7 HDS PRO 7 -8.839 6.512 -7.463 58 2HD PRO 7 HDR PRO 7 -9.963 5.735 -8.395 59 H ILE 8 HN ILE 8 -7.851 5.035 -4.900 60 HA ILE 8 HA ILE 8 -7.607 3.645 -2.518 61 HB ILE 8 HB ILE 8 -6.739 6.498 -3.190 62 1HG1 ILE 8 HG1 ILE 8 -5.362 3.799 -3.442 63 2HG1 ILE 8 HG1 ILE 8 -5.907 4.870 -4.764 64 1HG2 ILE 8 HMG ILE 8 -6.770 5.613 -0.675 65 2HG2 ILE 8 HMG ILE 8 -5.227 4.890 -1.200 66 3HG2 ILE 8 HMG ILE 8 -5.473 6.653 -1.320 67 1HD1 ILE 8 HMD ILE 8 -4.255 6.576 -3.937 68 2HD1 ILE 8 HMD ILE 8 -3.630 5.332 -2.821 69 3HD1 ILE 8 HMD ILE 8 -3.537 5.076 -4.584 70 H GLY 9 HN GLY 9 -9.179 6.818 -3.031 71 1HA GLY 9 HAS GLY 9 -9.936 7.330 -0.433 72 2HA GLY 9 HAR GLY 9 -10.836 7.914 -1.858 73 H ARG 10 HN ARG 10 -11.640 5.383 -2.876 74 HA ARG 10 HA ARG 10 -14.008 5.099 -1.270 75 1HB ARG 10 HBS ARG 10 -14.831 3.679 -3.015 76 2HB ARG 10 HBR ARG 10 -14.016 5.093 -3.745 77 1HG ARG 10 HGS ARG 10 -12.438 3.828 -4.756 78 2HG ARG 10 HGR ARG 10 -12.330 2.680 -3.392 79 1HD ARG 10 HDS ARG 10 -13.547 1.243 -4.524 80 2HD ARG 10 HDR ARG 10 -14.901 2.406 -4.524 81 HE ARG 10 HE ARG 10 -12.861 2.791 -6.597 82 1HH1 ARG 10 HH1 ARG 10 -15.865 1.143 -5.767 83 2HH1 ARG 10 HH1 ARG 10 -16.447 1.151 -7.398 84 1HH2 ARG 10 HH2 ARG 10 -13.713 2.899 -8.695 85 2HH2 ARG 10 HH2 ARG 10 -15.230 2.144 -9.055 86 H ILE 11 HN ILE 11 -11.020 3.372 -1.552 87 HA ILE 11 HA ILE 11 -11.814 0.905 -0.293 88 HB ILE 11 HB ILE 11 -9.145 2.388 -0.421 89 1HG1 ILE 11 HG1 ILE 11 -9.961 -0.109 -1.932 90 2HG1 ILE 11 HG1 ILE 11 -10.319 1.532 -2.540 91 1HG2 ILE 11 HMG ILE 11 -9.784 -0.364 0.642 92 2HG2 ILE 11 HMG ILE 11 -8.150 0.142 0.140 93 3HG2 ILE 11 HMG ILE 11 -8.974 0.988 1.477 94 1HD1 ILE 11 HMD ILE 11 -7.510 1.065 -1.744 95 2HD1 ILE 11 HMD ILE 11 -8.081 0.118 -3.144 96 3HD1 ILE 11 HMD ILE 11 -8.187 1.899 -3.169 97 H ILE 12 HN ILE 12 -10.359 3.942 0.934 98 HA ILE 12 HA ILE 12 -10.404 3.243 3.627 99 HB ILE 12 HB ILE 12 -10.715 6.076 2.525 100 1HG1 ILE 12 HG1 ILE 12 -8.998 5.081 1.230 101 2HG1 ILE 12 HG1 ILE 12 -8.191 6.085 2.468 102 1HG2 ILE 12 HMG ILE 12 -10.768 5.464 5.086 103 2HG2 ILE 12 HMG ILE 12 -8.999 5.388 4.870 104 3HG2 ILE 12 HMG ILE 12 -9.880 6.891 4.485 105 1HD1 ILE 12 HMD ILE 12 -8.523 3.070 2.573 106 2HD1 ILE 12 HMD ILE 12 -7.037 3.948 2.124 107 3HD1 ILE 12 HMD ILE 12 -7.689 4.085 3.780 108 H LYS 13 HN LYS 13 -12.921 4.736 1.636 109 HA LYS 13 HA LYS 13 -14.778 5.293 3.794 110 1HB LYS 13 HBS LYS 13 -14.668 5.867 1.079 111 2HB LYS 13 HBR LYS 13 -15.961 4.640 1.200 112 1HG LYS 13 HGR LYS 13 -17.338 6.009 2.447 113 2HG LYS 13 HGS LYS 13 -15.975 6.939 3.133 114 1HD LYS 13 HDS LYS 13 -16.701 7.122 0.222 115 2HD LYS 13 HDR LYS 13 -17.557 8.037 1.432 116 1HE LYS 13 HES LYS 13 -15.516 9.118 2.165 117 2HE LYS 13 HER LYS 13 -14.581 8.134 1.004 118 1HZ LYS 13 HZA LYS 13 -16.704 9.478 -0.261 119 2HZ LYS 13 HZB LYS 13 -15.753 10.545 0.529 120 3HZ LYS 13 HZC LYS 13 -15.104 9.540 -0.583 121 H ASP 14 HN ASP 14 -14.187 2.626 1.502 122 HA ASP 14 HA ASP 14 -16.214 0.985 2.234 123 1HB ASP 14 HBS ASP 14 -14.586 0.681 0.365 124 2HB ASP 14 HBR ASP 14 -13.467 -0.042 1.557 125 H ALA 15 HN ALA 15 -13.097 1.325 3.858 126 HA ALA 15 HA ALA 15 -13.457 -0.425 6.000 127 1HB ALA 15 HMB ALA 15 -11.682 1.589 5.294 128 2HB ALA 15 HMB ALA 15 -12.389 2.152 6.830 129 3HB ALA 15 HMB ALA 15 -11.605 0.554 6.742 130 H GLY 16 HN GLY 16 -14.657 2.907 5.592 131 1HA GLY 16 HAR GLY 16 -16.926 3.194 6.588 132 2HA GLY 16 HAS GLY 16 -16.226 2.625 8.125 133 H ALA 17 HN ALA 17 -14.106 4.510 6.191 134 HA ALA 17 HA ALA 17 -14.129 6.887 7.802 135 1HB ALA 17 HMB ALA 17 -13.023 6.055 5.152 136 2HB ALA 17 HMB ALA 17 -13.127 7.791 5.536 137 3HB ALA 17 HMB ALA 17 -12.199 6.698 6.594 138 H GLU 18 HN GLU 18 -15.292 8.697 7.653 139 HA GLU 18 HA GLU 18 -17.699 8.530 5.909 140 1HB GLU 18 HBR GLU 18 -18.703 9.845 7.747 141 2HB GLU 18 HBS GLU 18 -18.223 8.274 8.095 142 1HG GLU 18 HGS GLU 18 -16.277 8.864 9.282 143 2HG GLU 18 HGR GLU 18 -16.398 10.592 8.851 144 H ARG 19 HN ARG 19 -15.048 10.581 6.985 145 HA ARG 19 HA ARG 19 -15.565 12.376 4.692 146 1HB ARG 19 HBR ARG 19 -15.945 13.057 7.530 147 2HB ARG 19 HBS ARG 19 -14.843 14.157 6.652 148 1HG ARG 19 HGS ARG 19 -17.091 13.742 4.977 149 2HG ARG 19 HGR ARG 19 -17.719 14.044 6.622 150 1HD ARG 19 HDS ARG 19 -17.473 16.102 5.350 151 2HD ARG 19 HDR ARG 19 -16.398 16.066 6.777 152 HE ARG 19 HE ARG 19 -14.530 15.874 5.346 153 1HH1 ARG 19 HH1 ARG 19 -17.507 15.655 3.471 154 2HH1 ARG 19 HH1 ARG 19 -16.738 16.116 1.991 155 1HH2 ARG 19 HH2 ARG 19 -13.585 16.598 3.418 156 2HH2 ARG 19 HH2 ARG 19 -14.517 16.648 1.959 157 H VAL 20 HN VAL 20 -13.733 11.770 3.672 158 HA VAL 20 HA VAL 20 -11.197 12.404 5.076 159 HB VAL 20 HB VAL 20 -11.474 10.243 2.983 160 1HG1 VAL 20 HMG VAL 20 -9.208 11.432 4.454 161 2HG1 VAL 20 HMG VAL 20 -9.226 9.654 4.381 162 3HG1 VAL 20 HMG VAL 20 -9.261 10.607 2.879 163 1HG2 VAL 20 HMG VAL 20 -11.558 10.033 5.988 164 2HG2 VAL 20 HMG VAL 20 -12.685 9.365 4.783 165 3HG2 VAL 20 HMG VAL 20 -11.052 8.678 4.951 166 H SER 21 HN SER 21 -9.901 13.778 4.084 167 HA SER 21 HA SER 21 -11.078 15.159 1.792 168 1HB SER 21 HBS SER 21 -10.527 16.562 3.592 169 2HB SER 21 HBR SER 21 -8.891 15.862 3.758 170 HG SER 21 HG SER 21 -8.109 17.151 2.388 171 H ASP 22 HN ASP 22 -9.830 15.915 0.010 172 HA ASP 22 HA ASP 22 -8.608 13.744 -1.284 173 1HB ASP 22 HBR ASP 22 -8.748 16.660 -2.030 174 2HB ASP 22 HBS ASP 22 -8.058 15.387 -3.080 175 H ASP 23 HN ASP 23 -7.304 16.029 0.875 176 HA ASP 23 HA ASP 23 -4.533 15.747 0.153 177 1HB ASP 23 HBR ASP 23 -5.706 16.377 2.860 178 2HB ASP 23 HBS ASP 23 -4.022 16.621 2.314 179 H ALA 24 HN ALA 24 -6.619 14.128 2.561 180 HA ALA 24 HA ALA 24 -4.736 12.338 3.488 181 1HB ALA 24 HMB ALA 24 -7.707 12.425 3.403 182 2HB ALA 24 HMB ALA 24 -6.944 10.867 3.810 183 3HB ALA 24 HMB ALA 24 -6.588 12.315 4.786 184 H ARG 25 HN ARG 25 -7.034 11.890 0.793 185 HA ARG 25 HA ARG 25 -6.407 9.216 0.211 186 1HB ARG 25 HBS ARG 25 -7.354 11.442 -1.621 187 2HB ARG 25 HBR ARG 25 -7.257 9.717 -2.081 188 1HG ARG 25 HGS ARG 25 -8.923 9.125 -0.447 189 2HG ARG 25 HGR ARG 25 -8.928 10.783 0.218 190 1HD ARG 25 HDS ARG 25 -9.389 11.024 -2.543 191 2HD ARG 25 HDR ARG 25 -10.412 9.675 -1.970 192 HE ARG 25 HE ARG 25 -10.573 11.978 -0.241 193 1HH1 ARG 25 HH1 ARG 25 -11.907 10.384 -3.089 194 2HH1 ARG 25 HH1 ARG 25 -13.322 11.383 -3.119 195 1HH2 ARG 25 HH2 ARG 25 -12.371 13.351 -0.393 196 2HH2 ARG 25 HH2 ARG 25 -13.586 13.061 -1.594 197 H ILE 26 HN ILE 26 -5.179 12.186 -1.382 198 HA ILE 26 HA ILE 26 -3.134 10.986 -2.874 199 HB ILE 26 HB ILE 26 -3.291 13.774 -1.630 200 1HG1 ILE 26 HG1 ILE 26 -5.131 12.966 -3.187 201 2HG1 ILE 26 HG1 ILE 26 -4.319 14.495 -3.624 202 1HG2 ILE 26 HMG ILE 26 -0.969 13.109 -2.285 203 2HG2 ILE 26 HMG ILE 26 -1.558 12.936 -3.959 204 3HG2 ILE 26 HMG ILE 26 -1.622 14.525 -3.151 205 1HD1 ILE 26 HMD ILE 26 -3.777 11.777 -4.857 206 2HD1 ILE 26 HMD ILE 26 -4.729 13.095 -5.590 207 3HD1 ILE 26 HMD ILE 26 -2.983 13.312 -5.300 208 H THR 27 HN THR 27 -3.349 11.694 0.535 209 HA THR 27 HA THR 27 -0.496 11.613 1.094 210 HB THR 27 HB THR 27 -2.958 11.368 2.911 211 HG1 THR 27 HG1 THR 27 -2.857 13.078 2.134 212 1HG2 THR 27 HMG THR 27 -1.076 10.195 3.955 213 2HG2 THR 27 HMG THR 27 -0.055 11.639 3.735 214 3HG2 THR 27 HMG THR 27 -1.471 11.705 4.815 215 H LEU 28 HN LEU 28 -3.254 9.358 1.399 216 HA LEU 28 HA LEU 28 -1.835 7.118 2.232 217 1HB LEU 28 HBR LEU 28 -4.428 7.783 1.097 218 2HB LEU 28 HBS LEU 28 -3.860 6.189 0.531 219 HG LEU 28 HG LEU 28 -5.198 5.731 2.377 220 1HD1 LEU 28 HMD LEU 28 -2.480 5.166 2.493 221 2HD1 LEU 28 HMD LEU 28 -2.849 5.818 4.110 222 3HD1 LEU 28 HMD LEU 28 -3.765 4.425 3.481 223 1HD2 LEU 28 HMD LEU 28 -4.110 8.308 3.310 224 2HD2 LEU 28 HMD LEU 28 -5.710 7.567 3.565 225 3HD2 LEU 28 HMD LEU 28 -4.333 7.089 4.590 226 H ALA 29 HN ALA 29 -2.099 8.538 -0.966 227 HA ALA 29 HA ALA 29 -1.329 6.165 -2.380 228 1HB ALA 29 HMB ALA 29 -2.298 8.803 -2.968 229 2HB ALA 29 HMB ALA 29 -0.893 8.435 -4.001 230 3HB ALA 29 HMB ALA 29 -2.298 7.338 -3.983 231 H LYS 30 HN LYS 30 0.346 9.256 -1.694 232 HA LYS 30 HA LYS 30 2.896 8.544 -2.640 233 1HB LYS 30 HBS LYS 30 2.278 10.821 -1.942 234 2HB LYS 30 HBR LYS 30 2.209 10.276 -0.242 235 1HG LYS 30 HGR LYS 30 4.587 9.822 -0.231 236 2HG LYS 30 HGS LYS 30 4.702 10.151 -1.983 237 1HD LYS 30 HDS LYS 30 3.853 12.208 0.053 238 2HD LYS 30 HDR LYS 30 5.510 11.942 -0.419 239 1HE LYS 30 HES LYS 30 4.627 12.248 -2.849 240 2HE LYS 30 HER LYS 30 3.256 13.041 -2.024 241 1HZ LYS 30 HZC LYS 30 5.454 14.085 -0.856 242 2HZ LYS 30 HZA LYS 30 5.894 13.986 -2.426 243 3HZ LYS 30 HZB LYS 30 4.547 14.809 -2.007 244 H ILE 31 HN ILE 31 1.220 7.771 0.362 245 HA ILE 31 HA ILE 31 3.361 6.317 1.644 246 HB ILE 31 HB ILE 31 0.317 6.294 1.823 247 1HG1 ILE 31 HG1 ILE 31 2.132 7.003 4.096 248 2HG1 ILE 31 HG1 ILE 31 2.048 8.126 2.708 249 1HG2 ILE 31 HMG ILE 31 1.294 4.011 2.327 250 2HG2 ILE 31 HMG ILE 31 2.093 4.772 3.729 251 3HG2 ILE 31 HMG ILE 31 0.314 4.769 3.609 252 1HD1 ILE 31 HMD ILE 31 -0.607 7.317 3.531 253 2HD1 ILE 31 HMD ILE 31 0.309 7.988 4.907 254 3HD1 ILE 31 HMD ILE 31 0.107 8.948 3.418 255 H LEU 32 HN LEU 32 0.396 4.997 0.169 256 HA LEU 32 HA LEU 32 1.262 2.424 0.214 257 1HB LEU 32 HBS LEU 32 -0.859 3.986 -1.108 258 2HB LEU 32 HBR LEU 32 -0.525 2.399 -1.855 259 HG LEU 32 HG LEU 32 -0.716 1.798 0.836 260 1HD1 LEU 32 HMD LEU 32 -2.659 3.995 0.093 261 2HD1 LEU 32 HMD LEU 32 -2.996 2.799 1.370 262 3HD1 LEU 32 HMD LEU 32 -1.595 3.890 1.517 263 1HD2 LEU 32 HMD LEU 32 -2.196 1.465 -1.664 264 2HD2 LEU 32 HMD LEU 32 -1.844 0.290 -0.372 265 3HD2 LEU 32 HMD LEU 32 -3.244 1.382 -0.225 266 H GLU 33 HN GLU 33 1.729 4.749 -2.399 267 HA GLU 33 HA GLU 33 2.826 2.912 -4.254 268 1HB GLU 33 HBS GLU 33 3.396 4.789 -5.459 269 2HB GLU 33 HBR GLU 33 1.881 5.077 -4.797 270 1HG GLU 33 HGS GLU 33 2.939 7.129 -4.476 271 2HG GLU 33 HGR GLU 33 3.306 6.396 -2.892 272 H GLU 34 HN GLU 34 4.420 5.244 -2.041 273 HA GLU 34 HA GLU 34 7.079 4.438 -2.568 274 1HB GLU 34 HBS GLU 34 6.177 6.439 -1.456 275 2HB GLU 34 HBR GLU 34 5.799 5.570 -0.070 276 1HG GLU 34 HGS GLU 34 8.440 4.894 -0.396 277 2HG GLU 34 HGR GLU 34 8.473 6.527 -1.117 278 H MET 35 HN MET 35 4.557 3.086 -0.534 279 HA MET 35 HA MET 35 6.256 1.138 0.775 280 1HB MET 35 HBS MET 35 3.487 1.933 0.864 281 2HB MET 35 HBR MET 35 3.607 0.169 0.642 282 1HG MET 35 HGS MET 35 3.686 0.412 2.994 283 2HG MET 35 HGR MET 35 5.392 0.246 2.521 284 1HE MET 35 HME MET 35 6.051 1.116 4.663 285 2HE MET 35 HME MET 35 6.089 2.822 5.178 286 3HE MET 35 HME MET 35 4.620 1.847 5.434 287 H GLY 36 HN GLY 36 4.229 1.256 -2.135 288 1HA GLY 36 HAR GLY 36 4.456 -1.467 -2.841 289 2HA GLY 36 HAS GLY 36 4.069 -0.131 -3.961 290 H ARG 37 HN ARG 37 6.398 1.382 -3.769 291 HA ARG 37 HA ARG 37 8.401 -0.016 -5.282 292 1HB ARG 37 HBR ARG 37 7.976 2.531 -5.066 293 2HB ARG 37 HBS ARG 37 8.949 2.406 -3.572 294 1HG ARG 37 HGS ARG 37 10.656 1.189 -5.184 295 2HG ARG 37 HGR ARG 37 9.774 2.105 -6.439 296 1HD ARG 37 HDS ARG 37 11.830 3.188 -5.433 297 2HD ARG 37 HDR ARG 37 10.333 4.160 -5.489 298 HE ARG 37 HE ARG 37 11.003 2.705 -3.002 299 1HH1 ARG 37 HH1 ARG 37 10.990 5.766 -4.750 300 2HH1 ARG 37 HH1 ARG 37 10.901 6.717 -3.305 301 1HH2 ARG 37 HH2 ARG 37 10.759 3.976 -1.141 302 2HH2 ARG 37 HH2 ARG 37 10.771 5.705 -1.262 303 H ASP 38 HN ASP 38 7.710 0.450 -1.873 304 HA ASP 38 HA ASP 38 10.239 -0.384 -0.937 305 1HB ASP 38 HBS ASP 38 7.954 0.691 0.182 306 2HB ASP 38 HBR ASP 38 8.107 -0.915 0.951 307 H ILE 39 HN ILE 39 7.168 -2.201 -1.151 308 HA ILE 39 HA ILE 39 8.329 -4.683 -0.214 309 HB ILE 39 HB ILE 39 5.781 -4.326 -1.856 310 1HG1 ILE 39 HG1 ILE 39 5.922 -4.193 1.170 311 2HG1 ILE 39 HG1 ILE 39 6.033 -2.737 0.140 312 1HG2 ILE 39 HMG ILE 39 6.691 -6.418 0.124 313 2HG2 ILE 39 HMG ILE 39 5.013 -6.266 -0.464 314 3HG2 ILE 39 HMG ILE 39 6.332 -6.621 -1.612 315 1HD1 ILE 39 HMD ILE 39 3.726 -4.665 -0.096 316 2HD1 ILE 39 HMD ILE 39 3.743 -3.364 1.124 317 3HD1 ILE 39 HMD ILE 39 3.827 -2.960 -0.613 318 H ALA 40 HN ALA 40 8.334 -2.912 -3.156 319 HA ALA 40 HA ALA 40 8.732 -5.050 -5.036 320 1HB ALA 40 HMB ALA 40 8.205 -2.620 -5.537 321 2HB ALA 40 HMB ALA 40 9.917 -2.275 -5.187 322 3HB ALA 40 HMB ALA 40 9.488 -3.382 -6.514 323 H SER 41 HN SER 41 11.154 -2.715 -3.805 324 HA SER 41 HA SER 41 13.338 -4.236 -4.688 325 1HB SER 41 HBR SER 41 14.735 -2.750 -3.358 326 2HB SER 41 HBS SER 41 13.472 -1.847 -4.242 327 HG SER 41 HG SER 41 12.213 -1.616 -2.466 328 H GLU 42 HN GLU 42 11.453 -4.431 -1.772 329 HA GLU 42 HA GLU 42 13.145 -6.230 -0.270 330 1HB GLU 42 HBR GLU 42 10.147 -5.862 -0.460 331 2HB GLU 42 HBS GLU 42 10.917 -6.919 0.590 332 1HG GLU 42 HGR GLU 42 11.352 -3.900 0.692 333 2HG GLU 42 HGS GLU 42 10.354 -4.896 1.786 334 H ALA 43 HN ALA 43 10.417 -6.679 -2.563 335 HA ALA 43 HA ALA 43 10.647 -9.543 -2.614 336 1HB ALA 43 HMB ALA 43 9.111 -7.449 -4.067 337 2HB ALA 43 HMB ALA 43 9.299 -9.037 -4.853 338 3HB ALA 43 HMB ALA 43 8.563 -8.926 -3.234 339 H ILE 44 HN ILE 44 12.446 -7.016 -4.047 340 HA ILE 44 HA ILE 44 13.041 -8.449 -6.442 341 HB ILE 44 HB ILE 44 12.921 -5.822 -5.686 342 1HG1 ILE 44 HG1 ILE 44 14.484 -6.079 -8.126 343 2HG1 ILE 44 HG1 ILE 44 13.244 -7.361 -8.002 344 1HG2 ILE 44 HMG ILE 44 15.811 -6.483 -5.560 345 2HG2 ILE 44 HMG ILE 44 15.338 -5.046 -6.502 346 3HG2 ILE 44 HMG ILE 44 14.866 -5.182 -4.788 347 1HD1 ILE 44 HMD ILE 44 11.919 -5.037 -7.219 348 2HD1 ILE 44 HMD ILE 44 12.947 -4.525 -8.584 349 3HD1 ILE 44 HMD ILE 44 11.789 -5.867 -8.793 350 H LYS 45 HN LYS 45 15.216 -7.299 -3.825 351 HA LYS 45 HA LYS 45 17.333 -9.124 -4.367 352 1HB LYS 45 HBS LYS 45 16.889 -7.061 -2.567 353 2HB LYS 45 HBR LYS 45 16.954 -8.517 -1.532 354 1HG LYS 45 HGR LYS 45 19.112 -8.994 -3.072 355 2HG LYS 45 HGS LYS 45 19.094 -7.210 -3.156 356 1HD LYS 45 HDS LYS 45 18.724 -8.314 -0.458 357 2HD LYS 45 HDR LYS 45 20.242 -8.734 -1.203 358 1HE LYS 45 HES LYS 45 19.178 -5.991 -0.611 359 2HE LYS 45 HER LYS 45 20.673 -6.778 -0.035 360 1HZ LYS 45 HZC LYS 45 20.823 -6.770 -2.756 361 2HZ LYS 45 HZA LYS 45 20.252 -5.286 -2.379 362 3HZ LYS 45 HZB LYS 45 21.655 -5.811 -1.728 363 H LEU 46 HN LEU 46 14.198 -9.527 -2.986 364 HA LEU 46 HA LEU 46 14.611 -12.008 -1.584 365 1HB LEU 46 HBS LEU 46 12.441 -10.283 -2.503 366 2HB LEU 46 HBR LEU 46 12.057 -12.018 -2.683 367 HG LEU 46 HG LEU 46 12.372 -12.384 -0.323 368 1HD1 LEU 46 HMD LEU 46 14.124 -10.345 -0.407 369 2HD1 LEU 46 HMD LEU 46 12.709 -9.482 0.246 370 3HD1 LEU 46 HMD LEU 46 13.356 -10.906 1.099 371 1HD2 LEU 46 HMD LEU 46 10.198 -11.450 -1.207 372 2HD2 LEU 46 HMD LEU 46 10.510 -11.158 0.523 373 3HD2 LEU 46 HMD LEU 46 10.753 -9.847 -0.660 374 H ALA 47 HN ALA 47 13.316 -11.319 -4.858 375 HA ALA 47 HA ALA 47 13.445 -13.912 -5.828 376 1HB ALA 47 HMB ALA 47 12.321 -11.951 -6.886 377 2HB ALA 47 HMB ALA 47 13.917 -11.407 -7.461 378 3HB ALA 47 HMB ALA 47 13.255 -12.966 -8.013 379 H ARG 48 HN ARG 48 16.019 -11.664 -5.269 380 HA ARG 48 HA ARG 48 17.778 -12.949 -7.236 381 1HB ARG 48 HBS ARG 48 17.574 -10.502 -7.188 382 2HB ARG 48 HBR ARG 48 18.183 -10.484 -5.507 383 1HG ARG 48 HGS ARG 48 20.351 -11.109 -6.165 384 2HG ARG 48 HGR ARG 48 19.802 -11.650 -7.778 385 1HD ARG 48 HDS ARG 48 20.785 -9.637 -8.252 386 2HD ARG 48 HDR ARG 48 19.068 -9.184 -8.065 387 HE ARG 48 HE ARG 48 21.222 -8.679 -6.081 388 1HH1 ARG 48 HH1 ARG 48 17.861 -8.281 -7.069 389 2HH1 ARG 48 HH1 ARG 48 17.632 -6.861 -6.104 390 1HH2 ARG 48 HH2 ARG 48 20.923 -6.747 -4.934 391 2HH2 ARG 48 HH2 ARG 48 19.364 -5.995 -4.893 392 H HIS 49 HN HIS 49 17.417 -12.566 -3.760 393 HA HIS 49 HA HIS 49 19.855 -13.863 -2.958 394 1HB HIS 49 HBS HIS 49 17.587 -12.837 -1.598 395 2HB HIS 49 HBR HIS 49 17.624 -14.590 -1.250 396 HD1 HIS 49 HD1 HIS 49 20.705 -15.033 -1.068 397 HD2 HIS 49 HD2 HIS 49 18.647 -11.875 0.705 398 HE1 HIS 49 HE1 HIS 49 22.056 -14.339 0.925 399 HE2 HIS 49 HE2 HIS 49 20.804 -12.443 2.015 400 H ALA 50 HN ALA 50 16.665 -14.941 -4.040 401 HA ALA 50 HA ALA 50 17.173 -17.771 -4.001 402 1HB ALA 50 HMB ALA 50 15.043 -16.207 -4.616 403 2HB ALA 50 HMB ALA 50 15.633 -16.624 -6.245 404 3HB ALA 50 HMB ALA 50 15.212 -17.916 -5.092 405 H GLY 51 HN GLY 51 17.771 -15.145 -6.337 406 1HA GLY 51 HAR GLY 51 18.927 -15.072 -8.339 407 2HA GLY 51 HAS GLY 51 19.805 -16.538 -7.827 408 H ARG 52 HN ARG 52 16.311 -15.943 -8.303 409 HA ARG 52 HA ARG 52 16.233 -18.360 -10.048 410 1HB ARG 52 HBS ARG 52 15.306 -18.015 -7.339 411 2HB ARG 52 HBR ARG 52 13.919 -18.303 -8.427 412 1HG ARG 52 HGS ARG 52 14.730 -20.400 -7.490 413 2HG ARG 52 HGR ARG 52 15.003 -20.352 -9.254 414 1HD ARG 52 HDS ARG 52 17.241 -19.251 -7.790 415 2HD ARG 52 HDR ARG 52 16.860 -20.916 -7.266 416 HE ARG 52 HE ARG 52 16.825 -20.988 -10.040 417 1HH1 ARG 52 HH1 ARG 52 19.153 -20.454 -7.446 418 2HH1 ARG 52 HH1 ARG 52 20.517 -20.820 -8.448 419 1HH2 ARG 52 HH2 ARG 52 18.641 -21.334 -11.351 420 2HH2 ARG 52 HH2 ARG 52 20.228 -21.320 -10.658 421 H LYS 53 HN LYS 53 13.481 -18.549 -10.213 422 HA LYS 53 HA LYS 53 13.222 -17.030 -12.556 423 1HB LYS 53 HBR LYS 53 11.567 -18.944 -11.046 424 2HB LYS 53 HBS LYS 53 10.637 -17.765 -12.014 425 1HG LYS 53 HGR LYS 53 11.107 -18.849 -13.914 426 2HG LYS 53 HGS LYS 53 12.857 -18.841 -13.552 427 1HD LYS 53 HDS LYS 53 11.884 -20.754 -11.831 428 2HD LYS 53 HDR LYS 53 10.858 -20.949 -13.226 429 1HE LYS 53 HES LYS 53 13.869 -20.910 -13.374 430 2HE LYS 53 HER LYS 53 12.864 -22.382 -13.245 431 1HZ LYS 53 HZB LYS 53 12.308 -20.459 -15.355 432 2HZ LYS 53 HZC LYS 53 13.568 -21.483 -15.535 433 3HZ LYS 53 HZA LYS 53 12.059 -22.073 -15.330 434 H THR 54 HN THR 54 10.673 -16.124 -12.754 435 HA THR 54 HA THR 54 11.058 -13.466 -12.025 436 HB THR 54 HB THR 54 9.587 -14.305 -13.921 437 HG1 THR 54 HG1 THR 54 9.724 -12.453 -13.389 438 1HG2 THR 54 HMG THR 54 8.242 -15.837 -12.231 439 2HG2 THR 54 HMG THR 54 7.245 -14.369 -12.069 440 3HG2 THR 54 HMG THR 54 7.468 -15.123 -13.668 441 H ILE 55 HN ILE 55 9.270 -12.146 -10.895 442 HA ILE 55 HA ILE 55 9.350 -12.943 -8.077 443 HB ILE 55 HB ILE 55 8.212 -10.489 -9.501 444 1HG1 ILE 55 HG1 ILE 55 10.794 -11.016 -7.994 445 2HG1 ILE 55 HG1 ILE 55 10.587 -10.566 -9.710 446 1HG2 ILE 55 HMG ILE 55 7.044 -10.999 -7.361 447 2HG2 ILE 55 HMG ILE 55 8.612 -10.845 -6.525 448 3HG2 ILE 55 HMG ILE 55 7.912 -9.442 -7.374 449 1HD1 ILE 55 HMD ILE 55 9.445 -8.607 -7.852 450 2HD1 ILE 55 HMD ILE 55 11.200 -8.847 -7.644 451 3HD1 ILE 55 HMD ILE 55 10.547 -8.380 -9.237 452 H LYS 56 HN LYS 56 7.687 -13.616 -6.867 453 HA LYS 56 HA LYS 56 5.084 -14.167 -8.187 454 1HB LYS 56 HBR LYS 56 5.213 -16.515 -7.534 455 2HB LYS 56 HBS LYS 56 6.498 -16.082 -8.698 456 1HG LYS 56 HGR LYS 56 8.113 -15.935 -6.811 457 2HG LYS 56 HGS LYS 56 6.821 -16.463 -5.696 458 1HD LYS 56 HDS LYS 56 7.506 -18.137 -8.080 459 2HD LYS 56 HDR LYS 56 8.564 -18.137 -6.695 460 1HE LYS 56 HES LYS 56 5.939 -18.414 -5.685 461 2HE LYS 56 HER LYS 56 6.121 -19.531 -7.068 462 1HZ LYS 56 HZA LYS 56 8.422 -19.741 -5.634 463 2HZ LYS 56 HZB LYS 56 7.252 -19.693 -4.495 464 3HZ LYS 56 HZC LYS 56 7.199 -20.822 -5.675 465 H ALA 57 HN ALA 57 3.880 -15.709 -6.439 466 HA ALA 57 HA ALA 57 3.017 -13.820 -4.586 467 1HB ALA 57 HMB ALA 57 2.114 -16.226 -5.538 468 2HB ALA 57 HMB ALA 57 2.449 -16.598 -3.828 469 3HB ALA 57 HMB ALA 57 1.348 -15.262 -4.249 470 H GLU 58 HN GLU 58 4.895 -16.808 -3.959 471 HA GLU 58 HA GLU 58 5.204 -16.485 -1.225 472 1HB GLU 58 HBS GLU 58 6.266 -17.971 -3.396 473 2HB GLU 58 HBR GLU 58 7.575 -17.597 -2.414 474 1HG GLU 58 HGS GLU 58 6.363 -19.807 -1.989 475 2HG GLU 58 HGR GLU 58 6.582 -18.840 -0.505 476 H ASP 59 HN ASP 59 6.949 -14.946 -3.861 477 HA ASP 59 HA ASP 59 8.962 -13.755 -2.243 478 1HB ASP 59 HBS ASP 59 7.958 -13.319 -5.018 479 2HB ASP 59 HBR ASP 59 9.022 -12.100 -4.257 480 H ILE 60 HN ILE 60 5.875 -12.475 -3.501 481 HA ILE 60 HA ILE 60 6.284 -9.871 -2.514 482 HB ILE 60 HB ILE 60 3.723 -11.346 -3.294 483 1HG1 ILE 60 HG1 ILE 60 5.423 -11.232 -5.043 484 2HG1 ILE 60 HG1 ILE 60 4.001 -10.231 -5.452 485 1HG2 ILE 60 HMG ILE 60 3.609 -9.123 -1.842 486 2HG2 ILE 60 HMG ILE 60 3.872 -8.377 -3.441 487 3HG2 ILE 60 HMG ILE 60 2.476 -9.454 -3.179 488 1HD1 ILE 60 HMD ILE 60 5.318 -8.240 -4.597 489 2HD1 ILE 60 HMD ILE 60 6.742 -9.314 -4.560 490 3HD1 ILE 60 HMD ILE 60 5.908 -8.990 -6.104 491 H GLU 61 HN GLU 61 4.693 -12.698 -1.094 492 HA GLU 61 HA GLU 61 3.658 -11.401 1.274 493 1HB GLU 61 HBR GLU 61 4.391 -14.197 0.435 494 2HB GLU 61 HBS GLU 61 4.082 -13.843 2.046 495 1HG GLU 61 HGS GLU 61 1.876 -13.303 1.819 496 2HG GLU 61 HGR GLU 61 1.975 -12.945 0.074 497 H LEU 62 HN LEU 62 6.657 -13.175 0.452 498 HA LEU 62 HA LEU 62 7.957 -12.895 2.896 499 1HB LEU 62 HBR LEU 62 8.606 -13.516 0.102 500 2HB LEU 62 HBS LEU 62 9.972 -12.817 1.018 501 HG LEU 62 HG LEU 62 9.954 -15.292 0.970 502 1HD1 LEU 62 HMD LEU 62 10.873 -13.867 2.883 503 2HD1 LEU 62 HMD LEU 62 9.391 -14.300 3.771 504 3HD1 LEU 62 HMD LEU 62 10.519 -15.574 3.246 505 1HD2 LEU 62 HMD LEU 62 7.218 -14.752 1.935 506 2HD2 LEU 62 HMD LEU 62 7.877 -16.161 1.065 507 3HD2 LEU 62 HMD LEU 62 8.086 -16.025 2.830 508 H ALA 63 HN ALA 63 8.210 -10.764 0.029 509 HA ALA 63 HA ALA 63 9.925 -8.901 1.089 510 1HB ALA 63 HMB ALA 63 7.856 -8.880 -1.044 511 2HB ALA 63 HMB ALA 63 8.482 -7.303 -0.500 512 3HB ALA 63 HMB ALA 63 9.603 -8.540 -1.121 513 H VAL 64 HN VAL 64 6.436 -9.148 1.553 514 HA VAL 64 HA VAL 64 6.308 -6.464 2.521 515 HB VAL 64 HB VAL 64 4.717 -8.111 1.121 516 1HG1 VAL 64 HMG VAL 64 3.444 -8.069 3.868 517 2HG1 VAL 64 HMG VAL 64 2.552 -8.356 2.355 518 3HG1 VAL 64 HMG VAL 64 3.846 -9.473 2.851 519 1HG2 VAL 64 HMG VAL 64 4.757 -5.477 1.773 520 2HG2 VAL 64 HMG VAL 64 3.557 -6.265 0.721 521 3HG2 VAL 64 HMG VAL 64 3.181 -5.969 2.435 522 H ARG 65 HN ARG 65 5.262 -9.531 4.061 523 HA ARG 65 HA ARG 65 5.139 -8.541 6.698 524 1HB ARG 65 HBR ARG 65 5.234 -11.188 5.402 525 2HB ARG 65 HBS ARG 65 5.905 -11.140 7.059 526 1HG ARG 65 HGS ARG 65 3.858 -10.480 7.996 527 2HG ARG 65 HGR ARG 65 3.193 -9.975 6.417 528 1HD ARG 65 HDS ARG 65 2.325 -11.970 6.114 529 2HD ARG 65 HDR ARG 65 3.939 -12.719 6.268 530 HE ARG 65 HE ARG 65 2.775 -12.068 8.829 531 1HH1 ARG 65 HH1 ARG 65 3.109 -14.519 6.317 532 2HH1 ARG 65 HH1 ARG 65 2.494 -15.788 7.322 533 1HH2 ARG 65 HH2 ARG 65 1.857 -13.727 10.070 534 2HH2 ARG 65 HH2 ARG 65 1.785 -15.341 9.446 535 H ARG 66 HN ARG 66 7.833 -9.147 4.663 536 HA ARG 66 HA ARG 66 9.883 -9.421 6.702 537 1HB ARG 66 HBR ARG 66 10.357 -10.036 4.396 538 2HB ARG 66 HBS ARG 66 10.003 -8.369 3.856 539 1HG ARG 66 HGS ARG 66 12.362 -8.572 3.904 540 2HG ARG 66 HGR ARG 66 11.913 -7.614 5.344 541 1HD ARG 66 HDS ARG 66 12.032 -9.654 6.702 542 2HD ARG 66 HDR ARG 66 12.555 -10.563 5.257 543 HE ARG 66 HE ARG 66 14.672 -9.833 5.733 544 1HH1 ARG 66 HH1 ARG 66 12.414 -7.534 7.161 545 2HH1 ARG 66 HH1 ARG 66 13.665 -6.442 7.652 546 1HH2 ARG 66 HH2 ARG 66 16.271 -8.320 6.274 547 2HH2 ARG 66 HH2 ARG 66 15.849 -6.890 7.156 548 H PHE 67 HN PHE 67 9.354 -6.684 4.474 549 HA PHE 67 HA PHE 67 11.059 -5.144 6.009 550 1HB PHE 67 HBS PHE 67 10.681 -3.279 4.577 551 2HB PHE 67 HBR PHE 67 10.562 -4.744 3.567 552 HD1 PHE 67 HD1 PHE 67 7.951 -5.695 3.939 553 HD2 PHE 67 HD2 PHE 67 9.230 -1.644 3.617 554 HE1 PHE 67 HE1 PHE 67 5.647 -5.031 3.418 555 HE2 PHE 67 HE2 PHE 67 6.937 -0.965 2.986 556 HZ PHE 67 HZ PHE 67 5.141 -2.670 2.914 557 H LYS 68 HN LYS 68 7.600 -5.463 6.268 558 HA LYS 68 HA LYS 68 6.971 -3.311 7.907 559 1HB LYS 68 HBR LYS 68 5.206 -4.677 8.860 560 2HB LYS 68 HBS LYS 68 5.313 -4.911 7.091 561 1HG LYS 68 HGR LYS 68 6.038 -7.095 7.282 562 2HG LYS 68 HGS LYS 68 6.763 -6.830 8.894 563 1HD LYS 68 HDS LYS 68 3.788 -6.833 8.406 564 2HD LYS 68 HDR LYS 68 4.698 -8.280 8.740 565 1HE LYS 68 HES LYS 68 4.393 -7.897 10.892 566 2HE LYS 68 HER LYS 68 5.537 -6.536 10.713 567 1HZ LYS 68 HZC LYS 68 3.448 -5.295 9.977 568 2HZ LYS 68 HZA LYS 68 2.622 -6.483 10.736 569 3HZ LYS 68 HZB LYS 68 3.678 -5.559 11.572 570 H LYS 69 HN LYS 69 8.704 -6.285 8.677 571 HA LYS 69 HA LYS 69 9.879 -6.969 10.513 572 1HB LYS 69 HBR LYS 69 11.274 -5.326 11.507 573 2HB LYS 69 HBS LYS 69 11.104 -4.952 9.770 574 1HG LYS 69 HGR LYS 69 9.768 -3.053 10.189 575 2HG LYS 69 HGS LYS 69 9.411 -3.562 11.865 576 1HD LYS 69 HDS LYS 69 12.048 -2.560 10.793 577 2HD LYS 69 HDR LYS 69 10.929 -1.703 11.817 578 1HE LYS 69 HES LYS 69 11.768 -2.582 13.660 579 2HE LYS 69 HER LYS 69 11.591 -4.234 13.002 580 1HZ LYS 69 HZA LYS 69 13.755 -2.638 11.959 581 2HZ LYS 69 HZB LYS 69 13.913 -3.148 13.503 582 3HZ LYS 69 HZC LYS 69 13.702 -4.234 12.302 583 1H MET 1 HNC MET 1 -11.372 -2.183 -4.062 584 2H MET 1 HNB MET 1 -10.810 -3.259 -2.969 585 3H MET 1 HN MET 1 -10.072 -1.812 -3.143 586 HA MET 1 HA MET 1 -8.629 -2.973 -4.314 587 1HB MET 1 HBS MET 1 -9.398 -4.987 -5.676 588 2HB MET 1 HBR MET 1 -9.481 -5.125 -3.897 589 1HG MET 1 HGS MET 1 -11.931 -4.427 -4.076 590 2HG MET 1 HGR MET 1 -11.760 -4.611 -5.839 591 1HE MET 1 HME MET 1 -12.681 -6.179 -6.711 592 2HE MET 1 HME MET 1 -11.960 -7.806 -6.780 593 3HE MET 1 HME MET 1 -13.468 -7.539 -5.869 594 H GLU 2 HN GLU 2 -7.906 -1.867 -5.965 595 HA GLU 2 HA GLU 2 -9.084 -1.955 -8.511 596 1HB GLU 2 HBR GLU 2 -10.490 -0.223 -7.066 597 2HB GLU 2 HBS GLU 2 -9.171 0.776 -7.345 598 1HG GLU 2 HGS GLU 2 -9.581 1.216 -9.473 599 2HG GLU 2 HGR GLU 2 -10.111 -0.439 -9.881 600 H LEU 3 HN LEU 3 -6.587 -2.315 -7.106 601 HA LEU 3 HA LEU 3 -4.849 -0.359 -8.449 602 1HB LEU 3 HBR LEU 3 -3.787 -2.738 -7.007 603 2HB LEU 3 HBS LEU 3 -3.240 -1.039 -6.997 604 HG LEU 3 HG LEU 3 -5.518 -2.253 -5.414 605 1HD1 LEU 3 HMD LEU 3 -3.071 -2.552 -4.707 606 2HD1 LEU 3 HMD LEU 3 -3.064 -0.793 -4.427 607 3HD1 LEU 3 HMD LEU 3 -4.188 -1.834 -3.518 608 1HD2 LEU 3 HMD LEU 3 -5.689 0.169 -6.461 609 2HD2 LEU 3 HMD LEU 3 -6.167 -0.144 -4.773 610 3HD2 LEU 3 HMD LEU 3 -4.577 0.578 -5.129 611 HA PRO 4 HA PRO 4 -4.528 -3.070 -11.990 612 1HB PRO 4 HBR PRO 4 -3.458 -1.100 -13.456 613 2HB PRO 4 HBS PRO 4 -5.043 -1.528 -13.478 614 1HG PRO 4 HGS PRO 4 -3.873 0.716 -12.302 615 2HG PRO 4 HGR PRO 4 -5.464 0.487 -12.746 616 1HD PRO 4 HDS PRO 4 -4.532 0.410 -10.228 617 2HD PRO 4 HDR PRO 4 -6.012 -0.141 -10.719 618 H ILE 5 HN ILE 5 -2.934 -4.281 -12.750 619 HA ILE 5 HA ILE 5 -0.665 -4.276 -10.983 620 HB ILE 5 HB ILE 5 -0.016 -6.331 -12.305 621 1HG1 ILE 5 HG1 ILE 5 -2.574 -5.721 -13.838 622 2HG1 ILE 5 HG1 ILE 5 -0.907 -5.592 -14.468 623 1HG2 ILE 5 HMG ILE 5 -1.798 -6.162 -10.360 624 2HG2 ILE 5 HMG ILE 5 -2.900 -6.712 -11.650 625 3HG2 ILE 5 HMG ILE 5 -1.477 -7.694 -11.214 626 1HD1 ILE 5 HMD ILE 5 -1.868 -8.215 -13.375 627 2HD1 ILE 5 HMD ILE 5 -2.384 -7.694 -15.001 628 3HD1 ILE 5 HMD ILE 5 -0.648 -7.875 -14.631 629 H ALA 6 HN ALA 6 -1.308 -2.861 -14.028 630 HA ALA 6 HA ALA 6 1.338 -2.794 -15.064 631 1HB ALA 6 HMB ALA 6 -1.240 -1.836 -15.784 632 2HB ALA 6 HMB ALA 6 -0.116 -0.455 -15.827 633 3HB ALA 6 HMB ALA 6 0.236 -1.920 -16.778 634 HA PRO 7 HA PRO 7 1.588 1.585 -13.008 635 1HB PRO 7 HBR PRO 7 -0.259 2.003 -11.096 636 2HB PRO 7 HBS PRO 7 -0.255 2.711 -12.578 637 1HG PRO 7 HGS PRO 7 -1.893 0.656 -11.645 638 2HG PRO 7 HGR PRO 7 -2.149 1.685 -12.933 639 1HD PRO 7 HDS PRO 7 -1.425 -0.886 -13.146 640 2HD PRO 7 HDR PRO 7 -1.311 0.236 -14.355 641 H ILE 8 HN ILE 8 0.234 -0.720 -10.785 642 HA ILE 8 HA ILE 8 2.143 -0.456 -8.756 643 HB ILE 8 HB ILE 8 0.595 -2.924 -9.687 644 1HG1 ILE 8 HG1 ILE 8 0.018 -0.743 -7.654 645 2HG1 ILE 8 HG1 ILE 8 -0.884 -1.125 -9.147 646 1HG2 ILE 8 HMG ILE 8 2.573 -3.477 -8.263 647 2HG2 ILE 8 HMG ILE 8 1.842 -2.494 -6.967 648 3HG2 ILE 8 HMG ILE 8 0.996 -3.943 -7.572 649 1HD1 ILE 8 HMD ILE 8 -0.693 -3.341 -7.205 650 2HD1 ILE 8 HMD ILE 8 -1.611 -1.916 -6.647 651 3HD1 ILE 8 HMD ILE 8 -2.083 -2.748 -8.152 652 H GLY 9 HN GLY 9 2.149 -2.659 -11.574 653 1HA GLY 9 HAR GLY 9 4.516 -3.959 -11.085 654 2HA GLY 9 HAS GLY 9 3.879 -3.666 -12.725 655 H ARG 10 HN ARG 10 4.063 -0.874 -12.824 656 HA ARG 10 HA ARG 10 6.801 -0.623 -13.550 657 1HB ARG 10 HBR ARG 10 6.246 1.577 -14.322 658 2HB ARG 10 HBS ARG 10 4.928 0.451 -14.754 659 1HG ARG 10 HGS ARG 10 3.405 1.522 -13.465 660 2HG ARG 10 HGR ARG 10 4.598 1.934 -12.201 661 1HD ARG 10 HDS ARG 10 4.685 3.981 -12.995 662 2HD ARG 10 HDR ARG 10 5.353 3.336 -14.520 663 HE ARG 10 HE ARG 10 2.416 3.510 -14.089 664 1HH1 ARG 10 HH1 ARG 10 5.304 4.618 -15.782 665 2HH1 ARG 10 HH1 ARG 10 4.413 5.203 -17.147 666 1HH2 ARG 10 HH2 ARG 10 1.296 4.176 -15.944 667 2HH2 ARG 10 HH2 ARG 10 2.143 4.959 -17.237 668 H ILE 11 HN ILE 11 5.007 0.236 -10.692 669 HA ILE 11 HA ILE 11 6.978 2.005 -9.539 670 HB ILE 11 HB ILE 11 4.788 0.274 -8.293 671 1HG1 ILE 11 HG1 ILE 11 4.822 3.283 -8.701 672 2HG1 ILE 11 HG1 ILE 11 4.201 2.143 -9.927 673 1HG2 ILE 11 HMG ILE 11 6.654 2.274 -7.034 674 2HG2 ILE 11 HMG ILE 11 5.047 1.915 -6.347 675 3HG2 ILE 11 HMG ILE 11 6.257 0.615 -6.513 676 1HD1 ILE 11 HMD ILE 11 3.155 2.274 -7.089 677 2HD1 ILE 11 HMD ILE 11 2.462 3.203 -8.445 678 3HD1 ILE 11 HMD ILE 11 2.447 1.419 -8.485 679 H ILE 12 HN ILE 12 6.321 -1.496 -9.404 680 HA ILE 12 HA ILE 12 8.545 -2.135 -7.652 681 HB ILE 12 HB ILE 12 7.191 -3.987 -9.663 682 1HG1 ILE 12 HG1 ILE 12 5.521 -2.677 -8.307 683 2HG1 ILE 12 HG1 ILE 12 5.424 -4.452 -8.147 684 1HG2 ILE 12 HMG ILE 12 9.276 -4.674 -8.361 685 2HG2 ILE 12 HMG ILE 12 8.218 -4.702 -6.925 686 3HG2 ILE 12 HMG ILE 12 7.866 -5.766 -8.313 687 1HD1 ILE 12 HMD ILE 12 6.745 -4.224 -6.009 688 2HD1 ILE 12 HMD ILE 12 6.521 -2.459 -6.151 689 3HD1 ILE 12 HMD ILE 12 5.102 -3.528 -5.984 690 H LYS 13 HN LYS 13 7.994 -1.674 -11.095 691 HA LYS 13 HA LYS 13 10.543 -2.578 -12.056 692 1HB LYS 13 HBR LYS 13 8.529 -0.554 -13.057 693 2HB LYS 13 HBS LYS 13 10.078 -0.859 -13.887 694 1HG LYS 13 HGR LYS 13 9.413 -3.290 -14.051 695 2HG LYS 13 HGS LYS 13 7.804 -2.823 -13.431 696 1HD LYS 13 HDS LYS 13 7.704 -2.999 -15.808 697 2HD LYS 13 HDR LYS 13 7.454 -1.354 -15.292 698 1HE LYS 13 HES LYS 13 8.847 -1.399 -17.261 699 2HE LYS 13 HER LYS 13 9.747 -0.776 -15.850 700 1HZ LYS 13 HZC LYS 13 9.905 -3.611 -16.416 701 2HZ LYS 13 HZA LYS 13 10.727 -2.601 -17.404 702 3HZ LYS 13 HZB LYS 13 11.034 -2.605 -15.799 703 H ASP 14 HN ASP 14 9.294 0.531 -10.830 704 HA ASP 14 HA ASP 14 11.550 2.014 -11.075 705 1HB ASP 14 HBS ASP 14 9.220 2.674 -10.266 706 2HB ASP 14 HBR ASP 14 9.834 2.290 -8.632 707 H ALA 15 HN ALA 15 10.783 -0.233 -8.457 708 HA ALA 15 HA ALA 15 13.133 -0.134 -6.988 709 1HB ALA 15 HMB ALA 15 10.953 -1.742 -7.025 710 2HB ALA 15 HMB ALA 15 12.190 -2.849 -7.674 711 3HB ALA 15 HMB ALA 15 12.432 -2.073 -6.088 712 H GLY 16 HN GLY 16 12.535 -1.859 -10.048 713 1HA GLY 16 HAR GLY 16 14.573 -2.174 -11.490 714 2HA GLY 16 HAS GLY 16 15.375 -2.807 -10.029 715 H ALA 17 HN ALA 17 12.049 -3.584 -10.189 716 HA ALA 17 HA ALA 17 12.337 -6.330 -10.691 717 1HB ALA 17 HMB ALA 17 10.153 -4.373 -10.483 718 2HB ALA 17 HMB ALA 17 9.781 -5.793 -11.493 719 3HB ALA 17 HMB ALA 17 10.310 -6.014 -9.806 720 H GLU 18 HN GLU 18 11.780 -7.614 -12.476 721 HA GLU 18 HA GLU 18 12.142 -6.249 -15.108 722 1HB GLU 18 HBR GLU 18 13.421 -8.677 -13.913 723 2HB GLU 18 HBS GLU 18 12.978 -8.731 -15.531 724 1HG GLU 18 HGS GLU 18 14.772 -7.692 -16.204 725 2HG GLU 18 HGR GLU 18 14.312 -6.217 -15.312 726 H ARG 19 HN ARG 19 10.851 -9.011 -13.262 727 HA ARG 19 HA ARG 19 8.340 -8.691 -14.707 728 1HB ARG 19 HBR ARG 19 10.055 -11.088 -15.066 729 2HB ARG 19 HBS ARG 19 8.335 -11.394 -14.691 730 1HG ARG 19 HGS ARG 19 7.717 -9.925 -16.614 731 2HG ARG 19 HGR ARG 19 9.453 -9.806 -17.025 732 1HD ARG 19 HDS ARG 19 9.028 -11.567 -18.319 733 2HD ARG 19 HDR ARG 19 9.155 -12.485 -16.791 734 HE ARG 19 HE ARG 19 6.747 -12.548 -16.684 735 1HH1 ARG 19 HH1 ARG 19 7.917 -10.964 -19.608 736 2HH1 ARG 19 HH1 ARG 19 6.494 -11.351 -20.517 737 1HH2 ARG 19 HH2 ARG 19 4.961 -13.150 -17.943 738 2HH2 ARG 19 HH2 ARG 19 4.820 -12.587 -19.576 739 H VAL 20 HN VAL 20 6.618 -9.148 -13.456 740 HA VAL 20 HA VAL 20 7.058 -10.666 -10.967 741 HB VAL 20 HB VAL 20 5.600 -8.018 -11.100 742 1HG1 VAL 20 HMG VAL 20 5.877 -9.956 -8.789 743 2HG1 VAL 20 HMG VAL 20 5.255 -8.293 -8.665 744 3HG1 VAL 20 HMG VAL 20 4.381 -9.500 -9.640 745 1HG2 VAL 20 HMG VAL 20 8.317 -8.559 -10.664 746 2HG2 VAL 20 HMG VAL 20 7.447 -7.031 -10.391 747 3HG2 VAL 20 HMG VAL 20 7.628 -8.201 -9.062 748 H SER 21 HN SER 21 5.860 -12.376 -11.108 749 HA SER 21 HA SER 21 4.145 -12.774 -13.285 750 1HB SER 21 HBS SER 21 3.821 -14.945 -12.518 751 2HB SER 21 HBR SER 21 5.450 -14.501 -11.932 752 HG SER 21 HG SER 21 3.925 -15.689 -10.493 753 H ASP 22 HN ASP 22 1.894 -13.738 -13.046 754 HA ASP 22 HA ASP 22 0.177 -11.718 -12.241 755 1HB ASP 22 HBS ASP 22 -1.630 -13.538 -12.470 756 2HB ASP 22 HBR ASP 22 -0.671 -13.028 -13.890 757 H ASP 23 HN ASP 23 1.206 -14.585 -10.472 758 HA ASP 23 HA ASP 23 -0.510 -14.301 -8.290 759 1HB ASP 23 HBS ASP 23 2.081 -15.672 -8.750 760 2HB ASP 23 HBR ASP 23 1.538 -15.437 -7.063 761 H ALA 24 HN ALA 24 2.882 -13.170 -8.487 762 HA ALA 24 HA ALA 24 2.890 -11.809 -6.085 763 1HB ALA 24 HMB ALA 24 4.460 -11.559 -8.622 764 2HB ALA 24 HMB ALA 24 4.683 -10.353 -7.330 765 3HB ALA 24 HMB ALA 24 4.972 -12.079 -6.998 766 H ARG 25 HN ARG 25 2.118 -10.509 -9.322 767 HA ARG 25 HA ARG 25 1.986 -7.812 -8.584 768 1HB ARG 25 HBR ARG 25 0.721 -7.449 -10.636 769 2HB ARG 25 HBS ARG 25 2.117 -8.532 -10.904 770 1HG ARG 25 HGS ARG 25 0.560 -10.474 -10.828 771 2HG ARG 25 HGR ARG 25 -0.806 -9.330 -10.703 772 1HD ARG 25 HDS ARG 25 -0.767 -9.720 -12.946 773 2HD ARG 25 HDR ARG 25 0.279 -8.277 -12.831 774 HE ARG 25 HE ARG 25 2.115 -10.215 -12.689 775 1HH1 ARG 25 HH1 ARG 25 -0.540 -9.648 -14.939 776 2HH1 ARG 25 HH1 ARG 25 0.164 -10.625 -16.185 777 1HH2 ARG 25 HH2 ARG 25 2.941 -11.586 -14.294 778 2HH2 ARG 25 HH2 ARG 25 2.135 -11.719 -15.822 779 H ILE 26 HN ILE 26 -0.574 -10.286 -8.703 780 HA ILE 26 HA ILE 26 -2.648 -8.590 -7.735 781 HB ILE 26 HB ILE 26 -2.331 -11.629 -7.628 782 1HG1 ILE 26 HG1 ILE 26 -4.004 -10.057 -9.599 783 2HG1 ILE 26 HG1 ILE 26 -2.257 -10.319 -9.864 784 1HG2 ILE 26 HMG ILE 26 -4.713 -9.870 -7.073 785 2HG2 ILE 26 HMG ILE 26 -4.878 -11.573 -7.576 786 3HG2 ILE 26 HMG ILE 26 -4.016 -11.168 -6.069 787 1HD1 ILE 26 HMD ILE 26 -3.344 -12.845 -9.233 788 2HD1 ILE 26 HMD ILE 26 -4.475 -12.081 -10.383 789 3HD1 ILE 26 HMD ILE 26 -2.753 -12.264 -10.813 790 H THR 27 HN THR 27 -0.199 -10.587 -6.158 791 HA THR 27 HA THR 27 -1.372 -10.756 -3.609 792 HB THR 27 HB THR 27 1.587 -10.798 -4.424 793 HG1 THR 27 HG1 THR 27 -0.290 -12.636 -3.733 794 1HG2 THR 27 HMG THR 27 1.392 -10.314 -2.028 795 2HG2 THR 27 HMG THR 27 0.380 -11.766 -1.819 796 3HG2 THR 27 HMG THR 27 2.078 -11.929 -2.338 797 H LEU 28 HN LEU 28 1.213 -8.530 -4.715 798 HA LEU 28 HA LEU 28 1.188 -6.814 -2.520 799 1HB LEU 28 HBR LEU 28 2.556 -7.102 -4.842 800 2HB LEU 28 HBS LEU 28 1.605 -5.640 -5.214 801 HG LEU 28 HG LEU 28 2.687 -4.356 -3.611 802 1HD1 LEU 28 HMD LEU 28 2.547 -5.944 -1.726 803 2HD1 LEU 28 HMD LEU 28 3.883 -6.887 -2.433 804 3HD1 LEU 28 HMD LEU 28 4.164 -5.215 -1.884 805 1HD2 LEU 28 HMD LEU 28 4.023 -5.388 -5.629 806 2HD2 LEU 28 HMD LEU 28 4.842 -4.388 -4.401 807 3HD2 LEU 28 HMD LEU 28 4.966 -6.165 -4.331 808 H ALA 29 HN ALA 29 -0.596 -6.464 -5.605 809 HA ALA 29 HA ALA 29 -1.952 -4.154 -5.017 810 1HB ALA 29 HMB ALA 29 -2.680 -6.539 -6.708 811 2HB ALA 29 HMB ALA 29 -3.746 -5.116 -6.589 812 3HB ALA 29 HMB ALA 29 -2.084 -4.935 -7.205 813 H LYS 30 HN LYS 30 -2.838 -7.462 -4.102 814 HA LYS 30 HA LYS 30 -5.241 -6.629 -2.753 815 1HB LYS 30 HBR LYS 30 -3.656 -9.212 -2.747 816 2HB LYS 30 HBS LYS 30 -5.164 -8.972 -1.819 817 1HG LYS 30 HGR LYS 30 -6.347 -8.460 -3.954 818 2HG LYS 30 HGS LYS 30 -4.840 -8.825 -4.842 819 1HD LYS 30 HDS LYS 30 -5.843 -10.826 -5.044 820 2HD LYS 30 HDR LYS 30 -4.941 -11.073 -3.573 821 1HE LYS 30 HES LYS 30 -6.890 -10.667 -2.208 822 2HE LYS 30 HER LYS 30 -7.838 -10.275 -3.670 823 1HZ LYS 30 HZB LYS 30 -6.894 -12.670 -4.263 824 2HZ LYS 30 HZC LYS 30 -7.039 -12.830 -2.644 825 3HZ LYS 30 HZA LYS 30 -8.340 -12.424 -3.545 826 H ILE 31 HN ILE 31 -1.888 -6.936 -1.876 827 HA ILE 31 HA ILE 31 -2.208 -6.805 1.008 828 HB ILE 31 HB ILE 31 0.056 -6.127 -0.927 829 1HG1 ILE 31 HG1 ILE 31 0.041 -8.309 1.160 830 2HG1 ILE 31 HG1 ILE 31 -0.798 -8.529 -0.402 831 1HG2 ILE 31 HMG ILE 31 -0.118 -5.637 2.008 832 2HG2 ILE 31 HMG ILE 31 1.414 -6.256 1.338 833 3HG2 ILE 31 HMG ILE 31 0.729 -4.727 0.728 834 1HD1 ILE 31 HMD ILE 31 2.102 -7.702 -0.250 835 2HD1 ILE 31 HMD ILE 31 1.599 -9.412 -0.198 836 3HD1 ILE 31 HMD ILE 31 1.208 -8.410 -1.620 837 H LEU 32 HN LEU 32 -0.869 -4.316 -1.161 838 HA LEU 32 HA LEU 32 -1.191 -2.283 0.594 839 1HB LEU 32 HBR LEU 32 -0.995 -2.387 -2.410 840 2HB LEU 32 HBS LEU 32 -1.056 -0.824 -1.545 841 HG LEU 32 HG LEU 32 0.954 -1.827 -0.200 842 1HD1 LEU 32 HMD LEU 32 0.868 -3.477 -2.732 843 2HD1 LEU 32 HMD LEU 32 2.385 -3.151 -1.855 844 3HD1 LEU 32 HMD LEU 32 1.059 -4.028 -1.049 845 1HD2 LEU 32 HMD LEU 32 1.037 -0.799 -3.052 846 2HD2 LEU 32 HMD LEU 32 1.059 0.160 -1.550 847 3HD2 LEU 32 HMD LEU 32 2.451 -0.873 -1.970 848 H GLU 33 HN GLU 33 -3.655 -3.578 -1.492 849 HA GLU 33 HA GLU 33 -5.598 -1.535 -1.107 850 1HB GLU 33 HBR GLU 33 -5.641 -3.329 -2.791 851 2HB GLU 33 HBS GLU 33 -5.712 -4.482 -1.573 852 1HG GLU 33 HGS GLU 33 -7.867 -3.004 -0.853 853 2HG GLU 33 HGR GLU 33 -7.995 -2.898 -2.630 854 H GLU 34 HN GLU 34 -5.284 -4.726 0.520 855 HA GLU 34 HA GLU 34 -7.155 -4.216 2.538 856 1HB GLU 34 HBR GLU 34 -5.378 -6.231 1.724 857 2HB GLU 34 HBS GLU 34 -4.866 -5.835 3.271 858 1HG GLU 34 HGS GLU 34 -6.408 -7.017 4.255 859 2HG GLU 34 HGR GLU 34 -7.710 -6.031 3.536 860 H MET 35 HN MET 35 -3.623 -3.713 2.498 861 HA MET 35 HA MET 35 -3.377 -2.564 5.096 862 1HB MET 35 HBS MET 35 -1.593 -3.305 3.269 863 2HB MET 35 HBR MET 35 -1.679 -1.569 2.853 864 1HG MET 35 HGS MET 35 -1.285 -1.051 5.303 865 2HG MET 35 HGR MET 35 -1.015 -2.793 5.557 866 1HE MET 35 HME MET 35 0.119 0.450 3.725 867 2HE MET 35 HME MET 35 1.501 -0.084 2.736 868 3HE MET 35 HME MET 35 -0.146 -0.627 2.331 869 H GLY 36 HN GLY 36 -4.440 -1.330 1.975 870 1HA GLY 36 HAR GLY 36 -4.473 1.420 2.678 871 2HA GLY 36 HAS GLY 36 -5.389 0.665 1.345 872 H ARG 37 HN ARG 37 -7.061 -1.056 2.631 873 HA ARG 37 HA ARG 37 -9.076 0.493 3.948 874 1HB ARG 37 HBR ARG 37 -8.805 -2.138 2.965 875 2HB ARG 37 HBS ARG 37 -9.138 -2.289 4.715 876 1HG ARG 37 HGS ARG 37 -11.280 -1.671 4.474 877 2HG ARG 37 HGR ARG 37 -10.865 -0.338 3.359 878 1HD ARG 37 HDS ARG 37 -11.513 -1.527 1.628 879 2HD ARG 37 HDR ARG 37 -10.394 -2.846 2.072 880 HE ARG 37 HE ARG 37 -13.241 -2.809 2.437 881 1HH1 ARG 37 HH1 ARG 37 -10.318 -3.773 4.156 882 2HH1 ARG 37 HH1 ARG 37 -11.062 -5.171 4.858 883 1HH2 ARG 37 HH2 ARG 37 -14.140 -4.716 3.268 884 2HH2 ARG 37 HH2 ARG 37 -13.225 -5.705 4.356 885 H ASP 38 HN ASP 38 -6.071 -0.816 4.956 886 HA ASP 38 HA ASP 38 -6.869 -1.099 7.714 887 1HB ASP 38 HBS ASP 38 -4.844 -2.141 6.053 888 2HB ASP 38 HBR ASP 38 -4.043 -1.300 7.411 889 H ILE 39 HN ILE 39 -4.635 1.045 5.945 890 HA ILE 39 HA ILE 39 -4.102 2.800 8.176 891 HB ILE 39 HB ILE 39 -4.043 3.499 5.205 892 1HG1 ILE 39 HG1 ILE 39 -1.636 2.417 6.662 893 2HG1 ILE 39 HG1 ILE 39 -2.852 1.293 5.993 894 1HG2 ILE 39 HMG ILE 39 -2.502 4.560 7.582 895 2HG2 ILE 39 HMG ILE 39 -2.179 4.985 5.880 896 3HG2 ILE 39 HMG ILE 39 -3.743 5.412 6.625 897 1HD1 ILE 39 HMD ILE 39 -1.448 3.423 4.362 898 2HD1 ILE 39 HMD ILE 39 -0.883 1.737 4.505 899 3HD1 ILE 39 HMD ILE 39 -2.470 2.087 3.770 900 H ALA 40 HN ALA 40 -6.790 2.176 6.134 901 HA ALA 40 HA ALA 40 -8.140 4.732 6.342 902 1HB ALA 40 HMB ALA 40 -8.608 2.798 4.723 903 2HB ALA 40 HMB ALA 40 -9.460 2.034 6.089 904 3HB ALA 40 HMB ALA 40 -9.998 3.619 5.479 905 H SER 41 HN SER 41 -9.095 1.615 7.801 906 HA SER 41 HA SER 41 -10.666 2.785 9.772 907 1HB SER 41 HBS SER 41 -10.696 0.612 10.874 908 2HB SER 41 HBR SER 41 -10.912 0.464 9.106 909 HG SER 41 HG SER 41 -8.766 -0.215 10.885 910 H GLU 42 HN GLU 42 -7.258 2.528 9.638 911 HA GLU 42 HA GLU 42 -6.789 2.979 12.482 912 1HB GLU 42 HBR GLU 42 -5.294 2.717 9.964 913 2HB GLU 42 HBS GLU 42 -4.697 3.938 10.947 914 1HG GLU 42 HGS GLU 42 -3.669 1.637 11.274 915 2HG GLU 42 HGR GLU 42 -4.056 2.553 12.755 916 H ALA 43 HN ALA 43 -6.395 5.016 9.542 917 HA ALA 43 HA ALA 43 -6.252 7.488 10.867 918 1HB ALA 43 HMB ALA 43 -5.829 6.824 8.391 919 2HB ALA 43 HMB ALA 43 -7.556 7.207 8.175 920 3HB ALA 43 HMB ALA 43 -6.436 8.454 8.781 921 H ILE 44 HN ILE 44 -8.914 5.369 10.393 922 HA ILE 44 HA ILE 44 -10.906 7.457 10.755 923 HB ILE 44 HB ILE 44 -11.046 4.428 10.401 924 1HG1 ILE 44 HG1 ILE 44 -11.900 6.638 8.504 925 2HG1 ILE 44 HG1 ILE 44 -10.258 5.935 8.523 926 1HG2 ILE 44 HMG ILE 44 -13.360 6.373 10.542 927 2HG2 ILE 44 HMG ILE 44 -13.460 4.669 10.024 928 3HG2 ILE 44 HMG ILE 44 -12.985 5.066 11.697 929 1HD1 ILE 44 HMD ILE 44 -12.818 4.386 8.026 930 2HD1 ILE 44 HMD ILE 44 -11.700 4.967 6.765 931 3HD1 ILE 44 HMD ILE 44 -11.152 3.752 7.949 932 H LYS 45 HN LYS 45 -10.037 4.460 12.527 933 HA LYS 45 HA LYS 45 -11.355 5.034 14.926 934 1HB LYS 45 HBR LYS 45 -10.142 2.894 14.256 935 2HB LYS 45 HBS LYS 45 -8.642 3.701 14.793 936 1HG LYS 45 HGR LYS 45 -9.208 2.561 16.712 937 2HG LYS 45 HGS LYS 45 -10.046 4.113 17.003 938 1HD LYS 45 HDS LYS 45 -11.976 2.774 15.682 939 2HD LYS 45 HDR LYS 45 -11.135 1.432 16.406 940 1HE LYS 45 HES LYS 45 -12.924 2.118 17.852 941 2HE LYS 45 HER LYS 45 -11.344 2.450 18.617 942 1HZ LYS 45 HZA LYS 45 -12.916 4.463 17.166 943 2HZ LYS 45 HZB LYS 45 -12.962 4.269 18.787 944 3HZ LYS 45 HZC LYS 45 -11.571 4.717 18.058 945 H LEU 46 HN LEU 46 -8.227 6.144 13.704 946 HA LEU 46 HA LEU 46 -7.348 7.574 16.000 947 1HB LEU 46 HBR LEU 46 -6.944 7.892 13.019 948 2HB LEU 46 HBS LEU 46 -6.128 8.918 14.232 949 HG LEU 46 HG LEU 46 -5.867 5.929 14.365 950 1HD1 LEU 46 HMD LEU 46 -5.010 7.593 12.167 951 2HD1 LEU 46 HMD LEU 46 -3.596 6.985 13.063 952 3HD1 LEU 46 HMD LEU 46 -4.797 5.841 12.411 953 1HD2 LEU 46 HMD LEU 46 -4.517 8.398 15.368 954 2HD2 LEU 46 HMD LEU 46 -4.884 6.868 16.205 955 3HD2 LEU 46 HMD LEU 46 -3.513 6.956 15.070 956 H ALA 47 HN ALA 47 -9.232 8.644 13.145 957 HA ALA 47 HA ALA 47 -9.537 11.288 13.928 958 1HB ALA 47 HMB ALA 47 -10.544 9.553 11.891 959 2HB ALA 47 HMB ALA 47 -11.888 10.534 12.530 960 3HB ALA 47 HMB ALA 47 -10.422 11.330 11.903 961 H ARG 48 HN ARG 48 -11.624 8.494 14.634 962 HA ARG 48 HA ARG 48 -13.644 9.809 16.017 963 1HB ARG 48 HBR ARG 48 -13.269 7.267 15.382 964 2HB ARG 48 HBS ARG 48 -12.677 7.175 17.066 965 1HG ARG 48 HGS ARG 48 -15.422 8.106 16.158 966 2HG ARG 48 HGR ARG 48 -15.028 6.552 16.948 967 1HD ARG 48 HDS ARG 48 -14.692 9.313 18.124 968 2HD ARG 48 HDR ARG 48 -15.967 8.129 18.528 969 HE ARG 48 HE ARG 48 -13.259 8.172 19.520 970 1HH1 ARG 48 HH1 ARG 48 -16.119 6.188 18.959 971 2HH1 ARG 48 HH1 ARG 48 -15.555 4.898 19.969 972 1HH2 ARG 48 HH2 ARG 48 -12.498 6.410 20.726 973 2HH2 ARG 48 HH2 ARG 48 -13.506 5.024 20.969 974 H HIS 49 HN HIS 49 -10.569 8.506 17.283 975 HA HIS 49 HA HIS 49 -10.874 9.265 19.942 976 1HB HIS 49 HBS HIS 49 -8.936 7.912 18.898 977 2HB HIS 49 HBR HIS 49 -8.188 9.496 18.547 978 HD1 HIS 49 HD1 HIS 49 -8.342 6.968 21.177 979 HD2 HIS 49 HD2 HIS 49 -7.911 11.108 20.999 980 HE1 HIS 49 HE1 HIS 49 -7.263 7.660 23.331 981 HE2 HIS 49 HE2 HIS 49 -6.978 10.161 23.219 982 H ALA 50 HN ALA 50 -9.743 11.171 17.171 983 HA ALA 50 HA ALA 50 -9.329 13.653 18.547 984 1HB ALA 50 HMB ALA 50 -9.020 12.760 15.986 985 2HB ALA 50 HMB ALA 50 -10.489 13.759 15.845 986 3HB ALA 50 HMB ALA 50 -8.988 14.469 16.490 987 H GLY 51 HN GLY 51 -12.157 12.111 17.014 988 1HA GLY 51 HAR GLY 51 -14.443 12.748 17.834 989 2HA GLY 51 HAS GLY 51 -13.838 14.425 17.897 990 H ARG 52 HN ARG 52 -12.908 12.142 15.380 991 HA ARG 52 HA ARG 52 -13.461 11.887 13.177 992 1HB ARG 52 HBR ARG 52 -15.785 11.630 13.823 993 2HB ARG 52 HBS ARG 52 -15.987 13.404 13.916 994 1HG ARG 52 HGS ARG 52 -15.218 13.309 11.397 995 2HG ARG 52 HGR ARG 52 -15.773 11.614 11.514 996 1HD ARG 52 HDS ARG 52 -17.361 14.119 12.065 997 2HD ARG 52 HDR ARG 52 -17.564 12.974 10.709 998 HE ARG 52 HE ARG 52 -18.125 11.288 12.556 999 1HH1 ARG 52 HH1 ARG 52 -18.978 14.709 12.593 1000 2HH1 ARG 52 HH1 ARG 52 -20.231 14.496 13.769 1001 1HH2 ARG 52 HH2 ARG 52 -19.683 11.071 14.189 1002 2HH2 ARG 52 HH2 ARG 52 -20.632 12.437 14.671 1003 H LYS 53 HN LYS 53 -15.166 14.968 13.468 1004 HA LYS 53 HA LYS 53 -14.701 17.089 12.741 1005 1HB LYS 53 HBR LYS 53 -12.836 17.007 14.334 1006 2HB LYS 53 HBS LYS 53 -11.797 16.266 13.083 1007 1HG LYS 53 HGR LYS 53 -11.153 18.475 12.922 1008 2HG LYS 53 HGS LYS 53 -12.463 18.427 11.707 1009 1HD LYS 53 HDS LYS 53 -13.175 20.251 12.763 1010 2HD LYS 53 HDR LYS 53 -13.940 19.063 13.784 1011 1HE LYS 53 HES LYS 53 -11.202 20.086 14.454 1012 2HE LYS 53 HER LYS 53 -12.681 20.990 14.888 1013 1HZ LYS 53 HZB LYS 53 -13.435 19.026 16.047 1014 2HZ LYS 53 HZC LYS 53 -12.063 18.224 15.673 1015 3HZ LYS 53 HZA LYS 53 -12.003 19.533 16.647 1016 H THR 54 HN THR 54 -11.763 15.588 11.417 1017 HA THR 54 HA THR 54 -13.026 14.890 8.937 1018 HB THR 54 HB THR 54 -11.033 17.224 8.880 1019 HG1 THR 54 HG1 THR 54 -12.527 18.166 7.924 1020 1HG2 THR 54 HMG THR 54 -11.987 15.422 6.663 1021 2HG2 THR 54 HMG THR 54 -11.509 17.110 6.352 1022 3HG2 THR 54 HMG THR 54 -10.333 15.964 7.044 1023 H ILE 55 HN ILE 55 -11.435 13.893 7.439 1024 HA ILE 55 HA ILE 55 -8.987 12.942 8.850 1025 HB ILE 55 HB ILE 55 -10.520 11.627 6.553 1026 1HG1 ILE 55 HG1 ILE 55 -10.297 10.986 9.512 1027 2HG1 ILE 55 HG1 ILE 55 -11.761 11.406 8.578 1028 1HG2 ILE 55 HMG ILE 55 -7.856 11.402 6.932 1029 2HG2 ILE 55 HMG ILE 55 -8.446 10.098 7.995 1030 3HG2 ILE 55 HMG ILE 55 -8.891 10.109 6.268 1031 1HD1 ILE 55 HMD ILE 55 -10.731 9.135 7.311 1032 2HD1 ILE 55 HMD ILE 55 -10.537 8.819 9.056 1033 3HD1 ILE 55 HMD ILE 55 -12.144 9.222 8.395 1034 H LYS 56 HN LYS 56 -7.055 13.304 7.939 1035 HA LYS 56 HA LYS 56 -6.899 14.750 5.379 1036 1HB LYS 56 HBR LYS 56 -5.851 15.986 7.945 1037 2HB LYS 56 HBS LYS 56 -5.716 16.640 6.287 1038 1HG LYS 56 HGR LYS 56 -8.496 16.131 6.983 1039 2HG LYS 56 HGS LYS 56 -7.716 17.194 8.190 1040 1HD LYS 56 HDS LYS 56 -7.648 17.669 5.210 1041 2HD LYS 56 HDR LYS 56 -8.855 18.326 6.280 1042 1HE LYS 56 HES LYS 56 -6.816 19.225 7.638 1043 2HE LYS 56 HER LYS 56 -5.957 18.976 6.093 1044 1HZ LYS 56 HZC LYS 56 -7.779 20.303 5.085 1045 2HZ LYS 56 HZA LYS 56 -8.280 20.696 6.591 1046 3HZ LYS 56 HZB LYS 56 -6.793 21.140 6.083 1047 H ALA 57 HN ALA 57 -4.484 15.452 5.115 1048 HA ALA 57 HA ALA 57 -2.887 13.190 5.048 1049 1HB ALA 57 HMB ALA 57 -2.132 16.121 5.030 1050 2HB ALA 57 HMB ALA 57 -0.999 14.793 4.674 1051 3HB ALA 57 HMB ALA 57 -2.424 15.051 3.636 1052 H GLU 58 HN GLU 58 -3.372 15.475 7.643 1053 HA GLU 58 HA GLU 58 -1.196 14.691 9.361 1054 1HB GLU 58 HBR GLU 58 -3.305 16.486 9.343 1055 2HB GLU 58 HBS GLU 58 -3.841 15.325 10.429 1056 1HG GLU 58 HGS GLU 58 -2.123 15.555 11.962 1057 2HG GLU 58 HGR GLU 58 -1.062 16.467 10.854 1058 H ASP 59 HN ASP 59 -4.635 13.687 9.125 1059 HA ASP 59 HA ASP 59 -4.427 11.839 11.248 1060 1HB ASP 59 HBS ASP 59 -6.481 12.882 9.593 1061 2HB ASP 59 HBR ASP 59 -6.616 11.101 9.609 1062 H ILE 60 HN ILE 60 -3.960 11.508 7.790 1063 HA ILE 60 HA ILE 60 -3.847 8.680 7.729 1064 HB ILE 60 HB ILE 60 -2.551 10.763 5.903 1065 1HG1 ILE 60 HG1 ILE 60 -4.892 11.130 5.984 1066 2HG1 ILE 60 HG1 ILE 60 -4.557 10.271 4.453 1067 1HG2 ILE 60 HMG ILE 60 -2.954 7.796 5.512 1068 2HG2 ILE 60 HMG ILE 60 -2.657 8.936 4.173 1069 3HG2 ILE 60 HMG ILE 60 -1.434 8.727 5.455 1070 1HD1 ILE 60 HMD ILE 60 -5.110 8.215 6.219 1071 2HD1 ILE 60 HMD ILE 60 -6.238 9.504 6.721 1072 3HD1 ILE 60 HMD ILE 60 -6.240 8.923 5.033 1073 H GLU 61 HN GLU 61 -1.323 11.149 8.183 1074 HA GLU 61 HA GLU 61 0.925 9.338 8.024 1075 1HB GLU 61 HBR GLU 61 0.484 12.087 9.204 1076 2HB GLU 61 HBS GLU 61 1.943 11.263 9.306 1077 1HG GLU 61 HGS GLU 61 2.042 10.985 6.838 1078 2HG GLU 61 HGR GLU 61 0.672 12.116 6.669 1079 H LEU 62 HN LEU 62 -1.250 10.503 10.557 1080 HA LEU 62 HA LEU 62 0.006 9.237 12.790 1081 1HB LEU 62 HBR LEU 62 -1.786 11.000 12.759 1082 2HB LEU 62 HBS LEU 62 -2.943 9.720 12.294 1083 HG LEU 62 HG LEU 62 -2.690 8.621 14.393 1084 1HD1 LEU 62 HMD LEU 62 -0.173 9.991 14.441 1085 2HD1 LEU 62 HMD LEU 62 -1.099 10.440 15.896 1086 3HD1 LEU 62 HMD LEU 62 -0.782 8.724 15.537 1087 1HD2 LEU 62 HMD LEU 62 -4.064 10.772 14.110 1088 2HD2 LEU 62 HMD LEU 62 -3.698 10.241 15.771 1089 3HD2 LEU 62 HMD LEU 62 -2.771 11.573 15.036 1090 H ALA 63 HN ALA 63 -2.710 8.176 10.702 1091 HA ALA 63 HA ALA 63 -2.945 5.615 11.663 1092 1HB ALA 63 HMB ALA 63 -3.971 7.109 9.519 1093 2HB ALA 63 HMB ALA 63 -3.336 5.607 8.804 1094 3HB ALA 63 HMB ALA 63 -4.532 5.529 10.122 1095 H VAL 64 HN VAL 64 -0.792 6.750 9.062 1096 HA VAL 64 HA VAL 64 -0.113 4.043 8.438 1097 HB VAL 64 HB VAL 64 -0.465 6.328 7.071 1098 1HG1 VAL 64 HMG VAL 64 2.491 6.151 7.433 1099 2HG1 VAL 64 HMG VAL 64 1.862 6.534 5.813 1100 3HG1 VAL 64 HMG VAL 64 1.427 7.558 7.201 1101 1HG2 VAL 64 HMG VAL 64 -0.149 3.697 6.489 1102 2HG2 VAL 64 HMG VAL 64 -0.441 4.991 5.301 1103 3HG2 VAL 64 HMG VAL 64 1.216 4.410 5.595 1104 H ARG 65 HN ARG 65 1.997 6.838 9.224 1105 HA ARG 65 HA ARG 65 4.293 5.428 9.756 1106 1HB ARG 65 HBR ARG 65 4.198 7.863 9.640 1107 2HB ARG 65 HBS ARG 65 3.329 7.918 11.201 1108 1HG ARG 65 HGS ARG 65 5.687 8.490 11.485 1109 2HG ARG 65 HGR ARG 65 5.291 6.967 12.329 1110 1HD ARG 65 HDS ARG 65 7.370 6.674 11.238 1111 2HD ARG 65 HDR ARG 65 6.143 5.738 10.340 1112 HE ARG 65 HE ARG 65 6.118 7.894 8.852 1113 1HH1 ARG 65 HH1 ARG 65 8.889 6.192 10.214 1114 2HH1 ARG 65 HH1 ARG 65 10.003 6.868 9.072 1115 1HH2 ARG 65 HH2 ARG 65 7.626 8.857 7.459 1116 2HH2 ARG 65 HH2 ARG 65 9.289 8.375 7.513 1117 H ARG 66 HN ARG 66 1.461 5.738 11.788 1118 HA ARG 66 HA ARG 66 2.690 4.416 14.088 1119 1HB ARG 66 HBR ARG 66 0.811 5.937 14.427 1120 2HB ARG 66 HBS ARG 66 -0.223 4.914 13.388 1121 1HG ARG 66 HGS ARG 66 -0.726 4.523 15.734 1122 2HG ARG 66 HGR ARG 66 0.005 3.065 15.005 1123 1HD ARG 66 HDS ARG 66 2.111 4.662 15.999 1124 2HD ARG 66 HDR ARG 66 0.852 4.589 17.264 1125 HE ARG 66 HE ARG 66 1.870 2.109 15.978 1126 1HH1 ARG 66 HH1 ARG 66 1.611 4.155 18.837 1127 2HH1 ARG 66 HH1 ARG 66 1.893 2.845 19.934 1128 1HH2 ARG 66 HH2 ARG 66 2.118 0.401 17.447 1129 2HH2 ARG 66 HH2 ARG 66 2.190 0.722 19.148 1130 H PHE 67 HN PHE 67 0.807 3.572 11.219 1131 HA PHE 67 HA PHE 67 0.423 0.830 11.720 1132 1HB PHE 67 HBR PHE 67 -0.089 2.475 9.553 1133 2HB PHE 67 HBS PHE 67 1.204 1.406 8.934 1134 HD1 PHE 67 HD1 PHE 67 -1.816 1.172 11.057 1135 HD2 PHE 67 HD2 PHE 67 0.432 -0.613 7.906 1136 HE1 PHE 67 HE1 PHE 67 -3.572 -0.519 10.789 1137 HE2 PHE 67 HE2 PHE 67 -1.327 -2.327 7.617 1138 HZ PHE 67 HZ PHE 67 -3.271 -2.344 9.158 1139 H LYS 68 HN LYS 68 3.085 2.379 9.878 1140 HA LYS 68 HA LYS 68 5.160 1.618 9.262 1141 1HB LYS 68 HBR LYS 68 5.471 1.841 11.694 1142 2HB LYS 68 HBS LYS 68 4.942 0.147 11.911 1143 1HG LYS 68 HGR LYS 68 7.428 0.463 11.979 1144 2HG LYS 68 HGS LYS 68 6.870 -0.678 10.721 1145 1HD LYS 68 HDS LYS 68 8.641 0.758 9.894 1146 2HD LYS 68 HDR LYS 68 7.148 0.917 9.010 1147 1HE LYS 68 HES LYS 68 6.757 2.905 10.743 1148 2HE LYS 68 HER LYS 68 8.542 2.876 10.720 1149 1HZ LYS 68 HZA LYS 68 7.415 2.700 8.131 1150 2HZ LYS 68 HZB LYS 68 6.946 4.064 8.895 1151 3HZ LYS 68 HZC LYS 68 8.536 3.738 8.708 1152 H LYS 69 HN LYS 69 4.858 0.392 7.487 1153 HA LYS 69 HA LYS 69 5.024 -2.544 7.834 1154 1HB LYS 69 HBR LYS 69 2.580 -1.691 7.642 1155 2HB LYS 69 HBS LYS 69 3.000 -1.365 5.936 1156 1HG LYS 69 HGR LYS 69 2.500 -3.492 5.469 1157 2HG LYS 69 HGS LYS 69 3.900 -3.990 6.461 1158 1HD LYS 69 HDS LYS 69 2.543 -4.166 8.423 1159 2HD LYS 69 HDR LYS 69 1.175 -3.466 7.603 1160 1HE LYS 69 HES LYS 69 0.536 -5.392 6.695 1161 2HE LYS 69 HER LYS 69 2.208 -5.816 6.236 1162 1HZ LYS 69 HZC LYS 69 2.219 -6.058 8.897 1163 2HZ LYS 69 HZA LYS 69 0.715 -6.583 8.536 1164 3HZ LYS 69 HZB LYS 69 2.014 -7.294 7.850 No H/Q in entry = 1164 Start of MODEL 14 Raw file had 1198 H/Q atoms Start of MODEL 14 1 1H MET 1 HNC MET 1 -1.395 8.874 -11.082 2 2H MET 1 HN MET 1 -1.943 9.141 -12.599 3 3H MET 1 HNB MET 1 -2.381 7.786 -11.798 4 HA MET 1 HA MET 1 -0.808 7.135 -13.346 5 1HB MET 1 HBS MET 1 1.503 8.215 -13.195 6 2HB MET 1 HBR MET 1 0.195 9.169 -13.950 7 1HG MET 1 HGS MET 1 -0.158 10.264 -11.668 8 2HG MET 1 HGR MET 1 1.344 9.458 -11.152 9 1HE MET 1 HME MET 1 3.653 9.727 -12.553 10 2HE MET 1 HME MET 1 2.802 9.387 -14.080 11 3HE MET 1 HME MET 1 3.854 10.819 -13.947 12 H GLU 2 HN GLU 2 0.313 8.357 -10.171 13 HA GLU 2 HA GLU 2 1.280 5.670 -9.380 14 1HB GLU 2 HBR GLU 2 2.095 6.749 -7.492 15 2HB GLU 2 HBS GLU 2 2.418 7.734 -8.812 16 1HG GLU 2 HGS GLU 2 0.916 9.385 -8.330 17 2HG GLU 2 HGR GLU 2 -0.098 8.375 -7.265 18 H LEU 3 HN LEU 3 0.411 5.504 -6.828 19 HA LEU 3 HA LEU 3 -1.764 4.266 -6.878 20 1HB LEU 3 HBR LEU 3 -0.376 5.731 -4.757 21 2HB LEU 3 HBS LEU 3 -1.998 5.089 -4.337 22 HG LEU 3 HG LEU 3 -1.161 2.931 -5.415 23 1HD1 LEU 3 HMD LEU 3 1.272 4.610 -5.323 24 2HD1 LEU 3 HMD LEU 3 1.462 2.873 -4.968 25 3HD1 LEU 3 HMD LEU 3 0.726 3.394 -6.506 26 1HD2 LEU 3 HMD LEU 3 -1.354 3.615 -2.838 27 2HD2 LEU 3 HMD LEU 3 -0.571 2.089 -3.314 28 3HD2 LEU 3 HMD LEU 3 0.421 3.510 -2.908 29 HA PRO 4 HA PRO 4 -4.731 7.315 -8.201 30 1HB PRO 4 HBR PRO 4 -6.707 5.462 -8.519 31 2HB PRO 4 HBS PRO 4 -5.772 6.103 -9.705 32 1HG PRO 4 HGS PRO 4 -5.604 3.580 -8.558 33 2HG PRO 4 HGR PRO 4 -4.922 4.119 -9.984 34 1HD PRO 4 HDS PRO 4 -3.558 3.643 -7.739 35 2HD PRO 4 HDR PRO 4 -3.008 4.566 -8.997 36 H ILE 5 HN ILE 5 -6.335 8.567 -7.464 37 HA ILE 5 HA ILE 5 -6.522 8.243 -4.569 38 HB ILE 5 HB ILE 5 -7.247 10.618 -4.614 39 1HG1 ILE 5 HG1 ILE 5 -7.176 10.217 -7.623 40 2HG1 ILE 5 HG1 ILE 5 -8.568 10.674 -6.601 41 1HG2 ILE 5 HMG ILE 5 -4.724 9.653 -5.244 42 2HG2 ILE 5 HMG ILE 5 -5.007 10.951 -6.433 43 3HG2 ILE 5 HMG ILE 5 -5.137 11.297 -4.688 44 1HD1 ILE 5 HMD ILE 5 -6.767 12.691 -6.089 45 2HD1 ILE 5 HMD ILE 5 -6.480 12.338 -7.814 46 3HD1 ILE 5 HMD ILE 5 -8.118 12.767 -7.252 47 H ALA 6 HN ALA 6 -8.521 7.773 -7.312 48 HA ALA 6 HA ALA 6 -11.053 8.009 -5.938 49 1HB ALA 6 HMB ALA 6 -10.113 6.930 -8.579 50 2HB ALA 6 HMB ALA 6 -11.749 6.550 -7.986 51 3HB ALA 6 HMB ALA 6 -11.262 8.246 -8.229 52 HA PRO 7 HA PRO 7 -10.472 3.151 -5.859 53 1HB PRO 7 HBR PRO 7 -7.682 2.842 -5.968 54 2HB PRO 7 HBS PRO 7 -8.832 2.008 -6.790 55 1HG PRO 7 HGR PRO 7 -7.226 3.878 -7.840 56 2HG PRO 7 HGS PRO 7 -8.577 3.221 -8.564 57 1HD PRO 7 HDR PRO 7 -8.275 5.778 -7.566 58 2HD PRO 7 HDS PRO 7 -9.577 5.158 -8.373 59 H ILE 8 HN ILE 8 -7.622 4.665 -4.544 60 HA ILE 8 HA ILE 8 -7.705 3.385 -2.086 61 HB ILE 8 HB ILE 8 -6.628 6.156 -2.799 62 1HG1 ILE 8 HG1 ILE 8 -5.377 3.386 -2.753 63 2HG1 ILE 8 HG1 ILE 8 -5.691 4.421 -4.176 64 1HG2 ILE 8 HMG ILE 8 -6.922 5.130 -0.231 65 2HG2 ILE 8 HMG ILE 8 -5.220 4.806 -0.654 66 3HG2 ILE 8 HMG ILE 8 -5.861 6.468 -0.744 67 1HD1 ILE 8 HMD ILE 8 -3.956 5.590 -2.073 68 2HD1 ILE 8 HMD ILE 8 -3.285 4.200 -2.970 69 3HD1 ILE 8 HMD ILE 8 -3.824 5.655 -3.851 70 H GLY 9 HN GLY 9 -9.057 6.591 -2.921 71 1HA GLY 9 HAS GLY 9 -10.272 7.198 -0.507 72 2HA GLY 9 HAR GLY 9 -10.890 7.727 -2.095 73 H ARG 10 HN ARG 10 -11.266 4.910 -2.978 74 HA ARG 10 HA ARG 10 -13.854 4.438 -1.770 75 1HB ARG 10 HBS ARG 10 -12.364 3.524 -4.151 76 2HB ARG 10 HBR ARG 10 -13.445 2.304 -3.420 77 1HG ARG 10 HGS ARG 10 -14.911 4.725 -3.540 78 2HG ARG 10 HGR ARG 10 -14.091 4.540 -5.117 79 1HD ARG 10 HDS ARG 10 -14.933 2.063 -4.877 80 2HD ARG 10 HDR ARG 10 -16.133 2.821 -3.793 81 HE ARG 10 HE ARG 10 -15.823 4.096 -6.407 82 1HH1 ARG 10 HH1 ARG 10 -17.441 1.488 -4.670 83 2HH1 ARG 10 HH1 ARG 10 -18.873 1.584 -5.640 84 1HH2 ARG 10 HH2 ARG 10 -17.760 4.276 -7.570 85 2HH2 ARG 10 HH2 ARG 10 -19.053 3.159 -7.283 86 H ILE 11 HN ILE 11 -10.640 3.134 -1.468 87 HA ILE 11 HA ILE 11 -11.317 0.681 -0.101 88 HB ILE 11 HB ILE 11 -8.806 2.425 -0.079 89 1HG1 ILE 11 HG1 ILE 11 -9.621 -0.052 -1.633 90 2HG1 ILE 11 HG1 ILE 11 -9.246 1.576 -2.266 91 1HG2 ILE 11 HMG ILE 11 -9.357 0.659 1.873 92 2HG2 ILE 11 HMG ILE 11 -8.604 -0.427 0.676 93 3HG2 ILE 11 HMG ILE 11 -7.713 0.999 1.272 94 1HD1 ILE 11 HMD ILE 11 -6.997 0.533 -0.783 95 2HD1 ILE 11 HMD ILE 11 -7.514 -0.628 -2.035 96 3HD1 ILE 11 HMD ILE 11 -7.099 1.047 -2.488 97 H ILE 12 HN ILE 12 -10.289 3.933 1.004 98 HA ILE 12 HA ILE 12 -10.464 3.323 3.742 99 HB ILE 12 HB ILE 12 -10.799 6.111 2.549 100 1HG1 ILE 12 HG1 ILE 12 -9.023 5.181 1.294 101 2HG1 ILE 12 HG1 ILE 12 -8.272 6.204 2.550 102 1HG2 ILE 12 HMG ILE 12 -10.854 5.481 5.123 103 2HG2 ILE 12 HMG ILE 12 -9.084 5.543 4.914 104 3HG2 ILE 12 HMG ILE 12 -10.079 6.970 4.521 105 1HD1 ILE 12 HMD ILE 12 -8.596 3.226 2.922 106 2HD1 ILE 12 HMD ILE 12 -7.204 3.924 2.051 107 3HD1 ILE 12 HMD ILE 12 -7.494 4.353 3.759 108 H LYS 13 HN LYS 13 -12.830 4.806 1.538 109 HA LYS 13 HA LYS 13 -14.896 5.149 3.446 110 1HB LYS 13 HBS LYS 13 -14.698 5.978 0.977 111 2HB LYS 13 HBR LYS 13 -15.474 4.417 0.583 112 1HG LYS 13 HGR LYS 13 -17.239 5.139 2.377 113 2HG LYS 13 HGS LYS 13 -16.580 6.777 2.107 114 1HD LYS 13 HDS LYS 13 -18.532 6.417 0.741 115 2HD LYS 13 HDR LYS 13 -17.097 6.696 -0.206 116 1HE LYS 13 HES LYS 13 -17.288 4.776 -1.282 117 2HE LYS 13 HER LYS 13 -17.453 3.878 0.253 118 1HZ LYS 13 HZA LYS 13 -19.754 5.395 -0.514 119 2HZ LYS 13 HZB LYS 13 -19.393 4.170 -1.531 120 3HZ LYS 13 HZC LYS 13 -19.650 3.867 0.053 121 H ASP 14 HN ASP 14 -14.055 2.415 1.318 122 HA ASP 14 HA ASP 14 -16.061 0.721 1.987 123 1HB ASP 14 HBS ASP 14 -14.329 0.356 0.260 124 2HB ASP 14 HBR ASP 14 -13.211 -0.159 1.557 125 H ALA 15 HN ALA 15 -13.102 1.304 3.826 126 HA ALA 15 HA ALA 15 -13.584 -0.339 6.047 127 1HB ALA 15 HMB ALA 15 -11.878 1.816 5.346 128 2HB ALA 15 HMB ALA 15 -12.625 2.211 6.916 129 3HB ALA 15 HMB ALA 15 -11.736 0.680 6.711 130 H GLY 16 HN GLY 16 -14.805 2.928 5.309 131 1HA GLY 16 HAR GLY 16 -17.154 3.236 6.080 132 2HA GLY 16 HAS GLY 16 -16.589 2.771 7.707 133 H ALA 17 HN ALA 17 -14.340 4.582 5.842 134 HA ALA 17 HA ALA 17 -14.330 6.872 7.428 135 1HB ALA 17 HMB ALA 17 -12.938 5.891 5.204 136 2HB ALA 17 HMB ALA 17 -13.566 7.484 4.709 137 3HB ALA 17 HMB ALA 17 -12.566 7.337 6.176 138 H GLU 18 HN GLU 18 -15.213 8.874 7.316 139 HA GLU 18 HA GLU 18 -17.155 9.429 5.128 140 1HB GLU 18 HBS GLU 18 -18.284 8.813 7.159 141 2HB GLU 18 HBR GLU 18 -17.447 9.926 8.095 142 1HG GLU 18 HGS GLU 18 -18.866 11.616 7.501 143 2HG GLU 18 HGR GLU 18 -18.802 11.216 5.763 144 H ARG 19 HN ARG 19 -16.380 11.046 4.002 145 HA ARG 19 HA ARG 19 -15.738 13.189 3.476 146 1HB ARG 19 HBS ARG 19 -16.689 13.463 6.192 147 2HB ARG 19 HBR ARG 19 -15.239 14.476 5.934 148 1HG ARG 19 HGS ARG 19 -17.154 14.678 3.734 149 2HG ARG 19 HGR ARG 19 -17.865 15.141 5.306 150 1HD ARG 19 HDS ARG 19 -16.442 16.893 5.594 151 2HD ARG 19 HDR ARG 19 -15.160 16.161 4.588 152 HE ARG 19 HE ARG 19 -17.649 17.109 3.294 153 1HH1 ARG 19 HH1 ARG 19 -14.249 17.693 4.019 154 2HH1 ARG 19 HH1 ARG 19 -14.006 18.680 2.616 155 1HH2 ARG 19 HH2 ARG 19 -17.261 18.297 1.403 156 2HH2 ARG 19 HH2 ARG 19 -15.711 19.022 1.135 157 H VAL 20 HN VAL 20 -13.789 13.154 2.656 158 HA VAL 20 HA VAL 20 -11.490 13.472 4.493 159 HB VAL 20 HB VAL 20 -11.475 11.547 2.166 160 1HG1 VAL 20 HMG VAL 20 -9.461 12.468 4.125 161 2HG1 VAL 20 HMG VAL 20 -9.501 10.716 3.814 162 3HG1 VAL 20 HMG VAL 20 -9.266 11.855 2.465 163 1HG2 VAL 20 HMG VAL 20 -12.137 11.067 5.056 164 2HG2 VAL 20 HMG VAL 20 -12.953 10.477 3.589 165 3HG2 VAL 20 HMG VAL 20 -11.379 9.798 4.066 166 H SER 21 HN SER 21 -9.563 14.257 3.415 167 HA SER 21 HA SER 21 -10.235 16.087 1.208 168 1HB SER 21 HBS SER 21 -7.962 17.038 1.727 169 2HB SER 21 HBR SER 21 -9.193 17.181 3.016 170 HG SER 21 HG SER 21 -8.356 15.462 4.133 171 H ASP 22 HN ASP 22 -8.734 16.411 -0.543 172 HA ASP 22 HA ASP 22 -7.831 14.000 -1.808 173 1HB ASP 22 HBS ASP 22 -6.951 16.781 -2.538 174 2HB ASP 22 HBR ASP 22 -7.062 15.321 -3.563 175 H ASP 23 HN ASP 23 -6.324 16.475 0.200 176 HA ASP 23 HA ASP 23 -3.686 15.647 -0.106 177 1HB ASP 23 HBS ASP 23 -5.156 17.379 1.695 178 2HB ASP 23 HBR ASP 23 -3.785 16.559 2.498 179 H ALA 24 HN ALA 24 -6.199 14.390 2.025 180 HA ALA 24 HA ALA 24 -4.613 12.445 3.397 181 1HB ALA 24 HMB ALA 24 -7.056 13.246 3.784 182 2HB ALA 24 HMB ALA 24 -7.470 11.987 2.593 183 3HB ALA 24 HMB ALA 24 -6.619 11.548 4.096 184 H ARG 25 HN ARG 25 -6.459 12.395 0.340 185 HA ARG 25 HA ARG 25 -6.235 9.646 -0.135 186 1HB ARG 25 HBR ARG 25 -7.399 11.836 -1.415 187 2HB ARG 25 HBS ARG 25 -6.234 11.190 -2.606 188 1HG ARG 25 HGS ARG 25 -8.076 9.956 -3.160 189 2HG ARG 25 HGR ARG 25 -7.360 8.883 -1.923 190 1HD ARG 25 HDS ARG 25 -9.589 10.883 -1.548 191 2HD ARG 25 HDR ARG 25 -9.719 9.101 -1.548 192 HE ARG 25 HE ARG 25 -8.906 10.784 0.649 193 1HH1 ARG 25 HH1 ARG 25 -8.146 7.679 -0.840 194 2HH1 ARG 25 HH1 ARG 25 -7.822 6.909 0.676 195 1HH2 ARG 25 HH2 ARG 25 -8.604 9.706 2.620 196 2HH2 ARG 25 HH2 ARG 25 -8.080 8.054 2.635 197 H ILE 26 HN ILE 26 -4.131 12.334 -1.131 198 HA ILE 26 HA ILE 26 -2.374 10.666 -2.658 199 HB ILE 26 HB ILE 26 -2.008 13.492 -1.547 200 1HG1 ILE 26 HG1 ILE 26 -2.497 13.279 -4.409 201 2HG1 ILE 26 HG1 ILE 26 -3.792 12.479 -3.476 202 1HG2 ILE 26 HMG ILE 26 -0.127 11.796 -2.861 203 2HG2 ILE 26 HMG ILE 26 -0.569 13.127 -3.963 204 3HG2 ILE 26 HMG ILE 26 0.056 13.489 -2.332 205 1HD1 ILE 26 HMD ILE 26 -3.380 14.891 -2.145 206 2HD1 ILE 26 HMD ILE 26 -3.250 15.309 -3.874 207 3HD1 ILE 26 HMD ILE 26 -4.714 14.496 -3.262 208 H THR 27 HN THR 27 -2.283 12.014 0.631 209 HA THR 27 HA THR 27 0.410 11.387 1.209 210 HB THR 27 HB THR 27 -1.983 11.652 3.118 211 HG1 THR 27 HG1 THR 27 0.050 13.261 2.307 212 1HG2 THR 27 HMG THR 27 0.497 10.686 3.811 213 2HG2 THR 27 HMG THR 27 0.638 12.427 4.163 214 3HG2 THR 27 HMG THR 27 -0.671 11.472 4.904 215 H LEU 28 HN LEU 28 -2.578 9.631 2.123 216 HA LEU 28 HA LEU 28 -1.451 7.230 2.936 217 1HB LEU 28 HBR LEU 28 -3.912 8.275 2.660 218 2HB LEU 28 HBS LEU 28 -3.909 7.182 1.251 219 HG LEU 28 HG LEU 28 -3.890 5.270 2.543 220 1HD1 LEU 28 HMD LEU 28 -2.839 7.005 4.784 221 2HD1 LEU 28 HMD LEU 28 -3.575 5.410 5.080 222 3HD1 LEU 28 HMD LEU 28 -2.120 5.543 4.062 223 1HD2 LEU 28 HMD LEU 28 -5.601 7.488 3.404 224 2HD2 LEU 28 HMD LEU 28 -6.014 5.812 2.960 225 3HD2 LEU 28 HMD LEU 28 -5.457 6.186 4.612 226 H ALA 29 HN ALA 29 -2.590 8.032 -0.360 227 HA ALA 29 HA ALA 29 -1.615 5.891 -1.702 228 1HB ALA 29 HMB ALA 29 -1.714 8.780 -2.599 229 2HB ALA 29 HMB ALA 29 -1.415 7.402 -3.690 230 3HB ALA 29 HMB ALA 29 -2.956 7.517 -2.802 231 H LYS 30 HN LYS 30 0.270 8.511 -0.379 232 HA LYS 30 HA LYS 30 2.659 7.688 -1.843 233 1HB LYS 30 HBS LYS 30 1.745 10.107 -1.006 234 2HB LYS 30 HBR LYS 30 2.878 9.705 0.315 235 1HG LYS 30 HGR LYS 30 4.563 9.183 -1.597 236 2HG LYS 30 HGS LYS 30 3.442 10.119 -2.626 237 1HD LYS 30 HDS LYS 30 5.052 11.651 -1.946 238 2HD LYS 30 HDR LYS 30 3.610 11.990 -1.027 239 1HE LYS 30 HES LYS 30 4.628 11.693 0.911 240 2HE LYS 30 HER LYS 30 5.283 10.116 0.383 241 1HZ LYS 30 HZC LYS 30 7.031 11.317 -0.742 242 2HZ LYS 30 HZA LYS 30 6.441 12.750 -0.226 243 3HZ LYS 30 HZB LYS 30 7.027 11.672 0.852 244 H ILE 31 HN ILE 31 1.259 7.300 1.323 245 HA ILE 31 HA ILE 31 3.570 6.166 2.640 246 HB ILE 31 HB ILE 31 0.563 6.117 3.039 247 1HG1 ILE 31 HG1 ILE 31 1.913 6.860 5.379 248 2HG1 ILE 31 HG1 ILE 31 2.883 7.552 4.046 249 1HG2 ILE 31 HMG ILE 31 2.132 3.920 3.808 250 2HG2 ILE 31 HMG ILE 31 1.888 4.894 5.283 251 3HG2 ILE 31 HMG ILE 31 0.482 4.336 4.339 252 1HD1 ILE 31 HMD ILE 31 -0.035 7.937 3.799 253 2HD1 ILE 31 HMD ILE 31 0.721 8.763 5.188 254 3HD1 ILE 31 HMD ILE 31 1.307 9.082 3.534 255 H LEU 32 HN LEU 32 0.647 4.512 1.395 256 HA LEU 32 HA LEU 32 1.725 2.017 1.413 257 1HB LEU 32 HBR LEU 32 -0.557 3.376 0.112 258 2HB LEU 32 HBS LEU 32 -0.111 1.791 -0.579 259 HG LEU 32 HG LEU 32 -0.193 1.138 2.029 260 1HD1 LEU 32 HMD LEU 32 -1.927 3.561 1.649 261 2HD1 LEU 32 HMD LEU 32 -2.474 2.241 2.715 262 3HD1 LEU 32 HMD LEU 32 -0.935 3.075 3.048 263 1HD2 LEU 32 HMD LEU 32 -2.149 1.183 -0.225 264 2HD2 LEU 32 HMD LEU 32 -1.397 -0.196 0.617 265 3HD2 LEU 32 HMD LEU 32 -2.744 0.688 1.381 266 H GLU 33 HN GLU 33 1.911 4.371 -1.215 267 HA GLU 33 HA GLU 33 2.978 2.677 -3.206 268 1HB GLU 33 HBS GLU 33 2.082 4.793 -3.621 269 2HB GLU 33 HBR GLU 33 3.121 5.619 -2.594 270 1HG GLU 33 HGS GLU 33 4.271 4.011 -4.858 271 2HG GLU 33 HGR GLU 33 3.472 5.539 -5.318 272 H GLU 34 HN GLU 34 4.640 4.795 -0.837 273 HA GLU 34 HA GLU 34 7.305 4.232 -1.787 274 1HB GLU 34 HBS GLU 34 6.750 6.188 -0.636 275 2HB GLU 34 HBR GLU 34 6.049 5.414 0.677 276 1HG GLU 34 HGS GLU 34 8.965 5.120 -0.114 277 2HG GLU 34 HGR GLU 34 8.470 6.419 1.005 278 H MET 35 HN MET 35 5.047 2.718 0.432 279 HA MET 35 HA MET 35 6.839 0.690 1.438 280 1HB MET 35 HBS MET 35 3.960 1.258 1.491 281 2HB MET 35 HBR MET 35 4.344 -0.474 1.320 282 1HG MET 35 HGS MET 35 4.326 -0.167 3.666 283 2HG MET 35 HGR MET 35 6.049 -0.091 3.236 284 1HE MET 35 HME MET 35 5.747 0.669 5.617 285 2HE MET 35 HME MET 35 6.882 2.033 5.453 286 3HE MET 35 HME MET 35 5.274 2.294 6.175 287 H GLY 36 HN GLY 36 4.534 0.889 -1.289 288 1HA GLY 36 HAR GLY 36 4.898 -1.701 -2.236 289 2HA GLY 36 HAS GLY 36 4.339 -0.330 -3.231 290 H ARG 37 HN ARG 37 6.635 1.289 -3.104 291 HA ARG 37 HA ARG 37 8.401 0.170 -5.047 292 1HB ARG 37 HBR ARG 37 8.040 2.622 -4.573 293 2HB ARG 37 HBS ARG 37 9.037 2.409 -3.104 294 1HG ARG 37 HGS ARG 37 10.741 1.381 -4.885 295 2HG ARG 37 HGR ARG 37 9.832 2.457 -5.984 296 1HD ARG 37 HDS ARG 37 10.196 4.239 -4.164 297 2HD ARG 37 HDR ARG 37 11.467 3.136 -3.564 298 HE ARG 37 HE ARG 37 11.940 3.435 -6.291 299 1HH1 ARG 37 HH1 ARG 37 12.030 5.379 -3.351 300 2HH1 ARG 37 HH1 ARG 37 13.076 6.573 -4.043 301 1HH2 ARG 37 HH2 ARG 37 13.202 5.082 -7.201 302 2HH2 ARG 37 HH2 ARG 37 13.741 6.405 -6.221 303 H ASP 38 HN ASP 38 8.476 0.388 -1.506 304 HA ASP 38 HA ASP 38 10.987 -0.748 -1.128 305 1HB ASP 38 HBR ASP 38 8.804 0.026 0.496 306 2HB ASP 38 HBS ASP 38 9.314 -1.612 0.996 307 H ILE 39 HN ILE 39 7.832 -2.402 -1.339 308 HA ILE 39 HA ILE 39 8.866 -4.977 -0.730 309 HB ILE 39 HB ILE 39 6.428 -4.614 -2.502 310 1HG1 ILE 39 HG1 ILE 39 6.623 -3.850 0.433 311 2HG1 ILE 39 HG1 ILE 39 6.128 -2.831 -0.948 312 1HG2 ILE 39 HMG ILE 39 7.553 -6.725 -0.943 313 2HG2 ILE 39 HMG ILE 39 5.943 -6.312 -0.297 314 3HG2 ILE 39 HMG ILE 39 6.132 -6.737 -2.020 315 1HD1 ILE 39 HMD ILE 39 4.497 -5.261 -0.507 316 2HD1 ILE 39 HMD ILE 39 4.403 -4.014 0.766 317 3HD1 ILE 39 HMD ILE 39 4.012 -3.594 -0.924 318 H ALA 40 HN ALA 40 8.740 -3.099 -3.665 319 HA ALA 40 HA ALA 40 8.791 -5.373 -5.449 320 1HB ALA 40 HMB ALA 40 8.249 -2.590 -5.602 321 2HB ALA 40 HMB ALA 40 9.554 -2.953 -6.758 322 3HB ALA 40 HMB ALA 40 8.016 -3.847 -6.842 323 H SER 41 HN SER 41 11.117 -2.779 -4.612 324 HA SER 41 HA SER 41 13.371 -3.967 -5.960 325 1HB SER 41 HBS SER 41 13.439 -1.639 -5.408 326 2HB SER 41 HBR SER 41 13.199 -1.986 -3.671 327 HG SER 41 HG SER 41 15.214 -2.091 -3.439 328 H GLU 42 HN GLU 42 11.637 -4.603 -3.038 329 HA GLU 42 HA GLU 42 13.705 -6.186 -1.836 330 1HB GLU 42 HBR GLU 42 10.793 -5.630 -1.425 331 2HB GLU 42 HBS GLU 42 11.449 -6.997 -0.705 332 1HG GLU 42 HGR GLU 42 11.493 -4.810 0.755 333 2HG GLU 42 HGS GLU 42 12.873 -5.940 0.716 334 H ALA 43 HN ALA 43 10.653 -7.007 -3.530 335 HA ALA 43 HA ALA 43 11.050 -9.878 -3.415 336 1HB ALA 43 HMB ALA 43 9.153 -7.967 -4.655 337 2HB ALA 43 HMB ALA 43 9.393 -9.513 -5.507 338 3HB ALA 43 HMB ALA 43 8.861 -9.506 -3.806 339 H ILE 44 HN ILE 44 11.850 -7.229 -5.617 340 HA ILE 44 HA ILE 44 13.185 -8.778 -7.627 341 HB ILE 44 HB ILE 44 13.446 -5.909 -6.628 342 1HG1 ILE 44 HG1 ILE 44 12.448 -6.884 -9.313 343 2HG1 ILE 44 HG1 ILE 44 11.396 -6.849 -7.871 344 1HG2 ILE 44 HMG ILE 44 14.924 -7.170 -8.946 345 2HG2 ILE 44 HMG ILE 44 14.763 -5.417 -8.666 346 3HG2 ILE 44 HMG ILE 44 15.627 -6.434 -7.483 347 1HD1 ILE 44 HMD ILE 44 12.273 -4.338 -7.757 348 2HD1 ILE 44 HMD ILE 44 12.489 -4.605 -9.508 349 3HD1 ILE 44 HMD ILE 44 10.880 -4.813 -8.765 350 H LYS 45 HN LYS 45 14.397 -7.079 -4.707 351 HA LYS 45 HA LYS 45 16.917 -8.129 -4.605 352 1HB LYS 45 HBS LYS 45 15.101 -6.922 -2.707 353 2HB LYS 45 HBR LYS 45 16.042 -8.223 -1.925 354 1HG LYS 45 HGR LYS 45 17.088 -5.948 -1.759 355 2HG LYS 45 HGS LYS 45 18.126 -7.181 -2.532 356 1HD LYS 45 HDS LYS 45 17.288 -6.310 -4.755 357 2HD LYS 45 HDR LYS 45 16.564 -4.992 -3.875 358 1HE LYS 45 HES LYS 45 18.475 -3.892 -3.670 359 2HE LYS 45 HER LYS 45 19.333 -5.361 -3.124 360 1HZ LYS 45 HZC LYS 45 18.637 -5.101 -5.932 361 2HZ LYS 45 HZA LYS 45 19.911 -4.250 -5.365 362 3HZ LYS 45 HZB LYS 45 19.896 -5.879 -5.241 363 H LEU 46 HN LEU 46 13.917 -9.784 -3.923 364 HA LEU 46 HA LEU 46 15.244 -12.117 -2.809 365 1HB LEU 46 HBS LEU 46 12.403 -11.415 -3.580 366 2HB LEU 46 HBR LEU 46 12.876 -13.003 -2.908 367 HG LEU 46 HG LEU 46 13.609 -10.553 -1.371 368 1HD1 LEU 46 HMD LEU 46 10.905 -11.174 -2.175 369 2HD1 LEU 46 HMD LEU 46 11.096 -11.413 -0.420 370 3HD1 LEU 46 HMD LEU 46 11.507 -9.843 -1.154 371 1HD2 LEU 46 HMD LEU 46 13.337 -13.439 -1.065 372 2HD2 LEU 46 HMD LEU 46 14.220 -12.260 -0.063 373 3HD2 LEU 46 HMD LEU 46 12.485 -12.547 0.221 374 H ALA 47 HN ALA 47 14.430 -10.944 -5.939 375 HA ALA 47 HA ALA 47 14.312 -13.537 -7.288 376 1HB ALA 47 HMB ALA 47 13.666 -10.894 -7.937 377 2HB ALA 47 HMB ALA 47 15.073 -11.295 -8.953 378 3HB ALA 47 HMB ALA 47 13.616 -12.321 -9.004 379 H ARG 48 HN ARG 48 16.689 -11.176 -6.264 380 HA ARG 48 HA ARG 48 18.910 -12.503 -7.649 381 1HB ARG 48 HBS ARG 48 18.693 -9.990 -6.847 382 2HB ARG 48 HBR ARG 48 19.304 -10.673 -5.312 383 1HG ARG 48 HGS ARG 48 20.871 -11.608 -7.569 384 2HG ARG 48 HGR ARG 48 20.806 -9.824 -7.525 385 1HD ARG 48 HDS ARG 48 22.151 -9.734 -5.778 386 2HD ARG 48 HDR ARG 48 21.185 -10.944 -4.887 387 HE ARG 48 HE ARG 48 22.882 -12.415 -5.334 388 1HH1 ARG 48 HH1 ARG 48 22.937 -9.945 -7.849 389 2HH1 ARG 48 HH1 ARG 48 24.156 -10.758 -8.772 390 1HH2 ARG 48 HH2 ARG 48 24.383 -13.511 -6.632 391 2HH2 ARG 48 HH2 ARG 48 24.977 -12.774 -8.083 392 H HIS 49 HN HIS 49 17.985 -11.953 -4.225 393 HA HIS 49 HA HIS 49 20.022 -13.540 -3.183 394 1HB HIS 49 HBS HIS 49 18.442 -11.855 -1.951 395 2HB HIS 49 HBR HIS 49 17.405 -13.286 -1.687 396 HD1 HIS 49 HD1 HIS 49 21.155 -12.466 -1.189 397 HD2 HIS 49 HD2 HIS 49 17.995 -14.483 0.628 398 HE1 HIS 49 HE1 HIS 49 22.008 -13.267 1.028 399 HE2 HIS 49 HE2 HIS 49 20.094 -14.469 2.141 400 H ALA 50 HN ALA 50 16.979 -14.465 -4.541 401 HA ALA 50 HA ALA 50 16.877 -17.148 -3.436 402 1HB ALA 50 HMB ALA 50 15.609 -15.872 -5.874 403 2HB ALA 50 HMB ALA 50 15.291 -17.532 -5.306 404 3HB ALA 50 HMB ALA 50 14.865 -16.140 -4.276 405 H GLY 51 HN GLY 51 18.055 -15.628 -6.443 406 1HA GLY 51 HAR GLY 51 20.002 -16.609 -7.648 407 2HA GLY 51 HAS GLY 51 19.375 -18.211 -7.176 408 H ARG 52 HN ARG 52 17.280 -15.532 -8.066 409 HA ARG 52 HA ARG 52 15.891 -15.105 -9.771 410 1HB ARG 52 HBR ARG 52 16.571 -15.339 -11.924 411 2HB ARG 52 HBS ARG 52 18.112 -15.328 -11.030 412 1HG ARG 52 HGS ARG 52 17.275 -18.060 -11.410 413 2HG ARG 52 HGR ARG 52 17.198 -17.187 -12.965 414 1HD ARG 52 HDS ARG 52 19.547 -16.287 -11.887 415 2HD ARG 52 HDR ARG 52 19.491 -17.989 -11.346 416 HE ARG 52 HE ARG 52 19.032 -17.353 -14.204 417 1HH1 ARG 52 HH1 ARG 52 21.227 -18.559 -11.722 418 2HH1 ARG 52 HH1 ARG 52 22.124 -19.535 -12.836 419 1HH2 ARG 52 HH2 ARG 52 20.146 -18.743 -15.606 420 2HH2 ARG 52 HH2 ARG 52 21.514 -19.639 -15.034 421 H LYS 53 HN LYS 53 13.942 -15.738 -9.865 422 HA LYS 53 HA LYS 53 13.180 -18.446 -10.709 423 1HB LYS 53 HBS LYS 53 12.961 -17.456 -7.881 424 2HB LYS 53 HBR LYS 53 11.664 -18.477 -8.566 425 1HG LYS 53 HGR LYS 53 14.599 -19.178 -8.204 426 2HG LYS 53 HGS LYS 53 13.184 -19.922 -7.405 427 1HD LYS 53 HDS LYS 53 12.431 -20.538 -9.791 428 2HD LYS 53 HDR LYS 53 14.066 -20.161 -10.259 429 1HE LYS 53 HES LYS 53 13.591 -22.057 -7.995 430 2HE LYS 53 HER LYS 53 13.438 -22.590 -9.693 431 1HZ LYS 53 HZC LYS 53 15.815 -21.197 -8.694 432 2HZ LYS 53 HZA LYS 53 15.673 -22.823 -8.639 433 3HZ LYS 53 HZB LYS 53 15.652 -22.049 -10.076 434 H THR 54 HN THR 54 12.866 -15.421 -11.272 435 HA THR 54 HA THR 54 11.257 -13.914 -11.879 436 HB THR 54 HB THR 54 9.399 -16.357 -11.804 437 HG1 THR 54 HG1 THR 54 10.571 -14.841 -13.731 438 1HG2 THR 54 HMG THR 54 8.828 -13.509 -12.378 439 2HG2 THR 54 HMG THR 54 8.175 -14.696 -13.537 440 3HG2 THR 54 HMG THR 54 7.761 -14.817 -11.807 441 H ILE 55 HN ILE 55 9.702 -12.571 -10.940 442 HA ILE 55 HA ILE 55 9.338 -12.866 -8.042 443 HB ILE 55 HB ILE 55 8.461 -10.716 -10.031 444 1HG1 ILE 55 HG1 ILE 55 10.741 -10.910 -8.034 445 2HG1 ILE 55 HG1 ILE 55 10.839 -10.770 -9.813 446 1HG2 ILE 55 HMG ILE 55 6.926 -10.857 -8.101 447 2HG2 ILE 55 HMG ILE 55 8.314 -10.605 -7.011 448 3HG2 ILE 55 HMG ILE 55 7.842 -9.329 -8.164 449 1HD1 ILE 55 HMD ILE 55 9.473 -8.575 -8.322 450 2HD1 ILE 55 HMD ILE 55 11.248 -8.698 -8.191 451 3HD1 ILE 55 HMD ILE 55 10.482 -8.518 -9.791 452 H LYS 56 HN LYS 56 7.497 -13.370 -7.024 453 HA LYS 56 HA LYS 56 5.050 -14.006 -8.548 454 1HB LYS 56 HBR LYS 56 7.072 -15.971 -7.797 455 2HB LYS 56 HBS LYS 56 5.487 -16.307 -7.043 456 1HG LYS 56 HGR LYS 56 4.427 -16.204 -9.287 457 2HG LYS 56 HGS LYS 56 6.038 -15.946 -10.015 458 1HD LYS 56 HDS LYS 56 5.330 -18.365 -8.359 459 2HD LYS 56 HDR LYS 56 5.082 -18.276 -10.081 460 1HE LYS 56 HES LYS 56 7.515 -17.737 -10.355 461 2HE LYS 56 HER LYS 56 7.695 -18.097 -8.614 462 1HZ LYS 56 HZA LYS 56 6.293 -20.141 -9.937 463 2HZ LYS 56 HZB LYS 56 7.731 -19.886 -10.670 464 3HZ LYS 56 HZC LYS 56 7.677 -20.231 -9.074 465 H ALA 57 HN ALA 57 3.532 -15.236 -6.929 466 HA ALA 57 HA ALA 57 2.835 -13.407 -4.980 467 1HB ALA 57 HMB ALA 57 2.057 -16.212 -5.615 468 2HB ALA 57 HMB ALA 57 1.544 -15.540 -4.047 469 3HB ALA 57 HMB ALA 57 1.080 -14.723 -5.560 470 H GLU 58 HN GLU 58 4.680 -16.426 -4.609 471 HA GLU 58 HA GLU 58 5.084 -16.298 -1.817 472 1HB GLU 58 HBS GLU 58 7.110 -17.584 -2.384 473 2HB GLU 58 HBR GLU 58 5.646 -18.277 -2.825 474 1HG GLU 58 HGS GLU 58 6.478 -18.517 -4.923 475 2HG GLU 58 HGR GLU 58 6.509 -16.745 -5.126 476 H ASP 59 HN ASP 59 7.191 -15.153 -4.492 477 HA ASP 59 HA ASP 59 9.169 -14.126 -2.870 478 1HB ASP 59 HBS ASP 59 8.773 -14.371 -5.570 479 2HB ASP 59 HBR ASP 59 8.892 -12.603 -5.338 480 H ILE 60 HN ILE 60 6.160 -12.624 -3.850 481 HA ILE 60 HA ILE 60 6.936 -9.962 -3.151 482 HB ILE 60 HB ILE 60 4.212 -11.249 -3.660 483 1HG1 ILE 60 HG1 ILE 60 5.987 -11.219 -5.472 484 2HG1 ILE 60 HG1 ILE 60 4.405 -10.499 -5.884 485 1HG2 ILE 60 HMG ILE 60 4.932 -8.362 -3.194 486 2HG2 ILE 60 HMG ILE 60 3.507 -8.840 -4.154 487 3HG2 ILE 60 HMG ILE 60 3.640 -9.337 -2.445 488 1HD1 ILE 60 HMD ILE 60 5.663 -8.279 -5.085 489 2HD1 ILE 60 HMD ILE 60 7.082 -9.224 -5.610 490 3HD1 ILE 60 HMD ILE 60 5.757 -8.893 -6.757 491 H GLU 61 HN GLU 61 4.715 -12.296 -1.577 492 HA GLU 61 HA GLU 61 4.412 -10.765 0.878 493 1HB GLU 61 HBR GLU 61 3.991 -13.652 0.088 494 2HB GLU 61 HBS GLU 61 3.779 -13.081 1.652 495 1HG GLU 61 HGS GLU 61 2.126 -11.424 0.988 496 2HG GLU 61 HGR GLU 61 2.171 -11.992 -0.703 497 H LEU 62 HN LEU 62 6.882 -12.664 -0.577 498 HA LEU 62 HA LEU 62 8.316 -13.148 1.906 499 1HB LEU 62 HBS LEU 62 8.727 -13.560 -1.029 500 2HB LEU 62 HBR LEU 62 10.152 -13.579 0.049 501 HG LEU 62 HG LEU 62 7.734 -15.374 0.365 502 1HD1 LEU 62 HMD LEU 62 9.669 -15.407 -1.638 503 2HD1 LEU 62 HMD LEU 62 10.261 -16.588 -0.443 504 3HD1 LEU 62 HMD LEU 62 8.630 -16.766 -1.140 505 1HD2 LEU 62 HMD LEU 62 9.644 -14.698 2.206 506 2HD2 LEU 62 HMD LEU 62 8.759 -16.244 2.172 507 3HD2 LEU 62 HMD LEU 62 10.377 -16.127 1.436 508 H ALA 63 HN ALA 63 8.443 -10.797 -0.759 509 HA ALA 63 HA ALA 63 10.573 -9.169 0.300 510 1HB ALA 63 HMB ALA 63 9.705 -9.058 -2.029 511 2HB ALA 63 HMB ALA 63 8.197 -8.356 -1.393 512 3HB ALA 63 HMB ALA 63 9.738 -7.485 -1.194 513 H VAL 64 HN VAL 64 7.112 -9.515 0.863 514 HA VAL 64 HA VAL 64 6.823 -7.255 2.652 515 HB VAL 64 HB VAL 64 5.244 -9.775 2.127 516 1HG1 VAL 64 HMG VAL 64 4.561 -7.539 4.054 517 2HG1 VAL 64 HMG VAL 64 3.396 -8.742 3.449 518 3HG1 VAL 64 HMG VAL 64 4.792 -9.265 4.421 519 1HG2 VAL 64 HMG VAL 64 5.122 -6.966 1.165 520 2HG2 VAL 64 HMG VAL 64 4.790 -8.499 0.320 521 3HG2 VAL 64 HMG VAL 64 3.581 -7.817 1.434 522 H ARG 65 HN ARG 65 6.546 -10.716 3.443 523 HA ARG 65 HA ARG 65 6.924 -10.328 6.133 524 1HB ARG 65 HBS ARG 65 6.272 -12.460 4.595 525 2HB ARG 65 HBR ARG 65 7.914 -12.934 5.117 526 1HG ARG 65 HGS ARG 65 5.609 -12.188 6.951 527 2HG ARG 65 HGR ARG 65 6.174 -13.845 6.597 528 1HD ARG 65 HDS ARG 65 7.709 -11.631 7.955 529 2HD ARG 65 HDR ARG 65 7.067 -13.122 8.698 530 HE ARG 65 HE ARG 65 9.578 -12.862 7.467 531 1HH1 ARG 65 HH1 ARG 65 6.865 -15.104 7.683 532 2HH1 ARG 65 HH1 ARG 65 7.798 -16.456 7.135 533 1HH2 ARG 65 HH2 ARG 65 10.733 -14.625 6.632 534 2HH2 ARG 65 HH2 ARG 65 9.987 -16.186 6.542 535 H ARG 66 HN ARG 66 9.331 -10.349 3.693 536 HA ARG 66 HA ARG 66 11.671 -10.764 5.303 537 1HB ARG 66 HBR ARG 66 11.785 -10.686 2.869 538 2HB ARG 66 HBS ARG 66 11.233 -8.986 2.882 539 1HG ARG 66 HGS ARG 66 13.654 -9.159 2.514 540 2HG ARG 66 HGR ARG 66 13.276 -8.313 4.040 541 1HD ARG 66 HDS ARG 66 14.262 -9.865 5.281 542 2HD ARG 66 HDR ARG 66 13.560 -11.205 4.331 543 HE ARG 66 HE ARG 66 15.489 -10.186 2.676 544 1HH1 ARG 66 HH1 ARG 66 15.403 -11.618 5.897 545 2HH1 ARG 66 HH1 ARG 66 17.080 -12.047 5.869 546 1HH2 ARG 66 HH2 ARG 66 17.707 -10.649 2.730 547 2HH2 ARG 66 HH2 ARG 66 18.385 -11.501 4.077 548 H PHE 67 HN PHE 67 10.262 -7.687 4.120 549 HA PHE 67 HA PHE 67 11.893 -6.216 5.938 550 1HB PHE 67 HBS PHE 67 10.826 -4.196 5.058 551 2HB PHE 67 HBR PHE 67 11.297 -5.296 3.729 552 HD1 PHE 67 HD2 PHE 67 8.230 -4.665 5.891 553 HD2 PHE 67 HD1 PHE 67 9.914 -5.338 2.035 554 HE1 PHE 67 HE2 PHE 67 5.967 -4.595 4.896 555 HE2 PHE 67 HE1 PHE 67 7.682 -5.250 1.022 556 HZ PHE 67 HZ PHE 67 5.714 -4.801 2.439 557 H LYS 68 HN LYS 68 8.789 -7.621 6.222 558 HA LYS 68 HA LYS 68 7.376 -5.728 7.660 559 1HB LYS 68 HBR LYS 68 7.001 -8.405 6.907 560 2HB LYS 68 HBS LYS 68 6.814 -8.385 8.685 561 1HG LYS 68 HGR LYS 68 5.007 -6.865 8.590 562 2HG LYS 68 HGS LYS 68 5.368 -6.406 6.902 563 1HD LYS 68 HDS LYS 68 3.379 -7.803 7.062 564 2HD LYS 68 HDR LYS 68 4.640 -8.477 6.068 565 1HE LYS 68 HES LYS 68 3.492 -10.130 7.528 566 2HE LYS 68 HER LYS 68 5.269 -10.058 7.699 567 1HZ LYS 68 HZB LYS 68 3.660 -8.423 9.466 568 2HZ LYS 68 HZC LYS 68 3.703 -10.029 9.755 569 3HZ LYS 68 HZA LYS 68 5.089 -9.165 9.744 570 H LYS 69 HN LYS 69 7.378 -4.955 9.648 571 HA LYS 69 HA LYS 69 7.807 -4.653 11.876 572 1HB LYS 69 HBS LYS 69 7.062 -7.303 11.571 573 2HB LYS 69 HBR LYS 69 8.594 -7.407 12.484 574 1HG LYS 69 HGR LYS 69 6.133 -5.791 13.264 575 2HG LYS 69 HGS LYS 69 6.672 -7.325 14.003 576 1HD LYS 69 HDS LYS 69 8.870 -6.081 14.490 577 2HD LYS 69 HDR LYS 69 7.977 -4.630 14.124 578 1HE LYS 69 HES LYS 69 7.705 -4.704 16.382 579 2HE LYS 69 HER LYS 69 6.242 -5.565 15.825 580 1HZ LYS 69 HZB LYS 69 7.440 -7.626 16.182 581 2HZ LYS 69 HZC LYS 69 8.735 -6.814 16.755 582 3HZ LYS 69 HZA LYS 69 7.319 -6.767 17.566 583 1H MET 1 HNB MET 1 -10.762 -1.605 -4.058 584 2H MET 1 HN MET 1 -12.287 -1.413 -3.506 585 3H MET 1 HNC MET 1 -11.358 -2.629 -2.934 586 HA MET 1 HA MET 1 -12.720 -3.723 -4.344 587 1HB MET 1 HBS MET 1 -12.374 -1.270 -6.080 588 2HB MET 1 HBR MET 1 -13.099 -2.779 -6.689 589 1HG MET 1 HGS MET 1 -14.110 -1.443 -4.144 590 2HG MET 1 HGR MET 1 -14.668 -0.921 -5.750 591 1HE MET 1 HME MET 1 -16.676 -1.334 -6.006 592 2HE MET 1 HME MET 1 -16.871 -2.762 -7.053 593 3HE MET 1 HME MET 1 -17.706 -2.690 -5.481 594 H GLU 2 HN GLU 2 -9.964 -3.806 -3.704 595 HA GLU 2 HA GLU 2 -8.084 -4.974 -4.292 596 1HB GLU 2 HBR GLU 2 -9.366 -5.895 -6.826 597 2HB GLU 2 HBS GLU 2 -8.241 -6.637 -5.827 598 1HG GLU 2 HGS GLU 2 -9.956 -6.773 -3.981 599 2HG GLU 2 HGR GLU 2 -11.211 -6.411 -5.198 600 H LEU 3 HN LEU 3 -6.388 -3.896 -4.916 601 HA LEU 3 HA LEU 3 -6.547 -1.619 -6.610 602 1HB LEU 3 HBR LEU 3 -3.978 -3.039 -5.959 603 2HB LEU 3 HBS LEU 3 -4.325 -1.289 -6.049 604 HG LEU 3 HG LEU 3 -5.139 -3.187 -3.831 605 1HD1 LEU 3 HMD LEU 3 -2.683 -2.223 -4.200 606 2HD1 LEU 3 HMD LEU 3 -3.415 -0.773 -3.465 607 3HD1 LEU 3 HMD LEU 3 -3.426 -2.322 -2.584 608 1HD2 LEU 3 HMD LEU 3 -5.779 -0.326 -4.506 609 2HD2 LEU 3 HMD LEU 3 -6.849 -1.621 -3.910 610 3HD2 LEU 3 HMD LEU 3 -5.687 -0.845 -2.804 611 HA PRO 4 HA PRO 4 -5.750 -3.230 -10.653 612 1HB PRO 4 HBR PRO 4 -4.682 -0.867 -11.506 613 2HB PRO 4 HBS PRO 4 -6.197 -1.420 -11.809 614 1HG PRO 4 HGS PRO 4 -5.538 0.677 -10.245 615 2HG PRO 4 HGR PRO 4 -7.063 0.032 -10.444 616 1HD PRO 4 HDS PRO 4 -5.314 -0.272 -8.275 617 2HD PRO 4 HDR PRO 4 -6.937 -0.592 -8.341 618 H ILE 5 HN ILE 5 -4.090 -3.846 -12.037 619 HA ILE 5 HA ILE 5 -1.768 -4.445 -10.364 620 HB ILE 5 HB ILE 5 -1.271 -6.145 -12.089 621 1HG1 ILE 5 HG1 ILE 5 -3.601 -4.869 -13.564 622 2HG1 ILE 5 HG1 ILE 5 -1.892 -4.959 -14.077 623 1HG2 ILE 5 HMG ILE 5 -3.825 -6.024 -10.662 624 2HG2 ILE 5 HMG ILE 5 -3.823 -7.147 -12.047 625 3HG2 ILE 5 HMG ILE 5 -2.609 -7.325 -10.753 626 1HD1 ILE 5 HMD ILE 5 -2.657 -7.619 -13.700 627 2HD1 ILE 5 HMD ILE 5 -4.061 -6.846 -14.484 628 3HD1 ILE 5 HMD ILE 5 -2.452 -6.764 -15.252 629 H ALA 6 HN ALA 6 -2.603 -2.437 -13.060 630 HA ALA 6 HA ALA 6 -0.099 -2.427 -14.413 631 1HB ALA 6 HMB ALA 6 -2.672 -1.163 -14.650 632 2HB ALA 6 HMB ALA 6 -1.383 0.054 -14.834 633 3HB ALA 6 HMB ALA 6 -1.403 -1.389 -15.880 634 HA PRO 7 HA PRO 7 0.650 1.759 -12.037 635 1HB PRO 7 HBR PRO 7 -0.848 1.939 -9.797 636 2HB PRO 7 HBS PRO 7 -1.032 2.857 -11.146 637 1HG PRO 7 HGS PRO 7 -2.615 0.738 -10.268 638 2HG PRO 7 HGR PRO 7 -3.004 1.945 -11.352 639 1HD PRO 7 HDS PRO 7 -2.461 -0.587 -12.021 640 2HD PRO 7 HDR PRO 7 -2.444 0.692 -13.070 641 H ILE 8 HN ILE 8 -0.397 -0.772 -9.894 642 HA ILE 8 HA ILE 8 1.728 -0.692 -8.137 643 HB ILE 8 HB ILE 8 0.236 -3.181 -9.106 644 1HG1 ILE 8 HG1 ILE 8 -0.432 -1.091 -7.006 645 2HG1 ILE 8 HG1 ILE 8 -1.352 -1.510 -8.480 646 1HG2 ILE 8 HMG ILE 8 2.402 -3.256 -7.536 647 2HG2 ILE 8 HMG ILE 8 1.157 -2.950 -6.296 648 3HG2 ILE 8 HMG ILE 8 1.024 -4.375 -7.360 649 1HD1 ILE 8 HMD ILE 8 -1.273 -3.907 -7.141 650 2HD1 ILE 8 HMD ILE 8 -1.387 -2.728 -5.807 651 3HD1 ILE 8 HMD ILE 8 -2.618 -2.737 -7.099 652 H GLY 9 HN GLY 9 1.523 -2.411 -11.245 653 1HA GLY 9 HAR GLY 9 3.943 -3.777 -11.166 654 2HA GLY 9 HAS GLY 9 3.159 -3.205 -12.663 655 H ARG 10 HN ARG 10 3.304 -0.525 -12.542 656 HA ARG 10 HA ARG 10 5.994 -0.202 -13.463 657 1HB ARG 10 HBR ARG 10 5.373 2.011 -14.097 658 2HB ARG 10 HBS ARG 10 4.020 0.908 -14.480 659 1HG ARG 10 HGS ARG 10 2.635 2.247 -13.375 660 2HG ARG 10 HGR ARG 10 3.556 1.954 -11.873 661 1HD ARG 10 HDS ARG 10 3.418 4.307 -12.286 662 2HD ARG 10 HDR ARG 10 5.101 3.755 -12.509 663 HE ARG 10 HE ARG 10 3.424 3.951 -14.919 664 1HH1 ARG 10 HH1 ARG 10 6.127 5.151 -13.000 665 2HH1 ARG 10 HH1 ARG 10 6.625 6.284 -14.211 666 1HH2 ARG 10 HH2 ARG 10 4.022 5.541 -16.421 667 2HH2 ARG 10 HH2 ARG 10 5.433 6.508 -16.145 668 H ILE 11 HN ILE 11 4.438 0.356 -10.425 669 HA ILE 11 HA ILE 11 6.527 1.977 -9.285 670 HB ILE 11 HB ILE 11 4.462 0.115 -8.009 671 1HG1 ILE 11 HG1 ILE 11 4.556 3.132 -8.391 672 2HG1 ILE 11 HG1 ILE 11 3.509 1.975 -9.261 673 1HG2 ILE 11 HMG ILE 11 6.728 1.475 -6.811 674 2HG2 ILE 11 HMG ILE 11 5.176 2.020 -6.120 675 3HG2 ILE 11 HMG ILE 11 5.596 0.286 -6.113 676 1HD1 ILE 11 HMD ILE 11 2.536 1.378 -6.979 677 2HD1 ILE 11 HMD ILE 11 3.375 2.828 -6.365 678 3HD1 ILE 11 HMD ILE 11 2.132 2.987 -7.635 679 H ILE 12 HN ILE 12 5.949 -1.525 -9.555 680 HA ILE 12 HA ILE 12 8.374 -2.309 -8.306 681 HB ILE 12 HB ILE 12 7.125 -3.893 -10.580 682 1HG1 ILE 12 HG1 ILE 12 5.158 -3.263 -9.489 683 2HG1 ILE 12 HG1 ILE 12 5.547 -4.873 -8.829 684 1HG2 ILE 12 HMG ILE 12 9.024 -4.423 -8.505 685 2HG2 ILE 12 HMG ILE 12 7.608 -5.490 -8.315 686 3HG2 ILE 12 HMG ILE 12 8.493 -5.451 -9.863 687 1HD1 ILE 12 HMD ILE 12 6.469 -2.445 -7.334 688 2HD1 ILE 12 HMD ILE 12 4.749 -2.912 -7.265 689 3HD1 ILE 12 HMD ILE 12 6.007 -4.060 -6.735 690 H LYS 13 HN LYS 13 7.581 -1.418 -11.639 691 HA LYS 13 HA LYS 13 10.103 -2.271 -12.811 692 1HB LYS 13 HBR LYS 13 7.652 -0.869 -13.669 693 2HB LYS 13 HBS LYS 13 9.153 -0.261 -14.419 694 1HG LYS 13 HGR LYS 13 9.659 -2.400 -15.361 695 2HG LYS 13 HGS LYS 13 8.395 -3.202 -14.386 696 1HD LYS 13 HDS LYS 13 7.709 -2.978 -16.694 697 2HD LYS 13 HDR LYS 13 6.660 -2.141 -15.582 698 1HE LYS 13 HES LYS 13 8.233 -0.086 -16.164 699 2HE LYS 13 HER LYS 13 8.471 -1.049 -17.649 700 1HZ LYS 13 HZA LYS 13 5.968 -1.159 -17.673 701 2HZ LYS 13 HZB LYS 13 5.981 0.061 -16.588 702 3HZ LYS 13 HZC LYS 13 6.645 0.275 -18.065 703 H ASP 14 HN ASP 14 8.643 0.855 -11.839 704 HA ASP 14 HA ASP 14 10.840 2.431 -12.002 705 1HB ASP 14 HBS ASP 14 8.521 3.129 -11.451 706 2HB ASP 14 HBR ASP 14 8.838 2.624 -9.764 707 H ALA 15 HN ALA 15 10.030 0.231 -9.366 708 HA ALA 15 HA ALA 15 12.174 0.567 -7.675 709 1HB ALA 15 HMB ALA 15 10.218 -1.397 -8.177 710 2HB ALA 15 HMB ALA 15 11.788 -2.241 -8.163 711 3HB ALA 15 HMB ALA 15 11.295 -1.254 -6.763 712 H GLY 16 HN GLY 16 12.112 -1.260 -10.728 713 1HA GLY 16 HAR GLY 16 14.296 -1.366 -11.936 714 2HA GLY 16 HAS GLY 16 15.024 -1.873 -10.389 715 H ALA 17 HN ALA 17 11.816 -2.970 -11.190 716 HA ALA 17 HA ALA 17 12.600 -5.691 -11.235 717 1HB ALA 17 HMB ALA 17 10.405 -4.626 -10.491 718 2HB ALA 17 HMB ALA 17 9.959 -4.609 -12.216 719 3HB ALA 17 HMB ALA 17 10.306 -6.155 -11.401 720 H GLU 18 HN GLU 18 11.373 -7.090 -13.048 721 HA GLU 18 HA GLU 18 11.132 -6.041 -15.650 722 1HB GLU 18 HBR GLU 18 13.719 -6.203 -15.131 723 2HB GLU 18 HBS GLU 18 13.473 -7.850 -15.343 724 1HG GLU 18 HGS GLU 18 14.198 -7.218 -17.440 725 2HG GLU 18 HGR GLU 18 12.438 -7.408 -17.669 726 H ARG 19 HN ARG 19 12.268 -9.023 -14.004 727 HA ARG 19 HA ARG 19 10.122 -10.551 -15.338 728 1HB ARG 19 HBR ARG 19 12.470 -11.408 -13.618 729 2HB ARG 19 HBS ARG 19 11.232 -12.514 -14.284 730 1HG ARG 19 HGS ARG 19 12.750 -12.770 -15.937 731 2HG ARG 19 HGR ARG 19 12.016 -11.263 -16.552 732 1HD ARG 19 HDS ARG 19 14.240 -10.754 -16.628 733 2HD ARG 19 HDR ARG 19 13.778 -10.114 -15.026 734 HE ARG 19 HE ARG 19 15.298 -12.617 -15.527 735 1HH1 ARG 19 HH1 ARG 19 13.945 -10.308 -13.232 736 2HH1 ARG 19 HH1 ARG 19 15.058 -10.736 -11.977 737 1HH2 ARG 19 HH2 ARG 19 16.819 -13.058 -13.905 738 2HH2 ARG 19 HH2 ARG 19 16.684 -12.294 -12.356 739 H VAL 20 HN VAL 20 8.226 -10.355 -14.385 740 HA VAL 20 HA VAL 20 8.038 -11.384 -11.648 741 HB VAL 20 HB VAL 20 6.528 -8.883 -12.415 742 1HG1 VAL 20 HMG VAL 20 6.587 -10.649 -10.033 743 2HG1 VAL 20 HMG VAL 20 6.541 -8.896 -9.726 744 3HG1 VAL 20 HMG VAL 20 5.270 -9.662 -10.710 745 1HG2 VAL 20 HMG VAL 20 9.131 -9.159 -10.914 746 2HG2 VAL 20 HMG VAL 20 8.764 -8.156 -12.338 747 3HG2 VAL 20 HMG VAL 20 8.064 -7.742 -10.754 748 H SER 21 HN SER 21 5.735 -11.913 -11.117 749 HA SER 21 HA SER 21 4.304 -12.792 -13.575 750 1HB SER 21 HBS SER 21 5.299 -14.694 -12.625 751 2HB SER 21 HBR SER 21 4.828 -14.226 -10.965 752 HG SER 21 HG SER 21 2.866 -14.882 -11.174 753 H ASP 22 HN ASP 22 2.030 -13.128 -13.385 754 HA ASP 22 HA ASP 22 0.840 -10.777 -12.460 755 1HB ASP 22 HBS ASP 22 0.167 -12.599 -14.287 756 2HB ASP 22 HBR ASP 22 -0.961 -13.063 -12.980 757 H ASP 23 HN ASP 23 1.146 -13.911 -10.938 758 HA ASP 23 HA ASP 23 -0.913 -13.527 -8.962 759 1HB ASP 23 HBS ASP 23 0.888 -15.607 -9.718 760 2HB ASP 23 HBR ASP 23 1.019 -15.311 -7.960 761 H ALA 24 HN ALA 24 2.462 -12.654 -9.282 762 HA ALA 24 HA ALA 24 2.837 -11.684 -6.597 763 1HB ALA 24 HMB ALA 24 4.288 -11.749 -9.097 764 2HB ALA 24 HMB ALA 24 4.385 -10.137 -8.345 765 3HB ALA 24 HMB ALA 24 4.885 -11.579 -7.427 766 H ARG 25 HN ARG 25 1.786 -10.209 -9.675 767 HA ARG 25 HA ARG 25 1.615 -7.571 -8.799 768 1HB ARG 25 HBR ARG 25 0.907 -9.030 -11.122 769 2HB ARG 25 HBS ARG 25 -0.543 -8.110 -10.626 770 1HG ARG 25 HGS ARG 25 0.581 -6.687 -12.113 771 2HG ARG 25 HGR ARG 25 1.019 -6.074 -10.493 772 1HD ARG 25 HDS ARG 25 2.703 -8.004 -12.082 773 2HD ARG 25 HDR ARG 25 2.898 -6.230 -12.131 774 HE ARG 25 HE ARG 25 3.956 -7.951 -10.164 775 1HH1 ARG 25 HH1 ARG 25 2.384 -4.811 -10.489 776 2HH1 ARG 25 HH1 ARG 25 2.919 -4.261 -8.936 777 1HH2 ARG 25 HH2 ARG 25 4.523 -7.247 -8.087 778 2HH2 ARG 25 HH2 ARG 25 4.139 -5.636 -7.580 779 H ILE 26 HN ILE 26 -1.022 -9.991 -8.980 780 HA ILE 26 HA ILE 26 -2.996 -8.490 -7.755 781 HB ILE 26 HB ILE 26 -2.544 -11.512 -7.630 782 1HG1 ILE 26 HG1 ILE 26 -4.038 -9.736 -9.595 783 2HG1 ILE 26 HG1 ILE 26 -2.550 -10.676 -9.897 784 1HG2 ILE 26 HMG ILE 26 -4.752 -9.822 -6.640 785 2HG2 ILE 26 HMG ILE 26 -5.233 -11.240 -7.608 786 3HG2 ILE 26 HMG ILE 26 -4.229 -11.454 -6.149 787 1HD1 ILE 26 HMD ILE 26 -4.244 -12.647 -9.100 788 2HD1 ILE 26 HMD ILE 26 -5.380 -11.524 -9.895 789 3HD1 ILE 26 HMD ILE 26 -3.980 -12.162 -10.797 790 H THR 27 HN THR 27 -0.491 -10.506 -6.242 791 HA THR 27 HA THR 27 -1.671 -10.529 -3.712 792 HB THR 27 HB THR 27 0.191 -12.081 -4.663 793 HG1 THR 27 HG1 THR 27 -0.470 -12.513 -3.028 794 1HG2 THR 27 HMG THR 27 1.860 -9.755 -3.823 795 2HG2 THR 27 HMG THR 27 2.434 -11.396 -3.428 796 3HG2 THR 27 HMG THR 27 2.110 -10.950 -5.123 797 H LEU 28 HN LEU 28 0.947 -8.442 -4.956 798 HA LEU 28 HA LEU 28 1.276 -6.791 -2.712 799 1HB LEU 28 HBR LEU 28 2.218 -7.029 -5.297 800 2HB LEU 28 HBS LEU 28 1.369 -5.462 -5.328 801 HG LEU 28 HG LEU 28 2.838 -4.470 -3.834 802 1HD1 LEU 28 HMD LEU 28 3.054 -7.101 -2.696 803 2HD1 LEU 28 HMD LEU 28 4.683 -6.475 -3.056 804 3HD1 LEU 28 HMD LEU 28 3.573 -5.534 -2.028 805 1HD2 LEU 28 HMD LEU 28 4.034 -6.284 -5.863 806 2HD2 LEU 28 HMD LEU 28 4.093 -4.508 -5.717 807 3HD2 LEU 28 HMD LEU 28 5.152 -5.522 -4.703 808 H ALA 29 HN ALA 29 -1.057 -6.598 -5.391 809 HA ALA 29 HA ALA 29 -2.287 -4.232 -4.733 810 1HB ALA 29 HMB ALA 29 -2.834 -6.488 -6.403 811 2HB ALA 29 HMB ALA 29 -4.341 -5.993 -5.590 812 3HB ALA 29 HMB ALA 29 -3.414 -4.809 -6.544 813 H LYS 30 HN LYS 30 -3.057 -7.480 -3.482 814 HA LYS 30 HA LYS 30 -5.095 -6.450 -1.706 815 1HB LYS 30 HBR LYS 30 -4.409 -8.952 -2.758 816 2HB LYS 30 HBS LYS 30 -4.099 -9.089 -1.004 817 1HG LYS 30 HGR LYS 30 -6.419 -8.229 -0.590 818 2HG LYS 30 HGS LYS 30 -6.706 -8.288 -2.353 819 1HD LYS 30 HDS LYS 30 -7.267 -10.399 -2.235 820 2HD LYS 30 HDR LYS 30 -5.670 -10.787 -1.658 821 1HE LYS 30 HES LYS 30 -6.800 -11.625 0.091 822 2HE LYS 30 HER LYS 30 -6.698 -9.927 0.641 823 1HZ LYS 30 HZC LYS 30 -8.879 -9.688 -0.595 824 2HZ LYS 30 HZA LYS 30 -8.973 -11.318 -0.553 825 3HZ LYS 30 HZB LYS 30 -8.907 -10.468 0.839 826 H ILE 31 HN ILE 31 -1.675 -7.002 -1.538 827 HA ILE 31 HA ILE 31 -1.409 -7.323 1.324 828 HB ILE 31 HB ILE 31 0.462 -6.600 -0.966 829 1HG1 ILE 31 HG1 ILE 31 0.685 -8.975 0.878 830 2HG1 ILE 31 HG1 ILE 31 -0.551 -8.947 -0.412 831 1HG2 ILE 31 HMG ILE 31 0.957 -5.730 1.610 832 2HG2 ILE 31 HMG ILE 31 1.844 -7.274 1.509 833 3HG2 ILE 31 HMG ILE 31 2.161 -5.984 0.320 834 1HD1 ILE 31 HMD ILE 31 1.798 -8.185 -1.701 835 2HD1 ILE 31 HMD ILE 31 2.311 -9.465 -0.572 836 3HD1 ILE 31 HMD ILE 31 1.019 -9.788 -1.758 837 H LEU 32 HN LEU 32 -0.304 -4.588 -0.694 838 HA LEU 32 HA LEU 32 -0.288 -2.711 1.277 839 1HB LEU 32 HBR LEU 32 -0.626 -2.595 -1.709 840 2HB LEU 32 HBS LEU 32 -0.623 -1.092 -0.742 841 HG LEU 32 HG LEU 32 1.640 -2.227 0.173 842 1HD1 LEU 32 HMD LEU 32 0.967 -3.606 -2.320 843 2HD1 LEU 32 HMD LEU 32 2.549 -2.791 -2.380 844 3HD1 LEU 32 HMD LEU 32 2.209 -3.981 -1.098 845 1HD2 LEU 32 HMD LEU 32 1.098 -0.500 -2.251 846 2HD2 LEU 32 HMD LEU 32 1.524 0.007 -0.598 847 3HD2 LEU 32 HMD LEU 32 2.742 -0.791 -1.627 848 H GLU 33 HN GLU 33 -3.052 -3.650 -0.723 849 HA GLU 33 HA GLU 33 -4.770 -1.526 0.024 850 1HB GLU 33 HBR GLU 33 -5.050 -3.020 -1.892 851 2HB GLU 33 HBS GLU 33 -5.186 -4.342 -0.868 852 1HG GLU 33 HGS GLU 33 -7.248 -3.554 0.139 853 2HG GLU 33 HGR GLU 33 -7.281 -2.124 -0.927 854 H GLU 34 HN GLU 34 -4.274 -4.780 1.404 855 HA GLU 34 HA GLU 34 -6.152 -4.660 3.486 856 1HB GLU 34 HBR GLU 34 -3.551 -6.029 2.964 857 2HB GLU 34 HBS GLU 34 -4.081 -5.970 4.555 858 1HG GLU 34 HGS GLU 34 -6.396 -6.685 3.202 859 2HG GLU 34 HGR GLU 34 -5.144 -7.713 2.451 860 H MET 35 HN MET 35 -2.807 -3.441 3.310 861 HA MET 35 HA MET 35 -2.723 -2.239 5.869 862 1HB MET 35 HBS MET 35 -1.173 -2.139 3.392 863 2HB MET 35 HBR MET 35 -1.221 -0.573 4.254 864 1HG MET 35 HGS MET 35 -0.424 -1.640 6.309 865 2HG MET 35 HGR MET 35 -0.518 -3.242 5.538 866 1HE MET 35 HME MET 35 1.126 0.255 5.590 867 2HE MET 35 HME MET 35 1.990 -0.862 6.675 868 3HE MET 35 HME MET 35 2.822 -0.177 5.256 869 H GLY 36 HN GLY 36 -3.759 -0.943 2.706 870 1HA GLY 36 HAR GLY 36 -4.103 1.711 3.534 871 2HA GLY 36 HAS GLY 36 -4.891 0.971 2.114 872 H ARG 37 HN ARG 37 -6.408 -1.005 3.444 873 HA ARG 37 HA ARG 37 -8.690 0.403 4.479 874 1HB ARG 37 HBR ARG 37 -7.838 -2.443 4.200 875 2HB ARG 37 HBS ARG 37 -9.069 -2.064 5.439 876 1HG ARG 37 HGS ARG 37 -10.659 -1.490 3.887 877 2HG ARG 37 HGR ARG 37 -9.452 -0.987 2.670 878 1HD ARG 37 HDS ARG 37 -10.705 -3.069 2.126 879 2HD ARG 37 HDR ARG 37 -8.927 -3.233 2.144 880 HE ARG 37 HE ARG 37 -10.553 -4.048 4.495 881 1HH1 ARG 37 HH1 ARG 37 -8.498 -4.945 1.774 882 2HH1 ARG 37 HH1 ARG 37 -8.029 -6.453 2.484 883 1HH2 ARG 37 HH2 ARG 37 -9.812 -5.965 5.450 884 2HH2 ARG 37 HH2 ARG 37 -8.770 -7.030 4.565 885 H ASP 38 HN ASP 38 -5.834 -1.133 5.885 886 HA ASP 38 HA ASP 38 -6.637 -0.975 8.549 887 1HB ASP 38 HBS ASP 38 -4.292 -1.711 7.121 888 2HB ASP 38 HBR ASP 38 -3.829 -0.667 8.497 889 H ILE 39 HN ILE 39 -4.783 1.393 6.636 890 HA ILE 39 HA ILE 39 -4.426 3.221 8.881 891 HB ILE 39 HB ILE 39 -4.233 3.970 5.937 892 1HG1 ILE 39 HG1 ILE 39 -1.855 2.844 7.411 893 2HG1 ILE 39 HG1 ILE 39 -3.019 1.744 6.622 894 1HG2 ILE 39 HMG ILE 39 -2.864 4.937 8.446 895 2HG2 ILE 39 HMG ILE 39 -2.353 5.388 6.798 896 3HG2 ILE 39 HMG ILE 39 -3.981 5.829 7.379 897 1HD1 ILE 39 HMD ILE 39 -1.621 4.012 5.185 898 2HD1 ILE 39 HMD ILE 39 -0.994 2.343 5.255 899 3HD1 ILE 39 HMD ILE 39 -2.563 2.674 4.474 900 H ALA 40 HN ALA 40 -6.906 2.373 6.661 901 HA ALA 40 HA ALA 40 -8.218 4.931 6.381 902 1HB ALA 40 HMB ALA 40 -8.518 2.966 4.863 903 2HB ALA 40 HMB ALA 40 -9.418 2.160 6.172 904 3HB ALA 40 HMB ALA 40 -10.033 3.678 5.472 905 H SER 41 HN SER 41 -9.434 2.003 8.033 906 HA SER 41 HA SER 41 -11.207 3.371 9.694 907 1HB SER 41 HBS SER 41 -10.182 0.647 9.472 908 2HB SER 41 HBR SER 41 -10.586 1.107 11.152 909 HG SER 41 HG SER 41 -12.181 0.158 9.379 910 H GLU 42 HN GLU 42 -7.783 2.874 10.028 911 HA GLU 42 HA GLU 42 -7.650 3.692 12.769 912 1HB GLU 42 HBR GLU 42 -5.824 3.165 10.481 913 2HB GLU 42 HBS GLU 42 -5.247 4.222 11.650 914 1HG GLU 42 HGS GLU 42 -6.005 1.364 12.055 915 2HG GLU 42 HGR GLU 42 -4.435 2.114 12.452 916 H ALA 43 HN ALA 43 -7.131 5.382 9.663 917 HA ALA 43 HA ALA 43 -6.834 7.976 10.880 918 1HB ALA 43 HMB ALA 43 -7.498 7.119 8.051 919 2HB ALA 43 HMB ALA 43 -7.131 8.787 8.565 920 3HB ALA 43 HMB ALA 43 -5.893 7.514 8.718 921 H ILE 44 HN ILE 44 -9.507 5.929 10.301 922 HA ILE 44 HA ILE 44 -11.423 8.101 10.169 923 HB ILE 44 HB ILE 44 -11.625 5.056 10.167 924 1HG1 ILE 44 HG1 ILE 44 -12.329 6.963 7.926 925 2HG1 ILE 44 HG1 ILE 44 -10.641 6.461 8.232 926 1HG2 ILE 44 HMG ILE 44 -13.804 7.063 10.370 927 2HG2 ILE 44 HMG ILE 44 -14.026 5.723 9.214 928 3HG2 ILE 44 HMG ILE 44 -13.724 5.374 10.937 929 1HD1 ILE 44 HMD ILE 44 -11.943 4.052 8.199 930 2HD1 ILE 44 HMD ILE 44 -12.874 4.988 7.000 931 3HD1 ILE 44 HMD ILE 44 -11.112 4.790 6.805 932 H LYS 45 HN LYS 45 -10.870 5.362 12.418 933 HA LYS 45 HA LYS 45 -12.300 6.402 14.638 934 1HB LYS 45 HBR LYS 45 -10.070 4.454 14.250 935 2HB LYS 45 HBS LYS 45 -10.303 5.142 15.882 936 1HG LYS 45 HGR LYS 45 -12.810 4.453 15.513 937 2HG LYS 45 HGS LYS 45 -12.128 3.363 14.271 938 1HD LYS 45 HDS LYS 45 -10.607 2.426 15.987 939 2HD LYS 45 HDR LYS 45 -11.372 3.437 17.183 940 1HE LYS 45 HES LYS 45 -12.699 1.698 17.572 941 2HE LYS 45 HER LYS 45 -13.540 2.225 16.086 942 1HZ LYS 45 HZA LYS 45 -11.248 0.506 15.753 943 2HZ LYS 45 HZB LYS 45 -12.582 -0.185 16.393 944 3HZ LYS 45 HZC LYS 45 -12.659 0.539 14.932 945 H LEU 46 HN LEU 46 -9.300 7.309 13.141 946 HA LEU 46 HA LEU 46 -8.324 8.995 15.291 947 1HB LEU 46 HBR LEU 46 -7.738 8.452 12.418 948 2HB LEU 46 HBS LEU 46 -7.217 10.025 13.087 949 HG LEU 46 HG LEU 46 -6.468 7.416 14.398 950 1HD1 LEU 46 HMD LEU 46 -4.995 8.903 12.198 951 2HD1 LEU 46 HMD LEU 46 -4.325 7.574 13.179 952 3HD1 LEU 46 HMD LEU 46 -5.702 7.270 12.089 953 1HD2 LEU 46 HMD LEU 46 -5.375 10.247 14.354 954 2HD2 LEU 46 HMD LEU 46 -6.195 9.425 15.706 955 3HD2 LEU 46 HMD LEU 46 -4.588 8.872 15.169 956 H ALA 47 HN ALA 47 -10.115 9.555 12.240 957 HA ALA 47 HA ALA 47 -10.159 12.335 12.446 958 1HB ALA 47 HMB ALA 47 -10.953 10.467 10.605 959 2HB ALA 47 HMB ALA 47 -12.505 11.181 11.111 960 3HB ALA 47 HMB ALA 47 -11.207 12.226 10.479 961 H ARG 48 HN ARG 48 -12.231 9.931 13.916 962 HA ARG 48 HA ARG 48 -14.151 11.915 14.856 963 1HB ARG 48 HBR ARG 48 -14.050 9.062 14.590 964 2HB ARG 48 HBS ARG 48 -14.398 9.474 16.294 965 1HG ARG 48 HGS ARG 48 -15.943 10.506 13.893 966 2HG ARG 48 HGR ARG 48 -16.442 9.141 14.933 967 1HD ARG 48 HDS ARG 48 -16.110 10.891 16.847 968 2HD ARG 48 HDR ARG 48 -16.322 12.066 15.518 969 HE ARG 48 HE ARG 48 -18.561 11.484 15.396 970 1HH1 ARG 48 HH1 ARG 48 -16.859 8.913 17.106 971 2HH1 ARG 48 HH1 ARG 48 -18.317 8.220 17.737 972 1HH2 ARG 48 HH2 ARG 48 -20.433 10.626 16.344 973 2HH2 ARG 48 HH2 ARG 48 -20.339 9.188 17.304 974 H HIS 49 HN HIS 49 -11.450 10.021 16.159 975 HA HIS 49 HA HIS 49 -11.562 10.902 18.835 976 1HB HIS 49 HBS HIS 49 -9.992 9.127 18.030 977 2HB HIS 49 HBR HIS 49 -9.020 10.397 17.231 978 HD1 HIS 49 HD1 HIS 49 -6.925 10.499 18.698 979 HD2 HIS 49 HD2 HIS 49 -10.456 10.510 20.907 980 HE1 HIS 49 HE1 HIS 49 -6.254 10.743 21.101 981 HE2 HIS 49 HE2 HIS 49 -8.386 10.731 22.445 982 H ALA 50 HN ALA 50 -10.243 12.414 15.916 983 HA ALA 50 HA ALA 50 -9.310 14.845 17.132 984 1HB ALA 50 HMB ALA 50 -9.246 13.796 14.630 985 2HB ALA 50 HMB ALA 50 -10.559 14.987 14.461 986 3HB ALA 50 HMB ALA 50 -8.949 15.509 15.019 987 H GLY 51 HN GLY 51 -12.433 13.762 15.786 988 1HA GLY 51 HAR GLY 51 -14.584 14.609 16.075 989 2HA GLY 51 HAS GLY 51 -13.941 15.794 17.242 990 H ARG 52 HN ARG 52 -13.098 15.092 13.833 991 HA ARG 52 HA ARG 52 -13.374 18.009 13.287 992 1HB ARG 52 HBR ARG 52 -11.043 17.101 13.443 993 2HB ARG 52 HBS ARG 52 -11.412 16.066 12.033 994 1HG ARG 52 HGS ARG 52 -10.282 17.899 11.120 995 2HG ARG 52 HGR ARG 52 -12.007 18.260 10.823 996 1HD ARG 52 HDS ARG 52 -10.405 19.295 13.161 997 2HD ARG 52 HDR ARG 52 -10.681 20.186 11.639 998 HE ARG 52 HE ARG 52 -12.570 19.790 13.807 999 1HH1 ARG 52 HH1 ARG 52 -12.376 20.153 10.306 1000 2HH1 ARG 52 HH1 ARG 52 -13.870 21.024 10.204 1001 1HH2 ARG 52 HH2 ARG 52 -14.451 21.044 13.650 1002 2HH2 ARG 52 HH2 ARG 52 -15.046 21.527 12.097 1003 H LYS 53 HN LYS 53 -14.288 14.825 12.386 1004 HA LYS 53 HA LYS 53 -15.741 14.032 10.804 1005 1HB LYS 53 HBR LYS 53 -16.396 16.957 10.332 1006 2HB LYS 53 HBS LYS 53 -17.391 15.534 9.908 1007 1HG LYS 53 HGR LYS 53 -16.695 16.488 12.714 1008 2HG LYS 53 HGS LYS 53 -18.280 16.633 11.900 1009 1HD LYS 53 HDS LYS 53 -16.895 14.121 12.825 1010 2HD LYS 53 HDR LYS 53 -18.352 14.844 13.451 1011 1HE LYS 53 HES LYS 53 -19.425 13.387 12.160 1012 2HE LYS 53 HER LYS 53 -19.038 14.536 10.848 1013 1HZ LYS 53 HZA LYS 53 -17.170 12.414 11.580 1014 2HZ LYS 53 HZB LYS 53 -18.412 12.112 10.563 1015 3HZ LYS 53 HZC LYS 53 -17.291 13.234 10.173 1016 H THR 54 HN THR 54 -12.955 15.138 10.101 1017 HA THR 54 HA THR 54 -13.283 14.457 7.281 1018 HB THR 54 HB THR 54 -11.561 16.903 7.914 1019 HG1 THR 54 HG1 THR 54 -13.041 18.062 7.336 1020 1HG2 THR 54 HMG THR 54 -12.644 15.679 5.377 1021 2HG2 THR 54 HMG THR 54 -12.061 17.362 5.453 1022 3HG2 THR 54 HMG THR 54 -10.952 16.017 5.824 1023 H ILE 55 HN ILE 55 -11.661 13.235 6.550 1024 HA ILE 55 HA ILE 55 -9.360 12.719 8.354 1025 HB ILE 55 HB ILE 55 -10.262 11.214 5.850 1026 1HG1 ILE 55 HG1 ILE 55 -10.684 10.512 8.781 1027 2HG1 ILE 55 HG1 ILE 55 -11.928 11.165 7.678 1028 1HG2 ILE 55 HMG ILE 55 -7.953 10.926 7.671 1029 2HG2 ILE 55 HMG ILE 55 -8.815 9.421 7.255 1030 3HG2 ILE 55 HMG ILE 55 -8.151 10.454 5.962 1031 1HD1 ILE 55 HMD ILE 55 -11.257 9.048 6.233 1032 2HD1 ILE 55 HMD ILE 55 -10.732 8.428 7.822 1033 3HD1 ILE 55 HMD ILE 55 -12.425 8.934 7.577 1034 H LYS 56 HN LYS 56 -7.255 12.882 7.605 1035 HA LYS 56 HA LYS 56 -6.797 14.504 5.165 1036 1HB LYS 56 HBR LYS 56 -6.175 15.368 8.006 1037 2HB LYS 56 HBS LYS 56 -5.473 16.115 6.542 1038 1HG LYS 56 HGR LYS 56 -7.397 17.221 6.015 1039 2HG LYS 56 HGS LYS 56 -8.447 15.917 6.642 1040 1HD LYS 56 HDS LYS 56 -8.896 17.472 8.196 1041 2HD LYS 56 HDR LYS 56 -7.549 16.665 8.950 1042 1HE LYS 56 HES LYS 56 -6.768 18.738 9.243 1043 2HE LYS 56 HER LYS 56 -6.202 18.522 7.563 1044 1HZ LYS 56 HZA LYS 56 -8.862 19.417 7.623 1045 2HZ LYS 56 HZB LYS 56 -7.920 20.433 8.488 1046 3HZ LYS 56 HZC LYS 56 -7.556 20.112 6.928 1047 H ALA 57 HN ALA 57 -4.378 15.061 5.072 1048 HA ALA 57 HA ALA 57 -2.826 12.744 5.012 1049 1HB ALA 57 HMB ALA 57 -1.916 15.629 5.224 1050 2HB ALA 57 HMB ALA 57 -0.915 14.246 4.710 1051 3HB ALA 57 HMB ALA 57 -2.317 14.745 3.729 1052 H GLU 58 HN GLU 58 -3.559 14.860 7.661 1053 HA GLU 58 HA GLU 58 -1.387 14.047 9.347 1054 1HB GLU 58 HBR GLU 58 -4.088 15.174 10.099 1055 2HB GLU 58 HBS GLU 58 -2.703 15.118 11.045 1056 1HG GLU 58 HGS GLU 58 -2.527 17.273 10.387 1057 2HG GLU 58 HGR GLU 58 -1.490 16.514 9.148 1058 H ASP 59 HN ASP 59 -4.838 13.124 9.140 1059 HA ASP 59 HA ASP 59 -4.631 11.152 11.165 1060 1HB ASP 59 HBS ASP 59 -6.693 12.148 9.352 1061 2HB ASP 59 HBR ASP 59 -6.847 10.414 9.757 1062 H ILE 60 HN ILE 60 -3.717 11.151 7.875 1063 HA ILE 60 HA ILE 60 -3.953 8.262 7.456 1064 HB ILE 60 HB ILE 60 -3.189 10.658 5.879 1065 1HG1 ILE 60 HG1 ILE 60 -4.325 9.444 4.123 1066 2HG1 ILE 60 HG1 ILE 60 -4.332 7.953 5.110 1067 1HG2 ILE 60 HMG ILE 60 -1.608 8.126 5.468 1068 2HG2 ILE 60 HMG ILE 60 -2.016 9.230 4.126 1069 3HG2 ILE 60 HMG ILE 60 -1.053 9.821 5.507 1070 1HD1 ILE 60 HMD ILE 60 -5.715 10.527 5.916 1071 2HD1 ILE 60 HMD ILE 60 -6.519 9.182 5.064 1072 3HD1 ILE 60 HMD ILE 60 -5.845 8.929 6.696 1073 H GLU 61 HN GLU 61 -1.352 10.646 8.105 1074 HA GLU 61 HA GLU 61 0.659 8.527 8.426 1075 1HB GLU 61 HBR GLU 61 0.546 11.526 8.587 1076 2HB GLU 61 HBS GLU 61 1.796 10.699 9.341 1077 1HG GLU 61 HGS GLU 61 2.817 9.922 7.486 1078 2HG GLU 61 HGR GLU 61 1.343 9.894 6.481 1079 H LEU 62 HN LEU 62 -1.734 10.097 10.324 1080 HA LEU 62 HA LEU 62 -0.519 9.383 12.892 1081 1HB LEU 62 HBR LEU 62 -3.101 10.569 11.916 1082 2HB LEU 62 HBS LEU 62 -2.999 9.895 13.568 1083 HG LEU 62 HG LEU 62 -0.951 11.895 12.706 1084 1HD1 LEU 62 HMD LEU 62 -3.550 12.520 12.248 1085 2HD1 LEU 62 HMD LEU 62 -3.411 12.960 13.969 1086 3HD1 LEU 62 HMD LEU 62 -2.319 13.697 12.770 1087 1HD2 LEU 62 HMD LEU 62 -0.919 10.648 14.868 1088 2HD2 LEU 62 HMD LEU 62 -1.020 12.416 15.061 1089 3HD2 LEU 62 HMD LEU 62 -2.475 11.411 15.285 1090 H ALA 63 HN ALA 63 -3.218 8.235 10.842 1091 HA ALA 63 HA ALA 63 -3.749 5.825 12.190 1092 1HB ALA 63 HMB ALA 63 -3.907 6.502 9.241 1093 2HB ALA 63 HMB ALA 63 -4.627 5.064 10.009 1094 3HB ALA 63 HMB ALA 63 -5.190 6.693 10.463 1095 H VAL 64 HN VAL 64 -1.316 6.642 9.735 1096 HA VAL 64 HA VAL 64 -0.174 3.990 9.584 1097 HB VAL 64 HB VAL 64 0.705 6.760 8.769 1098 1HG1 VAL 64 HMG VAL 64 2.341 4.227 8.636 1099 2HG1 VAL 64 HMG VAL 64 2.579 5.577 7.501 1100 3HG1 VAL 64 HMG VAL 64 2.801 5.835 9.247 1101 1HG2 VAL 64 HMG VAL 64 -0.822 4.690 7.547 1102 2HG2 VAL 64 HMG VAL 64 -0.394 6.302 6.924 1103 3HG2 VAL 64 HMG VAL 64 0.681 4.915 6.622 1104 H ARG 65 HN ARG 65 1.335 6.967 10.868 1105 HA ARG 65 HA ARG 65 3.330 5.646 12.150 1106 1HB ARG 65 HBR ARG 65 3.256 8.091 11.725 1107 2HB ARG 65 HBS ARG 65 2.147 8.272 13.115 1108 1HG ARG 65 HGS ARG 65 4.466 6.822 13.974 1109 2HG ARG 65 HGR ARG 65 4.996 8.281 13.091 1110 1HD ARG 65 HDS ARG 65 4.680 8.603 15.530 1111 2HD ARG 65 HDR ARG 65 3.708 9.693 14.501 1112 HE ARG 65 HE ARG 65 1.909 7.796 14.945 1113 1HH1 ARG 65 HH1 ARG 65 4.314 8.933 17.261 1114 2HH1 ARG 65 HH1 ARG 65 3.242 8.782 18.612 1115 1HH2 ARG 65 HH2 ARG 65 0.494 7.751 16.715 1116 2HH2 ARG 65 HH2 ARG 65 1.079 8.117 18.304 1117 H ARG 66 HN ARG 66 0.081 5.875 13.226 1118 HA ARG 66 HA ARG 66 0.670 4.708 15.849 1119 1HB ARG 66 HBR ARG 66 -1.452 6.078 15.025 1120 2HB ARG 66 HBS ARG 66 -2.010 4.448 14.548 1121 1HG ARG 66 HGS ARG 66 -1.240 3.891 17.047 1122 2HG ARG 66 HGR ARG 66 -1.596 5.629 17.259 1123 1HD ARG 66 HDS ARG 66 -3.560 3.928 15.805 1124 2HD ARG 66 HDR ARG 66 -3.436 3.774 17.579 1125 HE ARG 66 HE ARG 66 -4.414 6.089 16.066 1126 1HH1 ARG 66 HH1 ARG 66 -3.684 4.603 19.180 1127 2HH1 ARG 66 HH1 ARG 66 -4.390 5.899 20.087 1128 1HH2 ARG 66 HH2 ARG 66 -5.215 7.823 17.288 1129 2HH2 ARG 66 HH2 ARG 66 -5.261 7.718 19.016 1130 H PHE 67 HN PHE 67 -0.977 3.555 12.874 1131 HA PHE 67 HA PHE 67 -1.580 1.173 14.078 1132 1HB PHE 67 HBR PHE 67 -2.601 0.420 12.118 1133 2HB PHE 67 HBS PHE 67 -2.693 2.195 12.009 1134 HD1 PHE 67 HD2 PHE 67 0.569 1.917 11.120 1135 HD2 PHE 67 HD1 PHE 67 -3.212 0.455 9.811 1136 HE1 PHE 67 HE2 PHE 67 1.414 1.825 8.795 1137 HE2 PHE 67 HE1 PHE 67 -2.323 0.131 7.548 1138 HZ PHE 67 HZ PHE 67 -0.019 0.839 7.029 1139 H LYS 68 HN LYS 68 1.410 2.021 12.713 1140 HA LYS 68 HA LYS 68 2.340 -0.491 11.964 1141 1HB LYS 68 HBR LYS 68 3.400 1.733 11.479 1142 2HB LYS 68 HBS LYS 68 4.040 1.726 13.147 1143 1HG LYS 68 HGR LYS 68 5.728 0.979 11.512 1144 2HG LYS 68 HGS LYS 68 5.313 -0.313 12.675 1145 1HD LYS 68 HDS LYS 68 3.534 -0.775 10.648 1146 2HD LYS 68 HDR LYS 68 4.909 -0.158 9.774 1147 1HE LYS 68 HES LYS 68 6.209 -1.943 10.196 1148 2HE LYS 68 HER LYS 68 5.525 -2.172 11.831 1149 1HZ LYS 68 HZA LYS 68 3.455 -2.800 10.390 1150 2HZ LYS 68 HZB LYS 68 4.597 -3.197 9.292 1151 3HZ LYS 68 HZC LYS 68 4.600 -3.901 10.766 1152 H LYS 69 HN LYS 69 2.220 1.024 15.140 1153 HA LYS 69 HA LYS 69 2.812 -1.616 16.313 1154 1HB LYS 69 HBR LYS 69 3.901 0.790 17.732 1155 2HB LYS 69 HBS LYS 69 4.360 -0.932 17.859 1156 1HG LYS 69 HGR LYS 69 4.908 0.648 15.338 1157 2HG LYS 69 HGS LYS 69 6.016 0.726 16.738 1158 1HD LYS 69 HDS LYS 69 6.070 -1.808 16.659 1159 2HD LYS 69 HDR LYS 69 5.250 -1.690 15.126 1160 1HE LYS 69 HES LYS 69 8.013 -0.752 15.821 1161 2HE LYS 69 HER LYS 69 7.480 -1.900 14.561 1162 1HZ LYS 69 HZC LYS 69 6.215 0.462 14.038 1163 2HZ LYS 69 HZA LYS 69 7.749 0.887 14.402 1164 3HZ LYS 69 HZB LYS 69 7.461 -0.189 13.207 No H/Q in entry = 1164 Start of MODEL 15 Raw file had 1198 H/Q atoms Start of MODEL 15 1 1H MET 1 HNC MET 1 -2.254 8.376 -11.507 2 2H MET 1 HN MET 1 -1.960 7.286 -12.687 3 3H MET 1 HNB MET 1 -2.745 6.828 -11.330 4 HA MET 1 HA MET 1 -0.687 5.994 -10.982 5 1HB MET 1 HBS MET 1 0.246 8.596 -12.219 6 2HB MET 1 HBR MET 1 1.347 7.469 -11.387 7 1HG MET 1 HGS MET 1 -0.500 6.530 -13.621 8 2HG MET 1 HGR MET 1 1.073 7.280 -13.974 9 1HE MET 1 HME MET 1 3.086 6.752 -12.859 10 2HE MET 1 HME MET 1 3.142 5.717 -11.410 11 3HE MET 1 HME MET 1 3.704 5.086 -12.979 12 H GLU 2 HN GLU 2 0.725 6.326 -9.150 13 HA GLU 2 HA GLU 2 0.983 6.791 -6.922 14 1HB GLU 2 HBS GLU 2 0.254 9.403 -8.136 15 2HB GLU 2 HBR GLU 2 0.431 9.341 -6.469 16 1HG GLU 2 HGS GLU 2 2.479 10.109 -7.645 17 2HG GLU 2 HGR GLU 2 2.855 8.609 -6.756 18 H LEU 3 HN LEU 3 -1.592 5.832 -7.952 19 HA LEU 3 HA LEU 3 -3.657 5.289 -7.108 20 1HB LEU 3 HBR LEU 3 -2.266 6.045 -4.524 21 2HB LEU 3 HBS LEU 3 -3.527 4.804 -4.779 22 HG LEU 3 HG LEU 3 -0.662 4.708 -5.756 23 1HD1 LEU 3 HMD LEU 3 -0.926 4.302 -3.341 24 2HD1 LEU 3 HMD LEU 3 -2.148 3.052 -3.689 25 3HD1 LEU 3 HMD LEU 3 -0.461 2.821 -4.217 26 1HD2 LEU 3 HMD LEU 3 -2.667 3.710 -7.131 27 2HD2 LEU 3 HMD LEU 3 -1.185 2.756 -6.870 28 3HD2 LEU 3 HMD LEU 3 -2.631 2.445 -5.876 29 HA PRO 4 HA PRO 4 -5.149 9.619 -7.087 30 1HB PRO 4 HBR PRO 4 -7.343 8.594 -8.469 31 2HB PRO 4 HBS PRO 4 -6.296 9.759 -8.957 32 1HG PRO 4 HGS PRO 4 -6.421 7.302 -9.956 33 2HG PRO 4 HGR PRO 4 -5.148 8.359 -10.177 34 1HD PRO 4 HDS PRO 4 -5.258 6.084 -8.543 35 2HD PRO 4 HDR PRO 4 -3.924 6.919 -9.053 36 H ILE 5 HN ILE 5 -6.738 10.710 -6.008 37 HA ILE 5 HA ILE 5 -7.167 9.422 -3.554 38 HB ILE 5 HB ILE 5 -8.287 11.491 -2.860 39 1HG1 ILE 5 HG1 ILE 5 -9.607 11.652 -5.040 40 2HG1 ILE 5 HG1 ILE 5 -9.070 13.178 -4.286 41 1HG2 ILE 5 HMG ILE 5 -5.688 11.367 -3.991 42 2HG2 ILE 5 HMG ILE 5 -6.378 12.966 -4.373 43 3HG2 ILE 5 HMG ILE 5 -6.294 12.413 -2.679 44 1HD1 ILE 5 HMD ILE 5 -7.003 12.594 -6.020 45 2HD1 ILE 5 HMD ILE 5 -8.447 12.046 -6.914 46 3HD1 ILE 5 HMD ILE 5 -8.346 13.728 -6.326 47 H ALA 6 HN ALA 6 -9.062 9.400 -6.398 48 HA ALA 6 HA ALA 6 -11.610 8.938 -5.221 49 1HB ALA 6 HMB ALA 6 -10.379 8.509 -7.924 50 2HB ALA 6 HMB ALA 6 -11.973 7.805 -7.555 51 3HB ALA 6 HMB ALA 6 -11.728 9.567 -7.436 52 HA PRO 7 HA PRO 7 -10.721 4.306 -6.157 53 1HB PRO 7 HBR PRO 7 -8.061 3.725 -6.319 54 2HB PRO 7 HBS PRO 7 -9.153 3.645 -7.543 55 1HG PRO 7 HGS PRO 7 -7.217 5.586 -7.085 56 2HG PRO 7 HGR PRO 7 -8.056 5.271 -8.492 57 1HD PRO 7 HDR PRO 7 -8.489 7.383 -6.933 58 2HD PRO 7 HDS PRO 7 -9.582 6.794 -8.026 59 H ILE 8 HN ILE 8 -7.880 5.364 -4.440 60 HA ILE 8 HA ILE 8 -8.224 3.646 -2.197 61 HB ILE 8 HB ILE 8 -6.852 6.365 -2.471 62 1HG1 ILE 8 HG1 ILE 8 -5.880 3.499 -2.700 63 2HG1 ILE 8 HG1 ILE 8 -5.897 4.764 -3.961 64 1HG2 ILE 8 HMG ILE 8 -7.473 5.039 -0.089 65 2HG2 ILE 8 HMG ILE 8 -5.753 4.683 -0.398 66 3HG2 ILE 8 HMG ILE 8 -6.314 6.373 -0.324 67 1HD1 ILE 8 HMD ILE 8 -4.334 5.394 -1.523 68 2HD1 ILE 8 HMD ILE 8 -3.705 4.068 -2.538 69 3HD1 ILE 8 HMD ILE 8 -3.964 5.685 -3.243 70 H GLY 9 HN GLY 9 -9.463 6.874 -2.991 71 1HA GLY 9 HAS GLY 9 -10.836 7.478 -0.655 72 2HA GLY 9 HAR GLY 9 -11.380 7.953 -2.286 73 H ARG 10 HN ARG 10 -11.683 5.223 -3.243 74 HA ARG 10 HA ARG 10 -14.253 4.551 -2.210 75 1HB ARG 10 HBS ARG 10 -12.992 4.062 -4.538 76 2HB ARG 10 HBR ARG 10 -12.731 2.492 -3.724 77 1HG ARG 10 HGS ARG 10 -15.100 2.155 -3.476 78 2HG ARG 10 HGR ARG 10 -15.445 3.802 -4.078 79 1HD ARG 10 HDS ARG 10 -13.904 1.856 -5.751 80 2HD ARG 10 HDR ARG 10 -15.684 1.762 -5.655 81 HE ARG 10 HE ARG 10 -15.586 4.227 -6.368 82 1HH1 ARG 10 HH1 ARG 10 -13.418 1.680 -7.484 83 2HH1 ARG 10 HH1 ARG 10 -12.929 2.563 -8.890 84 1HH2 ARG 10 HH2 ARG 10 -14.823 5.404 -8.149 85 2HH2 ARG 10 HH2 ARG 10 -13.724 4.669 -9.269 86 H ILE 11 HN ILE 11 -11.004 3.197 -1.744 87 HA ILE 11 HA ILE 11 -11.704 0.998 -0.108 88 HB ILE 11 HB ILE 11 -9.200 2.751 -0.130 89 1HG1 ILE 11 HG1 ILE 11 -9.971 0.182 -1.550 90 2HG1 ILE 11 HG1 ILE 11 -9.571 1.766 -2.270 91 1HG2 ILE 11 HMG ILE 11 -9.574 1.388 1.986 92 2HG2 ILE 11 HMG ILE 11 -9.346 -0.054 0.960 93 3HG2 ILE 11 HMG ILE 11 -8.035 1.146 1.116 94 1HD1 ILE 11 HMD ILE 11 -7.245 1.394 -1.152 95 2HD1 ILE 11 HMD ILE 11 -7.749 -0.317 -1.095 96 3HD1 ILE 11 HMD ILE 11 -7.650 0.532 -2.661 97 H ILE 12 HN ILE 12 -10.520 4.225 0.925 98 HA ILE 12 HA ILE 12 -10.676 3.609 3.652 99 HB ILE 12 HB ILE 12 -10.854 6.429 2.499 100 1HG1 ILE 12 HG1 ILE 12 -9.178 5.398 1.186 101 2HG1 ILE 12 HG1 ILE 12 -8.325 6.345 2.435 102 1HG2 ILE 12 HMG ILE 12 -10.636 5.498 5.123 103 2HG2 ILE 12 HMG ILE 12 -8.998 6.050 4.681 104 3HG2 ILE 12 HMG ILE 12 -10.385 7.162 4.532 105 1HD1 ILE 12 HMD ILE 12 -8.849 3.391 2.775 106 2HD1 ILE 12 HMD ILE 12 -7.438 4.003 1.871 107 3HD1 ILE 12 HMD ILE 12 -7.646 4.425 3.592 108 H LYS 13 HN LYS 13 -13.036 5.158 1.508 109 HA LYS 13 HA LYS 13 -14.961 5.826 3.436 110 1HB LYS 13 HBS LYS 13 -14.799 5.722 0.586 111 2HB LYS 13 HBR LYS 13 -16.301 4.897 1.089 112 1HG LYS 13 HGR LYS 13 -15.449 7.729 1.815 113 2HG LYS 13 HGS LYS 13 -16.736 7.261 0.667 114 1HD LYS 13 HDS LYS 13 -18.037 6.276 2.437 115 2HD LYS 13 HDR LYS 13 -16.753 6.540 3.584 116 1HE LYS 13 HES LYS 13 -18.738 8.167 3.578 117 2HE LYS 13 HER LYS 13 -17.075 8.808 3.700 118 1HZ LYS 13 HZB LYS 13 -18.080 8.525 1.034 119 2HZ LYS 13 HZC LYS 13 -18.867 9.636 1.935 120 3HZ LYS 13 HZA LYS 13 -17.253 9.758 1.716 121 H ASP 14 HN ASP 14 -14.614 2.829 1.509 122 HA ASP 14 HA ASP 14 -16.713 1.458 2.533 123 1HB ASP 14 HBS ASP 14 -15.242 0.795 0.636 124 2HB ASP 14 HBR ASP 14 -14.086 0.158 1.842 125 H ALA 15 HN ALA 15 -13.494 1.737 3.954 126 HA ALA 15 HA ALA 15 -13.839 0.299 6.301 127 1HB ALA 15 HMB ALA 15 -12.046 2.210 5.290 128 2HB ALA 15 HMB ALA 15 -12.598 2.840 6.863 129 3HB ALA 15 HMB ALA 15 -11.876 1.214 6.758 130 H GLY 16 HN GLY 16 -14.896 3.626 5.579 131 1HA GLY 16 HAR GLY 16 -17.107 4.133 6.611 132 2HA GLY 16 HAS GLY 16 -16.378 3.689 8.178 133 H ALA 17 HN ALA 17 -14.252 5.257 5.979 134 HA ALA 17 HA ALA 17 -13.975 7.689 7.389 135 1HB ALA 17 HMB ALA 17 -13.063 6.518 4.873 136 2HB ALA 17 HMB ALA 17 -13.311 8.281 4.775 137 3HB ALA 17 HMB ALA 17 -12.229 7.601 6.016 138 H GLU 18 HN GLU 18 -14.533 9.835 6.674 139 HA GLU 18 HA GLU 18 -17.388 9.860 5.841 140 1HB GLU 18 HBR GLU 18 -15.949 10.756 8.071 141 2HB GLU 18 HBS GLU 18 -16.166 12.142 7.150 142 1HG GLU 18 HGS GLU 18 -17.976 12.057 8.692 143 2HG GLU 18 HGR GLU 18 -18.651 11.859 7.051 144 H ARG 19 HN ARG 19 -14.717 12.254 5.935 145 HA ARG 19 HA ARG 19 -15.015 12.663 3.007 146 1HB ARG 19 HBS ARG 19 -15.571 14.604 5.183 147 2HB ARG 19 HBR ARG 19 -14.559 15.196 3.834 148 1HG ARG 19 HGS ARG 19 -16.272 15.128 2.333 149 2HG ARG 19 HGR ARG 19 -17.063 13.737 3.128 150 1HD ARG 19 HDS ARG 19 -18.528 15.395 3.636 151 2HD ARG 19 HDR ARG 19 -17.446 15.469 5.054 152 HE ARG 19 HE ARG 19 -16.355 17.239 3.230 153 1HH1 ARG 19 HH1 ARG 19 -19.622 16.851 4.499 154 2HH1 ARG 19 HH1 ARG 19 -19.907 18.557 4.587 155 1HH2 ARG 19 HH2 ARG 19 -16.718 19.462 3.481 156 2HH2 ARG 19 HH2 ARG 19 -18.266 20.036 4.010 157 H VAL 20 HN VAL 20 -13.061 11.497 2.852 158 HA VAL 20 HA VAL 20 -10.634 12.485 4.158 159 HB VAL 20 HB VAL 20 -10.875 10.525 1.872 160 1HG1 VAL 20 HMG VAL 20 -8.616 11.486 2.390 161 2HG1 VAL 20 HMG VAL 20 -8.726 10.718 3.992 162 3HG1 VAL 20 HMG VAL 20 -8.732 9.715 2.522 163 1HG2 VAL 20 HMG VAL 20 -12.141 10.120 4.218 164 2HG2 VAL 20 HMG VAL 20 -11.439 8.821 3.224 165 3HG2 VAL 20 HMG VAL 20 -10.533 9.468 4.612 166 H SER 21 HN SER 21 -9.763 14.301 3.575 167 HA SER 21 HA SER 21 -10.559 15.737 1.193 168 1HB SER 21 HBS SER 21 -10.020 17.061 3.055 169 2HB SER 21 HBR SER 21 -8.463 16.224 3.317 170 HG SER 21 HG SER 21 -7.884 18.073 2.418 171 H ASP 22 HN ASP 22 -8.990 16.521 -0.392 172 HA ASP 22 HA ASP 22 -7.701 14.295 -1.671 173 1HB ASP 22 HBR ASP 22 -7.147 15.749 -3.418 174 2HB ASP 22 HBS ASP 22 -8.784 16.196 -2.857 175 H ASP 23 HN ASP 23 -6.776 16.579 0.714 176 HA ASP 23 HA ASP 23 -3.957 16.301 0.458 177 1HB ASP 23 HBS ASP 23 -3.831 17.655 2.177 178 2HB ASP 23 HBR ASP 23 -5.589 17.838 1.933 179 H ALA 24 HN ALA 24 -6.091 14.698 2.845 180 HA ALA 24 HA ALA 24 -4.196 12.911 3.734 181 1HB ALA 24 HMB ALA 24 -7.210 12.669 3.621 182 2HB ALA 24 HMB ALA 24 -6.157 11.539 4.510 183 3HB ALA 24 HMB ALA 24 -6.199 13.262 4.962 184 H ARG 25 HN ARG 25 -6.611 12.396 1.158 185 HA ARG 25 HA ARG 25 -6.087 9.755 0.622 186 1HB ARG 25 HBS ARG 25 -7.175 12.021 -0.968 187 2HB ARG 25 HBR ARG 25 -6.639 10.581 -1.879 188 1HG ARG 25 HGS ARG 25 -8.635 9.685 -1.467 189 2HG ARG 25 HGR ARG 25 -8.153 9.565 0.248 190 1HD ARG 25 HDS ARG 25 -10.225 10.682 0.189 191 2HD ARG 25 HDR ARG 25 -8.976 11.910 0.538 192 HE ARG 25 HE ARG 25 -9.213 12.724 -1.719 193 1HH1 ARG 25 HH1 ARG 25 -11.457 10.103 -1.000 194 2HH1 ARG 25 HH1 ARG 25 -12.618 10.628 -2.173 195 1HH2 ARG 25 HH2 ARG 25 -10.810 13.452 -3.154 196 2HH2 ARG 25 HH2 ARG 25 -12.251 12.522 -3.394 197 H ILE 26 HN ILE 26 -4.417 12.599 -0.723 198 HA ILE 26 HA ILE 26 -2.719 11.093 -2.419 199 HB ILE 26 HB ILE 26 -2.498 13.939 -1.326 200 1HG1 ILE 26 HG1 ILE 26 -3.366 13.034 -4.088 201 2HG1 ILE 26 HG1 ILE 26 -4.506 13.197 -2.722 202 1HG2 ILE 26 HMG ILE 26 -0.426 12.561 -2.500 203 2HG2 ILE 26 HMG ILE 26 -1.168 13.422 -3.874 204 3HG2 ILE 26 HMG ILE 26 -0.616 14.332 -2.444 205 1HD1 ILE 26 HMD ILE 26 -3.574 15.611 -2.540 206 2HD1 ILE 26 HMD ILE 26 -2.979 15.330 -4.198 207 3HD1 ILE 26 HMD ILE 26 -4.724 15.220 -3.847 208 H THR 27 HN THR 27 -2.457 12.091 0.937 209 HA THR 27 HA THR 27 0.273 11.380 1.380 210 HB THR 27 HB THR 27 -2.141 11.340 3.277 211 HG1 THR 27 HG1 THR 27 -1.322 13.063 3.950 212 1HG2 THR 27 HMG THR 27 -0.273 9.857 4.055 213 2HG2 THR 27 HMG THR 27 0.780 11.294 4.067 214 3HG2 THR 27 HMG THR 27 -0.646 11.225 5.135 215 H LEU 28 HN LEU 28 -2.744 9.524 1.946 216 HA LEU 28 HA LEU 28 -1.328 7.174 2.749 217 1HB LEU 28 HBS LEU 28 -3.520 7.786 3.574 218 2HB LEU 28 HBR LEU 28 -4.206 7.668 1.928 219 HG LEU 28 HG LEU 28 -3.792 5.251 1.936 220 1HD1 LEU 28 HMD LEU 28 -2.249 5.934 4.291 221 2HD1 LEU 28 HMD LEU 28 -3.486 4.712 4.677 222 3HD1 LEU 28 HMD LEU 28 -2.309 4.408 3.374 223 1HD2 LEU 28 HMD LEU 28 -5.404 6.556 4.128 224 2HD2 LEU 28 HMD LEU 28 -5.954 5.894 2.568 225 3HD2 LEU 28 HMD LEU 28 -5.440 4.793 3.871 226 H ALA 29 HN ALA 29 -2.292 8.468 -0.312 227 HA ALA 29 HA ALA 29 -2.229 5.916 -1.771 228 1HB ALA 29 HMB ALA 29 -2.585 8.811 -2.474 229 2HB ALA 29 HMB ALA 29 -2.080 7.646 -3.725 230 3HB ALA 29 HMB ALA 29 -3.614 7.406 -2.850 231 H LYS 30 HN LYS 30 -0.201 8.787 -1.199 232 HA LYS 30 HA LYS 30 2.191 7.843 -2.453 233 1HB LYS 30 HBR LYS 30 1.536 9.798 -0.274 234 2HB LYS 30 HBS LYS 30 3.219 9.231 -0.460 235 1HG LYS 30 HGR LYS 30 2.425 9.893 -3.058 236 2HG LYS 30 HGS LYS 30 1.709 11.173 -2.039 237 1HD LYS 30 HDS LYS 30 3.918 11.549 -1.005 238 2HD LYS 30 HDR LYS 30 4.601 10.340 -2.058 239 1HE LYS 30 HES LYS 30 3.110 12.557 -3.355 240 2HE LYS 30 HER LYS 30 4.701 12.910 -2.624 241 1HZ LYS 30 HZA LYS 30 5.343 10.794 -3.937 242 2HZ LYS 30 HZB LYS 30 4.055 11.179 -4.863 243 3HZ LYS 30 HZC LYS 30 5.284 12.242 -4.690 244 H ILE 31 HN ILE 31 0.760 7.405 0.781 245 HA ILE 31 HA ILE 31 2.965 6.165 1.861 246 HB ILE 31 HB ILE 31 0.489 7.046 2.736 247 1HG1 ILE 31 HG1 ILE 31 1.925 5.684 4.858 248 2HG1 ILE 31 HG1 ILE 31 3.048 6.480 3.716 249 1HG2 ILE 31 HMG ILE 31 -0.580 4.839 2.467 250 2HG2 ILE 31 HMG ILE 31 0.601 4.149 3.610 251 3HG2 ILE 31 HMG ILE 31 -0.527 5.419 4.153 252 1HD1 ILE 31 HMD ILE 31 1.254 8.455 4.010 253 2HD1 ILE 31 HMD ILE 31 1.060 7.656 5.593 254 3HD1 ILE 31 HMD ILE 31 2.662 8.256 5.087 255 H LEU 32 HN LEU 32 0.189 4.654 0.234 256 HA LEU 32 HA LEU 32 1.069 1.989 0.649 257 1HB LEU 32 HBS LEU 32 -1.028 3.468 -0.770 258 2HB LEU 32 HBR LEU 32 -0.543 1.958 -1.593 259 HG LEU 32 HG LEU 32 -2.523 1.778 -0.066 260 1HD1 LEU 32 HMD LEU 32 -0.297 0.101 -0.506 261 2HD1 LEU 32 HMD LEU 32 -0.716 -0.073 1.217 262 3HD1 LEU 32 HMD LEU 32 -1.948 -0.373 -0.034 263 1HD2 LEU 32 HMD LEU 32 -1.410 3.288 1.695 264 2HD2 LEU 32 HMD LEU 32 -2.273 1.838 2.267 265 3HD2 LEU 32 HMD LEU 32 -0.494 1.834 2.170 266 H GLU 33 HN GLU 33 1.010 3.838 -2.425 267 HA GLU 33 HA GLU 33 2.217 1.686 -3.831 268 1HB GLU 33 HBR GLU 33 1.028 4.235 -4.327 269 2HB GLU 33 HBS GLU 33 2.535 4.251 -5.059 270 1HG GLU 33 HGS GLU 33 0.433 3.366 -6.368 271 2HG GLU 33 HGR GLU 33 2.055 2.725 -6.725 272 H GLU 34 HN GLU 34 3.538 4.331 -2.026 273 HA GLU 34 HA GLU 34 6.287 4.088 -2.884 274 1HB GLU 34 HBS GLU 34 5.232 5.881 -1.609 275 2HB GLU 34 HBR GLU 34 4.976 4.892 -0.278 276 1HG GLU 34 HGS GLU 34 7.624 5.702 -1.530 277 2HG GLU 34 HGR GLU 34 7.041 6.344 0.029 278 H MET 35 HN MET 35 4.443 2.744 -0.109 279 HA MET 35 HA MET 35 6.363 1.001 0.798 280 1HB MET 35 HBS MET 35 3.626 1.504 1.322 281 2HB MET 35 HBR MET 35 3.793 -0.256 1.093 282 1HG MET 35 HGS MET 35 4.248 0.022 3.397 283 2HG MET 35 HGR MET 35 5.859 -0.071 2.649 284 1HE MET 35 HME MET 35 5.296 1.044 5.447 285 2HE MET 35 HME MET 35 5.228 2.812 5.656 286 3HE MET 35 HME MET 35 3.774 1.919 5.144 287 H GLY 36 HN GLY 36 4.144 0.567 -1.895 288 1HA GLY 36 HAR GLY 36 4.472 -2.275 -2.106 289 2HA GLY 36 HAS GLY 36 3.725 -1.198 -3.317 290 H ARG 37 HN ARG 37 5.949 0.542 -3.696 291 HA ARG 37 HA ARG 37 7.668 -0.852 -5.495 292 1HB ARG 37 HBR ARG 37 7.163 1.779 -4.943 293 2HB ARG 37 HBS ARG 37 8.774 1.557 -4.202 294 1HG ARG 37 HGS ARG 37 9.133 0.353 -6.626 295 2HG ARG 37 HGR ARG 37 7.968 1.641 -7.045 296 1HD ARG 37 HDS ARG 37 10.659 1.928 -5.714 297 2HD ARG 37 HDR ARG 37 10.165 2.496 -7.335 298 HE ARG 37 HE ARG 37 9.580 3.760 -4.763 299 1HH1 ARG 37 HH1 ARG 37 8.503 3.438 -8.104 300 2HH1 ARG 37 HH1 ARG 37 7.897 5.059 -8.180 301 1HH2 ARG 37 HH2 ARG 37 8.894 5.913 -4.942 302 2HH2 ARG 37 HH2 ARG 37 8.117 6.460 -6.390 303 H ASP 38 HN ASP 38 7.826 -0.095 -2.049 304 HA ASP 38 HA ASP 38 10.512 -0.778 -1.698 305 1HB ASP 38 HBR ASP 38 8.193 -0.477 0.158 306 2HB ASP 38 HBS ASP 38 9.737 -1.150 0.758 307 H ILE 39 HN ILE 39 7.612 -2.788 -1.140 308 HA ILE 39 HA ILE 39 9.053 -5.121 -0.373 309 HB ILE 39 HB ILE 39 6.289 -4.995 -1.673 310 1HG1 ILE 39 HG1 ILE 39 7.014 -4.681 1.267 311 2HG1 ILE 39 HG1 ILE 39 6.521 -3.358 0.173 312 1HG2 ILE 39 HMG ILE 39 7.848 -7.149 -0.622 313 2HG2 ILE 39 HMG ILE 39 6.408 -6.909 0.403 314 3HG2 ILE 39 HMG ILE 39 6.221 -7.178 -1.350 315 1HD1 ILE 39 HMD ILE 39 4.676 -5.681 0.397 316 2HD1 ILE 39 HMD ILE 39 4.817 -4.609 1.816 317 3HD1 ILE 39 HMD ILE 39 4.329 -3.939 0.238 318 H ALA 40 HN ALA 40 8.272 -3.699 -3.465 319 HA ALA 40 HA ALA 40 8.409 -6.086 -5.070 320 1HB ALA 40 HMB ALA 40 8.027 -3.244 -5.464 321 2HB ALA 40 HMB ALA 40 9.176 -3.910 -6.652 322 3HB ALA 40 HMB ALA 40 7.551 -4.622 -6.487 323 H SER 41 HN SER 41 10.673 -3.311 -5.046 324 HA SER 41 HA SER 41 12.870 -4.718 -6.027 325 1HB SER 41 HBS SER 41 12.373 -2.113 -5.379 326 2HB SER 41 HBR SER 41 13.567 -2.576 -4.131 327 HG SER 41 HG SER 41 13.785 -3.199 -6.958 328 H GLU 42 HN GLU 42 11.437 -4.843 -2.918 329 HA GLU 42 HA GLU 42 13.663 -6.073 -1.513 330 1HB GLU 42 HBS GLU 42 10.894 -5.398 -1.190 331 2HB GLU 42 HBR GLU 42 11.114 -6.957 -0.608 332 1HG GLU 42 HGS GLU 42 11.376 -5.366 1.208 333 2HG GLU 42 HGR GLU 42 13.006 -6.030 0.920 334 H ALA 43 HN ALA 43 10.556 -7.465 -2.644 335 HA ALA 43 HA ALA 43 11.371 -10.111 -2.664 336 1HB ALA 43 HMB ALA 43 9.042 -9.130 -2.895 337 2HB ALA 43 HMB ALA 43 9.389 -8.969 -4.636 338 3HB ALA 43 HMB ALA 43 9.408 -10.577 -3.869 339 H ILE 44 HN ILE 44 12.222 -7.598 -4.849 340 HA ILE 44 HA ILE 44 12.925 -9.434 -6.986 341 HB ILE 44 HB ILE 44 13.046 -6.403 -6.646 342 1HG1 ILE 44 HG1 ILE 44 11.292 -8.188 -8.376 343 2HG1 ILE 44 HG1 ILE 44 10.832 -7.500 -6.793 344 1HG2 ILE 44 HMG ILE 44 14.706 -7.729 -8.372 345 2HG2 ILE 44 HMG ILE 44 13.281 -7.398 -9.392 346 3HG2 ILE 44 HMG ILE 44 14.118 -6.057 -8.567 347 1HD1 ILE 44 HMD ILE 44 11.556 -5.248 -8.125 348 2HD1 ILE 44 HMD ILE 44 10.939 -6.245 -9.470 349 3HD1 ILE 44 HMD ILE 44 9.893 -5.890 -8.068 350 H LYS 45 HN LYS 45 14.724 -6.997 -5.063 351 HA LYS 45 HA LYS 45 17.344 -7.903 -5.857 352 1HB LYS 45 HBR LYS 45 16.403 -5.722 -4.510 353 2HB LYS 45 HBS LYS 45 17.045 -6.713 -3.170 354 1HG LYS 45 HGR LYS 45 19.023 -5.753 -3.646 355 2HG LYS 45 HGS LYS 45 19.068 -6.866 -5.043 356 1HD LYS 45 HDS LYS 45 18.469 -5.261 -6.554 357 2HD LYS 45 HDR LYS 45 17.627 -4.301 -5.368 358 1HE LYS 45 HES LYS 45 19.429 -2.967 -5.686 359 2HE LYS 45 HER LYS 45 20.025 -3.989 -4.347 360 1HZ LYS 45 HZB LYS 45 20.526 -5.144 -6.873 361 2HZ LYS 45 HZC LYS 45 21.201 -3.661 -6.765 362 3HZ LYS 45 HZA LYS 45 21.569 -4.808 -5.661 363 H LEU 46 HN LEU 46 14.900 -9.063 -3.723 364 HA LEU 46 HA LEU 46 16.574 -10.735 -2.067 365 1HB LEU 46 HBS LEU 46 13.659 -10.493 -2.750 366 2HB LEU 46 HBR LEU 46 14.257 -11.938 -1.885 367 HG LEU 46 HG LEU 46 14.793 -9.161 -0.853 368 1HD1 LEU 46 HMD LEU 46 12.226 -10.437 -1.114 369 2HD1 LEU 46 HMD LEU 46 12.685 -10.361 0.606 370 3HD1 LEU 46 HMD LEU 46 12.638 -8.871 -0.370 371 1HD2 LEU 46 HMD LEU 46 15.288 -11.915 -0.093 372 2HD2 LEU 46 HMD LEU 46 15.917 -10.407 0.618 373 3HD2 LEU 46 HMD LEU 46 14.353 -11.066 1.163 374 H ALA 47 HN ALA 47 14.322 -11.572 -4.729 375 HA ALA 47 HA ALA 47 15.373 -14.080 -5.289 376 1HB ALA 47 HMB ALA 47 13.574 -12.186 -6.545 377 2HB ALA 47 HMB ALA 47 14.536 -13.073 -7.755 378 3HB ALA 47 HMB ALA 47 13.562 -13.968 -6.559 379 H ARG 48 HN ARG 48 16.626 -10.933 -6.092 380 HA ARG 48 HA ARG 48 18.106 -11.691 -8.403 381 1HB ARG 48 HBR ARG 48 17.481 -9.309 -7.078 382 2HB ARG 48 HBS ARG 48 19.260 -9.435 -6.977 383 1HG ARG 48 HGS ARG 48 17.694 -9.701 -9.561 384 2HG ARG 48 HGR ARG 48 18.372 -8.160 -8.963 385 1HD ARG 48 HDS ARG 48 20.541 -9.707 -8.755 386 2HD ARG 48 HDR ARG 48 19.710 -10.544 -10.097 387 HE ARG 48 HE ARG 48 19.938 -8.600 -11.429 388 1HH1 ARG 48 HH1 ARG 48 21.083 -7.977 -8.152 389 2HH1 ARG 48 HH1 ARG 48 22.086 -6.652 -8.638 390 1HH2 ARG 48 HH2 ARG 48 21.360 -6.945 -12.044 391 2HH2 ARG 48 HH2 ARG 48 22.242 -6.066 -10.839 392 H HIS 49 HN HIS 49 19.279 -10.795 -5.131 393 HA HIS 49 HA HIS 49 21.889 -11.761 -5.536 394 1HB HIS 49 HBS HIS 49 22.206 -11.655 -3.112 395 2HB HIS 49 HBR HIS 49 21.359 -10.197 -3.705 396 HD1 HIS 49 HD1 HIS 49 19.579 -9.533 -2.037 397 HD2 HIS 49 HD2 HIS 49 20.038 -13.665 -2.301 398 HE1 HIS 49 HE1 HIS 49 18.014 -10.527 -0.350 399 HE2 HIS 49 HE2 HIS 49 18.301 -13.026 -0.492 400 H ALA 50 HN ALA 50 18.943 -13.395 -4.650 401 HA ALA 50 HA ALA 50 20.041 -15.902 -3.808 402 1HB ALA 50 HMB ALA 50 17.476 -15.241 -5.282 403 2HB ALA 50 HMB ALA 50 17.874 -16.807 -4.532 404 3HB ALA 50 HMB ALA 50 17.698 -15.353 -3.516 405 H GLY 51 HN GLY 51 19.111 -14.579 -6.998 406 1HA GLY 51 HAR GLY 51 20.573 -15.056 -8.883 407 2HA GLY 51 HAS GLY 51 20.748 -16.724 -8.275 408 H ARG 52 HN ARG 52 17.658 -15.082 -8.170 409 HA ARG 52 HA ARG 52 16.580 -17.217 -9.895 410 1HB ARG 52 HBR ARG 52 15.775 -16.037 -7.455 411 2HB ARG 52 HBS ARG 52 14.568 -15.549 -8.679 412 1HG ARG 52 HGS ARG 52 15.155 -18.346 -8.989 413 2HG ARG 52 HGR ARG 52 14.768 -18.010 -7.277 414 1HD ARG 52 HDS ARG 52 12.695 -17.011 -7.868 415 2HD ARG 52 HDR ARG 52 13.100 -17.068 -9.607 416 HE ARG 52 HE ARG 52 12.015 -19.209 -8.003 417 1HH1 ARG 52 HH1 ARG 52 13.761 -18.372 -10.948 418 2HH1 ARG 52 HH1 ARG 52 13.545 -19.940 -11.651 419 1HH2 ARG 52 HH2 ARG 52 11.865 -21.287 -8.899 420 2HH2 ARG 52 HH2 ARG 52 12.472 -21.589 -10.493 421 H LYS 53 HN LYS 53 14.646 -16.658 -11.210 422 HA LYS 53 HA LYS 53 15.085 -14.083 -12.650 423 1HB LYS 53 HBS LYS 53 15.185 -16.909 -13.627 424 2HB LYS 53 HBR LYS 53 14.449 -15.669 -14.682 425 1HG LYS 53 HGR LYS 53 16.525 -15.233 -15.408 426 2HG LYS 53 HGS LYS 53 16.823 -14.487 -13.812 427 1HD LYS 53 HDS LYS 53 18.291 -16.021 -13.269 428 2HD LYS 53 HDR LYS 53 17.126 -17.286 -13.543 429 1HE LYS 53 HES LYS 53 18.927 -17.817 -14.933 430 2HE LYS 53 HER LYS 53 17.665 -17.135 -15.998 431 1HZ LYS 53 HZC LYS 53 18.901 -14.979 -15.642 432 2HZ LYS 53 HZA LYS 53 20.145 -15.882 -15.091 433 3HZ LYS 53 HZB LYS 53 19.602 -16.085 -16.617 434 H THR 54 HN THR 54 13.002 -15.280 -10.723 435 HA THR 54 HA THR 54 10.827 -13.931 -12.034 436 HB THR 54 HB THR 54 10.498 -16.934 -11.487 437 HG1 THR 54 HG1 THR 54 10.152 -17.069 -13.387 438 1HG2 THR 54 HMG THR 54 8.522 -14.868 -11.295 439 2HG2 THR 54 HMG THR 54 8.181 -15.877 -12.724 440 3HG2 THR 54 HMG THR 54 8.333 -16.631 -11.116 441 H ILE 55 HN ILE 55 9.695 -12.879 -10.571 442 HA ILE 55 HA ILE 55 9.767 -13.800 -7.740 443 HB ILE 55 HB ILE 55 9.082 -11.074 -8.944 444 1HG1 ILE 55 HG1 ILE 55 11.084 -10.687 -7.098 445 2HG1 ILE 55 HG1 ILE 55 11.490 -12.302 -7.744 446 1HG2 ILE 55 HMG ILE 55 7.909 -12.076 -6.696 447 2HG2 ILE 55 HMG ILE 55 9.341 -11.251 -6.023 448 3HG2 ILE 55 HMG ILE 55 8.183 -10.346 -7.034 449 1HD1 ILE 55 HMD ILE 55 11.405 -11.333 -10.043 450 2HD1 ILE 55 HMD ILE 55 11.175 -9.724 -9.307 451 3HD1 ILE 55 HMD ILE 55 12.678 -10.636 -9.005 452 H LYS 56 HN LYS 56 7.930 -14.372 -6.738 453 HA LYS 56 HA LYS 56 5.409 -14.326 -8.279 454 1HB LYS 56 HBS LYS 56 5.022 -16.729 -7.467 455 2HB LYS 56 HBR LYS 56 6.051 -16.469 -8.905 456 1HG LYS 56 HGR LYS 56 8.064 -16.678 -7.419 457 2HG LYS 56 HGS LYS 56 6.967 -17.111 -6.076 458 1HD LYS 56 HDS LYS 56 6.945 -19.208 -6.697 459 2HD LYS 56 HDR LYS 56 6.265 -18.752 -8.234 460 1HE LYS 56 HES LYS 56 8.172 -19.039 -9.354 461 2HE LYS 56 HER LYS 56 9.143 -18.289 -8.054 462 1HZ LYS 56 HZB LYS 56 8.238 -20.654 -7.052 463 2HZ LYS 56 HZC LYS 56 8.693 -21.013 -8.579 464 3HZ LYS 56 HZA LYS 56 9.757 -20.322 -7.550 465 H ALA 57 HN ALA 57 3.787 -15.679 -6.685 466 HA ALA 57 HA ALA 57 3.224 -13.785 -4.729 467 1HB ALA 57 HMB ALA 57 1.809 -15.701 -5.898 468 2HB ALA 57 HMB ALA 57 2.167 -16.554 -4.374 469 3HB ALA 57 HMB ALA 57 1.329 -14.981 -4.341 470 H GLU 58 HN GLU 58 5.334 -16.510 -4.588 471 HA GLU 58 HA GLU 58 5.590 -16.750 -1.713 472 1HB GLU 58 HBS GLU 58 6.302 -18.391 -3.253 473 2HB GLU 58 HBR GLU 58 7.295 -17.356 -4.124 474 1HG GLU 58 HGS GLU 58 8.966 -18.223 -2.832 475 2HG GLU 58 HGR GLU 58 8.389 -17.157 -1.521 476 H ASP 59 HN ASP 59 7.772 -15.269 -4.150 477 HA ASP 59 HA ASP 59 9.420 -14.156 -2.208 478 1HB ASP 59 HBS ASP 59 9.372 -14.327 -5.034 479 2HB ASP 59 HBR ASP 59 9.726 -12.633 -4.583 480 H ILE 60 HN ILE 60 6.555 -12.851 -3.721 481 HA ILE 60 HA ILE 60 6.789 -10.149 -2.775 482 HB ILE 60 HB ILE 60 4.385 -11.893 -3.499 483 1HG1 ILE 60 HG1 ILE 60 5.818 -11.537 -5.371 484 2HG1 ILE 60 HG1 ILE 60 4.394 -10.475 -5.566 485 1HG2 ILE 60 HMG ILE 60 3.963 -9.889 -1.901 486 2HG2 ILE 60 HMG ILE 60 4.239 -8.901 -3.361 487 3HG2 ILE 60 HMG ILE 60 2.931 -10.113 -3.338 488 1HD1 ILE 60 HMD ILE 60 5.721 -8.562 -4.783 489 2HD1 ILE 60 HMD ILE 60 7.144 -9.624 -4.609 490 3HD1 ILE 60 HMD ILE 60 6.445 -9.327 -6.223 491 H GLU 61 HN GLU 61 4.656 -12.766 -1.568 492 HA GLU 61 HA GLU 61 4.156 -11.638 0.928 493 1HB GLU 61 HBR GLU 61 4.099 -14.374 -0.266 494 2HB GLU 61 HBS GLU 61 4.059 -14.264 1.408 495 1HG GLU 61 HGS GLU 61 2.207 -12.470 1.115 496 2HG GLU 61 HGR GLU 61 1.925 -13.234 -0.473 497 H LEU 62 HN LEU 62 7.047 -13.093 -0.234 498 HA LEU 62 HA LEU 62 8.147 -13.582 2.402 499 1HB LEU 62 HBS LEU 62 8.583 -14.874 0.301 500 2HB LEU 62 HBR LEU 62 9.516 -13.472 -0.300 501 HG LEU 62 HG LEU 62 10.336 -14.555 2.332 502 1HD1 LEU 62 HMD LEU 62 9.964 -16.225 -0.022 503 2HD1 LEU 62 HMD LEU 62 11.675 -16.160 0.476 504 3HD1 LEU 62 HMD LEU 62 10.427 -16.677 1.639 505 1HD2 LEU 62 HMD LEU 62 11.525 -12.730 1.184 506 2HD2 LEU 62 HMD LEU 62 12.554 -14.172 1.371 507 3HD2 LEU 62 HMD LEU 62 11.818 -13.801 -0.209 508 H ALA 63 HN ALA 63 8.270 -11.011 -0.011 509 HA ALA 63 HA ALA 63 10.363 -9.508 1.418 510 1HB ALA 63 HMB ALA 63 8.767 -9.147 -1.095 511 2HB ALA 63 HMB ALA 63 9.520 -7.736 -0.309 512 3HB ALA 63 HMB ALA 63 10.530 -9.105 -0.842 513 H VAL 64 HN VAL 64 6.888 -9.810 1.166 514 HA VAL 64 HA VAL 64 6.251 -7.606 2.945 515 HB VAL 64 HB VAL 64 4.851 -10.062 1.924 516 1HG1 VAL 64 HMG VAL 64 3.864 -8.286 4.165 517 2HG1 VAL 64 HMG VAL 64 2.778 -9.243 3.129 518 3HG1 VAL 64 HMG VAL 64 4.003 -10.060 4.128 519 1HG2 VAL 64 HMG VAL 64 4.879 -7.204 1.334 520 2HG2 VAL 64 HMG VAL 64 4.382 -8.595 0.340 521 3HG2 VAL 64 HMG VAL 64 3.241 -7.881 1.505 522 H ARG 65 HN ARG 65 6.111 -11.141 3.514 523 HA ARG 65 HA ARG 65 6.305 -11.051 6.227 524 1HB ARG 65 HBR ARG 65 7.239 -13.145 4.265 525 2HB ARG 65 HBS ARG 65 7.412 -13.372 6.030 526 1HG ARG 65 HGS ARG 65 4.731 -12.608 4.922 527 2HG ARG 65 HGR ARG 65 5.304 -14.288 4.718 528 1HD ARG 65 HDS ARG 65 5.858 -14.106 7.251 529 2HD ARG 65 HDR ARG 65 4.686 -12.758 7.213 530 HE ARG 65 HE ARG 65 3.923 -15.433 6.175 531 1HH1 ARG 65 HH1 ARG 65 3.637 -12.983 8.695 532 2HH1 ARG 65 HH1 ARG 65 2.080 -13.539 9.210 533 1HH2 ARG 65 HH2 ARG 65 1.831 -16.051 6.793 534 2HH2 ARG 65 HH2 ARG 65 1.059 -15.276 8.136 535 H ARG 66 HN ARG 66 8.848 -10.340 4.032 536 HA ARG 66 HA ARG 66 10.890 -10.388 6.147 537 1HB ARG 66 HBS ARG 66 11.554 -10.933 3.860 538 2HB ARG 66 HBR ARG 66 10.980 -9.335 3.299 539 1HG ARG 66 HGS ARG 66 12.809 -8.244 4.093 540 2HG ARG 66 HGR ARG 66 13.001 -9.345 5.487 541 1HD ARG 66 HDS ARG 66 13.420 -10.594 2.867 542 2HD ARG 66 HDR ARG 66 14.582 -9.299 3.274 543 HE ARG 66 HE ARG 66 14.629 -11.912 4.299 544 1HH1 ARG 66 HH1 ARG 66 15.014 -8.573 5.363 545 2HH1 ARG 66 HH1 ARG 66 15.850 -9.018 6.813 546 1HH2 ARG 66 HH2 ARG 66 15.610 -12.460 6.267 547 2HH2 ARG 66 HH2 ARG 66 16.189 -11.217 7.325 548 H PHE 67 HN PHE 67 8.792 -8.119 4.440 549 HA PHE 67 HA PHE 67 9.548 -5.719 5.773 550 1HB PHE 67 HBR PHE 67 7.238 -6.642 4.223 551 2HB PHE 67 HBS PHE 67 6.759 -5.631 5.619 552 HD1 PHE 67 HD2 PHE 67 9.483 -5.541 2.965 553 HD2 PHE 67 HD1 PHE 67 6.464 -3.498 5.174 554 HE1 PHE 67 HE2 PHE 67 9.846 -3.521 1.585 555 HE2 PHE 67 HE1 PHE 67 6.807 -1.483 3.818 556 HZ PHE 67 HZ PHE 67 8.567 -1.458 2.090 557 H LYS 68 HN LYS 68 8.184 -8.670 6.875 558 HA LYS 68 HA LYS 68 7.340 -9.397 8.866 559 1HB LYS 68 HBR LYS 68 8.401 -8.598 10.828 560 2HB LYS 68 HBS LYS 68 9.607 -8.630 9.513 561 1HG LYS 68 HGR LYS 68 9.883 -6.358 9.518 562 2HG LYS 68 HGS LYS 68 8.198 -6.037 10.017 563 1HD LYS 68 HDS LYS 68 8.827 -5.741 12.090 564 2HD LYS 68 HDR LYS 68 9.377 -7.393 12.152 565 1HE LYS 68 HES LYS 68 11.450 -6.702 12.418 566 2HE LYS 68 HER LYS 68 11.379 -5.979 10.786 567 1HZ LYS 68 HZC LYS 68 10.399 -4.016 11.853 568 2HZ LYS 68 HZA LYS 68 10.673 -4.676 13.323 569 3HZ LYS 68 HZB LYS 68 11.929 -4.312 12.344 570 H LYS 69 HN LYS 69 6.500 -8.401 11.151 571 HA LYS 69 HA LYS 69 3.927 -7.383 10.285 572 1HB LYS 69 HBR LYS 69 3.432 -7.599 12.796 573 2HB LYS 69 HBS LYS 69 3.752 -9.085 11.858 574 1HG LYS 69 HGR LYS 69 4.858 -9.145 14.058 575 2HG LYS 69 HGS LYS 69 6.048 -9.155 12.725 576 1HD LYS 69 HDS LYS 69 6.818 -7.066 13.168 577 2HD LYS 69 HDR LYS 69 5.298 -6.522 13.824 578 1HE LYS 69 HES LYS 69 5.906 -6.948 15.905 579 2HE LYS 69 HER LYS 69 6.402 -8.608 15.471 580 1HZ LYS 69 HZA LYS 69 8.341 -7.100 14.425 581 2HZ LYS 69 HZB LYS 69 7.996 -6.266 15.787 582 3HZ LYS 69 HZC LYS 69 8.420 -7.840 15.878 583 1H MET 1 HN MET 1 -6.242 -5.986 -6.250 584 2H MET 1 HNC MET 1 -6.677 -5.865 -4.681 585 3H MET 1 HNB MET 1 -6.265 -7.317 -5.304 586 HA MET 1 HA MET 1 -8.123 -7.383 -6.710 587 1HB MET 1 HBS MET 1 -8.353 -8.257 -4.428 588 2HB MET 1 HBR MET 1 -8.884 -6.647 -3.864 589 1HG MET 1 HGS MET 1 -10.869 -6.755 -5.278 590 2HG MET 1 HGR MET 1 -10.289 -8.265 -6.024 591 1HE MET 1 HME MET 1 -12.884 -7.560 -4.788 592 2HE MET 1 HME MET 1 -13.132 -9.314 -4.603 593 3HE MET 1 HME MET 1 -13.316 -8.235 -3.197 594 H GLU 2 HN GLU 2 -7.676 -4.368 -4.948 595 HA GLU 2 HA GLU 2 -9.677 -3.054 -6.741 596 1HB GLU 2 HBR GLU 2 -9.490 -3.036 -3.989 597 2HB GLU 2 HBS GLU 2 -8.537 -1.717 -4.400 598 1HG GLU 2 HGS GLU 2 -10.215 -0.548 -5.565 599 2HG GLU 2 HGR GLU 2 -11.368 -1.909 -5.504 600 H LEU 3 HN LEU 3 -6.383 -3.444 -5.791 601 HA LEU 3 HA LEU 3 -5.509 -1.085 -7.293 602 1HB LEU 3 HBR LEU 3 -3.629 -3.150 -6.246 603 2HB LEU 3 HBS LEU 3 -3.516 -1.369 -6.226 604 HG LEU 3 HG LEU 3 -5.100 -3.135 -4.343 605 1HD1 LEU 3 HMD LEU 3 -2.645 -2.982 -3.978 606 2HD1 LEU 3 HMD LEU 3 -2.802 -1.210 -3.868 607 3HD1 LEU 3 HMD LEU 3 -3.599 -2.252 -2.662 608 1HD2 LEU 3 HMD LEU 3 -5.442 -0.375 -5.169 609 2HD2 LEU 3 HMD LEU 3 -6.442 -1.372 -4.082 610 3HD2 LEU 3 HMD LEU 3 -5.039 -0.482 -3.436 611 HA PRO 4 HA PRO 4 -5.054 -3.432 -11.080 612 1HB PRO 4 HBR PRO 4 -4.754 -1.169 -12.470 613 2HB PRO 4 HBS PRO 4 -6.169 -1.992 -12.329 614 1HG PRO 4 HGS PRO 4 -5.423 0.401 -11.096 615 2HG PRO 4 HGR PRO 4 -6.958 -0.191 -11.373 616 1HD PRO 4 HDS PRO 4 -5.702 -0.197 -8.998 617 2HD PRO 4 HDR PRO 4 -7.056 -1.072 -9.367 618 H ILE 5 HN ILE 5 -3.306 -4.114 -12.115 619 HA ILE 5 HA ILE 5 -0.882 -3.374 -10.657 620 HB ILE 5 HB ILE 5 0.051 -5.434 -11.666 621 1HG1 ILE 5 HG1 ILE 5 -2.634 -5.904 -12.995 622 2HG1 ILE 5 HG1 ILE 5 -1.284 -5.078 -13.825 623 1HG2 ILE 5 HMG ILE 5 -1.650 -5.379 -9.649 624 2HG2 ILE 5 HMG ILE 5 -2.652 -6.330 -10.777 625 3HG2 ILE 5 HMG ILE 5 -1.032 -6.915 -10.314 626 1HD1 ILE 5 HMD ILE 5 -0.897 -7.793 -12.578 627 2HD1 ILE 5 HMD ILE 5 -1.631 -7.618 -14.195 628 3HD1 ILE 5 HMD ILE 5 0.018 -7.007 -13.892 629 H ALA 6 HN ALA 6 -2.166 -1.769 -12.957 630 HA ALA 6 HA ALA 6 0.100 -1.524 -14.801 631 1HB ALA 6 HMB ALA 6 -2.572 -0.243 -14.440 632 2HB ALA 6 HMB ALA 6 -1.292 0.693 -15.252 633 3HB ALA 6 HMB ALA 6 -1.793 -0.888 -15.907 634 HA PRO 7 HA PRO 7 0.670 2.367 -11.935 635 1HB PRO 7 HBR PRO 7 -0.757 2.200 -9.660 636 2HB PRO 7 HBS PRO 7 -1.066 3.235 -10.897 637 1HG PRO 7 HGS PRO 7 -2.446 0.916 -10.194 638 2HG PRO 7 HGR PRO 7 -2.975 2.199 -11.121 639 1HD PRO 7 HDS PRO 7 -2.263 -0.198 -12.083 640 2HD PRO 7 HDR PRO 7 -2.423 1.178 -12.984 641 H ILE 8 HN ILE 8 -0.171 -0.477 -10.119 642 HA ILE 8 HA ILE 8 2.251 -0.581 -8.581 643 HB ILE 8 HB ILE 8 0.344 -2.803 -9.468 644 1HG1 ILE 8 HG1 ILE 8 0.405 -1.001 -7.026 645 2HG1 ILE 8 HG1 ILE 8 -0.871 -1.136 -8.269 646 1HG2 ILE 8 HMG ILE 8 2.840 -2.935 -8.049 647 2HG2 ILE 8 HMG ILE 8 1.500 -3.441 -6.985 648 3HG2 ILE 8 HMG ILE 8 1.745 -4.249 -8.556 649 1HD1 ILE 8 HMD ILE 8 -0.887 -3.663 -7.381 650 2HD1 ILE 8 HMD ILE 8 -0.303 -2.850 -5.904 651 3HD1 ILE 8 HMD ILE 8 -1.856 -2.365 -6.635 652 H GLY 9 HN GLY 9 1.347 -1.444 -11.853 653 1HA GLY 9 HAR GLY 9 3.410 -3.103 -12.599 654 2HA GLY 9 HAS GLY 9 2.648 -1.925 -13.700 655 H ARG 10 HN ARG 10 3.421 0.469 -12.520 656 HA ARG 10 HA ARG 10 6.222 0.542 -13.295 657 1HB ARG 10 HBR ARG 10 4.638 2.925 -12.353 658 2HB ARG 10 HBS ARG 10 5.966 2.836 -13.546 659 1HG ARG 10 HGS ARG 10 3.290 1.536 -14.065 660 2HG ARG 10 HGR ARG 10 3.568 3.269 -14.396 661 1HD ARG 10 HDS ARG 10 5.463 2.676 -15.824 662 2HD ARG 10 HDR ARG 10 5.138 0.947 -15.517 663 HE ARG 10 HE ARG 10 2.754 2.002 -16.481 664 1HH1 ARG 10 HH1 ARG 10 6.026 1.368 -17.630 665 2HH1 ARG 10 HH1 ARG 10 5.562 1.399 -19.298 666 1HH2 ARG 10 HH2 ARG 10 2.210 2.162 -18.676 667 2HH2 ARG 10 HH2 ARG 10 3.403 1.846 -19.891 668 H ILE 11 HN ILE 11 4.415 0.518 -10.361 669 HA ILE 11 HA ILE 11 6.453 1.463 -8.558 670 HB ILE 11 HB ILE 11 4.143 -0.516 -8.281 671 1HG1 ILE 11 HG1 ILE 11 3.773 1.971 -8.729 672 2HG1 ILE 11 HG1 ILE 11 2.905 1.233 -7.353 673 1HG2 ILE 11 HMG ILE 11 5.865 -1.116 -6.652 674 2HG2 ILE 11 HMG ILE 11 5.875 0.560 -6.044 675 3HG2 ILE 11 HMG ILE 11 4.410 -0.443 -5.872 676 1HD1 ILE 11 HMD ILE 11 5.403 2.289 -6.419 677 2HD1 ILE 11 HMD ILE 11 4.550 3.541 -7.361 678 3HD1 ILE 11 HMD ILE 11 3.740 2.758 -5.978 679 H ILE 12 HN ILE 12 5.491 -1.865 -9.500 680 HA ILE 12 HA ILE 12 7.716 -3.012 -8.024 681 HB ILE 12 HB ILE 12 5.970 -4.413 -10.096 682 1HG1 ILE 12 HG1 ILE 12 4.653 -3.027 -8.412 683 2HG1 ILE 12 HG1 ILE 12 4.242 -4.760 -8.543 684 1HG2 ILE 12 HMG ILE 12 7.937 -5.265 -8.124 685 2HG2 ILE 12 HMG ILE 12 6.379 -6.119 -7.963 686 3HG2 ILE 12 HMG ILE 12 7.247 -6.134 -9.522 687 1HD1 ILE 12 HMD ILE 12 5.730 -5.130 -6.521 688 2HD1 ILE 12 HMD ILE 12 5.766 -3.356 -6.339 689 3HD1 ILE 12 HMD ILE 12 4.215 -4.232 -6.237 690 H LYS 13 HN LYS 13 7.139 -1.814 -11.227 691 HA LYS 13 HA LYS 13 9.473 -3.009 -12.403 692 1HB LYS 13 HBR LYS 13 7.511 -0.881 -13.172 693 2HB LYS 13 HBS LYS 13 9.086 -0.934 -14.014 694 1HG LYS 13 HGR LYS 13 7.997 -3.598 -13.892 695 2HG LYS 13 HGS LYS 13 6.753 -2.485 -14.529 696 1HD LYS 13 HDS LYS 13 8.388 -1.639 -16.173 697 2HD LYS 13 HDR LYS 13 9.559 -2.781 -15.574 698 1HE LYS 13 HES LYS 13 8.833 -4.150 -17.159 699 2HE LYS 13 HER LYS 13 7.434 -4.413 -16.080 700 1HZ LYS 13 HZA LYS 13 6.471 -2.424 -17.257 701 2HZ LYS 13 HZB LYS 13 7.630 -2.627 -18.390 702 3HZ LYS 13 HZC LYS 13 6.544 -3.816 -18.110 703 H ASP 14 HN ASP 14 8.741 0.230 -11.072 704 HA ASP 14 HA ASP 14 11.172 1.373 -11.419 705 1HB ASP 14 HBS ASP 14 9.138 2.502 -10.614 706 2HB ASP 14 HBR ASP 14 9.429 1.798 -8.997 707 H ALA 15 HN ALA 15 10.220 -0.777 -8.785 708 HA ALA 15 HA ALA 15 12.609 -0.980 -7.390 709 1HB ALA 15 HMB ALA 15 10.378 -2.851 -8.045 710 2HB ALA 15 HMB ALA 15 11.860 -3.519 -7.314 711 3HB ALA 15 HMB ALA 15 10.948 -2.241 -6.471 712 H GLY 16 HN GLY 16 11.678 -2.614 -10.418 713 1HA GLY 16 HAR GLY 16 13.618 -2.920 -11.965 714 2HA GLY 16 HAS GLY 16 14.438 -3.757 -10.620 715 H ALA 17 HN ALA 17 11.046 -4.264 -10.749 716 HA ALA 17 HA ALA 17 11.151 -6.976 -11.481 717 1HB ALA 17 HMB ALA 17 8.889 -4.966 -11.539 718 2HB ALA 17 HMB ALA 17 8.686 -6.719 -11.787 719 3HB ALA 17 HMB ALA 17 9.312 -6.105 -10.236 720 H GLU 18 HN GLU 18 10.482 -8.075 -13.333 721 HA GLU 18 HA GLU 18 9.742 -6.813 -15.744 722 1HB GLU 18 HBR GLU 18 12.082 -6.060 -15.688 723 2HB GLU 18 HBS GLU 18 12.594 -7.639 -15.434 724 1HG GLU 18 HGS GLU 18 12.844 -8.038 -17.562 725 2HG GLU 18 HGR GLU 18 11.092 -7.851 -17.844 726 H ARG 19 HN ARG 19 11.256 -9.524 -14.068 727 HA ARG 19 HA ARG 19 9.526 -11.357 -15.665 728 1HB ARG 19 HBR ARG 19 11.081 -13.105 -14.414 729 2HB ARG 19 HBS ARG 19 11.515 -12.388 -15.992 730 1HG ARG 19 HGS ARG 19 12.481 -10.800 -13.735 731 2HG ARG 19 HGR ARG 19 13.103 -12.474 -13.712 732 1HD ARG 19 HDS ARG 19 13.496 -11.998 -16.266 733 2HD ARG 19 HDR ARG 19 13.491 -10.300 -15.713 734 HE ARG 19 HE ARG 19 15.262 -12.256 -14.367 735 1HH1 ARG 19 HH1 ARG 19 14.940 -9.617 -16.682 736 2HH1 ARG 19 HH1 ARG 19 16.577 -9.094 -16.478 737 1HH2 ARG 19 HH2 ARG 19 17.358 -11.462 -14.031 738 2HH2 ARG 19 HH2 ARG 19 17.948 -10.139 -14.979 739 H VAL 20 HN VAL 20 7.749 -10.699 -14.376 740 HA VAL 20 HA VAL 20 7.756 -11.851 -11.647 741 HB VAL 20 HB VAL 20 6.755 -9.087 -12.367 742 1HG1 VAL 20 HMG VAL 20 5.707 -10.666 -10.431 743 2HG1 VAL 20 HMG VAL 20 7.014 -9.863 -9.527 744 3HG1 VAL 20 HMG VAL 20 5.773 -8.889 -10.354 745 1HG2 VAL 20 HMG VAL 20 9.209 -10.005 -10.874 746 2HG2 VAL 20 HMG VAL 20 9.102 -8.943 -12.298 747 3HG2 VAL 20 HMG VAL 20 8.535 -8.367 -10.712 748 H SER 21 HN SER 21 6.011 -12.952 -11.127 749 HA SER 21 HA SER 21 4.089 -13.557 -13.131 750 1HB SER 21 HBS SER 21 3.142 -15.073 -11.594 751 2HB SER 21 HBR SER 21 4.909 -15.107 -11.331 752 HG SER 21 HG SER 21 4.596 -13.485 -9.647 753 H ASP 22 HN ASP 22 1.868 -13.246 -13.182 754 HA ASP 22 HA ASP 22 0.844 -10.733 -12.249 755 1HB ASP 22 HBS ASP 22 -1.367 -11.681 -12.951 756 2HB ASP 22 HBR ASP 22 -0.106 -11.541 -14.210 757 H ASP 23 HN ASP 23 1.252 -13.848 -10.853 758 HA ASP 23 HA ASP 23 -0.651 -13.561 -8.771 759 1HB ASP 23 HBS ASP 23 1.342 -15.469 -9.555 760 2HB ASP 23 HBR ASP 23 1.411 -15.181 -7.793 761 H ALA 24 HN ALA 24 2.847 -12.868 -8.866 762 HA ALA 24 HA ALA 24 3.087 -11.811 -6.303 763 1HB ALA 24 HMB ALA 24 4.606 -11.785 -8.785 764 2HB ALA 24 HMB ALA 24 4.807 -10.281 -7.851 765 3HB ALA 24 HMB ALA 24 5.158 -11.855 -7.092 766 H ARG 25 HN ARG 25 2.289 -10.113 -9.347 767 HA ARG 25 HA ARG 25 2.140 -7.544 -8.320 768 1HB ARG 25 HBR ARG 25 0.358 -8.655 -10.511 769 2HB ARG 25 HBS ARG 25 0.808 -6.948 -10.235 770 1HG ARG 25 HGS ARG 25 3.265 -7.975 -10.516 771 2HG ARG 25 HGR ARG 25 2.358 -9.173 -11.481 772 1HD ARG 25 HDS ARG 25 1.274 -7.126 -12.592 773 2HD ARG 25 HDR ARG 25 2.638 -6.214 -11.885 774 HE ARG 25 HE ARG 25 2.808 -8.305 -13.972 775 1HH1 ARG 25 HH1 ARG 25 4.520 -6.144 -11.776 776 2HH1 ARG 25 HH1 ARG 25 5.922 -6.048 -12.789 777 1HH2 ARG 25 HH2 ARG 25 4.605 -8.054 -15.330 778 2HH2 ARG 25 HH2 ARG 25 5.972 -7.130 -14.800 779 H ILE 26 HN ILE 26 -0.326 -10.085 -8.343 780 HA ILE 26 HA ILE 26 -2.321 -8.358 -7.150 781 HB ILE 26 HB ILE 26 -2.257 -11.364 -7.705 782 1HG1 ILE 26 HG1 ILE 26 -2.094 -9.710 -9.628 783 2HG1 ILE 26 HG1 ILE 26 -3.409 -10.916 -9.712 784 1HG2 ILE 26 HMG ILE 26 -4.176 -9.776 -6.212 785 2HG2 ILE 26 HMG ILE 26 -4.916 -10.575 -7.625 786 3HG2 ILE 26 HMG ILE 26 -4.046 -11.544 -6.408 787 1HD1 ILE 26 HMD ILE 26 -4.975 -9.168 -8.852 788 2HD1 ILE 26 HMD ILE 26 -3.646 -7.985 -8.981 789 3HD1 ILE 26 HMD ILE 26 -4.263 -8.797 -10.445 790 H THR 27 HN THR 27 0.004 -10.755 -6.045 791 HA THR 27 HA THR 27 -1.014 -11.232 -3.467 792 HB THR 27 HB THR 27 1.888 -11.211 -4.467 793 HG1 THR 27 HG1 THR 27 0.017 -13.097 -3.899 794 1HG2 THR 27 HMG THR 27 0.765 -12.291 -1.874 795 2HG2 THR 27 HMG THR 27 2.340 -12.770 -2.557 796 3HG2 THR 27 HMG THR 27 2.045 -11.072 -2.100 797 H LEU 28 HN LEU 28 1.587 -8.953 -4.415 798 HA LEU 28 HA LEU 28 1.626 -7.425 -2.062 799 1HB LEU 28 HBR LEU 28 2.951 -7.541 -4.438 800 2HB LEU 28 HBS LEU 28 2.026 -6.030 -4.643 801 HG LEU 28 HG LEU 28 3.153 -4.948 -2.912 802 1HD1 LEU 28 HMD LEU 28 3.061 -6.734 -1.225 803 2HD1 LEU 28 HMD LEU 28 4.336 -7.623 -2.097 804 3HD1 LEU 28 HMD LEU 28 4.695 -6.039 -1.367 805 1HD2 LEU 28 HMD LEU 28 4.422 -5.823 -5.090 806 2HD2 LEU 28 HMD LEU 28 5.230 -4.850 -3.835 807 3HD2 LEU 28 HMD LEU 28 5.434 -6.620 -3.858 808 H ALA 29 HN ALA 29 -0.229 -6.910 -5.074 809 HA ALA 29 HA ALA 29 -1.408 -4.545 -4.410 810 1HB ALA 29 HMB ALA 29 -1.512 -5.573 -6.618 811 2HB ALA 29 HMB ALA 29 -2.659 -6.794 -6.013 812 3HB ALA 29 HMB ALA 29 -3.130 -5.076 -6.062 813 H LYS 30 HN LYS 30 -2.501 -7.786 -3.498 814 HA LYS 30 HA LYS 30 -4.812 -6.739 -2.077 815 1HB LYS 30 HBR LYS 30 -3.591 -9.498 -2.354 816 2HB LYS 30 HBS LYS 30 -4.990 -9.150 -1.297 817 1HG LYS 30 HGR LYS 30 -5.829 -8.035 -3.646 818 2HG LYS 30 HGS LYS 30 -4.830 -9.387 -4.250 819 1HD LYS 30 HDS LYS 30 -6.408 -10.388 -2.122 820 2HD LYS 30 HDR LYS 30 -7.455 -9.408 -3.112 821 1HE LYS 30 HES LYS 30 -6.814 -10.646 -5.112 822 2HE LYS 30 HER LYS 30 -5.712 -11.643 -4.120 823 1HZ LYS 30 HZC LYS 30 -8.308 -11.600 -3.040 824 2HZ LYS 30 HZA LYS 30 -8.355 -12.104 -4.593 825 3HZ LYS 30 HZB LYS 30 -7.407 -12.877 -3.512 826 H ILE 31 HN ILE 31 -1.503 -7.488 -1.370 827 HA ILE 31 HA ILE 31 -1.686 -7.577 1.515 828 HB ILE 31 HB ILE 31 0.517 -7.000 -0.506 829 1HG1 ILE 31 HG1 ILE 31 0.303 -9.222 1.545 830 2HG1 ILE 31 HG1 ILE 31 -0.469 -9.308 -0.064 831 1HG2 ILE 31 HMG ILE 31 0.570 -5.976 2.100 832 2HG2 ILE 31 HMG ILE 31 1.573 -7.449 2.141 833 3HG2 ILE 31 HMG ILE 31 1.934 -6.158 0.965 834 1HD1 ILE 31 HMD ILE 31 2.007 -8.699 -0.849 835 2HD1 ILE 31 HMD ILE 31 2.409 -9.481 0.702 836 3HD1 ILE 31 HMD ILE 31 1.491 -10.377 -0.536 837 H LEU 32 HN LEU 32 -0.304 -4.986 -0.522 838 HA LEU 32 HA LEU 32 -0.447 -3.053 1.372 839 1HB LEU 32 HBR LEU 32 0.120 -3.301 -1.421 840 2HB LEU 32 HBS LEU 32 -0.772 -1.776 -1.151 841 HG LEU 32 HG LEU 32 0.935 -1.162 0.561 842 1HD1 LEU 32 HMD LEU 32 1.725 -3.482 1.002 843 2HD1 LEU 32 HMD LEU 32 2.459 -3.505 -0.621 844 3HD1 LEU 32 HMD LEU 32 3.042 -2.350 0.604 845 1HD2 LEU 32 HMD LEU 32 1.806 -1.744 -2.286 846 2HD2 LEU 32 HMD LEU 32 1.021 -0.266 -1.674 847 3HD2 LEU 32 HMD LEU 32 2.680 -0.672 -1.163 848 H GLU 33 HN GLU 33 -3.023 -4.016 -0.818 849 HA GLU 33 HA GLU 33 -4.781 -1.793 -0.433 850 1HB GLU 33 HBR GLU 33 -4.935 -3.475 -2.205 851 2HB GLU 33 HBS GLU 33 -5.126 -4.689 -1.062 852 1HG GLU 33 HGS GLU 33 -7.276 -4.219 -0.479 853 2HG GLU 33 HGR GLU 33 -7.225 -2.520 -1.019 854 H GLU 34 HN GLU 34 -4.478 -4.970 1.200 855 HA GLU 34 HA GLU 34 -6.625 -4.650 3.008 856 1HB GLU 34 HBR GLU 34 -4.120 -6.268 2.827 857 2HB GLU 34 HBS GLU 34 -4.852 -6.142 4.332 858 1HG GLU 34 HGS GLU 34 -6.459 -7.570 3.930 859 2HG GLU 34 HGR GLU 34 -6.964 -6.760 2.422 860 H MET 35 HN MET 35 -3.238 -3.622 3.139 861 HA MET 35 HA MET 35 -3.271 -2.413 5.719 862 1HB MET 35 HBS MET 35 -1.328 -2.808 3.992 863 2HB MET 35 HBR MET 35 -1.783 -1.174 3.432 864 1HG MET 35 HGS MET 35 -1.382 -0.234 5.624 865 2HG MET 35 HGR MET 35 -1.218 -1.857 6.339 866 1HE MET 35 HME MET 35 0.613 -2.124 7.217 867 2HE MET 35 HME MET 35 1.787 -3.012 6.214 868 3HE MET 35 HME MET 35 2.204 -1.405 6.858 869 H GLY 36 HN GLY 36 -4.272 -1.295 2.495 870 1HA GLY 36 HAR GLY 36 -4.526 1.415 3.063 871 2HA GLY 36 HAS GLY 36 -5.432 0.563 1.783 872 H ARG 37 HN ARG 37 -7.106 -1.080 3.074 873 HA ARG 37 HA ARG 37 -9.159 0.533 4.196 874 1HB ARG 37 HBR ARG 37 -8.654 -2.361 3.806 875 2HB ARG 37 HBS ARG 37 -9.741 -1.936 5.160 876 1HG ARG 37 HGS ARG 37 -11.287 -0.868 3.709 877 2HG ARG 37 HGR ARG 37 -10.135 -0.892 2.343 878 1HD ARG 37 HDS ARG 37 -12.012 -2.595 2.325 879 2HD ARG 37 HDR ARG 37 -10.351 -3.193 2.053 880 HE ARG 37 HE ARG 37 -10.510 -3.655 4.637 881 1HH1 ARG 37 HH1 ARG 37 -12.873 -4.296 2.100 882 2HH1 ARG 37 HH1 ARG 37 -13.711 -5.492 3.033 883 1HH2 ARG 37 HH2 ARG 37 -11.707 -5.131 5.872 884 2HH2 ARG 37 HH2 ARG 37 -13.050 -5.966 5.167 885 H ASP 38 HN ASP 38 -6.486 -1.298 5.600 886 HA ASP 38 HA ASP 38 -7.314 -1.091 8.258 887 1HB ASP 38 HBS ASP 38 -5.125 -2.166 6.862 888 2HB ASP 38 HBR ASP 38 -4.459 -1.124 8.152 889 H ILE 39 HN ILE 39 -4.970 0.975 6.520 890 HA ILE 39 HA ILE 39 -4.543 2.778 8.716 891 HB ILE 39 HB ILE 39 -4.193 3.329 5.731 892 1HG1 ILE 39 HG1 ILE 39 -2.034 2.212 7.536 893 2HG1 ILE 39 HG1 ILE 39 -3.183 1.141 6.685 894 1HG2 ILE 39 HMG ILE 39 -4.004 5.227 7.420 895 2HG2 ILE 39 HMG ILE 39 -2.522 4.414 7.992 896 3HG2 ILE 39 HMG ILE 39 -2.635 4.980 6.304 897 1HD1 ILE 39 HMD ILE 39 -1.766 3.202 5.062 898 2HD1 ILE 39 HMD ILE 39 -0.813 1.819 5.662 899 3HD1 ILE 39 HMD ILE 39 -2.252 1.537 4.645 900 H ALA 40 HN ALA 40 -7.102 2.287 6.476 901 HA ALA 40 HA ALA 40 -8.154 4.980 6.340 902 1HB ALA 40 HMB ALA 40 -8.907 2.295 5.470 903 2HB ALA 40 HMB ALA 40 -10.289 3.247 6.071 904 3HB ALA 40 HMB ALA 40 -9.270 3.887 4.757 905 H SER 41 HN SER 41 -9.613 2.125 7.920 906 HA SER 41 HA SER 41 -11.102 3.578 9.779 907 1HB SER 41 HBS SER 41 -10.109 0.870 10.551 908 2HB SER 41 HBR SER 41 -11.743 1.584 10.676 909 HG SER 41 HG SER 41 -12.306 0.801 8.884 910 H GLU 42 HN GLU 42 -7.736 2.983 9.716 911 HA GLU 42 HA GLU 42 -7.244 3.583 12.514 912 1HB GLU 42 HBR GLU 42 -5.815 2.911 10.096 913 2HB GLU 42 HBS GLU 42 -5.141 4.296 10.758 914 1HG GLU 42 HGS GLU 42 -5.663 2.313 12.818 915 2HG GLU 42 HGR GLU 42 -4.459 1.739 11.632 916 H ALA 43 HN ALA 43 -6.554 5.444 9.518 917 HA ALA 43 HA ALA 43 -6.302 7.940 10.698 918 1HB ALA 43 HMB ALA 43 -7.143 7.043 7.952 919 2HB ALA 43 HMB ALA 43 -7.075 8.771 8.382 920 3HB ALA 43 HMB ALA 43 -5.607 7.766 8.493 921 H ILE 44 HN ILE 44 -9.141 6.055 10.266 922 HA ILE 44 HA ILE 44 -10.952 8.346 10.273 923 HB ILE 44 HB ILE 44 -11.355 5.322 10.142 924 1HG1 ILE 44 HG1 ILE 44 -11.872 7.460 8.046 925 2HG1 ILE 44 HG1 ILE 44 -10.330 6.573 8.207 926 1HG2 ILE 44 HMG ILE 44 -13.479 7.472 10.018 927 2HG2 ILE 44 HMG ILE 44 -13.714 5.761 9.578 928 3HG2 ILE 44 HMG ILE 44 -13.301 6.201 11.257 929 1HD1 ILE 44 HMD ILE 44 -13.018 5.259 7.720 930 2HD1 ILE 44 HMD ILE 44 -11.849 5.679 6.440 931 3HD1 ILE 44 HMD ILE 44 -11.412 4.485 7.691 932 H LYS 45 HN LYS 45 -10.477 5.452 12.339 933 HA LYS 45 HA LYS 45 -11.876 6.324 14.580 934 1HB LYS 45 HBR LYS 45 -10.929 4.061 14.326 935 2HB LYS 45 HBS LYS 45 -9.291 4.732 14.569 936 1HG LYS 45 HGR LYS 45 -9.892 3.837 16.667 937 2HG LYS 45 HGS LYS 45 -10.163 5.596 16.827 938 1HD LYS 45 HDS LYS 45 -12.590 4.638 15.903 939 2HD LYS 45 HDR LYS 45 -12.039 3.372 16.965 940 1HE LYS 45 HES LYS 45 -12.069 6.257 17.817 941 2HE LYS 45 HER LYS 45 -13.463 5.156 18.005 942 1HZ LYS 45 HZB LYS 45 -11.631 3.690 19.089 943 2HZ LYS 45 HZC LYS 45 -10.906 5.128 19.366 944 3HZ LYS 45 HZA LYS 45 -12.404 4.841 19.952 945 H LEU 46 HN LEU 46 -8.704 7.265 13.410 946 HA LEU 46 HA LEU 46 -7.936 8.886 15.669 947 1HB LEU 46 HBR LEU 46 -7.228 8.765 12.734 948 2HB LEU 46 HBS LEU 46 -6.553 10.004 13.829 949 HG LEU 46 HG LEU 46 -6.274 7.108 14.541 950 1HD1 LEU 46 HMD LEU 46 -5.153 8.420 12.171 951 2HD1 LEU 46 HMD LEU 46 -3.912 7.761 13.266 952 3HD1 LEU 46 HMD LEU 46 -5.188 6.697 12.623 953 1HD2 LEU 46 HMD LEU 46 -5.124 9.757 15.197 954 2HD2 LEU 46 HMD LEU 46 -5.348 8.312 16.216 955 3HD2 LEU 46 HMD LEU 46 -3.958 8.413 15.105 956 H ALA 47 HN ALA 47 -9.491 9.609 12.523 957 HA ALA 47 HA ALA 47 -9.705 12.357 12.928 958 1HB ALA 47 HMB ALA 47 -9.953 11.151 10.773 959 2HB ALA 47 HMB ALA 47 -11.577 10.629 11.289 960 3HB ALA 47 HMB ALA 47 -11.226 12.363 11.070 961 H ARG 48 HN ARG 48 -12.095 9.789 13.586 962 HA ARG 48 HA ARG 48 -14.232 11.570 14.365 963 1HB ARG 48 HBR ARG 48 -13.924 8.801 13.935 964 2HB ARG 48 HBS ARG 48 -14.358 8.991 15.660 965 1HG ARG 48 HGS ARG 48 -16.070 10.704 14.184 966 2HG ARG 48 HGR ARG 48 -16.036 9.137 13.326 967 1HD ARG 48 HDS ARG 48 -16.736 9.680 16.207 968 2HD ARG 48 HDR ARG 48 -17.792 9.054 14.909 969 HE ARG 48 HE ARG 48 -16.585 6.964 15.005 970 1HH1 ARG 48 HH1 ARG 48 -15.490 9.268 17.438 971 2HH1 ARG 48 HH1 ARG 48 -14.950 8.032 18.523 972 1HH2 ARG 48 HH2 ARG 48 -15.985 5.374 16.504 973 2HH2 ARG 48 HH2 ARG 48 -15.228 5.828 17.995 974 H HIS 49 HN HIS 49 -11.797 9.622 16.113 975 HA HIS 49 HA HIS 49 -12.416 10.453 18.704 976 1HB HIS 49 HBS HIS 49 -10.708 8.664 18.040 977 2HB HIS 49 HBR HIS 49 -9.554 10.004 17.782 978 HD1 HIS 49 HD1 HIS 49 -11.506 8.269 20.569 979 HD2 HIS 49 HD2 HIS 49 -8.550 11.160 20.069 980 HE1 HIS 49 HE1 HIS 49 -10.483 8.631 22.828 981 HE2 HIS 49 HE2 HIS 49 -8.680 10.366 22.529 982 H ALA 50 HN ALA 50 -10.434 12.028 16.225 983 HA ALA 50 HA ALA 50 -9.593 14.281 17.728 984 1HB ALA 50 HMB ALA 50 -9.269 13.392 15.165 985 2HB ALA 50 HMB ALA 50 -10.353 14.788 14.934 986 3HB ALA 50 HMB ALA 50 -8.794 14.999 15.771 987 H GLY 51 HN GLY 51 -12.547 13.657 15.824 988 1HA GLY 51 HAR GLY 51 -14.702 14.635 16.271 989 2HA GLY 51 HAS GLY 51 -13.892 15.955 17.158 990 H ARG 52 HN ARG 52 -12.680 14.696 14.105 991 HA ARG 52 HA ARG 52 -14.038 16.840 12.594 992 1HB ARG 52 HBR ARG 52 -11.472 17.285 13.247 993 2HB ARG 52 HBS ARG 52 -11.226 16.267 11.798 994 1HG ARG 52 HGS ARG 52 -13.222 18.261 11.236 995 2HG ARG 52 HGR ARG 52 -11.775 19.048 11.927 996 1HD ARG 52 HDS ARG 52 -10.407 17.740 10.294 997 2HD ARG 52 HDR ARG 52 -11.937 17.226 9.529 998 HE ARG 52 HE ARG 52 -10.642 19.794 9.276 999 1HH1 ARG 52 HH1 ARG 52 -13.672 18.016 8.973 1000 2HH1 ARG 52 HH1 ARG 52 -14.450 19.281 8.083 1001 1HH2 ARG 52 HH2 ARG 52 -11.734 21.477 8.224 1002 2HH2 ARG 52 HH2 ARG 52 -13.355 21.239 7.657 1003 H LYS 53 HN LYS 53 -15.326 15.596 11.423 1004 HA LYS 53 HA LYS 53 -14.913 12.890 10.896 1005 1HB LYS 53 HBR LYS 53 -16.728 14.951 9.639 1006 2HB LYS 53 HBS LYS 53 -16.691 13.258 9.068 1007 1HG LYS 53 HGR LYS 53 -17.724 12.454 10.945 1008 2HG LYS 53 HGS LYS 53 -17.011 13.702 12.007 1009 1HD LYS 53 HDS LYS 53 -18.749 14.996 10.164 1010 2HD LYS 53 HDR LYS 53 -19.586 13.601 10.787 1011 1HE LYS 53 HES LYS 53 -18.949 14.353 13.111 1012 2HE LYS 53 HER LYS 53 -18.413 15.877 12.348 1013 1HZ LYS 53 HZA LYS 53 -20.671 16.033 11.426 1014 2HZ LYS 53 HZB LYS 53 -21.124 14.747 12.325 1015 3HZ LYS 53 HZC LYS 53 -20.632 16.122 13.057 1016 H THR 54 HN THR 54 -13.717 15.675 9.232 1017 HA THR 54 HA THR 54 -13.165 14.265 6.764 1018 HB THR 54 HB THR 54 -12.364 17.058 7.754 1019 HG1 THR 54 HG1 THR 54 -14.195 17.043 7.553 1020 1HG2 THR 54 HMG THR 54 -11.193 15.646 5.624 1021 2HG2 THR 54 HMG THR 54 -12.349 16.783 4.883 1022 3HG2 THR 54 HMG THR 54 -11.077 17.388 5.975 1023 H ILE 55 HN ILE 55 -11.450 13.146 6.237 1024 HA ILE 55 HA ILE 55 -9.344 12.699 8.231 1025 HB ILE 55 HB ILE 55 -9.688 11.517 5.432 1026 1HG1 ILE 55 HG1 ILE 55 -11.647 11.181 6.956 1027 2HG1 ILE 55 HG1 ILE 55 -10.859 9.675 6.404 1028 1HG2 ILE 55 HMG ILE 55 -7.720 11.112 7.582 1029 2HG2 ILE 55 HMG ILE 55 -8.417 9.616 6.905 1030 3HG2 ILE 55 HMG ILE 55 -7.610 10.789 5.831 1031 1HD1 ILE 55 HMD ILE 55 -9.569 10.209 8.785 1032 2HD1 ILE 55 HMD ILE 55 -11.247 10.724 9.109 1033 3HD1 ILE 55 HMD ILE 55 -10.916 9.062 8.551 1034 H LYS 56 HN LYS 56 -7.285 13.348 8.097 1035 HA LYS 56 HA LYS 56 -6.619 15.281 5.922 1036 1HB LYS 56 HBR LYS 56 -5.956 15.584 8.866 1037 2HB LYS 56 HBS LYS 56 -5.648 16.749 7.547 1038 1HG LYS 56 HGR LYS 56 -8.437 15.865 8.360 1039 2HG LYS 56 HGS LYS 56 -7.611 17.278 9.076 1040 1HD LYS 56 HDS LYS 56 -7.754 17.116 6.111 1041 2HD LYS 56 HDR LYS 56 -9.242 17.404 6.970 1042 1HE LYS 56 HES LYS 56 -7.408 19.129 8.178 1043 2HE LYS 56 HER LYS 56 -7.079 19.206 6.424 1044 1HZ LYS 56 HZC LYS 56 -9.845 19.242 7.013 1045 2HZ LYS 56 HZA LYS 56 -9.067 20.485 7.729 1046 3HZ LYS 56 HZB LYS 56 -8.961 20.278 6.113 1047 H ALA 57 HN ALA 57 -4.336 15.739 5.718 1048 HA ALA 57 HA ALA 57 -3.042 13.314 5.174 1049 1HB ALA 57 HMB ALA 57 -2.194 16.198 5.150 1050 2HB ALA 57 HMB ALA 57 -1.022 14.899 4.811 1051 3HB ALA 57 HMB ALA 57 -2.473 15.079 3.793 1052 H GLU 58 HN GLU 58 -2.842 15.456 7.944 1053 HA GLU 58 HA GLU 58 -0.557 14.170 9.214 1054 1HB GLU 58 HBR GLU 58 -1.312 15.415 11.135 1055 2HB GLU 58 HBS GLU 58 -1.150 16.348 9.748 1056 1HG GLU 58 HGS GLU 58 -3.761 15.696 9.474 1057 2HG GLU 58 HGR GLU 58 -3.671 15.849 11.250 1058 H ASP 59 HN ASP 59 -4.115 13.900 9.300 1059 HA ASP 59 HA ASP 59 -4.249 11.904 11.238 1060 1HB ASP 59 HBS ASP 59 -6.064 13.181 9.408 1061 2HB ASP 59 HBR ASP 59 -6.420 11.436 9.551 1062 H ILE 60 HN ILE 60 -3.706 11.646 7.769 1063 HA ILE 60 HA ILE 60 -3.790 8.792 7.572 1064 HB ILE 60 HB ILE 60 -2.258 10.896 5.967 1065 1HG1 ILE 60 HG1 ILE 60 -4.639 11.248 5.898 1066 2HG1 ILE 60 HG1 ILE 60 -4.095 10.603 4.323 1067 1HG2 ILE 60 HMG ILE 60 -2.609 7.941 5.504 1068 2HG2 ILE 60 HMG ILE 60 -2.301 9.081 4.166 1069 3HG2 ILE 60 HMG ILE 60 -1.116 8.917 5.490 1070 1HD1 ILE 60 HMD ILE 60 -4.793 8.297 5.468 1071 2HD1 ILE 60 HMD ILE 60 -5.863 9.385 6.392 1072 3HD1 ILE 60 HMD ILE 60 -5.963 9.336 4.611 1073 H GLU 61 HN GLU 61 -1.077 11.090 8.019 1074 HA GLU 61 HA GLU 61 0.898 9.022 8.115 1075 1HB GLU 61 HBR GLU 61 0.719 11.964 8.587 1076 2HB GLU 61 HBS GLU 61 2.006 11.151 9.293 1077 1HG GLU 61 HGS GLU 61 2.838 10.244 7.257 1078 2HG GLU 61 HGR GLU 61 1.484 10.901 6.299 1079 H LEU 62 HN LEU 62 -1.138 10.566 10.500 1080 HA LEU 62 HA LEU 62 0.245 9.427 12.792 1081 1HB LEU 62 HBR LEU 62 -2.090 11.129 12.198 1082 2HB LEU 62 HBS LEU 62 -2.283 10.060 13.616 1083 HG LEU 62 HG LEU 62 -0.243 11.032 14.598 1084 1HD1 LEU 62 HMD LEU 62 0.771 11.725 12.408 1085 2HD1 LEU 62 HMD LEU 62 -0.423 13.045 12.337 1086 3HD1 LEU 62 HMD LEU 62 0.772 12.995 13.657 1087 1HD2 LEU 62 HMD LEU 62 -2.770 11.961 14.584 1088 2HD2 LEU 62 HMD LEU 62 -1.454 12.727 15.510 1089 3HD2 LEU 62 HMD LEU 62 -1.931 13.388 13.925 1090 H ALA 63 HN ALA 63 -2.446 8.574 10.662 1091 HA ALA 63 HA ALA 63 -3.307 6.211 12.033 1092 1HB ALA 63 HMB ALA 63 -3.690 7.490 9.423 1093 2HB ALA 63 HMB ALA 63 -3.699 5.710 9.363 1094 3HB ALA 63 HMB ALA 63 -4.825 6.571 10.443 1095 H VAL 64 HN VAL 64 -1.114 6.663 9.222 1096 HA VAL 64 HA VAL 64 -0.639 3.917 9.080 1097 HB VAL 64 HB VAL 64 -0.329 6.123 7.502 1098 1HG1 VAL 64 HMG VAL 64 2.205 5.990 8.511 1099 2HG1 VAL 64 HMG VAL 64 2.352 4.998 7.041 1100 3HG1 VAL 64 HMG VAL 64 1.749 6.669 6.931 1101 1HG2 VAL 64 HMG VAL 64 -0.216 3.249 7.240 1102 2HG2 VAL 64 HMG VAL 64 -0.884 4.493 6.154 1103 3HG2 VAL 64 HMG VAL 64 0.837 4.047 6.046 1104 H ARG 65 HN ARG 65 1.630 6.477 10.145 1105 HA ARG 65 HA ARG 65 3.643 4.862 11.056 1106 1HB ARG 65 HBR ARG 65 2.657 7.552 11.968 1107 2HB ARG 65 HBS ARG 65 3.976 6.732 12.852 1108 1HG ARG 65 HGS ARG 65 4.086 7.182 9.864 1109 2HG ARG 65 HGR ARG 65 4.623 8.422 11.031 1110 1HD ARG 65 HDS ARG 65 5.648 5.588 10.837 1111 2HD ARG 65 HDR ARG 65 6.471 7.053 10.231 1112 HE ARG 65 HE ARG 65 6.992 7.657 12.437 1113 1HH1 ARG 65 HH1 ARG 65 5.261 4.589 12.283 1114 2HH1 ARG 65 HH1 ARG 65 5.487 4.253 13.967 1115 1HH2 ARG 65 HH2 ARG 65 7.157 7.243 14.660 1116 2HH2 ARG 65 HH2 ARG 65 6.561 5.753 15.312 1117 H ARG 66 HN ARG 66 0.683 5.773 12.794 1118 HA ARG 66 HA ARG 66 1.413 4.421 15.272 1119 1HB ARG 66 HBR ARG 66 -0.296 6.330 14.964 1120 2HB ARG 66 HBS ARG 66 -1.398 5.052 14.374 1121 1HG ARG 66 HGS ARG 66 -0.163 4.256 16.868 1122 2HG ARG 66 HGR ARG 66 -0.945 5.853 17.037 1123 1HD ARG 66 HDS ARG 66 -2.858 4.600 15.680 1124 2HD ARG 66 HDR ARG 66 -2.111 3.185 16.472 1125 HE ARG 66 HE ARG 66 -3.633 5.321 17.746 1126 1HH1 ARG 66 HH1 ARG 66 -1.581 2.480 18.134 1127 2HH1 ARG 66 HH1 ARG 66 -1.869 2.371 19.839 1128 1HH2 ARG 66 HH2 ARG 66 -3.884 5.222 19.997 1129 2HH2 ARG 66 HH2 ARG 66 -3.174 3.921 20.893 1130 H PHE 67 HN PHE 67 0.186 3.580 12.155 1131 HA PHE 67 HA PHE 67 -1.283 1.254 13.005 1132 1HB PHE 67 HBR PHE 67 -1.864 2.499 10.919 1133 2HB PHE 67 HBS PHE 67 -0.334 1.935 10.188 1134 HD1 PHE 67 HD2 PHE 67 -3.315 0.393 11.979 1135 HD2 PHE 67 HD1 PHE 67 -0.360 0.131 8.920 1136 HE1 PHE 67 HE2 PHE 67 -4.344 -1.707 11.171 1137 HE2 PHE 67 HE1 PHE 67 -1.334 -1.978 8.132 1138 HZ PHE 67 HZ PHE 67 -3.262 -2.952 9.321 1139 H LYS 68 HN LYS 68 1.917 1.850 11.588 1140 HA LYS 68 HA LYS 68 2.658 -1.000 11.823 1141 1HB LYS 68 HBR LYS 68 3.767 1.381 10.508 1142 2HB LYS 68 HBS LYS 68 4.984 0.414 11.390 1143 1HG LYS 68 HGR LYS 68 3.655 -1.563 10.083 1144 2HG LYS 68 HGS LYS 68 3.446 -0.219 8.923 1145 1HD LYS 68 HDS LYS 68 5.381 -1.159 8.176 1146 2HD LYS 68 HDR LYS 68 5.937 0.166 9.161 1147 1HE LYS 68 HES LYS 68 6.030 -2.765 9.762 1148 2HE LYS 68 HER LYS 68 7.341 -1.551 9.755 1149 1HZ LYS 68 HZC LYS 68 5.127 -1.585 11.687 1150 2HZ LYS 68 HZA LYS 68 6.610 -2.205 11.976 1151 3HZ LYS 68 HZB LYS 68 6.432 -0.604 11.713 1152 H LYS 69 HN LYS 69 2.629 -1.493 13.950 1153 HA LYS 69 HA LYS 69 4.007 0.337 15.843 1154 1HB LYS 69 HBR LYS 69 1.507 -1.043 15.902 1155 2HB LYS 69 HBS LYS 69 2.558 -1.735 17.170 1156 1HG LYS 69 HGR LYS 69 2.970 0.953 17.530 1157 2HG LYS 69 HGS LYS 69 1.263 0.920 17.002 1158 1HD LYS 69 HDS LYS 69 1.672 -1.164 18.906 1159 2HD LYS 69 HDR LYS 69 2.385 0.295 19.536 1160 1HE LYS 69 HES LYS 69 -0.047 -0.131 20.110 1161 2HE LYS 69 HER LYS 69 0.398 1.486 19.495 1162 1HZ LYS 69 HZA LYS 69 -0.488 -0.550 17.619 1163 2HZ LYS 69 HZB LYS 69 -1.607 0.223 18.522 1164 3HZ LYS 69 HZC LYS 69 -0.628 1.075 17.530 No H/Q in entry = 1164 Start of MODEL 16 Raw file had 1198 H/Q atoms Start of MODEL 16 1 1H MET 1 HNC MET 1 3.783 11.258 -10.667 2 2H MET 1 HN MET 1 2.789 11.279 -11.962 3 3H MET 1 HNB MET 1 3.936 12.430 -11.794 4 HA MET 1 HA MET 1 2.836 13.633 -10.331 5 1HB MET 1 HBS MET 1 1.251 12.548 -12.406 6 2HB MET 1 HBR MET 1 0.227 12.577 -10.942 7 1HG MET 1 HGS MET 1 0.598 14.945 -10.641 8 2HG MET 1 HGR MET 1 1.878 14.951 -11.879 9 1HE MET 1 HME MET 1 -0.532 16.648 -11.451 10 2HE MET 1 HME MET 1 -0.397 17.110 -13.167 11 3HE MET 1 HME MET 1 -1.936 16.474 -12.534 12 H GLU 2 HN GLU 2 0.519 10.962 -10.199 13 HA GLU 2 HA GLU 2 1.480 9.751 -7.854 14 1HB GLU 2 HBS GLU 2 -0.423 10.496 -6.404 15 2HB GLU 2 HBR GLU 2 0.944 11.467 -6.466 16 1HG GLU 2 HGS GLU 2 -0.185 13.206 -7.508 17 2HG GLU 2 HGR GLU 2 -1.246 12.130 -8.458 18 H LEU 3 HN LEU 3 -0.178 8.254 -6.915 19 HA LEU 3 HA LEU 3 -1.847 6.962 -8.859 20 1HB LEU 3 HBS LEU 3 -2.259 6.739 -5.896 21 2HB LEU 3 HBR LEU 3 -2.321 5.480 -7.162 22 HG LEU 3 HG LEU 3 0.171 6.745 -5.993 23 1HD1 LEU 3 HMD LEU 3 -1.467 4.446 -5.284 24 2HD1 LEU 3 HMD LEU 3 0.197 3.967 -5.701 25 3HD1 LEU 3 HMD LEU 3 -0.089 5.175 -4.424 26 1HD2 LEU 3 HMD LEU 3 -0.399 4.985 -8.342 27 2HD2 LEU 3 HMD LEU 3 0.838 6.251 -8.127 28 3HD2 LEU 3 HMD LEU 3 1.060 4.649 -7.376 29 HA PRO 4 HA PRO 4 -5.362 9.555 -8.823 30 1HB PRO 4 HBR PRO 4 -7.100 7.752 -9.747 31 2HB PRO 4 HBS PRO 4 -6.159 8.707 -10.697 32 1HG PRO 4 HGS PRO 4 -5.922 5.981 -10.230 33 2HG PRO 4 HGR PRO 4 -5.222 6.887 -11.443 34 1HD PRO 4 HDS PRO 4 -3.992 5.948 -9.195 35 2HD PRO 4 HDR PRO 4 -3.331 6.935 -10.345 36 H ILE 5 HN ILE 5 -6.956 10.211 -7.551 37 HA ILE 5 HA ILE 5 -7.310 8.498 -5.190 38 HB ILE 5 HB ILE 5 -8.045 10.520 -4.052 39 1HG1 ILE 5 HG1 ILE 5 -9.246 11.391 -6.152 40 2HG1 ILE 5 HG1 ILE 5 -8.536 12.573 -5.019 41 1HG2 ILE 5 HMG ILE 5 -5.537 10.839 -5.691 42 2HG2 ILE 5 HMG ILE 5 -6.022 12.009 -4.436 43 3HG2 ILE 5 HMG ILE 5 -5.723 10.306 -3.999 44 1HD1 ILE 5 HMD ILE 5 -6.496 12.163 -6.837 45 2HD1 ILE 5 HMD ILE 5 -7.964 12.090 -7.846 46 3HD1 ILE 5 HMD ILE 5 -7.650 13.523 -6.832 47 H ALA 6 HN ALA 6 -8.775 8.272 -7.888 48 HA ALA 6 HA ALA 6 -11.578 8.455 -7.007 49 1HB ALA 6 HMB ALA 6 -10.303 8.482 -9.481 50 2HB ALA 6 HMB ALA 6 -11.049 6.867 -9.388 51 3HB ALA 6 HMB ALA 6 -12.051 8.326 -9.180 52 HA PRO 7 HA PRO 7 -10.718 3.686 -6.917 53 1HB PRO 7 HBS PRO 7 -8.134 3.036 -7.195 54 2HB PRO 7 HBR PRO 7 -9.281 2.808 -8.348 55 1HG PRO 7 HGS PRO 7 -7.238 4.705 -8.254 56 2HG PRO 7 HGR PRO 7 -8.125 4.209 -9.578 57 1HD PRO 7 HDS PRO 7 -8.437 6.544 -8.259 58 2HD PRO 7 HDR PRO 7 -9.470 5.928 -9.393 59 H ILE 8 HN ILE 8 -7.951 5.491 -5.833 60 HA ILE 8 HA ILE 8 -7.780 4.228 -3.318 61 HB ILE 8 HB ILE 8 -6.865 7.000 -4.224 62 1HG1 ILE 8 HG1 ILE 8 -5.535 4.271 -4.175 63 2HG1 ILE 8 HG1 ILE 8 -5.913 5.291 -5.592 64 1HG2 ILE 8 HMG ILE 8 -7.006 6.817 -1.753 65 2HG2 ILE 8 HMG ILE 8 -5.876 5.439 -1.830 66 3HG2 ILE 8 HMG ILE 8 -5.349 7.056 -2.367 67 1HD1 ILE 8 HMD ILE 8 -4.181 6.648 -3.675 68 2HD1 ILE 8 HMD ILE 8 -3.478 5.122 -4.274 69 3HD1 ILE 8 HMD ILE 8 -3.977 6.388 -5.428 70 H GLY 9 HN GLY 9 -9.653 7.006 -4.436 71 1HA GLY 9 HAS GLY 9 -10.732 7.876 -1.959 72 2HA GLY 9 HAR GLY 9 -11.518 8.030 -3.553 73 H ARG 10 HN ARG 10 -11.495 5.166 -4.102 74 HA ARG 10 HA ARG 10 -13.906 4.499 -2.610 75 1HB ARG 10 HBR ARG 10 -13.296 4.223 -5.194 76 2HB ARG 10 HBS ARG 10 -12.730 2.628 -4.619 77 1HG ARG 10 HGS ARG 10 -14.958 2.167 -3.696 78 2HG ARG 10 HGR ARG 10 -15.525 3.764 -4.263 79 1HD ARG 10 HDS ARG 10 -16.237 2.138 -5.831 80 2HD ARG 10 HDR ARG 10 -14.907 3.072 -6.573 81 HE ARG 10 HE ARG 10 -14.876 0.245 -5.814 82 1HH1 ARG 10 HH1 ARG 10 -13.122 3.043 -7.050 83 2HH1 ARG 10 HH1 ARG 10 -11.720 2.116 -7.466 84 1HH2 ARG 10 HH2 ARG 10 -12.977 -0.911 -6.255 85 2HH2 ARG 10 HH2 ARG 10 -11.637 -0.123 -7.018 86 H ILE 11 HN ILE 11 -10.564 3.675 -2.532 87 HA ILE 11 HA ILE 11 -10.716 1.210 -1.049 88 HB ILE 11 HB ILE 11 -8.632 3.446 -1.116 89 1HG1 ILE 11 HG1 ILE 11 -9.190 2.152 -3.236 90 2HG1 ILE 11 HG1 ILE 11 -7.475 2.195 -2.739 91 1HG2 ILE 11 HMG ILE 11 -8.793 1.663 0.896 92 2HG2 ILE 11 HMG ILE 11 -7.815 0.733 -0.270 93 3HG2 ILE 11 HMG ILE 11 -7.262 2.338 0.278 94 1HD1 ILE 11 HMD ILE 11 -9.163 -0.120 -1.873 95 2HD1 ILE 11 HMD ILE 11 -8.612 -0.036 -3.568 96 3HD1 ILE 11 HMD ILE 11 -7.420 -0.042 -2.241 97 H ILE 12 HN ILE 12 -10.351 4.639 -0.069 98 HA ILE 12 HA ILE 12 -10.481 3.949 2.747 99 HB ILE 12 HB ILE 12 -10.711 6.740 1.541 100 1HG1 ILE 12 HG1 ILE 12 -8.865 5.839 0.380 101 2HG1 ILE 12 HG1 ILE 12 -8.183 6.821 1.706 102 1HG2 ILE 12 HMG ILE 12 -10.770 5.915 4.152 103 2HG2 ILE 12 HMG ILE 12 -9.057 6.353 3.924 104 3HG2 ILE 12 HMG ILE 12 -10.336 7.547 3.578 105 1HD1 ILE 12 HMD ILE 12 -8.532 3.824 1.914 106 2HD1 ILE 12 HMD ILE 12 -7.067 4.587 1.240 107 3HD1 ILE 12 HMD ILE 12 -7.540 4.904 2.930 108 H LYS 13 HN LYS 13 -12.702 4.943 0.246 109 HA LYS 13 HA LYS 13 -14.917 5.491 1.995 110 1HB LYS 13 HBR LYS 13 -14.546 4.997 -0.936 111 2HB LYS 13 HBS LYS 13 -16.179 4.812 -0.238 112 1HG LYS 13 HGR LYS 13 -15.313 7.231 0.816 113 2HG LYS 13 HGS LYS 13 -14.643 7.243 -0.841 114 1HD LYS 13 HDS LYS 13 -16.811 8.300 -0.787 115 2HD LYS 13 HDR LYS 13 -16.776 6.883 -1.800 116 1HE LYS 13 HES LYS 13 -18.488 6.007 -0.728 117 2HE LYS 13 HER LYS 13 -17.550 6.042 0.791 118 1HZ LYS 13 HZB LYS 13 -18.288 8.564 0.568 119 2HZ LYS 13 HZC LYS 13 -19.571 7.851 -0.149 120 3HZ LYS 13 HZA LYS 13 -19.158 7.443 1.378 121 H ASP 14 HN ASP 14 -13.844 2.625 0.149 122 HA ASP 14 HA ASP 14 -15.724 0.850 0.963 123 1HB ASP 14 HBS ASP 14 -13.944 0.415 -0.676 124 2HB ASP 14 HBR ASP 14 -12.792 0.213 0.678 125 H ALA 15 HN ALA 15 -12.892 1.894 2.792 126 HA ALA 15 HA ALA 15 -13.232 0.541 5.167 127 1HB ALA 15 HMB ALA 15 -11.714 2.626 4.320 128 2HB ALA 15 HMB ALA 15 -12.812 3.447 5.458 129 3HB ALA 15 HMB ALA 15 -11.820 2.073 6.012 130 H GLY 16 HN GLY 16 -15.008 3.421 4.057 131 1HA GLY 16 HAR GLY 16 -17.298 3.775 5.009 132 2HA GLY 16 HAS GLY 16 -16.592 3.379 6.598 133 H ALA 17 HN ALA 17 -14.793 5.200 4.199 134 HA ALA 17 HA ALA 17 -14.515 7.413 5.979 135 1HB ALA 17 HMB ALA 17 -13.650 6.992 3.106 136 2HB ALA 17 HMB ALA 17 -13.129 8.339 4.149 137 3HB ALA 17 HMB ALA 17 -12.702 6.663 4.578 138 H GLU 18 HN GLU 18 -15.272 9.458 5.894 139 HA GLU 18 HA GLU 18 -17.170 10.212 3.716 140 1HB GLU 18 HBR GLU 18 -17.837 9.228 6.205 141 2HB GLU 18 HBS GLU 18 -17.734 10.875 6.512 142 1HG GLU 18 HGS GLU 18 -20.038 10.002 5.871 143 2HG GLU 18 HGR GLU 18 -19.526 11.532 5.109 144 H ARG 19 HN ARG 19 -15.162 11.162 6.494 145 HA ARG 19 HA ARG 19 -14.673 13.748 5.102 146 1HB ARG 19 HBS ARG 19 -14.106 14.688 7.366 147 2HB ARG 19 HBR ARG 19 -15.840 14.396 7.046 148 1HG ARG 19 HGS ARG 19 -14.075 12.490 8.609 149 2HG ARG 19 HGR ARG 19 -15.038 13.792 9.362 150 1HD ARG 19 HDS ARG 19 -16.791 12.466 9.377 151 2HD ARG 19 HDR ARG 19 -16.741 12.403 7.592 152 HE ARG 19 HE ARG 19 -16.151 10.204 7.850 153 1HH1 ARG 19 HH1 ARG 19 -15.048 11.933 10.719 154 2HH1 ARG 19 HH1 ARG 19 -14.181 10.569 11.340 155 1HH2 ARG 19 HH2 ARG 19 -14.901 8.483 8.631 156 2HH2 ARG 19 HH2 ARG 19 -14.099 8.615 10.161 157 H VAL 20 HN VAL 20 -12.960 12.771 4.005 158 HA VAL 20 HA VAL 20 -10.541 12.730 5.667 159 HB VAL 20 HB VAL 20 -11.121 10.619 3.578 160 1HG1 VAL 20 HMG VAL 20 -8.625 11.690 4.343 161 2HG1 VAL 20 HMG VAL 20 -8.755 10.092 5.117 162 3HG1 VAL 20 HMG VAL 20 -8.951 10.246 3.354 163 1HG2 VAL 20 HMG VAL 20 -11.975 10.578 6.138 164 2HG2 VAL 20 HMG VAL 20 -11.550 9.126 5.199 165 3HG2 VAL 20 HMG VAL 20 -10.367 9.837 6.325 166 H SER 21 HN SER 21 -9.436 14.388 5.018 167 HA SER 21 HA SER 21 -10.196 15.868 2.753 168 1HB SER 21 HBS SER 21 -8.387 17.365 3.288 169 2HB SER 21 HBR SER 21 -9.226 16.856 4.781 170 HG SER 21 HG SER 21 -6.807 15.726 3.617 171 H ASP 22 HN ASP 22 -8.773 16.641 1.021 172 HA ASP 22 HA ASP 22 -8.062 14.435 -0.553 173 1HB ASP 22 HBS ASP 22 -7.093 16.259 -2.100 174 2HB ASP 22 HBR ASP 22 -8.848 16.177 -1.775 175 H ASP 23 HN ASP 23 -6.087 16.605 1.384 176 HA ASP 23 HA ASP 23 -3.580 15.709 0.579 177 1HB ASP 23 HBR ASP 23 -2.954 16.270 3.046 178 2HB ASP 23 HBS ASP 23 -3.424 17.540 1.878 179 H ALA 24 HN ALA 24 -5.657 14.381 3.156 180 HA ALA 24 HA ALA 24 -4.068 12.255 3.897 181 1HB ALA 24 HMB ALA 24 -6.869 12.997 4.116 182 2HB ALA 24 HMB ALA 24 -6.653 11.233 4.001 183 3HB ALA 24 HMB ALA 24 -5.806 12.152 5.270 184 H ARG 25 HN ARG 25 -6.477 12.343 1.262 185 HA ARG 25 HA ARG 25 -6.310 9.705 0.472 186 1HB ARG 25 HBR ARG 25 -6.621 12.019 -1.462 187 2HB ARG 25 HBS ARG 25 -7.226 10.345 -1.634 188 1HG ARG 25 HGS ARG 25 -8.877 10.676 0.051 189 2HG ARG 25 HGR ARG 25 -8.155 12.231 0.550 190 1HD ARG 25 HDS ARG 25 -9.973 12.865 -0.718 191 2HD ARG 25 HDR ARG 25 -8.610 12.968 -1.866 192 HE ARG 25 HE ARG 25 -9.584 10.431 -2.236 193 1HH1 ARG 25 HH1 ARG 25 -10.835 13.712 -2.544 194 2HH1 ARG 25 HH1 ARG 25 -12.114 13.241 -3.613 195 1HH2 ARG 25 HH2 ARG 25 -11.345 9.833 -3.532 196 2HH2 ARG 25 HH2 ARG 25 -12.402 11.046 -4.173 197 H ILE 26 HN ILE 26 -4.200 12.410 -0.417 198 HA ILE 26 HA ILE 26 -2.747 10.788 -2.395 199 HB ILE 26 HB ILE 26 -2.403 13.678 -1.455 200 1HG1 ILE 26 HG1 ILE 26 -3.191 13.295 -4.232 201 2HG1 ILE 26 HG1 ILE 26 -4.326 12.476 -3.121 202 1HG2 ILE 26 HMG ILE 26 -0.974 12.152 -3.636 203 2HG2 ILE 26 HMG ILE 26 -1.000 13.931 -3.517 204 3HG2 ILE 26 HMG ILE 26 -0.268 12.959 -2.212 205 1HD1 ILE 26 HMD ILE 26 -3.862 15.005 -1.988 206 2HD1 ILE 26 HMD ILE 26 -4.052 15.287 -3.739 207 3HD1 ILE 26 HMD ILE 26 -5.330 14.437 -2.829 208 H THR 27 HN THR 27 -2.446 12.014 0.888 209 HA THR 27 HA THR 27 0.254 11.378 1.378 210 HB THR 27 HB THR 27 -2.158 11.310 3.274 211 HG1 THR 27 HG1 THR 27 -1.962 13.097 3.341 212 1HG2 THR 27 HMG THR 27 0.400 10.289 3.800 213 2HG2 THR 27 HMG THR 27 0.359 11.898 4.565 214 3HG2 THR 27 HMG THR 27 -0.877 10.684 4.978 215 H LEU 28 HN LEU 28 -2.671 9.390 1.951 216 HA LEU 28 HA LEU 28 -1.442 6.940 2.424 217 1HB LEU 28 HBR LEU 28 -3.950 7.912 2.270 218 2HB LEU 28 HBS LEU 28 -3.887 7.026 0.726 219 HG LEU 28 HG LEU 28 -3.785 4.958 1.740 220 1HD1 LEU 28 HMD LEU 28 -1.947 5.472 3.334 221 2HD1 LEU 28 HMD LEU 28 -3.133 6.263 4.402 222 3HD1 LEU 28 HMD LEU 28 -3.270 4.521 4.056 223 1HD2 LEU 28 HMD LEU 28 -5.928 6.131 2.028 224 2HD2 LEU 28 HMD LEU 28 -5.616 4.959 3.334 225 3HD2 LEU 28 HMD LEU 28 -5.393 6.702 3.630 226 H ALA 29 HN ALA 29 -2.582 8.202 -0.725 227 HA ALA 29 HA ALA 29 -1.575 6.283 -2.348 228 1HB ALA 29 HMB ALA 29 -2.551 8.927 -2.648 229 2HB ALA 29 HMB ALA 29 -1.088 8.781 -3.656 230 3HB ALA 29 HMB ALA 29 -2.436 7.635 -3.868 231 H LYS 30 HN LYS 30 0.265 8.752 -0.703 232 HA LYS 30 HA LYS 30 2.694 8.129 -2.184 233 1HB LYS 30 HBS LYS 30 1.776 10.371 -0.930 234 2HB LYS 30 HBR LYS 30 2.895 9.718 0.301 235 1HG LYS 30 HGR LYS 30 4.529 10.769 -0.819 236 2HG LYS 30 HGS LYS 30 4.337 9.512 -2.075 237 1HD LYS 30 HDS LYS 30 4.186 11.399 -3.331 238 2HD LYS 30 HDR LYS 30 2.517 10.997 -3.039 239 1HE LYS 30 HES LYS 30 2.500 12.621 -1.135 240 2HE LYS 30 HER LYS 30 4.133 13.121 -1.662 241 1HZ LYS 30 HZB LYS 30 2.844 13.316 -3.918 242 2HZ LYS 30 HZC LYS 30 1.578 13.584 -2.923 243 3HZ LYS 30 HZA LYS 30 2.895 14.546 -2.845 244 H ILE 31 HN ILE 31 1.242 7.344 0.916 245 HA ILE 31 HA ILE 31 3.453 5.854 2.017 246 HB ILE 31 HB ILE 31 0.439 5.921 2.401 247 1HG1 ILE 31 HG1 ILE 31 1.862 6.275 4.817 248 2HG1 ILE 31 HG1 ILE 31 2.784 7.154 3.562 249 1HG2 ILE 31 HMG ILE 31 1.920 3.580 2.879 250 2HG2 ILE 31 HMG ILE 31 1.681 4.353 4.468 251 3HG2 ILE 31 HMG ILE 31 0.275 3.981 3.436 252 1HD1 ILE 31 HMD ILE 31 -0.136 7.581 3.483 253 2HD1 ILE 31 HMD ILE 31 0.674 8.184 4.953 254 3HD1 ILE 31 HMD ILE 31 1.208 8.747 3.346 255 H LEU 32 HN LEU 32 0.422 4.612 0.580 256 HA LEU 32 HA LEU 32 1.265 2.039 0.379 257 1HB LEU 32 HBS LEU 32 -0.970 3.572 -0.223 258 2HB LEU 32 HBR LEU 32 -0.577 2.764 -1.767 259 HG LEU 32 HG LEU 32 -0.475 0.639 -0.136 260 1HD1 LEU 32 HMD LEU 32 -1.217 2.350 1.730 261 2HD1 LEU 32 HMD LEU 32 -2.826 2.113 1.003 262 3HD1 LEU 32 HMD LEU 32 -1.927 0.718 1.652 263 1HD2 LEU 32 HMD LEU 32 -2.103 1.700 -2.128 264 2HD2 LEU 32 HMD LEU 32 -2.161 0.041 -1.480 265 3HD2 LEU 32 HMD LEU 32 -3.237 1.295 -0.814 266 H GLU 33 HN GLU 33 1.711 4.591 -2.023 267 HA GLU 33 HA GLU 33 2.757 2.891 -4.111 268 1HB GLU 33 HBS GLU 33 1.782 5.033 -4.440 269 2HB GLU 33 HBR GLU 33 2.879 5.836 -3.456 270 1HG GLU 33 HGS GLU 33 4.550 5.810 -5.081 271 2HG GLU 33 HGR GLU 33 4.023 4.265 -5.799 272 H GLU 34 HN GLU 34 4.360 5.258 -1.932 273 HA GLU 34 HA GLU 34 6.971 4.660 -2.780 274 1HB GLU 34 HBR GLU 34 5.931 5.752 -0.156 275 2HB GLU 34 HBS GLU 34 7.551 5.688 -0.589 276 1HG GLU 34 HGS GLU 34 7.434 7.197 -2.342 277 2HG GLU 34 HGR GLU 34 5.654 7.152 -2.453 278 H MET 35 HN MET 35 5.013 3.326 -0.135 279 HA MET 35 HA MET 35 6.893 1.377 0.782 280 1HB MET 35 HBR MET 35 4.439 2.148 1.598 281 2HB MET 35 HBS MET 35 4.019 0.648 0.721 282 1HG MET 35 HGS MET 35 5.731 -0.582 2.051 283 2HG MET 35 HGR MET 35 6.093 0.921 2.932 284 1HE MET 35 HME MET 35 5.166 1.655 4.714 285 2HE MET 35 HME MET 35 3.617 1.287 5.513 286 3HE MET 35 HME MET 35 4.967 0.130 5.613 287 H GLY 36 HN GLY 36 4.390 1.346 -1.764 288 1HA GLY 36 HAR GLY 36 4.521 -1.380 -2.345 289 2HA GLY 36 HAS GLY 36 3.945 -0.124 -3.478 290 H ARG 37 HN ARG 37 6.159 1.337 -4.016 291 HA ARG 37 HA ARG 37 7.833 -0.235 -5.708 292 1HB ARG 37 HBR ARG 37 7.468 2.515 -5.111 293 2HB ARG 37 HBS ARG 37 9.187 2.134 -4.802 294 1HG ARG 37 HGS ARG 37 9.000 0.952 -7.162 295 2HG ARG 37 HGR ARG 37 7.634 2.084 -7.367 296 1HD ARG 37 HDS ARG 37 10.532 2.695 -6.841 297 2HD ARG 37 HDR ARG 37 9.523 3.167 -8.237 298 HE ARG 37 HE ARG 37 8.358 4.269 -5.923 299 1HH1 ARG 37 HH1 ARG 37 11.132 4.687 -8.058 300 2HH1 ARG 37 HH1 ARG 37 11.426 6.312 -7.536 301 1HH2 ARG 37 HH2 ARG 37 8.854 6.349 -5.171 302 2HH2 ARG 37 HH2 ARG 37 10.137 7.253 -5.903 303 H ASP 38 HN ASP 38 7.950 0.653 -2.316 304 HA ASP 38 HA ASP 38 10.620 -0.108 -1.906 305 1HB ASP 38 HBR ASP 38 8.484 0.932 -0.353 306 2HB ASP 38 HBS ASP 38 9.216 -0.439 0.529 307 H ILE 39 HN ILE 39 7.616 -1.952 -1.366 308 HA ILE 39 HA ILE 39 8.941 -4.355 -0.454 309 HB ILE 39 HB ILE 39 6.215 -4.166 -1.814 310 1HG1 ILE 39 HG1 ILE 39 6.563 -3.876 1.171 311 2HG1 ILE 39 HG1 ILE 39 6.696 -2.455 0.096 312 1HG2 ILE 39 HMG ILE 39 7.564 -6.358 -0.903 313 2HG2 ILE 39 HMG ILE 39 6.565 -5.926 0.509 314 3HG2 ILE 39 HMG ILE 39 5.794 -6.229 -1.070 315 1HD1 ILE 39 HMD ILE 39 4.323 -4.183 -0.310 316 2HD1 ILE 39 HMD ILE 39 4.388 -3.282 1.228 317 3HD1 ILE 39 HMD ILE 39 4.472 -2.406 -0.324 318 H ALA 40 HN ALA 40 8.496 -2.786 -3.485 319 HA ALA 40 HA ALA 40 8.340 -5.123 -5.200 320 1HB ALA 40 HMB ALA 40 8.381 -2.219 -5.470 321 2HB ALA 40 HMB ALA 40 9.381 -3.039 -6.696 322 3HB ALA 40 HMB ALA 40 7.660 -3.467 -6.518 323 H SER 41 HN SER 41 10.876 -2.613 -5.134 324 HA SER 41 HA SER 41 12.926 -4.312 -6.064 325 1HB SER 41 HBS SER 41 14.417 -2.489 -4.924 326 2HB SER 41 HBR SER 41 13.443 -2.109 -6.374 327 HG SER 41 HG SER 41 12.347 -0.711 -5.378 328 H GLU 42 HN GLU 42 11.463 -4.073 -2.983 329 HA GLU 42 HA GLU 42 13.595 -5.368 -1.503 330 1HB GLU 42 HBR GLU 42 10.677 -4.765 -1.124 331 2HB GLU 42 HBS GLU 42 11.410 -5.925 -0.157 332 1HG GLU 42 HGR GLU 42 12.333 -3.020 -0.277 333 2HG GLU 42 HGS GLU 42 11.478 -3.863 1.044 334 H ALA 43 HN ALA 43 10.351 -6.512 -2.550 335 HA ALA 43 HA ALA 43 10.824 -9.235 -2.304 336 1HB ALA 43 HMB ALA 43 8.643 -8.055 -2.757 337 2HB ALA 43 HMB ALA 43 9.123 -7.992 -4.473 338 3HB ALA 43 HMB ALA 43 8.914 -9.565 -3.663 339 H ILE 44 HN ILE 44 12.110 -7.027 -4.602 340 HA ILE 44 HA ILE 44 12.509 -9.045 -6.689 341 HB ILE 44 HB ILE 44 13.075 -6.053 -6.491 342 1HG1 ILE 44 HG1 ILE 44 11.137 -7.576 -8.267 343 2HG1 ILE 44 HG1 ILE 44 10.715 -6.910 -6.664 344 1HG2 ILE 44 HMG ILE 44 14.441 -7.820 -8.181 345 2HG2 ILE 44 HMG ILE 44 13.197 -7.044 -9.196 346 3HG2 ILE 44 HMG ILE 44 14.360 -6.042 -8.289 347 1HD1 ILE 44 HMD ILE 44 11.772 -5.226 -8.947 348 2HD1 ILE 44 HMD ILE 44 10.036 -5.503 -8.641 349 3HD1 ILE 44 HMD ILE 44 11.035 -4.671 -7.420 350 H LYS 45 HN LYS 45 14.587 -6.805 -4.809 351 HA LYS 45 HA LYS 45 17.045 -8.131 -5.238 352 1HB LYS 45 HBR LYS 45 16.294 -5.903 -3.877 353 2HB LYS 45 HBS LYS 45 16.584 -7.036 -2.524 354 1HG LYS 45 HGR LYS 45 18.824 -7.506 -3.926 355 2HG LYS 45 HGS LYS 45 18.507 -5.837 -4.480 356 1HD LYS 45 HDS LYS 45 19.636 -5.210 -2.689 357 2HD LYS 45 HDR LYS 45 18.129 -5.500 -1.865 358 1HE LYS 45 HES LYS 45 19.225 -6.862 -0.514 359 2HE LYS 45 HER LYS 45 19.298 -7.994 -1.893 360 1HZ LYS 45 HZA LYS 45 21.330 -6.334 -2.368 361 2HZ LYS 45 HZB LYS 45 21.368 -6.408 -0.737 362 3HZ LYS 45 HZC LYS 45 21.470 -7.778 -1.618 363 H LEU 46 HN LEU 46 14.320 -8.842 -3.143 364 HA LEU 46 HA LEU 46 15.534 -10.877 -1.545 365 1HB LEU 46 HBR LEU 46 12.848 -9.868 -2.244 366 2HB LEU 46 HBS LEU 46 12.913 -11.595 -1.797 367 HG LEU 46 HG LEU 46 13.825 -11.047 0.368 368 1HD1 LEU 46 HMD LEU 46 14.979 -8.947 -0.734 369 2HD1 LEU 46 HMD LEU 46 13.502 -8.116 -0.183 370 3HD1 LEU 46 HMD LEU 46 14.547 -8.950 0.995 371 1HD2 LEU 46 HMD LEU 46 11.458 -9.300 -0.378 372 2HD2 LEU 46 HMD LEU 46 11.405 -10.994 0.172 373 3HD2 LEU 46 HMD LEU 46 11.949 -9.713 1.284 374 H ALA 47 HN ALA 47 13.455 -11.139 -4.457 375 HA ALA 47 HA ALA 47 13.554 -13.923 -4.558 376 1HB ALA 47 HMB ALA 47 11.881 -12.517 -5.680 377 2HB ALA 47 HMB ALA 47 13.112 -12.004 -6.861 378 3HB ALA 47 HMB ALA 47 12.612 -13.712 -6.782 379 H ARG 48 HN ARG 48 15.714 -11.518 -5.954 380 HA ARG 48 HA ARG 48 16.959 -13.398 -7.780 381 1HB ARG 48 HBS ARG 48 17.814 -10.591 -6.999 382 2HB ARG 48 HBR ARG 48 18.420 -11.554 -8.378 383 1HG ARG 48 HGS ARG 48 15.620 -10.440 -8.005 384 2HG ARG 48 HGR ARG 48 16.854 -9.896 -9.178 385 1HD ARG 48 HDS ARG 48 15.782 -11.255 -10.578 386 2HD ARG 48 HDR ARG 48 16.720 -12.534 -9.756 387 HE ARG 48 HE ARG 48 14.555 -12.490 -8.206 388 1HH1 ARG 48 HH1 ARG 48 14.596 -12.014 -11.700 389 2HH1 ARG 48 HH1 ARG 48 13.114 -12.874 -11.945 390 1HH2 ARG 48 HH2 ARG 48 12.688 -13.719 -8.581 391 2HH2 ARG 48 HH2 ARG 48 12.033 -13.839 -10.180 392 H HIS 49 HN HIS 49 17.820 -11.792 -4.724 393 HA HIS 49 HA HIS 49 20.339 -13.179 -4.376 394 1HB HIS 49 HBS HIS 49 18.585 -11.481 -2.650 395 2HB HIS 49 HBR HIS 49 19.587 -12.707 -1.822 396 HD1 HIS 49 HD1 HIS 49 22.240 -12.422 -2.070 397 HD2 HIS 49 HD2 HIS 49 19.964 -9.353 -3.728 398 HE1 HIS 49 HE1 HIS 49 23.846 -10.590 -2.659 399 HE2 HIS 49 HE2 HIS 49 22.477 -8.740 -3.683 400 H ALA 50 HN ALA 50 16.983 -13.952 -4.107 401 HA ALA 50 HA ALA 50 17.178 -16.354 -2.529 402 1HB ALA 50 HMB ALA 50 15.153 -14.933 -3.699 403 2HB ALA 50 HMB ALA 50 15.292 -16.341 -4.783 404 3HB ALA 50 HMB ALA 50 15.013 -16.583 -3.040 405 H GLY 51 HN GLY 51 17.500 -15.583 -5.997 406 1HA GLY 51 HAR GLY 51 19.333 -17.099 -6.968 407 2HA GLY 51 HAS GLY 51 18.208 -18.426 -6.582 408 H ARG 52 HN ARG 52 16.331 -15.783 -7.350 409 HA ARG 52 HA ARG 52 15.485 -14.768 -9.231 410 1HB ARG 52 HBR ARG 52 17.960 -14.747 -9.952 411 2HB ARG 52 HBS ARG 52 17.536 -16.172 -10.943 412 1HG ARG 52 HGS ARG 52 16.125 -14.942 -12.337 413 2HG ARG 52 HGR ARG 52 15.955 -13.613 -11.156 414 1HD ARG 52 HDS ARG 52 18.301 -14.303 -12.904 415 2HD ARG 52 HDR ARG 52 17.349 -12.794 -12.846 416 HE ARG 52 HE ARG 52 19.318 -13.682 -10.803 417 1HH1 ARG 52 HH1 ARG 52 17.121 -11.210 -12.022 418 2HH1 ARG 52 HH1 ARG 52 17.951 -9.920 -11.218 419 1HH2 ARG 52 HH2 ARG 52 20.450 -11.956 -9.866 420 2HH2 ARG 52 HH2 ARG 52 19.833 -10.341 -9.995 421 H LYS 53 HN LYS 53 13.742 -15.326 -10.323 422 HA LYS 53 HA LYS 53 13.585 -17.399 -12.181 423 1HB LYS 53 HBR LYS 53 13.620 -18.936 -10.256 424 2HB LYS 53 HBS LYS 53 12.179 -18.119 -9.587 425 1HG LYS 53 HGR LYS 53 11.462 -20.148 -10.668 426 2HG LYS 53 HGS LYS 53 10.931 -18.766 -11.668 427 1HD LYS 53 HDS LYS 53 13.540 -20.081 -12.283 428 2HD LYS 53 HDR LYS 53 12.065 -20.918 -12.684 429 1HE LYS 53 HES LYS 53 11.304 -18.826 -13.882 430 2HE LYS 53 HER LYS 53 12.977 -18.238 -13.672 431 1HZ LYS 53 HZA LYS 53 13.617 -20.396 -14.752 432 2HZ LYS 53 HZB LYS 53 12.055 -20.558 -15.200 433 3HZ LYS 53 HZC LYS 53 12.926 -19.278 -15.722 434 H THR 54 HN THR 54 11.297 -16.339 -9.632 435 HA THR 54 HA THR 54 10.226 -14.274 -11.333 436 HB THR 54 HB THR 54 8.437 -16.690 -10.716 437 HG1 THR 54 HG1 THR 54 9.220 -17.132 -12.280 438 1HG2 THR 54 HMG THR 54 7.733 -13.873 -11.372 439 2HG2 THR 54 HMG THR 54 6.829 -15.165 -12.203 440 3HG2 THR 54 HMG THR 54 6.847 -15.093 -10.423 441 H ILE 55 HN ILE 55 9.161 -12.735 -10.187 442 HA ILE 55 HA ILE 55 9.239 -12.758 -7.286 443 HB ILE 55 HB ILE 55 7.764 -10.894 -9.212 444 1HG1 ILE 55 HG1 ILE 55 10.173 -11.054 -9.693 445 2HG1 ILE 55 HG1 ILE 55 9.701 -9.434 -9.102 446 1HG2 ILE 55 HMG ILE 55 7.098 -10.914 -6.741 447 2HG2 ILE 55 HMG ILE 55 8.702 -10.195 -6.438 448 3HG2 ILE 55 HMG ILE 55 7.527 -9.349 -7.480 449 1HD1 ILE 55 HMD ILE 55 10.741 -11.442 -7.137 450 2HD1 ILE 55 HMD ILE 55 11.886 -10.627 -8.236 451 3HD1 ILE 55 HMD ILE 55 10.865 -9.662 -7.137 452 H LYS 56 HN LYS 56 7.650 -13.185 -5.878 453 HA LYS 56 HA LYS 56 5.214 -14.507 -6.987 454 1HB LYS 56 HBS LYS 56 7.377 -15.875 -6.056 455 2HB LYS 56 HBR LYS 56 6.430 -15.672 -4.555 456 1HG LYS 56 HGR LYS 56 5.602 -17.684 -5.340 457 2HG LYS 56 HGS LYS 56 4.436 -16.531 -6.051 458 1HD LYS 56 HDS LYS 56 5.443 -16.641 -8.175 459 2HD LYS 56 HDR LYS 56 6.866 -17.428 -7.549 460 1HE LYS 56 HES LYS 56 5.748 -19.476 -7.189 461 2HE LYS 56 HER LYS 56 4.155 -18.709 -7.446 462 1HZ LYS 56 HZC LYS 56 5.520 -18.189 -9.708 463 2HZ LYS 56 HZA LYS 56 5.995 -19.712 -9.355 464 3HZ LYS 56 HZB LYS 56 4.406 -19.369 -9.519 465 H ALA 57 HN ALA 57 3.590 -14.961 -5.296 466 HA ALA 57 HA ALA 57 2.975 -12.710 -3.613 467 1HB ALA 57 HMB ALA 57 1.936 -15.557 -3.629 468 2HB ALA 57 HMB ALA 57 1.242 -14.201 -2.704 469 3HB ALA 57 HMB ALA 57 1.241 -14.158 -4.486 470 H GLU 58 HN GLU 58 5.068 -15.422 -3.349 471 HA GLU 58 HA GLU 58 5.323 -15.360 -0.431 472 1HB GLU 58 HBR GLU 58 6.056 -17.019 -2.566 473 2HB GLU 58 HBS GLU 58 7.498 -16.292 -2.109 474 1HG GLU 58 HGS GLU 58 7.177 -18.437 -0.957 475 2HG GLU 58 HGR GLU 58 7.440 -17.094 0.189 476 H ASP 59 HN ASP 59 6.949 -14.026 -3.304 477 HA ASP 59 HA ASP 59 9.203 -13.027 -1.818 478 1HB ASP 59 HBR ASP 59 8.410 -12.179 -4.594 479 2HB ASP 59 HBS ASP 59 10.022 -12.158 -3.827 480 H ILE 60 HN ILE 60 6.123 -11.730 -2.899 481 HA ILE 60 HA ILE 60 6.507 -9.083 -1.783 482 HB ILE 60 HB ILE 60 4.171 -10.760 -2.729 483 1HG1 ILE 60 HG1 ILE 60 3.859 -8.923 -4.264 484 2HG1 ILE 60 HG1 ILE 60 5.078 -7.943 -3.400 485 1HG2 ILE 60 HMG ILE 60 3.397 -9.648 -0.613 486 2HG2 ILE 60 HMG ILE 60 3.729 -8.084 -1.403 487 3HG2 ILE 60 HMG ILE 60 2.517 -9.194 -2.097 488 1HD1 ILE 60 HMD ILE 60 6.801 -9.631 -4.036 489 2HD1 ILE 60 HMD ILE 60 5.565 -10.461 -5.018 490 3HD1 ILE 60 HMD ILE 60 6.059 -8.797 -5.428 491 H GLU 61 HN GLU 61 4.888 -12.076 -0.624 492 HA GLU 61 HA GLU 61 4.102 -11.059 1.812 493 1HB GLU 61 HBR GLU 61 4.693 -13.781 0.726 494 2HB GLU 61 HBS GLU 61 4.524 -13.631 2.389 495 1HG GLU 61 HGS GLU 61 2.376 -12.145 1.431 496 2HG GLU 61 HGR GLU 61 2.346 -13.627 0.437 497 H LEU 62 HN LEU 62 7.150 -12.721 1.019 498 HA LEU 62 HA LEU 62 8.317 -12.394 3.590 499 1HB LEU 62 HBS LEU 62 9.208 -13.068 0.816 500 2HB LEU 62 HBR LEU 62 10.447 -12.659 2.037 501 HG LEU 62 HG LEU 62 9.844 -14.514 3.394 502 1HD1 LEU 62 HMD LEU 62 7.340 -14.258 2.805 503 2HD1 LEU 62 HMD LEU 62 7.708 -15.316 1.419 504 3HD1 LEU 62 HMD LEU 62 7.980 -15.898 3.080 505 1HD2 LEU 62 HMD LEU 62 11.034 -14.697 1.004 506 2HD2 LEU 62 HMD LEU 62 10.756 -16.114 2.048 507 3HD2 LEU 62 HMD LEU 62 9.647 -15.772 0.697 508 H ALA 63 HN ALA 63 8.697 -10.516 0.565 509 HA ALA 63 HA ALA 63 10.442 -8.614 1.503 510 1HB ALA 63 HMB ALA 63 9.767 -8.896 -0.842 511 2HB ALA 63 HMB ALA 63 8.187 -8.162 -0.470 512 3HB ALA 63 HMB ALA 63 9.676 -7.196 -0.312 513 H VAL 64 HN VAL 64 6.974 -8.813 2.021 514 HA VAL 64 HA VAL 64 6.892 -6.057 2.845 515 HB VAL 64 HB VAL 64 5.300 -7.733 1.449 516 1HG1 VAL 64 HMG VAL 64 4.031 -7.574 4.179 517 2HG1 VAL 64 HMG VAL 64 3.052 -7.669 2.695 518 3HG1 VAL 64 HMG VAL 64 4.211 -8.963 3.081 519 1HG2 VAL 64 HMG VAL 64 5.316 -5.011 2.238 520 2HG2 VAL 64 HMG VAL 64 4.557 -5.776 0.821 521 3HG2 VAL 64 HMG VAL 64 3.635 -5.590 2.332 522 H ARG 65 HN ARG 65 5.791 -9.085 4.429 523 HA ARG 65 HA ARG 65 5.650 -8.101 7.036 524 1HB ARG 65 HBS ARG 65 4.849 -10.318 6.368 525 2HB ARG 65 HBR ARG 65 6.536 -10.869 6.161 526 1HG ARG 65 HGS ARG 65 6.390 -11.607 8.266 527 2HG ARG 65 HGR ARG 65 6.513 -9.891 8.748 528 1HD ARG 65 HDS ARG 65 4.033 -11.558 8.369 529 2HD ARG 65 HDR ARG 65 4.648 -10.806 9.869 530 HE ARG 65 HE ARG 65 3.952 -8.672 9.047 531 1HH1 ARG 65 HH1 ARG 65 3.254 -11.231 6.724 532 2HH1 ARG 65 HH1 ARG 65 1.970 -10.346 5.971 533 1HH2 ARG 65 HH2 ARG 65 2.185 -7.599 8.120 534 2HH2 ARG 65 HH2 ARG 65 1.365 -8.290 6.760 535 H ARG 66 HN ARG 66 8.439 -8.811 5.081 536 HA ARG 66 HA ARG 66 10.319 -8.642 7.347 537 1HB ARG 66 HBS ARG 66 10.754 -8.791 4.347 538 2HB ARG 66 HBR ARG 66 12.053 -8.645 5.565 539 1HG ARG 66 HGS ARG 66 11.485 -10.800 6.502 540 2HG ARG 66 HGR ARG 66 10.067 -10.937 5.424 541 1HD ARG 66 HDS ARG 66 11.681 -10.753 3.499 542 2HD ARG 66 HDR ARG 66 12.990 -10.961 4.697 543 HE ARG 66 HE ARG 66 11.223 -13.063 5.136 544 1HH1 ARG 66 HH1 ARG 66 12.890 -11.866 2.269 545 2HH1 ARG 66 HH1 ARG 66 13.201 -13.455 1.654 546 1HH2 ARG 66 HH2 ARG 66 11.763 -15.125 4.365 547 2HH2 ARG 66 HH2 ARG 66 12.563 -15.299 2.839 548 H PHE 67 HN PHE 67 8.827 -6.686 4.850 549 HA PHE 67 HA PHE 67 10.458 -4.455 4.901 550 1HB PHE 67 HBR PHE 67 8.271 -4.901 3.502 551 2HB PHE 67 HBS PHE 67 7.471 -4.022 4.838 552 HD1 PHE 67 HD1 PHE 67 10.597 -3.748 2.883 553 HD2 PHE 67 HD2 PHE 67 7.202 -1.686 4.423 554 HE1 PHE 67 HE1 PHE 67 11.504 -1.643 2.007 555 HE2 PHE 67 HE2 PHE 67 8.096 0.449 3.547 556 HZ PHE 67 HZ PHE 67 10.316 0.474 2.445 557 H LYS 68 HN LYS 68 7.668 -5.154 7.023 558 HA LYS 68 HA LYS 68 8.915 -4.257 9.355 559 1HB LYS 68 HBS LYS 68 8.668 -2.008 8.146 560 2HB LYS 68 HBR LYS 68 6.914 -2.184 8.443 561 1HG LYS 68 HGR LYS 68 7.986 -0.781 10.159 562 2HG LYS 68 HGS LYS 68 7.325 -2.284 10.864 563 1HD LYS 68 HDS LYS 68 9.397 -1.978 11.887 564 2HD LYS 68 HDR LYS 68 9.565 -3.286 10.748 565 1HE LYS 68 HES LYS 68 10.890 -2.091 9.295 566 2HE LYS 68 HER LYS 68 10.281 -0.522 9.895 567 1HZ LYS 68 HZB LYS 68 11.667 -2.148 11.815 568 2HZ LYS 68 HZC LYS 68 12.595 -1.565 10.605 569 3HZ LYS 68 HZA LYS 68 11.749 -0.538 11.552 570 H LYS 69 HN LYS 69 7.874 -5.238 10.917 571 HA LYS 69 HA LYS 69 6.207 -6.043 12.266 572 1HB LYS 69 HBS LYS 69 5.018 -3.649 10.918 573 2HB LYS 69 HBR LYS 69 3.946 -4.718 11.866 574 1HG LYS 69 HGR LYS 69 4.837 -2.774 13.162 575 2HG LYS 69 HGS LYS 69 5.261 -4.362 13.864 576 1HD LYS 69 HDS LYS 69 7.326 -3.632 12.057 577 2HD LYS 69 HDR LYS 69 6.955 -2.224 13.015 578 1HE LYS 69 HES LYS 69 7.772 -4.938 14.030 579 2HE LYS 69 HER LYS 69 8.670 -3.396 14.123 580 1HZ LYS 69 HZB LYS 69 6.129 -3.144 15.280 581 2HZ LYS 69 HZC LYS 69 6.917 -4.400 15.964 582 3HZ LYS 69 HZA LYS 69 7.595 -2.913 15.960 583 1H MET 1 HN MET 1 -10.334 -7.695 -6.825 584 2H MET 1 HNC MET 1 -9.791 -9.000 -7.645 585 3H MET 1 HNB MET 1 -8.748 -7.825 -7.195 586 HA MET 1 HA MET 1 -9.038 -7.462 -9.417 587 1HB MET 1 HBS MET 1 -11.657 -8.566 -8.790 588 2HB MET 1 HBR MET 1 -11.788 -7.121 -9.824 589 1HG MET 1 HGS MET 1 -9.797 -9.344 -10.441 590 2HG MET 1 HGR MET 1 -11.497 -9.453 -10.952 591 1HE MET 1 HME MET 1 -12.707 -7.553 -12.191 592 2HE MET 1 HME MET 1 -11.947 -6.873 -13.653 593 3HE MET 1 HME MET 1 -12.028 -8.639 -13.429 594 H GLU 2 HN GLU 2 -9.034 -5.994 -6.814 595 HA GLU 2 HA GLU 2 -10.778 -3.712 -7.189 596 1HB GLU 2 HBR GLU 2 -8.524 -3.832 -5.229 597 2HB GLU 2 HBS GLU 2 -10.020 -3.082 -5.126 598 1HG GLU 2 HGS GLU 2 -10.888 -5.625 -5.423 599 2HG GLU 2 HGR GLU 2 -9.423 -5.918 -4.448 600 H LEU 3 HN LEU 3 -7.262 -3.747 -6.511 601 HA LEU 3 HA LEU 3 -6.859 -1.406 -8.176 602 1HB LEU 3 HBR LEU 3 -4.631 -3.027 -7.004 603 2HB LEU 3 HBS LEU 3 -4.826 -1.255 -7.123 604 HG LEU 3 HG LEU 3 -6.150 -3.113 -5.130 605 1HD1 LEU 3 HMD LEU 3 -3.711 -2.487 -4.829 606 2HD1 LEU 3 HMD LEU 3 -4.254 -0.797 -4.674 607 3HD1 LEU 3 HMD LEU 3 -4.804 -2.019 -3.502 608 1HD2 LEU 3 HMD LEU 3 -6.670 -0.320 -6.016 609 2HD2 LEU 3 HMD LEU 3 -7.777 -1.538 -5.330 610 3HD2 LEU 3 HMD LEU 3 -6.682 -0.624 -4.260 611 HA PRO 4 HA PRO 4 -5.401 -3.436 -11.849 612 1HB PRO 4 HBR PRO 4 -4.197 -1.263 -12.835 613 2HB PRO 4 HBS PRO 4 -5.753 -1.685 -13.146 614 1HG PRO 4 HGS PRO 4 -4.839 0.421 -11.617 615 2HG PRO 4 HGR PRO 4 -6.398 0.124 -12.129 616 1HD PRO 4 HDS PRO 4 -5.347 -0.299 -9.614 617 2HD PRO 4 HDR PRO 4 -6.909 -0.531 -10.106 618 H ILE 5 HN ILE 5 -3.650 -4.502 -12.505 619 HA ILE 5 HA ILE 5 -1.227 -4.015 -10.912 620 HB ILE 5 HB ILE 5 -0.440 -6.148 -11.776 621 1HG1 ILE 5 HG1 ILE 5 -1.494 -5.725 -14.083 622 2HG1 ILE 5 HG1 ILE 5 -1.385 -7.404 -13.487 623 1HG2 ILE 5 HMG ILE 5 -3.299 -6.198 -10.815 624 2HG2 ILE 5 HMG ILE 5 -2.306 -7.665 -11.014 625 3HG2 ILE 5 HMG ILE 5 -1.797 -6.392 -9.874 626 1HD1 ILE 5 HMD ILE 5 -3.863 -6.821 -12.640 627 2HD1 ILE 5 HMD ILE 5 -3.768 -5.709 -14.031 628 3HD1 ILE 5 HMD ILE 5 -3.512 -7.458 -14.268 629 H ALA 6 HN ALA 6 -2.302 -2.334 -13.274 630 HA ALA 6 HA ALA 6 0.010 -2.456 -15.086 631 1HB ALA 6 HMB ALA 6 -2.690 -1.709 -15.329 632 2HB ALA 6 HMB ALA 6 -1.750 -0.204 -15.488 633 3HB ALA 6 HMB ALA 6 -1.406 -1.586 -16.559 634 HA PRO 7 HA PRO 7 0.560 1.859 -12.940 635 1HB PRO 7 HBR PRO 7 -1.015 2.226 -10.802 636 2HB PRO 7 HBS PRO 7 -1.221 2.964 -12.254 637 1HG PRO 7 HGS PRO 7 -2.722 0.903 -11.137 638 2HG PRO 7 HGR PRO 7 -3.142 1.939 -12.376 639 1HD PRO 7 HDS PRO 7 -2.412 -0.644 -12.663 640 2HD PRO 7 HDR PRO 7 -2.564 0.458 -13.885 641 H ILE 8 HN ILE 8 -0.515 -0.607 -10.744 642 HA ILE 8 HA ILE 8 1.726 -0.466 -8.971 643 HB ILE 8 HB ILE 8 0.001 -2.884 -9.701 644 1HG1 ILE 8 HG1 ILE 8 -0.458 -0.616 -7.734 645 2HG1 ILE 8 HG1 ILE 8 -1.469 -1.094 -9.128 646 1HG2 ILE 8 HMG ILE 8 2.097 -3.336 -8.404 647 2HG2 ILE 8 HMG ILE 8 1.429 -2.322 -7.097 648 3HG2 ILE 8 HMG ILE 8 0.583 -3.813 -7.591 649 1HD1 ILE 8 HMD ILE 8 -1.155 -3.289 -7.255 650 2HD1 ILE 8 HMD ILE 8 -1.809 -1.836 -6.455 651 3HD1 ILE 8 HMD ILE 8 -2.638 -2.519 -7.880 652 H GLY 9 HN GLY 9 1.066 -2.247 -11.982 653 1HA GLY 9 HAR GLY 9 3.321 -3.817 -12.107 654 2HA GLY 9 HAS GLY 9 2.487 -3.173 -13.547 655 H ARG 10 HN ARG 10 3.048 -0.368 -12.635 656 HA ARG 10 HA ARG 10 5.795 -0.223 -13.675 657 1HB ARG 10 HBR ARG 10 3.737 1.043 -14.598 658 2HB ARG 10 HBS ARG 10 3.958 2.122 -13.190 659 1HG ARG 10 HGS ARG 10 6.329 1.563 -14.927 660 2HG ARG 10 HGR ARG 10 5.052 2.640 -15.560 661 1HD ARG 10 HDS ARG 10 6.759 2.955 -13.109 662 2HD ARG 10 HDR ARG 10 6.581 4.050 -14.508 663 HE ARG 10 HE ARG 10 5.072 4.168 -12.144 664 1HH1 ARG 10 HH1 ARG 10 4.671 4.398 -15.639 665 2HH1 ARG 10 HH1 ARG 10 3.148 5.213 -15.520 666 1HH2 ARG 10 HH2 ARG 10 3.019 5.122 -12.030 667 2HH2 ARG 10 HH2 ARG 10 2.213 5.625 -13.478 668 H ILE 11 HN ILE 11 4.057 0.196 -10.728 669 HA ILE 11 HA ILE 11 5.987 1.741 -9.254 670 HB ILE 11 HB ILE 11 3.991 -0.416 -8.413 671 1HG1 ILE 11 HG1 ILE 11 3.188 1.755 -9.484 672 2HG1 ILE 11 HG1 ILE 11 2.479 1.307 -7.906 673 1HG2 ILE 11 HMG ILE 11 6.052 0.097 -6.873 674 2HG2 ILE 11 HMG ILE 11 5.107 1.552 -6.460 675 3HG2 ILE 11 HMG ILE 11 4.411 -0.069 -6.195 676 1HD1 ILE 11 HMD ILE 11 4.811 2.981 -7.537 677 2HD1 ILE 11 HMD ILE 11 3.638 3.757 -8.633 678 3HD1 ILE 11 HMD ILE 11 3.127 3.233 -7.006 679 H ILE 12 HN ILE 12 5.484 -1.766 -9.767 680 HA ILE 12 HA ILE 12 7.837 -2.385 -8.233 681 HB ILE 12 HB ILE 12 6.232 -4.327 -9.953 682 1HG1 ILE 12 HG1 ILE 12 4.523 -3.149 -8.857 683 2HG1 ILE 12 HG1 ILE 12 4.767 -4.634 -7.897 684 1HG2 ILE 12 HMG ILE 12 8.405 -4.784 -8.385 685 2HG2 ILE 12 HMG ILE 12 7.071 -5.114 -7.248 686 3HG2 ILE 12 HMG ILE 12 7.158 -5.991 -8.798 687 1HD1 ILE 12 HMD ILE 12 6.342 -2.326 -6.967 688 2HD1 ILE 12 HMD ILE 12 4.575 -2.101 -6.882 689 3HD1 ILE 12 HMD ILE 12 5.338 -3.485 -6.057 690 H LYS 13 HN LYS 13 7.013 -2.288 -11.663 691 HA LYS 13 HA LYS 13 9.462 -3.276 -12.710 692 1HB LYS 13 HBR LYS 13 7.210 -1.610 -13.685 693 2HB LYS 13 HBS LYS 13 8.775 -1.369 -14.510 694 1HG LYS 13 HGR LYS 13 7.367 -4.045 -14.159 695 2HG LYS 13 HGS LYS 13 7.341 -3.050 -15.643 696 1HD LYS 13 HDS LYS 13 9.814 -4.229 -14.372 697 2HD LYS 13 HDR LYS 13 8.925 -4.932 -15.695 698 1HE LYS 13 HES LYS 13 9.400 -3.071 -17.135 699 2HE LYS 13 HER LYS 13 10.162 -2.192 -15.779 700 1HZ LYS 13 HZB LYS 13 11.124 -4.764 -16.824 701 2HZ LYS 13 HZC LYS 13 11.734 -3.314 -17.261 702 3HZ LYS 13 HZA LYS 13 11.859 -3.819 -15.713 703 H ASP 14 HN ASP 14 8.392 0.049 -11.911 704 HA ASP 14 HA ASP 14 10.701 1.344 -12.483 705 1HB ASP 14 HBS ASP 14 8.614 2.455 -11.955 706 2HB ASP 14 HBR ASP 14 8.808 2.011 -10.234 707 H ALA 15 HN ALA 15 9.922 -0.330 -9.472 708 HA ALA 15 HA ALA 15 12.294 -0.029 -8.076 709 1HB ALA 15 HMB ALA 15 10.042 -1.667 -7.948 710 2HB ALA 15 HMB ALA 15 11.416 -2.795 -8.076 711 3HB ALA 15 HMB ALA 15 11.380 -1.579 -6.773 712 H GLY 16 HN GLY 16 11.592 -2.298 -10.733 713 1HA GLY 16 HAR GLY 16 13.575 -2.822 -12.156 714 2HA GLY 16 HAS GLY 16 14.435 -3.232 -10.648 715 H ALA 17 HN ALA 17 11.088 -4.023 -10.688 716 HA ALA 17 HA ALA 17 11.357 -6.769 -10.511 717 1HB ALA 17 HMB ALA 17 9.321 -5.081 -10.239 718 2HB ALA 17 HMB ALA 17 8.926 -5.702 -11.862 719 3HB ALA 17 HMB ALA 17 9.089 -6.829 -10.491 720 H GLU 18 HN GLU 18 11.234 -8.488 -11.876 721 HA GLU 18 HA GLU 18 10.631 -8.067 -14.705 722 1HB GLU 18 HBR GLU 18 13.306 -8.858 -13.649 723 2HB GLU 18 HBS GLU 18 12.688 -9.772 -14.915 724 1HG GLU 18 HGS GLU 18 12.680 -6.798 -15.176 725 2HG GLU 18 HGR GLU 18 14.160 -7.697 -15.607 726 H ARG 19 HN ARG 19 9.075 -9.467 -15.028 727 HA ARG 19 HA ARG 19 7.921 -11.452 -15.175 728 1HB ARG 19 HBR ARG 19 10.230 -12.873 -13.835 729 2HB ARG 19 HBS ARG 19 8.930 -13.555 -14.853 730 1HG ARG 19 HGS ARG 19 9.894 -12.751 -16.832 731 2HG ARG 19 HGR ARG 19 10.926 -11.580 -15.964 732 1HD ARG 19 HDS ARG 19 12.453 -13.149 -15.370 733 2HD ARG 19 HDR ARG 19 11.256 -14.475 -15.368 734 HE ARG 19 HE ARG 19 11.565 -13.560 -18.023 735 1HH1 ARG 19 HH1 ARG 19 13.196 -15.472 -15.549 736 2HH1 ARG 19 HH1 ARG 19 14.239 -16.256 -16.688 737 1HH2 ARG 19 HH2 ARG 19 13.034 -14.511 -19.465 738 2HH2 ARG 19 HH2 ARG 19 14.147 -15.713 -18.904 739 H VAL 20 HN VAL 20 6.498 -10.537 -13.689 740 HA VAL 20 HA VAL 20 6.891 -11.342 -10.853 741 HB VAL 20 HB VAL 20 5.053 -9.189 -11.915 742 1HG1 VAL 20 HMG VAL 20 5.811 -10.034 -9.115 743 2HG1 VAL 20 HMG VAL 20 5.061 -8.465 -9.494 744 3HG1 VAL 20 HMG VAL 20 4.195 -9.977 -9.856 745 1HG2 VAL 20 HMG VAL 20 7.429 -8.618 -12.278 746 2HG2 VAL 20 HMG VAL 20 6.618 -7.544 -11.114 747 3HG2 VAL 20 HMG VAL 20 7.720 -8.817 -10.533 748 H SER 21 HN SER 21 5.831 -13.050 -10.272 749 HA SER 21 HA SER 21 3.904 -14.376 -11.773 750 1HB SER 21 HBS SER 21 5.096 -15.533 -10.074 751 2HB SER 21 HBR SER 21 4.439 -14.474 -8.793 752 HG SER 21 HG SER 21 3.360 -16.385 -8.705 753 H ASP 22 HN ASP 22 1.660 -14.810 -11.311 754 HA ASP 22 HA ASP 22 0.178 -12.338 -11.266 755 1HB ASP 22 HBS ASP 22 -0.272 -14.707 -12.430 756 2HB ASP 22 HBR ASP 22 -1.290 -14.881 -10.971 757 H ASP 23 HN ASP 23 0.833 -14.944 -8.983 758 HA ASP 23 HA ASP 23 -0.770 -13.934 -6.849 759 1HB ASP 23 HBS ASP 23 0.760 -16.170 -7.243 760 2HB ASP 23 HBR ASP 23 1.693 -15.255 -6.023 761 H ALA 24 HN ALA 24 2.631 -13.402 -7.775 762 HA ALA 24 HA ALA 24 3.331 -11.829 -5.573 763 1HB ALA 24 HMB ALA 24 4.564 -12.778 -7.872 764 2HB ALA 24 HMB ALA 24 4.676 -11.006 -8.020 765 3HB ALA 24 HMB ALA 24 5.314 -11.821 -6.569 766 H ARG 25 HN ARG 25 2.346 -10.746 -8.846 767 HA ARG 25 HA ARG 25 2.323 -8.023 -8.343 768 1HB ARG 25 HBR ARG 25 1.007 -9.811 -10.314 769 2HB ARG 25 HBS ARG 25 0.277 -8.194 -10.102 770 1HG ARG 25 HGS ARG 25 1.998 -7.137 -11.112 771 2HG ARG 25 HGR ARG 25 3.223 -8.232 -10.411 772 1HD ARG 25 HDS ARG 25 3.107 -8.442 -12.827 773 2HD ARG 25 HDR ARG 25 2.619 -9.953 -12.007 774 HE ARG 25 HE ARG 25 0.479 -8.103 -12.831 775 1HH1 ARG 25 HH1 ARG 25 2.430 -10.905 -13.711 776 2HH1 ARG 25 HH1 ARG 25 1.178 -11.609 -14.678 777 1HH2 ARG 25 HH2 ARG 25 -1.176 -9.116 -14.003 778 2HH2 ARG 25 HH2 ARG 25 -0.861 -10.594 -14.849 779 H ILE 26 HN ILE 26 -0.181 -10.433 -7.679 780 HA ILE 26 HA ILE 26 -2.170 -8.388 -7.142 781 HB ILE 26 HB ILE 26 -2.246 -11.442 -7.026 782 1HG1 ILE 26 HG1 ILE 26 -3.398 -9.527 -9.090 783 2HG1 ILE 26 HG1 ILE 26 -1.813 -10.340 -9.236 784 1HG2 ILE 26 HMG ILE 26 -4.177 -9.509 -6.069 785 2HG2 ILE 26 HMG ILE 26 -4.852 -10.518 -7.376 786 3HG2 ILE 26 HMG ILE 26 -4.160 -11.286 -5.923 787 1HD1 ILE 26 HMD ILE 26 -2.995 -12.533 -9.129 788 2HD1 ILE 26 HMD ILE 26 -4.545 -11.651 -9.152 789 3HD1 ILE 26 HMD ILE 26 -3.436 -11.541 -10.544 790 H THR 27 HN THR 27 -0.012 -10.423 -5.305 791 HA THR 27 HA THR 27 -1.469 -10.274 -2.785 792 HB THR 27 HB THR 27 1.408 -11.107 -3.457 793 HG1 THR 27 HG1 THR 27 0.334 -12.413 -4.140 794 1HG2 THR 27 HMG THR 27 0.323 -10.423 -0.896 795 2HG2 THR 27 HMG THR 27 0.605 -12.183 -0.962 796 3HG2 THR 27 HMG THR 27 1.940 -11.053 -1.305 797 H LEU 28 HN LEU 28 1.098 -8.514 -4.466 798 HA LEU 28 HA LEU 28 1.683 -6.669 -2.290 799 1HB LEU 28 HBR LEU 28 2.933 -7.407 -4.551 800 2HB LEU 28 HBS LEU 28 2.033 -6.008 -5.184 801 HG LEU 28 HG LEU 28 3.319 -4.482 -4.109 802 1HD1 LEU 28 HMD LEU 28 2.932 -5.464 -1.809 803 2HD1 LEU 28 HMD LEU 28 4.346 -6.507 -2.102 804 3HD1 LEU 28 HMD LEU 28 4.531 -4.734 -2.091 805 1HD2 LEU 28 HMD LEU 28 4.614 -6.620 -5.357 806 2HD2 LEU 28 HMD LEU 28 5.254 -4.983 -5.064 807 3HD2 LEU 28 HMD LEU 28 5.581 -6.289 -3.897 808 H ALA 29 HN ALA 29 -0.123 -6.455 -5.377 809 HA ALA 29 HA ALA 29 -1.485 -4.143 -4.910 810 1HB ALA 29 HMB ALA 29 -2.435 -6.645 -6.325 811 2HB ALA 29 HMB ALA 29 -3.270 -5.072 -6.400 812 3HB ALA 29 HMB ALA 29 -1.608 -5.229 -7.024 813 H LYS 30 HN LYS 30 -2.178 -7.303 -3.537 814 HA LYS 30 HA LYS 30 -4.685 -6.394 -2.383 815 1HB LYS 30 HBR LYS 30 -4.330 -8.699 -3.257 816 2HB LYS 30 HBS LYS 30 -3.176 -8.987 -1.925 817 1HG LYS 30 HGR LYS 30 -4.892 -8.828 -0.278 818 2HG LYS 30 HGS LYS 30 -6.062 -8.168 -1.456 819 1HD LYS 30 HDS LYS 30 -6.653 -10.163 -2.221 820 2HD LYS 30 HDR LYS 30 -5.008 -10.735 -2.274 821 1HE LYS 30 HES LYS 30 -5.772 -10.517 0.467 822 2HE LYS 30 HER LYS 30 -7.026 -11.412 -0.438 823 1HZ LYS 30 HZB LYS 30 -4.696 -12.409 -1.351 824 2HZ LYS 30 HZC LYS 30 -4.392 -12.206 0.240 825 3HZ LYS 30 HZA LYS 30 -5.662 -13.114 -0.238 826 H ILE 31 HN ILE 31 -1.367 -6.868 -1.351 827 HA ILE 31 HA ILE 31 -1.795 -6.477 1.477 828 HB ILE 31 HB ILE 31 0.510 -6.460 -0.460 829 1HG1 ILE 31 HG1 ILE 31 0.285 -7.763 2.261 830 2HG1 ILE 31 HG1 ILE 31 -0.524 -8.423 0.809 831 1HG2 ILE 31 HMG ILE 31 0.528 -4.734 1.890 832 2HG2 ILE 31 HMG ILE 31 1.797 -5.984 1.936 833 3HG2 ILE 31 HMG ILE 31 1.687 -4.878 0.543 834 1HD1 ILE 31 HMD ILE 31 2.379 -7.801 0.579 835 2HD1 ILE 31 HMD ILE 31 1.924 -9.197 1.592 836 3HD1 ILE 31 HMD ILE 31 1.428 -9.138 -0.120 837 H LEU 32 HN LEU 32 -0.477 -4.241 -1.006 838 HA LEU 32 HA LEU 32 -0.836 -1.904 0.316 839 1HB LEU 32 HBR LEU 32 -0.438 -2.823 -2.394 840 2HB LEU 32 HBS LEU 32 -1.429 -1.336 -2.377 841 HG LEU 32 HG LEU 32 0.621 -0.677 -0.683 842 1HD1 LEU 32 HMD LEU 32 1.501 -2.901 -2.326 843 2HD1 LEU 32 HMD LEU 32 2.424 -1.423 -2.697 844 3HD1 LEU 32 HMD LEU 32 2.358 -2.036 -1.025 845 1HD2 LEU 32 HMD LEU 32 -0.297 -0.149 -3.407 846 2HD2 LEU 32 HMD LEU 32 0.284 0.977 -2.153 847 3HD2 LEU 32 HMD LEU 32 1.451 0.136 -3.205 848 H GLU 33 HN GLU 33 -3.334 -3.783 -1.257 849 HA GLU 33 HA GLU 33 -5.356 -1.762 -1.026 850 1HB GLU 33 HBR GLU 33 -5.336 -3.588 -2.651 851 2HB GLU 33 HBS GLU 33 -5.309 -4.721 -1.414 852 1HG GLU 33 HGS GLU 33 -7.518 -4.720 -2.290 853 2HG GLU 33 HGR GLU 33 -7.605 -4.109 -0.614 854 H GLU 34 HN GLU 34 -4.933 -4.875 0.727 855 HA GLU 34 HA GLU 34 -7.134 -4.387 2.525 856 1HB GLU 34 HBR GLU 34 -5.052 -6.386 2.000 857 2HB GLU 34 HBS GLU 34 -5.301 -6.150 3.642 858 1HG GLU 34 HGS GLU 34 -7.590 -6.694 1.784 859 2HG GLU 34 HGR GLU 34 -6.788 -8.002 2.694 860 H MET 35 HN MET 35 -3.622 -3.887 2.625 861 HA MET 35 HA MET 35 -3.485 -2.677 5.212 862 1HB MET 35 HBS MET 35 -1.551 -3.438 3.766 863 2HB MET 35 HBR MET 35 -1.795 -1.946 2.813 864 1HG MET 35 HGS MET 35 -1.599 -0.652 5.004 865 2HG MET 35 HGR MET 35 -1.096 -2.183 5.760 866 1HE MET 35 HME MET 35 0.748 -3.126 5.771 867 2HE MET 35 HME MET 35 2.073 -3.169 4.581 868 3HE MET 35 HME MET 35 2.085 -1.954 5.884 869 H GLY 36 HN GLY 36 -4.004 -1.353 1.931 870 1HA GLY 36 HAR GLY 36 -4.095 1.344 2.621 871 2HA GLY 36 HAS GLY 36 -4.919 0.634 1.203 872 H ARG 37 HN ARG 37 -6.857 -0.909 2.212 873 HA ARG 37 HA ARG 37 -8.873 0.791 3.273 874 1HB ARG 37 HBR ARG 37 -8.659 -1.909 2.381 875 2HB ARG 37 HBS ARG 37 -9.382 -1.923 4.016 876 1HG ARG 37 HGS ARG 37 -10.527 0.114 2.231 877 2HG ARG 37 HGR ARG 37 -10.747 -1.561 1.649 878 1HD ARG 37 HDS ARG 37 -11.228 -1.336 4.493 879 2HD ARG 37 HDR ARG 37 -12.256 -0.215 3.555 880 HE ARG 37 HE ARG 37 -13.367 -2.037 2.628 881 1HH1 ARG 37 HH1 ARG 37 -10.727 -3.117 4.699 882 2HH1 ARG 37 HH1 ARG 37 -11.138 -4.791 4.535 883 1HH2 ARG 37 HH2 ARG 37 -13.796 -4.244 2.335 884 2HH2 ARG 37 HH2 ARG 37 -12.876 -5.429 3.200 885 H ASP 38 HN ASP 38 -6.376 -1.185 4.742 886 HA ASP 38 HA ASP 38 -7.433 -1.138 7.359 887 1HB ASP 38 HBS ASP 38 -5.051 -2.106 6.067 888 2HB ASP 38 HBR ASP 38 -4.667 -1.351 7.641 889 H ILE 39 HN ILE 39 -5.037 0.981 5.783 890 HA ILE 39 HA ILE 39 -4.583 2.647 8.067 891 HB ILE 39 HB ILE 39 -4.354 3.472 5.133 892 1HG1 ILE 39 HG1 ILE 39 -2.045 2.282 6.656 893 2HG1 ILE 39 HG1 ILE 39 -3.256 1.203 5.909 894 1HG2 ILE 39 HMG ILE 39 -2.856 4.367 7.605 895 2HG2 ILE 39 HMG ILE 39 -2.531 4.904 5.937 896 3HG2 ILE 39 HMG ILE 39 -4.089 5.296 6.712 897 1HD1 ILE 39 HMD ILE 39 -2.760 2.770 3.801 898 2HD1 ILE 39 HMD ILE 39 -1.204 2.958 4.653 899 3HD1 ILE 39 HMD ILE 39 -1.774 1.333 4.183 900 H ALA 40 HN ALA 40 -7.121 2.433 5.689 901 HA ALA 40 HA ALA 40 -8.059 5.171 5.845 902 1HB ALA 40 HMB ALA 40 -8.802 2.682 4.507 903 2HB ALA 40 HMB ALA 40 -10.209 3.598 5.107 904 3HB ALA 40 HMB ALA 40 -9.040 4.378 4.013 905 H SER 41 HN SER 41 -9.784 2.196 6.814 906 HA SER 41 HA SER 41 -11.508 3.515 8.541 907 1HB SER 41 HBS SER 41 -12.315 1.442 9.214 908 2HB SER 41 HBR SER 41 -11.700 1.165 7.560 909 HG SER 41 HG SER 41 -11.241 -0.215 9.727 910 H GLU 42 HN GLU 42 -8.231 2.671 9.052 911 HA GLU 42 HA GLU 42 -8.358 2.762 11.985 912 1HB GLU 42 HBR GLU 42 -6.272 2.483 9.853 913 2HB GLU 42 HBS GLU 42 -5.815 3.106 11.343 914 1HG GLU 42 HGS GLU 42 -5.691 1.168 12.330 915 2HG GLU 42 HGR GLU 42 -7.397 0.783 11.979 916 H ALA 43 HN ALA 43 -7.216 4.811 9.279 917 HA ALA 43 HA ALA 43 -6.487 7.085 10.937 918 1HB ALA 43 HMB ALA 43 -7.107 6.788 7.986 919 2HB ALA 43 HMB ALA 43 -6.538 8.287 8.765 920 3HB ALA 43 HMB ALA 43 -5.500 6.838 8.757 921 H ILE 44 HN ILE 44 -9.381 5.633 9.770 922 HA ILE 44 HA ILE 44 -10.975 8.031 10.169 923 HB ILE 44 HB ILE 44 -11.611 5.148 9.391 924 1HG1 ILE 44 HG1 ILE 44 -11.725 7.718 7.770 925 2HG1 ILE 44 HG1 ILE 44 -10.331 6.604 7.814 926 1HG2 ILE 44 HMG ILE 44 -13.455 6.953 10.496 927 2HG2 ILE 44 HMG ILE 44 -13.744 6.969 8.736 928 3HG2 ILE 44 HMG ILE 44 -13.788 5.428 9.633 929 1HD1 ILE 44 HMD ILE 44 -12.213 4.844 7.126 930 2HD1 ILE 44 HMD ILE 44 -12.980 6.317 6.476 931 3HD1 ILE 44 HMD ILE 44 -11.352 5.841 5.924 932 H LYS 45 HN LYS 45 -10.921 4.756 11.628 933 HA LYS 45 HA LYS 45 -12.318 5.447 13.992 934 1HB LYS 45 HBR LYS 45 -10.290 3.285 13.383 935 2HB LYS 45 HBS LYS 45 -11.074 3.467 14.979 936 1HG LYS 45 HGR LYS 45 -13.301 3.396 13.626 937 2HG LYS 45 HGS LYS 45 -12.297 2.694 12.326 938 1HD LYS 45 HDS LYS 45 -11.528 1.218 14.495 939 2HD LYS 45 HDR LYS 45 -13.198 1.543 14.869 940 1HE LYS 45 HES LYS 45 -12.920 0.771 12.097 941 2HE LYS 45 HER LYS 45 -12.220 -0.441 13.208 942 1HZ LYS 45 HZA LYS 45 -14.545 0.239 14.368 943 2HZ LYS 45 HZB LYS 45 -14.941 0.258 12.783 944 3HZ LYS 45 HZC LYS 45 -14.302 -1.090 13.449 945 H LEU 46 HN LEU 46 -9.251 6.436 12.921 946 HA LEU 46 HA LEU 46 -8.235 7.057 15.599 947 1HB LEU 46 HBR LEU 46 -7.361 7.332 12.762 948 2HB LEU 46 HBS LEU 46 -6.705 8.500 13.943 949 HG LEU 46 HG LEU 46 -6.543 5.579 14.561 950 1HD1 LEU 46 HMD LEU 46 -5.274 6.929 12.275 951 2HD1 LEU 46 HMD LEU 46 -4.126 6.132 13.380 952 3HD1 LEU 46 HMD LEU 46 -5.445 5.193 12.638 953 1HD2 LEU 46 HMD LEU 46 -5.430 8.151 15.406 954 2HD2 LEU 46 HMD LEU 46 -5.528 6.599 16.278 955 3HD2 LEU 46 HMD LEU 46 -4.183 6.904 15.150 956 H ALA 47 HN ALA 47 -9.667 8.792 12.823 957 HA ALA 47 HA ALA 47 -10.126 11.281 14.135 958 1HB ALA 47 HMB ALA 47 -11.117 9.853 11.747 959 2HB ALA 47 HMB ALA 47 -12.248 11.029 12.465 960 3HB ALA 47 HMB ALA 47 -10.620 11.551 11.964 961 H ARG 48 HN ARG 48 -11.411 8.132 14.606 962 HA ARG 48 HA ARG 48 -13.613 9.149 16.301 963 1HB ARG 48 HBR ARG 48 -14.064 7.154 14.973 964 2HB ARG 48 HBS ARG 48 -12.675 6.319 15.726 965 1HG ARG 48 HGS ARG 48 -13.762 6.102 17.784 966 2HG ARG 48 HGR ARG 48 -14.949 7.382 17.402 967 1HD ARG 48 HDS ARG 48 -15.914 5.937 15.673 968 2HD ARG 48 HDR ARG 48 -14.760 4.651 16.128 969 HE ARG 48 HE ARG 48 -17.178 5.414 17.536 970 1HH1 ARG 48 HH1 ARG 48 -14.108 3.687 17.681 971 2HH1 ARG 48 HH1 ARG 48 -14.515 2.867 19.152 972 1HH2 ARG 48 HH2 ARG 48 -17.622 4.421 19.524 973 2HH2 ARG 48 HH2 ARG 48 -16.504 3.281 20.195 974 H HIS 49 HN HIS 49 -10.452 7.541 16.467 975 HA HIS 49 HA HIS 49 -10.360 7.058 19.198 976 1HB HIS 49 HBS HIS 49 -8.605 6.482 17.301 977 2HB HIS 49 HBR HIS 49 -7.836 8.001 17.846 978 HD1 HIS 49 HD1 HIS 49 -7.178 8.042 20.515 979 HD2 HIS 49 HD2 HIS 49 -8.024 4.333 18.818 980 HE1 HIS 49 HE1 HIS 49 -6.119 6.325 22.003 981 HE2 HIS 49 HE2 HIS 49 -6.608 4.080 20.969 982 H ALA 50 HN ALA 50 -9.536 10.022 17.424 983 HA ALA 50 HA ALA 50 -8.935 11.665 19.713 984 1HB ALA 50 HMB ALA 50 -9.597 12.028 16.851 985 2HB ALA 50 HMB ALA 50 -10.043 13.371 17.936 986 3HB ALA 50 HMB ALA 50 -8.354 12.806 17.863 987 H GLY 51 HN GLY 51 -11.900 10.845 17.904 988 1HA GLY 51 HAR GLY 51 -13.966 10.559 19.049 989 2HA GLY 51 HAS GLY 51 -13.496 11.836 20.203 990 H ARG 52 HN ARG 52 -12.763 12.484 16.906 991 HA ARG 52 HA ARG 52 -15.021 13.723 15.940 992 1HB ARG 52 HBR ARG 52 -13.810 15.288 18.121 993 2HB ARG 52 HBS ARG 52 -14.017 16.191 16.592 994 1HG ARG 52 HGS ARG 52 -16.449 15.053 16.758 995 2HG ARG 52 HGR ARG 52 -16.049 15.134 18.498 996 1HD ARG 52 HDS ARG 52 -15.602 17.520 16.758 997 2HD ARG 52 HDR ARG 52 -17.255 17.114 17.300 998 HE ARG 52 HE ARG 52 -16.182 17.133 19.645 999 1HH1 ARG 52 HH1 ARG 52 -15.405 19.314 16.987 1000 2HH1 ARG 52 HH1 ARG 52 -14.706 20.509 18.029 1001 1HH2 ARG 52 HH2 ARG 52 -15.143 18.658 20.959 1002 2HH2 ARG 52 HH2 ARG 52 -14.559 20.139 20.277 1003 H LYS 53 HN LYS 53 -14.154 16.026 14.795 1004 HA LYS 53 HA LYS 53 -12.749 17.031 13.297 1005 1HB LYS 53 HBR LYS 53 -10.621 15.372 14.690 1006 2HB LYS 53 HBS LYS 53 -10.343 16.762 13.600 1007 1HG LYS 53 HGR LYS 53 -10.218 17.932 15.533 1008 2HG LYS 53 HGS LYS 53 -12.002 17.892 15.447 1009 1HD LYS 53 HDS LYS 53 -11.484 17.280 17.632 1010 2HD LYS 53 HDR LYS 53 -11.979 15.832 16.798 1011 1HE LYS 53 HES LYS 53 -9.767 15.010 16.628 1012 2HE LYS 53 HER LYS 53 -9.094 16.581 17.148 1013 1HZ LYS 53 HZC LYS 53 -10.753 14.814 18.812 1014 2HZ LYS 53 HZA LYS 53 -9.131 14.967 18.924 1015 3HZ LYS 53 HZB LYS 53 -10.097 16.234 19.282 1016 H THR 54 HN THR 54 -11.275 16.662 11.463 1017 HA THR 54 HA THR 54 -12.313 14.288 10.075 1018 HB THR 54 HB THR 54 -11.075 16.900 9.043 1019 HG1 THR 54 HG1 THR 54 -12.756 17.239 9.793 1020 1HG2 THR 54 HMG THR 54 -11.470 14.392 7.650 1021 2HG2 THR 54 HMG THR 54 -12.483 15.683 6.955 1022 3HG2 THR 54 HMG THR 54 -10.720 15.908 7.086 1023 H ILE 55 HN ILE 55 -11.054 12.999 8.711 1024 HA ILE 55 HA ILE 55 -8.303 12.491 9.512 1025 HB ILE 55 HB ILE 55 -10.004 11.440 7.198 1026 1HG1 ILE 55 HG1 ILE 55 -9.505 9.371 9.005 1027 2HG1 ILE 55 HG1 ILE 55 -9.787 10.796 10.046 1028 1HG2 ILE 55 HMG ILE 55 -7.200 10.796 8.044 1029 2HG2 ILE 55 HMG ILE 55 -8.233 9.542 7.307 1030 3HG2 ILE 55 HMG ILE 55 -7.874 11.042 6.412 1031 1HD1 ILE 55 HMD ILE 55 -11.922 11.190 8.815 1032 2HD1 ILE 55 HMD ILE 55 -11.651 9.657 7.945 1033 3HD1 ILE 55 HMD ILE 55 -11.872 9.651 9.715 1034 H LYS 56 HN LYS 56 -6.475 13.097 8.520 1035 HA LYS 56 HA LYS 56 -6.637 14.728 6.078 1036 1HB LYS 56 HBR LYS 56 -4.938 15.737 8.355 1037 2HB LYS 56 HBS LYS 56 -5.444 16.567 6.854 1038 1HG LYS 56 HGR LYS 56 -7.685 15.769 8.603 1039 2HG LYS 56 HGS LYS 56 -6.562 16.943 9.345 1040 1HD LYS 56 HDS LYS 56 -7.007 17.825 6.708 1041 2HD LYS 56 HDR LYS 56 -8.561 17.318 7.312 1042 1HE LYS 56 HES LYS 56 -7.152 18.850 9.319 1043 2HE LYS 56 HER LYS 56 -7.304 19.737 7.776 1044 1HZ LYS 56 HZA LYS 56 -9.679 18.385 8.590 1045 2HZ LYS 56 HZB LYS 56 -9.214 19.554 9.630 1046 3HZ LYS 56 HZC LYS 56 -9.478 19.917 8.059 1047 H ALA 57 HN ALA 57 -4.155 15.411 5.655 1048 HA ALA 57 HA ALA 57 -2.805 13.088 4.993 1049 1HB ALA 57 HMB ALA 57 -2.073 15.974 5.175 1050 2HB ALA 57 HMB ALA 57 -0.763 14.784 4.967 1051 3HB ALA 57 HMB ALA 57 -2.086 14.868 3.777 1052 H GLU 58 HN GLU 58 -2.587 15.021 7.932 1053 HA GLU 58 HA GLU 58 -0.346 13.705 9.051 1054 1HB GLU 58 HBR GLU 58 -1.094 14.756 11.098 1055 2HB GLU 58 HBS GLU 58 -1.072 15.779 9.768 1056 1HG GLU 58 HGS GLU 58 -3.562 15.274 9.425 1057 2HG GLU 58 HGR GLU 58 -3.578 14.736 11.126 1058 H ASP 59 HN ASP 59 -3.852 13.243 9.682 1059 HA ASP 59 HA ASP 59 -3.573 11.079 11.386 1060 1HB ASP 59 HBS ASP 59 -5.706 12.478 10.158 1061 2HB ASP 59 HBR ASP 59 -6.003 10.727 9.966 1062 H ILE 60 HN ILE 60 -3.283 11.181 7.942 1063 HA ILE 60 HA ILE 60 -3.761 8.371 7.411 1064 HB ILE 60 HB ILE 60 -2.435 10.649 5.878 1065 1HG1 ILE 60 HG1 ILE 60 -4.783 10.889 6.045 1066 2HG1 ILE 60 HG1 ILE 60 -4.431 10.312 4.391 1067 1HG2 ILE 60 HMG ILE 60 -1.502 8.248 5.393 1068 2HG2 ILE 60 HMG ILE 60 -3.043 8.057 4.517 1069 3HG2 ILE 60 HMG ILE 60 -1.915 9.360 4.062 1070 1HD1 ILE 60 HMD ILE 60 -4.946 7.961 5.340 1071 2HD1 ILE 60 HMD ILE 60 -5.713 8.843 6.689 1072 3HD1 ILE 60 HMD ILE 60 -6.305 9.073 5.022 1073 H GLU 61 HN GLU 61 -0.758 10.340 7.400 1074 HA GLU 61 HA GLU 61 1.008 8.061 7.461 1075 1HB GLU 61 HBR GLU 61 1.188 11.025 7.889 1076 2HB GLU 61 HBS GLU 61 2.431 10.045 8.445 1077 1HG GLU 61 HGS GLU 61 2.632 8.954 6.200 1078 2HG GLU 61 HGR GLU 61 1.594 10.237 5.521 1079 H LEU 62 HN LEU 62 -0.913 9.713 9.803 1080 HA LEU 62 HA LEU 62 0.441 8.770 12.164 1081 1HB LEU 62 HBR LEU 62 -2.044 10.130 11.393 1082 2HB LEU 62 HBS LEU 62 -2.228 9.036 12.793 1083 HG LEU 62 HG LEU 62 -0.632 10.257 14.064 1084 1HD1 LEU 62 HMD LEU 62 0.265 11.135 11.450 1085 2HD1 LEU 62 HMD LEU 62 -0.015 12.525 12.529 1086 3HD1 LEU 62 HMD LEU 62 1.093 11.221 13.026 1087 1HD2 LEU 62 HMD LEU 62 -3.054 11.194 13.290 1088 2HD2 LEU 62 HMD LEU 62 -2.014 11.998 14.493 1089 3HD2 LEU 62 HMD LEU 62 -2.015 12.556 12.801 1090 H ALA 63 HN ALA 63 -2.540 7.642 10.516 1091 HA ALA 63 HA ALA 63 -2.746 5.175 11.802 1092 1HB ALA 63 HMB ALA 63 -4.304 6.448 10.123 1093 2HB ALA 63 HMB ALA 63 -3.474 5.446 8.906 1094 3HB ALA 63 HMB ALA 63 -4.358 4.670 10.246 1095 H VAL 64 HN VAL 64 -0.719 6.168 9.097 1096 HA VAL 64 HA VAL 64 0.052 3.500 8.274 1097 HB VAL 64 HB VAL 64 1.076 6.287 7.753 1098 1HG1 VAL 64 HMG VAL 64 3.001 4.672 7.758 1099 2HG1 VAL 64 HMG VAL 64 2.197 3.807 6.427 1100 3HG1 VAL 64 HMG VAL 64 2.707 5.498 6.209 1101 1HG2 VAL 64 HMG VAL 64 -1.040 5.557 6.706 1102 2HG2 VAL 64 HMG VAL 64 0.244 5.957 5.538 1103 3HG2 VAL 64 HMG VAL 64 -0.148 4.254 5.881 1104 H ARG 65 HN ARG 65 2.126 6.056 9.660 1105 HA ARG 65 HA ARG 65 4.005 4.391 10.711 1106 1HB ARG 65 HBR ARG 65 3.153 7.176 11.333 1107 2HB ARG 65 HBS ARG 65 4.204 6.363 12.528 1108 1HG ARG 65 HGS ARG 65 5.020 6.230 9.661 1109 2HG ARG 65 HGR ARG 65 5.169 7.805 10.491 1110 1HD ARG 65 HDS ARG 65 6.216 6.191 12.362 1111 2HD ARG 65 HDR ARG 65 6.634 5.270 10.891 1112 HE ARG 65 HE ARG 65 7.498 7.680 10.172 1113 1HH1 ARG 65 HH1 ARG 65 7.666 6.318 13.420 1114 2HH1 ARG 65 HH1 ARG 65 9.215 7.019 13.750 1115 1HH2 ARG 65 HH2 ARG 65 9.581 8.469 10.592 1116 2HH2 ARG 65 HH2 ARG 65 10.299 8.236 12.152 1117 H ARG 66 HN ARG 66 0.830 4.839 11.909 1118 HA ARG 66 HA ARG 66 1.217 4.011 14.572 1119 1HB ARG 66 HBR ARG 66 -1.024 4.418 12.753 1120 2HB ARG 66 HBS ARG 66 -1.287 3.027 13.840 1121 1HG ARG 66 HGS ARG 66 -0.290 5.566 15.056 1122 2HG ARG 66 HGR ARG 66 -1.986 5.522 14.494 1123 1HD ARG 66 HDS ARG 66 -2.442 3.611 15.859 1124 2HD ARG 66 HDR ARG 66 -0.723 3.485 16.328 1125 HE ARG 66 HE ARG 66 -1.752 6.059 17.015 1126 1HH1 ARG 66 HH1 ARG 66 -2.218 2.689 17.944 1127 2HH1 ARG 66 HH1 ARG 66 -2.437 3.068 19.619 1128 1HH2 ARG 66 HH2 ARG 66 -1.917 6.502 19.232 1129 2HH2 ARG 66 HH2 ARG 66 -2.269 5.226 20.349 1130 H PHE 67 HN PHE 67 0.140 2.083 11.745 1131 HA PHE 67 HA PHE 67 0.292 -0.357 13.198 1132 1HB PHE 67 HBR PHE 67 0.370 -0.436 10.197 1133 2HB PHE 67 HBS PHE 67 -0.583 -1.410 11.355 1134 HD1 PHE 67 HD2 PHE 67 -2.029 0.680 12.910 1135 HD2 PHE 67 HD1 PHE 67 -1.065 0.481 8.764 1136 HE1 PHE 67 HE2 PHE 67 -3.858 2.270 12.413 1137 HE2 PHE 67 HE1 PHE 67 -2.866 2.067 8.250 1138 HZ PHE 67 HZ PHE 67 -4.329 2.881 10.059 1139 H LYS 68 HN LYS 68 2.373 1.085 10.685 1140 HA LYS 68 HA LYS 68 4.556 -0.795 11.361 1141 1HB LYS 68 HBR LYS 68 3.789 -0.526 8.480 1142 2HB LYS 68 HBS LYS 68 4.661 -1.834 9.327 1143 1HG LYS 68 HGR LYS 68 2.408 -2.350 10.468 1144 2HG LYS 68 HGS LYS 68 1.681 -1.308 9.212 1145 1HD LYS 68 HDS LYS 68 2.104 -2.755 7.523 1146 2HD LYS 68 HDR LYS 68 3.540 -3.392 8.277 1147 1HE LYS 68 HES LYS 68 0.789 -3.987 9.338 1148 2HE LYS 68 HER LYS 68 1.602 -4.967 8.086 1149 1HZ LYS 68 HZB LYS 68 3.481 -4.834 9.911 1150 2HZ LYS 68 HZC LYS 68 2.181 -4.741 10.895 1151 3HZ LYS 68 HZA LYS 68 2.354 -6.016 9.890 1152 H LYS 69 HN LYS 69 6.154 -0.351 9.203 1153 HA LYS 69 HA LYS 69 7.839 1.063 8.552 1154 1HB LYS 69 HBR LYS 69 5.652 2.133 7.562 1155 2HB LYS 69 HBS LYS 69 5.968 3.400 8.781 1156 1HG LYS 69 HGR LYS 69 8.144 2.515 6.881 1157 2HG LYS 69 HGS LYS 69 6.903 3.693 6.364 1158 1HD LYS 69 HDS LYS 69 7.675 4.708 8.782 1159 2HD LYS 69 HDR LYS 69 9.158 3.990 8.217 1160 1HE LYS 69 HES LYS 69 8.728 5.212 6.003 1161 2HE LYS 69 HER LYS 69 7.542 6.159 6.945 1162 1HZ LYS 69 HZC LYS 69 10.348 5.843 7.743 1163 2HZ LYS 69 HZA LYS 69 9.811 7.096 6.844 1164 3HZ LYS 69 HZB LYS 69 9.247 6.879 8.362 No H/Q in entry = 1164 Start of MODEL 17 Raw file had 1198 H/Q atoms Start of MODEL 17 1 1H MET 1 HNC MET 1 2.736 7.711 -10.867 2 2H MET 1 HNB MET 1 2.775 8.619 -12.224 3 3H MET 1 HN MET 1 4.163 8.036 -11.592 4 HA MET 1 HA MET 1 4.358 9.556 -10.038 5 1HB MET 1 HBS MET 1 2.948 10.612 -12.403 6 2HB MET 1 HBR MET 1 2.863 11.654 -10.954 7 1HG MET 1 HGS MET 1 5.334 11.571 -10.756 8 2HG MET 1 HGR MET 1 5.403 10.518 -12.191 9 1HE MET 1 HME MET 1 4.432 11.056 -14.372 10 2HE MET 1 HME MET 1 4.522 12.664 -15.136 11 3HE MET 1 HME MET 1 6.009 11.864 -14.566 12 H GLU 2 HN GLU 2 3.433 8.596 -8.242 13 HA GLU 2 HA GLU 2 2.047 8.446 -6.424 14 1HB GLU 2 HBR GLU 2 0.652 10.846 -7.624 15 2HB GLU 2 HBS GLU 2 0.427 10.201 -6.092 16 1HG GLU 2 HGS GLU 2 1.852 12.173 -5.971 17 2HG GLU 2 HGR GLU 2 2.685 10.742 -5.305 18 H LEU 3 HN LEU 3 0.241 7.329 -5.925 19 HA LEU 3 HA LEU 3 -1.400 6.201 -7.994 20 1HB LEU 3 HBS LEU 3 -2.175 6.243 -5.098 21 2HB LEU 3 HBR LEU 3 -2.302 4.930 -6.302 22 HG LEU 3 HG LEU 3 0.218 5.852 -4.897 23 1HD1 LEU 3 HMD LEU 3 -1.548 3.401 -4.649 24 2HD1 LEU 3 HMD LEU 3 0.108 3.497 -4.000 25 3HD1 LEU 3 HMD LEU 3 -1.152 4.598 -3.390 26 1HD2 LEU 3 HMD LEU 3 -0.373 4.042 -7.202 27 2HD2 LEU 3 HMD LEU 3 1.023 5.110 -6.910 28 3HD2 LEU 3 HMD LEU 3 0.896 3.553 -6.051 29 HA PRO 4 HA PRO 4 -4.668 9.114 -8.359 30 1HB PRO 4 HBR PRO 4 -6.619 7.361 -8.919 31 2HB PRO 4 HBS PRO 4 -5.653 8.081 -10.036 32 1HG PRO 4 HGR PRO 4 -5.574 5.435 -9.137 33 2HG PRO 4 HGS PRO 4 -4.949 6.092 -10.538 34 1HD PRO 4 HDS PRO 4 -3.518 5.389 -8.367 35 2HD PRO 4 HDR PRO 4 -2.966 6.307 -9.627 36 H ILE 5 HN ILE 5 -6.154 10.147 -7.214 37 HA ILE 5 HA ILE 5 -6.143 9.294 -4.459 38 HB ILE 5 HB ILE 5 -7.364 11.470 -4.091 39 1HG1 ILE 5 HG1 ILE 5 -7.056 11.824 -7.098 40 2HG1 ILE 5 HG1 ILE 5 -8.579 11.404 -6.266 41 1HG2 ILE 5 HMG ILE 5 -4.700 11.174 -5.257 42 2HG2 ILE 5 HMG ILE 5 -5.388 12.806 -5.461 43 3HG2 ILE 5 HMG ILE 5 -5.245 12.096 -3.831 44 1HD1 ILE 5 HMD ILE 5 -7.726 13.675 -4.931 45 2HD1 ILE 5 HMD ILE 5 -7.287 13.997 -6.630 46 3HD1 ILE 5 HMD ILE 5 -8.973 13.599 -6.204 47 H ALA 6 HN ALA 6 -8.418 9.212 -7.106 48 HA ALA 6 HA ALA 6 -10.845 9.170 -5.589 49 1HB ALA 6 HMB ALA 6 -10.190 9.333 -8.250 50 2HB ALA 6 HMB ALA 6 -10.839 7.679 -8.120 51 3HB ALA 6 HMB ALA 6 -11.827 9.068 -7.599 52 HA PRO 7 HA PRO 7 -10.590 4.382 -6.299 53 1HB PRO 7 HBR PRO 7 -8.054 3.526 -6.732 54 2HB PRO 7 HBS PRO 7 -9.276 3.517 -7.830 55 1HG PRO 7 HGR PRO 7 -7.100 5.259 -7.693 56 2HG PRO 7 HGS PRO 7 -8.116 4.940 -8.978 57 1HD PRO 7 HDS PRO 7 -8.168 7.176 -7.511 58 2HD PRO 7 HDR PRO 7 -9.392 6.664 -8.498 59 H ILE 8 HN ILE 8 -7.747 5.772 -4.895 60 HA ILE 8 HA ILE 8 -7.654 4.106 -2.579 61 HB ILE 8 HB ILE 8 -6.746 6.987 -3.048 62 1HG1 ILE 8 HG1 ILE 8 -5.311 4.311 -3.198 63 2HG1 ILE 8 HG1 ILE 8 -5.687 5.422 -4.546 64 1HG2 ILE 8 HMG ILE 8 -6.281 5.145 -0.709 65 2HG2 ILE 8 HMG ILE 8 -5.170 6.482 -1.110 66 3HG2 ILE 8 HMG ILE 8 -6.875 6.827 -0.717 67 1HD1 ILE 8 HMD ILE 8 -4.161 6.826 -2.559 68 2HD1 ILE 8 HMD ILE 8 -3.336 5.301 -2.975 69 3HD1 ILE 8 HMD ILE 8 -3.751 6.468 -4.258 70 H GLY 9 HN GLY 9 -9.328 7.163 -3.323 71 1HA GLY 9 HAS GLY 9 -10.426 7.694 -0.842 72 2HA GLY 9 HAR GLY 9 -11.190 8.152 -2.387 73 H ARG 10 HN ARG 10 -11.436 5.337 -3.256 74 HA ARG 10 HA ARG 10 -13.932 4.759 -1.882 75 1HB ARG 10 HBR ARG 10 -13.375 4.651 -4.436 76 2HB ARG 10 HBS ARG 10 -12.756 3.023 -4.038 77 1HG ARG 10 HGS ARG 10 -15.273 3.157 -2.816 78 2HG ARG 10 HGR ARG 10 -15.489 3.943 -4.406 79 1HD ARG 10 HDS ARG 10 -15.779 1.853 -5.124 80 2HD ARG 10 HDR ARG 10 -13.994 1.808 -5.101 81 HE ARG 10 HE ARG 10 -15.571 0.897 -2.752 82 1HH1 ARG 10 HH1 ARG 10 -13.446 0.129 -5.459 83 2HH1 ARG 10 HH1 ARG 10 -12.875 -1.337 -4.735 84 1HH2 ARG 10 HH2 ARG 10 -14.705 -0.961 -1.782 85 2HH2 ARG 10 HH2 ARG 10 -13.587 -1.955 -2.655 86 H ILE 11 HN ILE 11 -10.676 3.504 -1.961 87 HA ILE 11 HA ILE 11 -11.121 1.035 -0.562 88 HB ILE 11 HB ILE 11 -8.735 2.945 -0.645 89 1HG1 ILE 11 HG1 ILE 11 -9.396 0.398 -2.170 90 2HG1 ILE 11 HG1 ILE 11 -9.308 2.060 -2.818 91 1HG2 ILE 11 HMG ILE 11 -8.743 1.493 1.382 92 2HG2 ILE 11 HMG ILE 11 -8.725 0.073 0.302 93 3HG2 ILE 11 HMG ILE 11 -7.363 1.226 0.284 94 1HD1 ILE 11 HMD ILE 11 -6.848 2.016 -2.083 95 2HD1 ILE 11 HMD ILE 11 -7.063 0.253 -1.924 96 3HD1 ILE 11 HMD ILE 11 -7.311 1.042 -3.504 97 H ILE 12 HN ILE 12 -10.153 4.296 0.576 98 HA ILE 12 HA ILE 12 -10.236 3.587 3.355 99 HB ILE 12 HB ILE 12 -10.492 6.392 2.183 100 1HG1 ILE 12 HG1 ILE 12 -8.711 5.442 0.952 101 2HG1 ILE 12 HG1 ILE 12 -7.964 6.437 2.233 102 1HG2 ILE 12 HMG ILE 12 -10.348 5.470 4.817 103 2HG2 ILE 12 HMG ILE 12 -8.724 6.112 4.450 104 3HG2 ILE 12 HMG ILE 12 -10.163 7.146 4.234 105 1HD1 ILE 12 HMD ILE 12 -8.316 3.434 2.421 106 2HD1 ILE 12 HMD ILE 12 -6.845 4.234 1.807 107 3HD1 ILE 12 HMD ILE 12 -7.364 4.495 3.493 108 H LYS 13 HN LYS 13 -12.541 4.999 1.068 109 HA LYS 13 HA LYS 13 -14.717 5.419 2.861 110 1HB LYS 13 HBR LYS 13 -14.417 4.926 -0.078 111 2HB LYS 13 HBS LYS 13 -16.028 4.720 0.668 112 1HG LYS 13 HGR LYS 13 -15.277 7.135 1.708 113 2HG LYS 13 HGS LYS 13 -14.478 7.186 0.111 114 1HD LYS 13 HDS LYS 13 -17.357 6.388 0.333 115 2HD LYS 13 HDR LYS 13 -16.906 8.066 0.454 116 1HE LYS 13 HES LYS 13 -16.313 8.258 -1.715 117 2HE LYS 13 HER LYS 13 -15.732 6.570 -1.802 118 1HZ LYS 13 HZC LYS 13 -18.301 6.186 -1.462 119 2HZ LYS 13 HZA LYS 13 -18.378 7.621 -2.238 120 3HZ LYS 13 HZB LYS 13 -17.625 6.352 -2.940 121 H ASP 14 HN ASP 14 -13.618 2.581 0.994 122 HA ASP 14 HA ASP 14 -15.655 0.901 1.594 123 1HB ASP 14 HBS ASP 14 -13.844 0.502 -0.036 124 2HB ASP 14 HBR ASP 14 -12.784 0.027 1.322 125 H ALA 15 HN ALA 15 -12.796 1.524 3.571 126 HA ALA 15 HA ALA 15 -13.420 -0.055 5.817 127 1HB ALA 15 HMB ALA 15 -11.515 1.799 5.160 128 2HB ALA 15 HMB ALA 15 -12.458 2.655 6.407 129 3HB ALA 15 HMB ALA 15 -11.738 1.065 6.769 130 H GLY 16 HN GLY 16 -14.540 3.195 4.880 131 1HA GLY 16 HAR GLY 16 -16.947 3.491 5.516 132 2HA GLY 16 HAS GLY 16 -16.431 3.201 7.198 133 H ALA 17 HN ALA 17 -14.082 4.865 5.363 134 HA ALA 17 HA ALA 17 -14.476 7.481 6.471 135 1HB ALA 17 HMB ALA 17 -12.635 6.155 4.757 136 2HB ALA 17 HMB ALA 17 -13.232 7.602 3.905 137 3HB ALA 17 HMB ALA 17 -12.498 7.759 5.522 138 H GLU 18 HN GLU 18 -14.869 9.379 4.966 139 HA GLU 18 HA GLU 18 -16.123 9.048 2.477 140 1HB GLU 18 HBR GLU 18 -18.381 9.921 3.090 141 2HB GLU 18 HBS GLU 18 -18.022 8.316 3.419 142 1HG GLU 18 HGS GLU 18 -17.242 9.455 5.777 143 2HG GLU 18 HGR GLU 18 -18.710 10.399 5.409 144 H ARG 19 HN ARG 19 -16.502 11.192 5.335 145 HA ARG 19 HA ARG 19 -15.977 13.609 3.803 146 1HB ARG 19 HBR ARG 19 -15.677 13.493 6.780 147 2HB ARG 19 HBS ARG 19 -16.347 14.777 5.733 148 1HG ARG 19 HGS ARG 19 -18.437 13.996 5.926 149 2HG ARG 19 HGR ARG 19 -17.923 12.302 5.688 150 1HD ARG 19 HDS ARG 19 -18.004 11.891 7.852 151 2HD ARG 19 HDR ARG 19 -17.016 13.332 8.227 152 HE ARG 19 HE ARG 19 -19.386 14.483 7.795 153 1HH1 ARG 19 HH1 ARG 19 -18.829 11.388 9.388 154 2HH1 ARG 19 HH1 ARG 19 -20.087 11.637 10.553 155 1HH2 ARG 19 HH2 ARG 19 -20.935 14.830 9.412 156 2HH2 ARG 19 HH2 ARG 19 -21.280 13.584 10.566 157 H VAL 20 HN VAL 20 -14.009 13.055 2.790 158 HA VAL 20 HA VAL 20 -11.653 13.029 4.605 159 HB VAL 20 HB VAL 20 -11.978 11.412 2.070 160 1HG1 VAL 20 HMG VAL 20 -9.741 11.863 3.951 161 2HG1 VAL 20 HMG VAL 20 -10.023 10.173 3.468 162 3HG1 VAL 20 HMG VAL 20 -9.734 11.417 2.228 163 1HG2 VAL 20 HMG VAL 20 -13.136 10.914 4.598 164 2HG2 VAL 20 HMG VAL 20 -13.062 9.840 3.180 165 3HG2 VAL 20 HMG VAL 20 -11.779 9.776 4.412 166 H SER 21 HN SER 21 -9.984 14.272 4.101 167 HA SER 21 HA SER 21 -10.335 16.226 2.009 168 1HB SER 21 HBS SER 21 -8.404 17.300 2.899 169 2HB SER 21 HBR SER 21 -9.422 16.752 4.261 170 HG SER 21 HG SER 21 -7.321 16.353 4.776 171 H ASP 22 HN ASP 22 -8.924 16.711 0.320 172 HA ASP 22 HA ASP 22 -8.023 14.560 -1.182 173 1HB ASP 22 HBR ASP 22 -8.562 17.024 -1.821 174 2HB ASP 22 HBS ASP 22 -6.800 17.246 -1.622 175 H ASP 23 HN ASP 23 -6.466 16.177 1.418 176 HA ASP 23 HA ASP 23 -3.803 15.393 0.542 177 1HB ASP 23 HBS ASP 23 -4.847 17.502 2.048 178 2HB ASP 23 HBR ASP 23 -3.846 16.542 3.175 179 H ALA 24 HN ALA 24 -6.239 14.306 2.769 180 HA ALA 24 HA ALA 24 -4.646 12.351 4.184 181 1HB ALA 24 HMB ALA 24 -7.591 12.496 3.491 182 2HB ALA 24 HMB ALA 24 -6.847 11.256 4.531 183 3HB ALA 24 HMB ALA 24 -6.811 12.968 5.022 184 H ARG 25 HN ARG 25 -6.579 12.398 1.184 185 HA ARG 25 HA ARG 25 -6.234 9.725 0.465 186 1HB ARG 25 HBS ARG 25 -6.279 11.907 -1.612 187 2HB ARG 25 HBR ARG 25 -7.008 10.277 -1.654 188 1HG ARG 25 HGS ARG 25 -8.252 11.576 0.497 189 2HG ARG 25 HGR ARG 25 -8.147 12.808 -0.793 190 1HD ARG 25 HDS ARG 25 -9.678 11.794 -2.028 191 2HD ARG 25 HDR ARG 25 -8.931 10.190 -1.788 192 HE ARG 25 HE ARG 25 -11.193 11.280 -0.370 193 1HH1 ARG 25 HH1 ARG 25 -8.316 9.316 0.174 194 2HH1 ARG 25 HH1 ARG 25 -9.101 8.290 1.326 195 1HH2 ARG 25 HH2 ARG 25 -12.221 9.839 1.045 196 2HH2 ARG 25 HH2 ARG 25 -11.311 8.586 1.821 197 H ILE 26 HN ILE 26 -4.334 12.556 -0.646 198 HA ILE 26 HA ILE 26 -2.531 11.122 -2.203 199 HB ILE 26 HB ILE 26 -2.937 13.648 -2.121 200 1HG1 ILE 26 HG1 ILE 26 0.022 13.181 -2.148 201 2HG1 ILE 26 HG1 ILE 26 -0.992 12.164 -3.211 202 1HG2 ILE 26 HMG ILE 26 -0.906 13.506 0.116 203 2HG2 ILE 26 HMG ILE 26 -1.366 14.988 -0.763 204 3HG2 ILE 26 HMG ILE 26 -2.580 14.115 0.210 205 1HD1 ILE 26 HMD ILE 26 -1.654 15.014 -3.367 206 2HD1 ILE 26 HMD ILE 26 0.030 14.650 -3.830 207 3HD1 ILE 26 HMD ILE 26 -1.321 13.834 -4.663 208 H THR 27 HN THR 27 -2.464 11.810 1.259 209 HA THR 27 HA THR 27 0.305 11.238 1.702 210 HB THR 27 HB THR 27 -2.097 11.218 3.613 211 HG1 THR 27 HG1 THR 27 -1.843 12.924 2.851 212 1HG2 THR 27 HMG THR 27 0.857 11.100 4.278 213 2HG2 THR 27 HMG THR 27 -0.453 11.411 5.445 214 3HG2 THR 27 HMG THR 27 -0.363 9.843 4.603 215 H LEU 28 HN LEU 28 -2.586 9.321 2.613 216 HA LEU 28 HA LEU 28 -1.271 6.878 2.958 217 1HB LEU 28 HBS LEU 28 -3.682 7.762 3.470 218 2HB LEU 28 HBR LEU 28 -4.070 7.055 1.877 219 HG LEU 28 HG LEU 28 -3.563 4.864 2.622 220 1HD1 LEU 28 HMD LEU 28 -1.574 5.428 3.979 221 2HD1 LEU 28 HMD LEU 28 -2.642 6.104 5.235 222 3HD1 LEU 28 HMD LEU 28 -2.712 4.366 4.847 223 1HD2 LEU 28 HMD LEU 28 -5.454 6.592 3.918 224 2HD2 LEU 28 HMD LEU 28 -5.596 4.860 3.525 225 3HD2 LEU 28 HMD LEU 28 -4.892 5.365 5.081 226 H ALA 29 HN ALA 29 -1.905 8.618 0.075 227 HA ALA 29 HA ALA 29 -1.520 6.388 -1.717 228 1HB ALA 29 HMB ALA 29 -2.564 8.794 -2.059 229 2HB ALA 29 HMB ALA 29 -0.889 9.194 -2.521 230 3HB ALA 29 HMB ALA 29 -1.770 7.911 -3.388 231 H LYS 30 HN LYS 30 0.555 9.218 -0.955 232 HA LYS 30 HA LYS 30 2.906 8.202 -2.122 233 1HB LYS 30 HBR LYS 30 2.157 10.460 -0.498 234 2HB LYS 30 HBS LYS 30 3.677 9.751 0.118 235 1HG LYS 30 HGR LYS 30 4.397 9.794 -2.406 236 2HG LYS 30 HGS LYS 30 3.092 11.003 -2.562 237 1HD LYS 30 HDS LYS 30 4.622 12.498 -2.024 238 2HD LYS 30 HDR LYS 30 4.335 11.953 -0.393 239 1HE LYS 30 HES LYS 30 6.197 10.325 -0.623 240 2HE LYS 30 HER LYS 30 6.535 11.039 -2.226 241 1HZ LYS 30 HZC LYS 30 6.571 12.495 0.328 242 2HZ LYS 30 HZA LYS 30 7.889 12.003 -0.501 243 3HZ LYS 30 HZB LYS 30 6.898 13.134 -1.139 244 H ILE 31 HN ILE 31 1.310 7.414 0.844 245 HA ILE 31 HA ILE 31 3.544 6.216 2.256 246 HB ILE 31 HB ILE 31 0.508 5.947 2.425 247 1HG1 ILE 31 HG1 ILE 31 2.441 7.167 4.422 248 2HG1 ILE 31 HG1 ILE 31 1.714 8.088 3.076 249 1HG2 ILE 31 HMG ILE 31 2.560 4.659 4.239 250 2HG2 ILE 31 HMG ILE 31 0.806 4.750 4.548 251 3HG2 ILE 31 HMG ILE 31 1.418 3.827 3.150 252 1HD1 ILE 31 HMD ILE 31 -0.096 6.574 4.916 253 2HD1 ILE 31 HMD ILE 31 0.646 8.089 5.496 254 3HD1 ILE 31 HMD ILE 31 -0.371 8.098 4.030 255 H LEU 32 HN LEU 32 0.675 4.584 0.920 256 HA LEU 32 HA LEU 32 1.840 2.108 0.946 257 1HB LEU 32 HBS LEU 32 -0.528 3.364 -0.360 258 2HB LEU 32 HBR LEU 32 -0.080 1.712 -0.873 259 HG LEU 32 HG LEU 32 -0.175 1.089 1.595 260 1HD1 LEU 32 HMD LEU 32 -0.300 3.681 2.134 261 2HD1 LEU 32 HMD LEU 32 -2.045 3.409 1.891 262 3HD1 LEU 32 HMD LEU 32 -1.162 2.482 3.131 263 1HD2 LEU 32 HMD LEU 32 -2.589 1.959 -0.016 264 2HD2 LEU 32 HMD LEU 32 -1.829 0.349 0.043 265 3HD2 LEU 32 HMD LEU 32 -2.696 0.977 1.467 266 H GLU 33 HN GLU 33 1.659 4.360 -1.799 267 HA GLU 33 HA GLU 33 2.742 2.669 -3.741 268 1HB GLU 33 HBR GLU 33 1.593 4.867 -4.003 269 2HB GLU 33 HBS GLU 33 2.937 5.624 -3.339 270 1HG GLU 33 HGS GLU 33 4.306 4.424 -5.227 271 2HG GLU 33 HGR GLU 33 2.758 4.456 -6.114 272 H GLU 34 HN GLU 34 4.408 5.055 -1.649 273 HA GLU 34 HA GLU 34 7.019 4.590 -2.489 274 1HB GLU 34 HBR GLU 34 5.742 5.413 0.104 275 2HB GLU 34 HBS GLU 34 7.387 5.087 0.056 276 1HG GLU 34 HGS GLU 34 7.527 6.636 -2.006 277 2HG GLU 34 HGR GLU 34 6.005 7.352 -1.408 278 H MET 35 HN MET 35 5.138 2.904 0.037 279 HA MET 35 HA MET 35 7.089 0.967 0.736 280 1HB MET 35 HBS MET 35 4.079 0.614 0.676 281 2HB MET 35 HBR MET 35 5.257 -0.323 1.627 282 1HG MET 35 HGS MET 35 5.027 2.701 1.917 283 2HG MET 35 HGR MET 35 3.941 1.603 2.799 284 1HE MET 35 HME MET 35 4.922 -0.570 3.893 285 2HE MET 35 HME MET 35 6.215 -0.411 5.109 286 3HE MET 35 HME MET 35 4.753 0.602 5.224 287 H GLY 36 HN GLY 36 4.665 1.098 -1.853 288 1HA GLY 36 HAR GLY 36 4.701 -1.621 -2.529 289 2HA GLY 36 HAS GLY 36 4.175 -0.303 -3.610 290 H ARG 37 HN ARG 37 6.474 1.121 -3.998 291 HA ARG 37 HA ARG 37 8.129 -0.418 -5.760 292 1HB ARG 37 HBR ARG 37 8.151 2.327 -4.606 293 2HB ARG 37 HBS ARG 37 9.720 1.655 -5.137 294 1HG ARG 37 HGS ARG 37 9.242 2.053 -7.275 295 2HG ARG 37 HGR ARG 37 7.679 1.198 -7.143 296 1HD ARG 37 HDS ARG 37 7.614 3.633 -7.823 297 2HD ARG 37 HDR ARG 37 6.553 3.132 -6.477 298 HE ARG 37 HE ARG 37 8.658 4.000 -5.098 299 1HH1 ARG 37 HH1 ARG 37 6.846 5.463 -7.744 300 2HH1 ARG 37 HH1 ARG 37 7.368 7.069 -7.357 301 1HH2 ARG 37 HH2 ARG 37 9.420 6.096 -4.702 302 2HH2 ARG 37 HH2 ARG 37 8.822 7.428 -5.634 303 H ASP 38 HN ASP 38 8.313 0.515 -2.346 304 HA ASP 38 HA ASP 38 10.938 -0.292 -1.912 305 1HB ASP 38 HBS ASP 38 8.827 0.745 -0.370 306 2HB ASP 38 HBR ASP 38 9.439 -0.702 0.483 307 H ILE 39 HN ILE 39 7.957 -2.159 -1.283 308 HA ILE 39 HA ILE 39 9.255 -4.484 -0.424 309 HB ILE 39 HB ILE 39 6.545 -4.268 -1.828 310 1HG1 ILE 39 HG1 ILE 39 6.891 -4.245 1.163 311 2HG1 ILE 39 HG1 ILE 39 7.188 -2.748 0.234 312 1HG2 ILE 39 HMG ILE 39 7.600 -6.584 -1.417 313 2HG2 ILE 39 HMG ILE 39 7.250 -6.267 0.303 314 3HG2 ILE 39 HMG ILE 39 5.922 -6.296 -0.886 315 1HD1 ILE 39 HMD ILE 39 4.630 -4.297 -0.125 316 2HD1 ILE 39 HMD ILE 39 4.837 -3.173 1.245 317 3HD1 ILE 39 HMD ILE 39 4.966 -2.572 -0.431 318 H ALA 40 HN ALA 40 8.384 -3.412 -3.682 319 HA ALA 40 HA ALA 40 8.692 -5.873 -4.987 320 1HB ALA 40 HMB ALA 40 8.159 -3.170 -5.683 321 2HB ALA 40 HMB ALA 40 9.457 -3.763 -6.749 322 3HB ALA 40 HMB ALA 40 7.914 -4.648 -6.647 323 H SER 41 HN SER 41 11.034 -3.190 -4.624 324 HA SER 41 HA SER 41 13.166 -4.508 -6.046 325 1HB SER 41 HBR SER 41 12.792 -1.962 -5.313 326 2HB SER 41 HBS SER 41 13.794 -2.512 -3.938 327 HG SER 41 HG SER 41 14.396 -1.915 -6.565 328 H GLU 42 HN GLU 42 12.099 -4.324 -2.677 329 HA GLU 42 HA GLU 42 14.125 -5.921 -1.485 330 1HB GLU 42 HBR GLU 42 11.268 -5.216 -0.985 331 2HB GLU 42 HBS GLU 42 11.859 -6.596 -0.234 332 1HG GLU 42 HGS GLU 42 12.031 -4.347 1.036 333 2HG GLU 42 HGR GLU 42 13.366 -5.519 1.197 334 H ALA 43 HN ALA 43 11.063 -6.751 -3.129 335 HA ALA 43 HA ALA 43 11.483 -9.567 -2.936 336 1HB ALA 43 HMB ALA 43 9.390 -7.907 -3.574 337 2HB ALA 43 HMB ALA 43 9.779 -8.661 -5.140 338 3HB ALA 43 HMB ALA 43 9.407 -9.682 -3.728 339 H ILE 44 HN ILE 44 12.769 -7.159 -5.012 340 HA ILE 44 HA ILE 44 12.984 -8.827 -7.307 341 HB ILE 44 HB ILE 44 12.968 -6.130 -6.800 342 1HG1 ILE 44 HG1 ILE 44 13.993 -6.590 -9.463 343 2HG1 ILE 44 HG1 ILE 44 12.900 -7.919 -8.981 344 1HG2 ILE 44 HMG ILE 44 15.335 -5.966 -6.221 345 2HG2 ILE 44 HMG ILE 44 15.774 -6.630 -7.817 346 3HG2 ILE 44 HMG ILE 44 14.923 -5.068 -7.705 347 1HD1 ILE 44 HMD ILE 44 11.431 -5.825 -8.158 348 2HD1 ILE 44 HMD ILE 44 12.324 -5.046 -9.492 349 3HD1 ILE 44 HMD ILE 44 11.333 -6.495 -9.808 350 H LYS 45 HN LYS 45 15.554 -7.441 -5.214 351 HA LYS 45 HA LYS 45 17.623 -9.244 -5.986 352 1HB LYS 45 HBS LYS 45 17.093 -7.727 -3.416 353 2HB LYS 45 HBR LYS 45 18.529 -8.760 -3.674 354 1HG LYS 45 HGR LYS 45 19.432 -6.758 -4.302 355 2HG LYS 45 HGS LYS 45 18.729 -7.236 -5.874 356 1HD LYS 45 HDS LYS 45 17.114 -5.677 -5.820 357 2HD LYS 45 HDR LYS 45 16.914 -5.783 -4.092 358 1HE LYS 45 HES LYS 45 19.502 -4.666 -4.771 359 2HE LYS 45 HER LYS 45 18.144 -3.748 -5.482 360 1HZ LYS 45 HZB LYS 45 17.168 -3.704 -3.263 361 2HZ LYS 45 HZC LYS 45 18.493 -4.432 -2.645 362 3HZ LYS 45 HZA LYS 45 18.614 -2.946 -3.312 363 H LEU 46 HN LEU 46 14.989 -9.432 -3.620 364 HA LEU 46 HA LEU 46 15.548 -11.938 -2.499 365 1HB LEU 46 HBR LEU 46 13.147 -10.246 -3.014 366 2HB LEU 46 HBS LEU 46 12.879 -11.952 -2.554 367 HG LEU 46 HG LEU 46 14.574 -10.067 -0.911 368 1HD1 LEU 46 HMD LEU 46 11.657 -10.196 -1.227 369 2HD1 LEU 46 HMD LEU 46 12.207 -10.418 0.453 370 3HD1 LEU 46 HMD LEU 46 12.676 -8.957 -0.453 371 1HD2 LEU 46 HMD LEU 46 13.785 -12.859 -0.864 372 2HD2 LEU 46 HMD LEU 46 14.976 -11.994 0.141 373 3HD2 LEU 46 HMD LEU 46 13.259 -12.016 0.616 374 H ALA 47 HN ALA 47 13.825 -11.122 -5.516 375 HA ALA 47 HA ALA 47 13.060 -13.759 -6.143 376 1HB ALA 47 HMB ALA 47 13.492 -11.328 -7.896 377 2HB ALA 47 HMB ALA 47 12.738 -12.848 -8.443 378 3HB ALA 47 HMB ALA 47 11.971 -11.886 -7.153 379 H ARG 48 HN ARG 48 16.045 -12.005 -6.680 380 HA ARG 48 HA ARG 48 17.361 -13.848 -8.413 381 1HB ARG 48 HBS ARG 48 18.057 -11.484 -7.279 382 2HB ARG 48 HBR ARG 48 18.946 -12.623 -6.227 383 1HG ARG 48 HGS ARG 48 20.527 -12.892 -7.769 384 2HG ARG 48 HGR ARG 48 19.314 -13.347 -8.998 385 1HD ARG 48 HDS ARG 48 20.537 -11.450 -9.772 386 2HD ARG 48 HDR ARG 48 18.868 -10.950 -9.377 387 HE ARG 48 HE ARG 48 20.490 -10.506 -7.107 388 1HH1 ARG 48 HH1 ARG 48 20.403 -9.374 -10.444 389 2HH1 ARG 48 HH1 ARG 48 20.860 -7.758 -10.023 390 1HH2 ARG 48 HH2 ARG 48 20.960 -8.352 -6.581 391 2HH2 ARG 48 HH2 ARG 48 21.177 -7.179 -7.836 392 H HIS 49 HN HIS 49 17.635 -13.512 -4.851 393 HA HIS 49 HA HIS 49 18.798 -16.058 -4.417 394 1HB HIS 49 HBS HIS 49 17.573 -13.976 -2.685 395 2HB HIS 49 HBR HIS 49 17.470 -15.650 -2.064 396 HD1 HIS 49 HD1 HIS 49 19.387 -15.937 -0.426 397 HD2 HIS 49 HD2 HIS 49 20.517 -13.888 -3.873 398 HE1 HIS 49 HE1 HIS 49 21.879 -15.685 -0.315 399 HE2 HIS 49 HE2 HIS 49 22.570 -14.469 -2.411 400 H ALA 50 HN ALA 50 15.616 -15.153 -5.271 401 HA ALA 50 HA ALA 50 14.283 -17.427 -4.164 402 1HB ALA 50 HMB ALA 50 13.401 -15.096 -4.970 403 2HB ALA 50 HMB ALA 50 13.275 -15.912 -6.550 404 3HB ALA 50 HMB ALA 50 12.385 -16.550 -5.143 405 H GLY 51 HN GLY 51 15.520 -16.647 -7.411 406 1HA GLY 51 HAR GLY 51 16.079 -18.879 -8.559 407 2HA GLY 51 HAS GLY 51 14.317 -19.146 -8.525 408 H ARG 52 HN ARG 52 14.768 -15.862 -8.839 409 HA ARG 52 HA ARG 52 15.439 -14.341 -10.405 410 1HB ARG 52 HBS ARG 52 16.531 -16.760 -11.881 411 2HB ARG 52 HBR ARG 52 16.728 -15.059 -12.390 412 1HG ARG 52 HGS ARG 52 18.738 -15.612 -11.309 413 2HG ARG 52 HGR ARG 52 17.812 -14.667 -10.109 414 1HD ARG 52 HDS ARG 52 18.842 -16.578 -9.065 415 2HD ARG 52 HDR ARG 52 17.065 -16.749 -9.067 416 HE ARG 52 HE ARG 52 17.274 -18.414 -10.799 417 1HH1 ARG 52 HH1 ARG 52 20.401 -17.257 -9.654 418 2HH1 ARG 52 HH1 ARG 52 21.219 -18.726 -10.069 419 1HH2 ARG 52 HH2 ARG 52 18.349 -20.370 -11.199 420 2HH2 ARG 52 HH2 ARG 52 20.058 -20.489 -10.940 421 H LYS 53 HN LYS 53 14.274 -17.270 -12.136 422 HA LYS 53 HA LYS 53 13.771 -16.036 -14.465 423 1HB LYS 53 HBS LYS 53 11.927 -18.241 -13.527 424 2HB LYS 53 HBR LYS 53 12.523 -17.898 -15.175 425 1HG LYS 53 HGR LYS 53 14.217 -19.322 -14.865 426 2HG LYS 53 HGS LYS 53 14.791 -18.349 -13.481 427 1HD LYS 53 HDS LYS 53 14.049 -19.788 -11.974 428 2HD LYS 53 HDR LYS 53 12.510 -19.962 -12.771 429 1HE LYS 53 HES LYS 53 15.045 -21.415 -13.513 430 2HE LYS 53 HER LYS 53 13.626 -22.082 -12.657 431 1HZ LYS 53 HZA LYS 53 12.605 -21.005 -14.902 432 2HZ LYS 53 HZB LYS 53 14.010 -21.646 -15.433 433 3HZ LYS 53 HZC LYS 53 12.919 -22.591 -14.668 434 H THR 54 HN THR 54 11.771 -15.821 -11.648 435 HA THR 54 HA THR 54 10.333 -13.670 -12.874 436 HB THR 54 HB THR 54 8.374 -15.667 -11.731 437 HG1 THR 54 HG1 THR 54 8.504 -16.859 -13.073 438 1HG2 THR 54 HMG THR 54 8.189 -13.700 -14.029 439 2HG2 THR 54 HMG THR 54 6.862 -14.717 -13.411 440 3HG2 THR 54 HMG THR 54 7.575 -13.456 -12.373 441 H ILE 55 HN ILE 55 9.275 -12.361 -11.352 442 HA ILE 55 HA ILE 55 9.878 -12.745 -8.506 443 HB ILE 55 HB ILE 55 7.966 -10.748 -9.802 444 1HG1 ILE 55 HG1 ILE 55 10.313 -10.785 -10.791 445 2HG1 ILE 55 HG1 ILE 55 9.713 -9.220 -10.172 446 1HG2 ILE 55 HMG ILE 55 7.761 -10.978 -7.373 447 2HG2 ILE 55 HMG ILE 55 9.495 -10.599 -7.195 448 3HG2 ILE 55 HMG ILE 55 8.377 -9.373 -7.848 449 1HD1 ILE 55 HMD ILE 55 11.113 -10.590 -8.073 450 2HD1 ILE 55 HMD ILE 55 12.129 -10.553 -9.537 451 3HD1 ILE 55 HMD ILE 55 11.491 -9.034 -8.857 452 H LYS 56 HN LYS 56 8.287 -13.125 -6.935 453 HA LYS 56 HA LYS 56 5.775 -14.409 -7.819 454 1HB LYS 56 HBS LYS 56 7.589 -16.010 -6.055 455 2HB LYS 56 HBR LYS 56 6.284 -16.536 -7.156 456 1HG LYS 56 HGR LYS 56 7.673 -16.366 -9.062 457 2HG LYS 56 HGS LYS 56 8.891 -15.388 -8.193 458 1HD LYS 56 HDS LYS 56 10.038 -17.204 -7.778 459 2HD LYS 56 HDR LYS 56 8.743 -17.722 -6.733 460 1HE LYS 56 HES LYS 56 7.941 -18.349 -9.373 461 2HE LYS 56 HER LYS 56 9.633 -18.879 -9.161 462 1HZ LYS 56 HZA LYS 56 7.621 -19.488 -7.137 463 2HZ LYS 56 HZB LYS 56 7.763 -20.429 -8.464 464 3HZ LYS 56 HZC LYS 56 9.030 -20.253 -7.448 465 H ALA 57 HN ALA 57 4.394 -14.971 -6.066 466 HA ALA 57 HA ALA 57 4.234 -12.822 -4.248 467 1HB ALA 57 HMB ALA 57 2.328 -14.103 -5.207 468 2HB ALA 57 HMB ALA 57 2.738 -15.453 -4.119 469 3HB ALA 57 HMB ALA 57 2.242 -13.882 -3.440 470 H GLU 58 HN GLU 58 5.827 -15.867 -4.028 471 HA GLU 58 HA GLU 58 6.172 -15.910 -1.124 472 1HB GLU 58 HBR GLU 58 7.580 -17.149 -3.493 473 2HB GLU 58 HBS GLU 58 8.173 -17.257 -1.927 474 1HG GLU 58 HGS GLU 58 6.154 -18.295 -1.062 475 2HG GLU 58 HGR GLU 58 5.417 -18.327 -2.687 476 H ASP 59 HN ASP 59 7.910 -14.718 -4.005 477 HA ASP 59 HA ASP 59 10.020 -13.433 -2.661 478 1HB ASP 59 HBR ASP 59 8.810 -12.336 -5.177 479 2HB ASP 59 HBS ASP 59 10.511 -12.338 -4.626 480 H ILE 60 HN ILE 60 6.738 -12.322 -3.415 481 HA ILE 60 HA ILE 60 7.117 -9.616 -2.470 482 HB ILE 60 HB ILE 60 4.537 -11.239 -2.711 483 1HG1 ILE 60 HG1 ILE 60 5.588 -11.392 -4.824 484 2HG1 ILE 60 HG1 ILE 60 4.343 -10.121 -4.972 485 1HG2 ILE 60 HMG ILE 60 5.060 -8.267 -2.582 486 2HG2 ILE 60 HMG ILE 60 3.513 -8.983 -3.109 487 3HG2 ILE 60 HMG ILE 60 4.115 -9.275 -1.455 488 1HD1 ILE 60 HMD ILE 60 6.417 -8.555 -4.383 489 2HD1 ILE 60 HMD ILE 60 7.316 -9.922 -5.095 490 3HD1 ILE 60 HMD ILE 60 6.060 -9.086 -6.048 491 H GLU 61 HN GLU 61 5.954 -12.676 -1.079 492 HA GLU 61 HA GLU 61 4.976 -11.465 1.349 493 1HB GLU 61 HBR GLU 61 5.447 -14.228 0.277 494 2HB GLU 61 HBS GLU 61 5.245 -14.019 1.930 495 1HG GLU 61 HGS GLU 61 3.070 -13.832 1.863 496 2HG GLU 61 HGR GLU 61 3.113 -12.509 0.666 497 H LEU 62 HN LEU 62 7.931 -13.184 0.373 498 HA LEU 62 HA LEU 62 9.290 -13.021 2.900 499 1HB LEU 62 HBS LEU 62 9.909 -13.569 0.046 500 2HB LEU 62 HBR LEU 62 11.262 -13.003 1.067 501 HG LEU 62 HG LEU 62 10.416 -14.939 2.656 502 1HD1 LEU 62 HMD LEU 62 8.477 -15.351 1.090 503 2HD1 LEU 62 HMD LEU 62 9.660 -15.959 -0.096 504 3HD1 LEU 62 HMD LEU 62 9.468 -16.784 1.472 505 1HD2 LEU 62 HMD LEU 62 12.365 -14.702 0.527 506 2HD2 LEU 62 HMD LEU 62 12.486 -15.547 2.091 507 3HD2 LEU 62 HMD LEU 62 11.796 -16.383 0.678 508 H ALA 63 HN ALA 63 9.205 -10.939 -0.005 509 HA ALA 63 HA ALA 63 10.871 -8.926 0.898 510 1HB ALA 63 HMB ALA 63 8.652 -9.113 -1.071 511 2HB ALA 63 HMB ALA 63 9.171 -7.481 -0.579 512 3HB ALA 63 HMB ALA 63 10.351 -8.618 -1.280 513 H VAL 64 HN VAL 64 7.282 -8.868 1.059 514 HA VAL 64 HA VAL 64 7.305 -6.421 2.416 515 HB VAL 64 HB VAL 64 5.527 -7.944 1.043 516 1HG1 VAL 64 HMG VAL 64 4.836 -9.224 3.047 517 2HG1 VAL 64 HMG VAL 64 4.259 -7.711 3.787 518 3HG1 VAL 64 HMG VAL 64 3.515 -8.307 2.285 519 1HG2 VAL 64 HMG VAL 64 5.683 -5.304 2.136 520 2HG2 VAL 64 HMG VAL 64 4.862 -5.894 0.670 521 3HG2 VAL 64 HMG VAL 64 4.001 -5.883 2.229 522 H ARG 65 HN ARG 65 6.449 -9.644 3.728 523 HA ARG 65 HA ARG 65 6.263 -8.958 6.365 524 1HB ARG 65 HBS ARG 65 5.730 -11.179 5.432 525 2HB ARG 65 HBR ARG 65 7.478 -11.537 5.324 526 1HG ARG 65 HGS ARG 65 7.672 -11.947 7.545 527 2HG ARG 65 HGR ARG 65 6.471 -10.702 7.992 528 1HD ARG 65 HDS ARG 65 5.136 -12.417 8.432 529 2HD ARG 65 HDR ARG 65 4.942 -12.526 6.661 530 HE ARG 65 HE ARG 65 6.546 -14.297 8.378 531 1HH1 ARG 65 HH1 ARG 65 5.886 -13.228 5.085 532 2HH1 ARG 65 HH1 ARG 65 6.293 -14.761 4.389 533 1HH2 ARG 65 HH2 ARG 65 6.945 -16.324 7.447 534 2HH2 ARG 65 HH2 ARG 65 6.893 -16.513 5.725 535 H ARG 66 HN ARG 66 9.231 -9.626 4.554 536 HA ARG 66 HA ARG 66 10.986 -9.465 6.895 537 1HB ARG 66 HBR ARG 66 11.689 -10.784 4.972 538 2HB ARG 66 HBS ARG 66 11.575 -9.344 3.919 539 1HG ARG 66 HGS ARG 66 13.339 -9.103 6.299 540 2HG ARG 66 HGR ARG 66 13.878 -10.227 5.020 541 1HD ARG 66 HDS ARG 66 12.865 -7.681 4.009 542 2HD ARG 66 HDR ARG 66 14.290 -7.521 5.074 543 HE ARG 66 HE ARG 66 14.538 -9.571 3.017 544 1HH1 ARG 66 HH1 ARG 66 14.808 -6.105 3.606 545 2HH1 ARG 66 HH1 ARG 66 16.106 -5.904 2.476 546 1HH2 ARG 66 HH2 ARG 66 16.320 -9.291 1.645 547 2HH2 ARG 66 HH2 ARG 66 16.962 -7.707 1.365 548 H PHE 67 HN PHE 67 9.392 -7.376 4.631 549 HA PHE 67 HA PHE 67 11.223 -5.200 4.856 550 1HB PHE 67 HBR PHE 67 9.721 -5.517 2.884 551 2HB PHE 67 HBS PHE 67 8.324 -5.092 3.916 552 HD1 PHE 67 HD1 PHE 67 11.739 -3.815 3.297 553 HD2 PHE 67 HD2 PHE 67 7.593 -2.851 3.519 554 HE1 PHE 67 HE1 PHE 67 12.257 -1.517 2.612 555 HE2 PHE 67 HE2 PHE 67 8.091 -0.530 2.821 556 HZ PHE 67 HZ PHE 67 10.452 0.161 2.505 557 H LYS 68 HN LYS 68 8.372 -6.181 6.629 558 HA LYS 68 HA LYS 68 8.906 -3.935 8.514 559 1HB LYS 68 HBR LYS 68 6.659 -3.696 7.542 560 2HB LYS 68 HBS LYS 68 6.260 -5.356 8.069 561 1HG LYS 68 HGR LYS 68 5.343 -3.575 9.565 562 2HG LYS 68 HGS LYS 68 6.430 -4.725 10.396 563 1HD LYS 68 HDS LYS 68 6.962 -2.585 11.207 564 2HD LYS 68 HDR LYS 68 8.265 -3.138 10.192 565 1HE LYS 68 HES LYS 68 6.834 -1.791 8.350 566 2HE LYS 68 HER LYS 68 6.430 -0.876 9.828 567 1HZ LYS 68 HZB LYS 68 9.115 -1.304 9.928 568 2HZ LYS 68 HZC LYS 68 8.834 -0.910 8.368 569 3HZ LYS 68 HZA LYS 68 8.365 0.100 9.562 570 H LYS 69 HN LYS 69 10.478 -5.196 9.533 571 HA LYS 69 HA LYS 69 9.470 -7.617 10.959 572 1HB LYS 69 HBR LYS 69 11.620 -8.666 10.607 573 2HB LYS 69 HBS LYS 69 10.868 -8.249 9.042 574 1HG LYS 69 HGR LYS 69 12.328 -6.184 9.002 575 2HG LYS 69 HGS LYS 69 13.179 -6.843 10.428 576 1HD LYS 69 HDS LYS 69 12.894 -8.469 7.924 577 2HD LYS 69 HDR LYS 69 14.097 -7.214 8.033 578 1HE LYS 69 HES LYS 69 15.319 -8.274 9.665 579 2HE LYS 69 HER LYS 69 13.911 -9.220 10.225 580 1HZ LYS 69 HZA LYS 69 14.592 -9.776 7.536 581 2HZ LYS 69 HZB LYS 69 15.840 -10.082 8.543 582 3HZ LYS 69 HZC LYS 69 14.396 -10.801 8.793 583 1H MET 1 HNB MET 1 -13.006 -2.805 -6.205 584 2H MET 1 HN MET 1 -13.178 -3.602 -7.621 585 3H MET 1 HNC MET 1 -14.312 -3.755 -6.455 586 HA MET 1 HA MET 1 -12.801 -4.829 -4.999 587 1HB MET 1 HBS MET 1 -12.469 -6.921 -6.358 588 2HB MET 1 HBR MET 1 -14.136 -6.277 -6.334 589 1HG MET 1 HGS MET 1 -13.632 -5.140 -8.545 590 2HG MET 1 HGR MET 1 -12.080 -6.012 -8.559 591 1HE MET 1 HME MET 1 -13.460 -6.719 -10.987 592 2HE MET 1 HME MET 1 -12.176 -7.780 -10.354 593 3HE MET 1 HME MET 1 -13.692 -8.486 -10.967 594 H GLU 2 HN GLU 2 -10.852 -4.410 -4.290 595 HA GLU 2 HA GLU 2 -8.566 -4.357 -4.140 596 1HB GLU 2 HBR GLU 2 -9.201 -6.246 -6.362 597 2HB GLU 2 HBS GLU 2 -7.621 -5.690 -6.249 598 1HG GLU 2 HGS GLU 2 -7.438 -6.339 -3.885 599 2HG GLU 2 HGR GLU 2 -9.032 -7.139 -3.962 600 H LEU 3 HN LEU 3 -6.527 -3.745 -5.294 601 HA LEU 3 HA LEU 3 -6.956 -1.404 -6.962 602 1HB LEU 3 HBR LEU 3 -4.268 -2.616 -6.462 603 2HB LEU 3 HBS LEU 3 -4.773 -0.903 -6.482 604 HG LEU 3 HG LEU 3 -5.190 -2.909 -4.252 605 1HD1 LEU 3 HMD LEU 3 -3.521 -0.385 -4.496 606 2HD1 LEU 3 HMD LEU 3 -3.754 -1.330 -3.003 607 3HD1 LEU 3 HMD LEU 3 -2.914 -2.057 -4.396 608 1HD2 LEU 3 HMD LEU 3 -6.242 -0.143 -4.794 609 2HD2 LEU 3 HMD LEU 3 -7.090 -1.577 -4.162 610 3HD2 LEU 3 HMD LEU 3 -5.953 -0.683 -3.121 611 HA PRO 4 HA PRO 4 -5.878 -3.101 -10.943 612 1HB PRO 4 HBR PRO 4 -4.332 -1.113 -11.838 613 2HB PRO 4 HBS PRO 4 -5.963 -1.179 -12.026 614 1HG PRO 4 HGS PRO 4 -4.493 0.482 -10.359 615 2HG PRO 4 HGR PRO 4 -6.090 0.628 -10.817 616 1HD PRO 4 HDS PRO 4 -5.159 -0.257 -8.409 617 2HD PRO 4 HDR PRO 4 -6.737 -0.203 -8.901 618 H ILE 5 HN ILE 5 -4.449 -4.411 -11.862 619 HA ILE 5 HA ILE 5 -2.237 -4.988 -10.028 620 HB ILE 5 HB ILE 5 -2.244 -7.209 -11.105 621 1HG1 ILE 5 HG1 ILE 5 -4.276 -5.943 -12.972 622 2HG1 ILE 5 HG1 ILE 5 -2.679 -6.632 -13.382 623 1HG2 ILE 5 HMG ILE 5 -4.928 -6.155 -10.230 624 2HG2 ILE 5 HMG ILE 5 -4.654 -7.873 -10.621 625 3HG2 ILE 5 HMG ILE 5 -3.735 -7.101 -9.301 626 1HD1 ILE 5 HMD ILE 5 -4.079 -8.729 -12.169 627 2HD1 ILE 5 HMD ILE 5 -5.272 -7.920 -13.220 628 3HD1 ILE 5 HMD ILE 5 -3.737 -8.517 -13.907 629 H ALA 6 HN ALA 6 -2.764 -3.722 -13.193 630 HA ALA 6 HA ALA 6 -0.171 -4.365 -14.262 631 1HB ALA 6 HMB ALA 6 -2.598 -3.020 -15.115 632 2HB ALA 6 HMB ALA 6 -1.144 -2.113 -15.601 633 3HB ALA 6 HMB ALA 6 -1.331 -3.819 -16.080 634 HA PRO 7 HA PRO 7 0.696 0.314 -13.305 635 1HB PRO 7 HBR PRO 7 -0.917 1.288 -11.358 636 2HB PRO 7 HBS PRO 7 -0.944 1.729 -12.940 637 1HG PRO 7 HGS PRO 7 -2.736 0.096 -11.573 638 2HG PRO 7 HGR PRO 7 -2.955 0.888 -13.025 639 1HD PRO 7 HDS PRO 7 -2.567 -1.743 -12.775 640 2HD PRO 7 HDR PRO 7 -2.362 -0.890 -14.177 641 H ILE 8 HN ILE 8 -0.447 -1.650 -10.715 642 HA ILE 8 HA ILE 8 1.632 -1.083 -8.855 643 HB ILE 8 HB ILE 8 -0.014 -3.612 -9.347 644 1HG1 ILE 8 HG1 ILE 8 -0.332 -1.276 -7.426 645 2HG1 ILE 8 HG1 ILE 8 -1.372 -1.685 -8.820 646 1HG2 ILE 8 HMG ILE 8 2.273 -3.297 -7.688 647 2HG2 ILE 8 HMG ILE 8 0.836 -3.424 -6.639 648 3HG2 ILE 8 HMG ILE 8 1.180 -4.697 -7.840 649 1HD1 ILE 8 HMD ILE 8 -1.924 -3.845 -7.632 650 2HD1 ILE 8 HMD ILE 8 -1.088 -3.180 -6.203 651 3HD1 ILE 8 HMD ILE 8 -2.530 -2.358 -6.855 652 H GLY 9 HN GLY 9 1.337 -3.530 -11.443 653 1HA GLY 9 HAR GLY 9 3.770 -4.767 -11.170 654 2HA GLY 9 HAS GLY 9 2.942 -4.574 -12.738 655 H ARG 10 HN ARG 10 3.078 -1.662 -12.712 656 HA ARG 10 HA ARG 10 5.761 -1.352 -13.726 657 1HB ARG 10 HBR ARG 10 3.723 -0.370 -14.780 658 2HB ARG 10 HBS ARG 10 3.605 0.758 -13.399 659 1HG ARG 10 HGS ARG 10 6.250 0.967 -14.378 660 2HG ARG 10 HGR ARG 10 5.179 0.964 -15.807 661 1HD ARG 10 HDS ARG 10 4.323 2.612 -13.508 662 2HD ARG 10 HDR ARG 10 5.782 3.154 -14.385 663 HE ARG 10 HE ARG 10 4.463 3.431 -16.353 664 1HH1 ARG 10 HH1 ARG 10 2.521 2.165 -13.697 665 2HH1 ARG 10 HH1 ARG 10 1.035 2.763 -14.355 666 1HH2 ARG 10 HH2 ARG 10 2.519 4.313 -17.113 667 2HH2 ARG 10 HH2 ARG 10 1.033 3.980 -16.287 668 H ILE 11 HN ILE 11 4.133 -0.623 -10.748 669 HA ILE 11 HA ILE 11 6.163 1.169 -9.690 670 HB ILE 11 HB ILE 11 4.059 -0.592 -8.342 671 1HG1 ILE 11 HG1 ILE 11 4.170 2.351 -9.078 672 2HG1 ILE 11 HG1 ILE 11 3.039 1.104 -9.674 673 1HG2 ILE 11 HMG ILE 11 6.121 -0.018 -6.940 674 2HG2 ILE 11 HMG ILE 11 5.523 1.661 -6.987 675 3HG2 ILE 11 HMG ILE 11 4.516 0.374 -6.271 676 1HD1 ILE 11 HMD ILE 11 2.496 0.982 -7.037 677 2HD1 ILE 11 HMD ILE 11 2.998 2.689 -7.166 678 3HD1 ILE 11 HMD ILE 11 1.657 2.075 -8.170 679 H ILE 12 HN ILE 12 5.546 -2.327 -9.759 680 HA ILE 12 HA ILE 12 7.876 -3.080 -8.194 681 HB ILE 12 HB ILE 12 6.437 -4.765 -10.288 682 1HG1 ILE 12 HG1 ILE 12 4.865 -3.583 -8.664 683 2HG1 ILE 12 HG1 ILE 12 4.734 -5.360 -8.785 684 1HG2 ILE 12 HMG ILE 12 8.464 -5.271 -8.271 685 2HG2 ILE 12 HMG ILE 12 7.049 -6.344 -8.094 686 3HG2 ILE 12 HMG ILE 12 7.926 -6.272 -9.646 687 1HD1 ILE 12 HMD ILE 12 6.267 -3.921 -6.602 688 2HD1 ILE 12 HMD ILE 12 4.566 -4.440 -6.463 689 3HD1 ILE 12 HMD ILE 12 5.853 -5.655 -6.690 690 H LYS 13 HN LYS 13 7.086 -2.447 -11.583 691 HA LYS 13 HA LYS 13 9.601 -3.146 -12.738 692 1HB LYS 13 HBR LYS 13 7.524 -1.074 -13.507 693 2HB LYS 13 HBS LYS 13 8.976 -1.444 -14.476 694 1HG LYS 13 HGR LYS 13 7.931 -3.947 -14.142 695 2HG LYS 13 HGS LYS 13 6.444 -2.957 -14.169 696 1HD LYS 13 HDS LYS 13 6.713 -3.494 -16.377 697 2HD LYS 13 HDR LYS 13 7.348 -1.877 -16.249 698 1HE LYS 13 HES LYS 13 9.520 -3.629 -15.777 699 2HE LYS 13 HER LYS 13 8.630 -4.213 -17.212 700 1HZ LYS 13 HZA LYS 13 9.134 -1.378 -17.047 701 2HZ LYS 13 HZB LYS 13 10.430 -2.329 -17.337 702 3HZ LYS 13 HZC LYS 13 9.146 -2.369 -18.345 703 H ASP 14 HN ASP 14 8.334 -0.152 -11.265 704 HA ASP 14 HA ASP 14 10.510 1.429 -11.593 705 1HB ASP 14 HBS ASP 14 8.244 1.995 -10.618 706 2HB ASP 14 HBR ASP 14 8.923 1.491 -9.043 707 H ALA 15 HN ALA 15 10.025 -0.978 -9.053 708 HA ALA 15 HA ALA 15 12.452 -0.830 -7.721 709 1HB ALA 15 HMB ALA 15 10.339 -2.536 -7.727 710 2HB ALA 15 HMB ALA 15 11.600 -3.554 -8.470 711 3HB ALA 15 HMB ALA 15 11.872 -2.825 -6.866 712 H GLY 16 HN GLY 16 11.737 -2.437 -10.820 713 1HA GLY 16 HAR GLY 16 13.699 -2.549 -12.402 714 2HA GLY 16 HAS GLY 16 14.616 -3.235 -11.036 715 H ALA 17 HN ALA 17 11.337 -4.179 -11.014 716 HA ALA 17 HA ALA 17 11.704 -6.864 -11.837 717 1HB ALA 17 HMB ALA 17 9.510 -5.088 -11.098 718 2HB ALA 17 HMB ALA 17 9.052 -6.267 -12.353 719 3HB ALA 17 HMB ALA 17 9.734 -6.831 -10.807 720 H GLU 18 HN GLU 18 10.572 -7.866 -13.701 721 HA GLU 18 HA GLU 18 9.864 -6.240 -15.964 722 1HB GLU 18 HBR GLU 18 12.393 -6.354 -16.023 723 2HB GLU 18 HBS GLU 18 12.258 -8.024 -16.117 724 1HG GLU 18 HGS GLU 18 10.582 -7.286 -18.158 725 2HG GLU 18 HGR GLU 18 11.918 -6.118 -18.348 726 H ARG 19 HN ARG 19 11.151 -9.527 -15.289 727 HA ARG 19 HA ARG 19 8.637 -10.716 -16.327 728 1HB ARG 19 HBR ARG 19 11.412 -11.686 -15.925 729 2HB ARG 19 HBS ARG 19 10.107 -12.835 -15.507 730 1HG ARG 19 HGS ARG 19 9.526 -11.606 -18.045 731 2HG ARG 19 HGR ARG 19 11.191 -12.253 -18.062 732 1HD ARG 19 HDS ARG 19 10.412 -14.294 -18.296 733 2HD ARG 19 HDR ARG 19 9.506 -14.136 -16.764 734 HE ARG 19 HE ARG 19 7.731 -13.017 -18.266 735 1HH1 ARG 19 HH1 ARG 19 9.745 -15.782 -19.119 736 2HH1 ARG 19 HH1 ARG 19 8.685 -16.303 -20.386 737 1HH2 ARG 19 HH2 ARG 19 6.436 -13.654 -20.014 738 2HH2 ARG 19 HH2 ARG 19 6.811 -15.100 -20.891 739 H VAL 20 HN VAL 20 7.279 -10.028 -14.670 740 HA VAL 20 HA VAL 20 7.815 -11.246 -12.010 741 HB VAL 20 HB VAL 20 6.052 -8.875 -12.663 742 1HG1 VAL 20 HMG VAL 20 5.714 -10.624 -10.577 743 2HG1 VAL 20 HMG VAL 20 6.729 -9.354 -9.850 744 3HG1 VAL 20 HMG VAL 20 5.176 -8.928 -10.610 745 1HG2 VAL 20 HMG VAL 20 8.863 -9.034 -12.138 746 2HG2 VAL 20 HMG VAL 20 7.850 -7.608 -12.470 747 3HG2 VAL 20 HMG VAL 20 8.057 -8.184 -10.798 748 H SER 21 HN SER 21 6.250 -12.492 -11.091 749 HA SER 21 HA SER 21 4.328 -13.839 -12.759 750 1HB SER 21 HBS SER 21 3.568 -14.899 -10.774 751 2HB SER 21 HBR SER 21 5.352 -14.815 -10.704 752 HG SER 21 HG SER 21 5.372 -13.297 -9.209 753 H ASP 22 HN ASP 22 2.214 -13.495 -13.049 754 HA ASP 22 HA ASP 22 1.037 -10.939 -12.507 755 1HB ASP 22 HBS ASP 22 -1.098 -12.104 -13.164 756 2HB ASP 22 HBR ASP 22 0.211 -12.017 -14.378 757 H ASP 23 HN ASP 23 1.418 -13.869 -10.714 758 HA ASP 23 HA ASP 23 -0.503 -13.308 -8.662 759 1HB ASP 23 HBS ASP 23 1.500 -15.293 -9.182 760 2HB ASP 23 HBR ASP 23 1.630 -14.699 -7.501 761 H ALA 24 HN ALA 24 3.011 -12.689 -8.916 762 HA ALA 24 HA ALA 24 3.298 -11.601 -6.401 763 1HB ALA 24 HMB ALA 24 4.838 -11.139 -8.957 764 2HB ALA 24 HMB ALA 24 5.346 -10.469 -7.386 765 3HB ALA 24 HMB ALA 24 5.219 -12.233 -7.603 766 H ARG 25 HN ARG 25 2.663 -9.861 -9.456 767 HA ARG 25 HA ARG 25 2.483 -7.266 -8.421 768 1HB ARG 25 HBR ARG 25 1.167 -8.650 -10.751 769 2HB ARG 25 HBS ARG 25 0.730 -6.974 -10.312 770 1HG ARG 25 HGS ARG 25 2.461 -6.245 -11.500 771 2HG ARG 25 HGR ARG 25 3.561 -7.091 -10.374 772 1HD ARG 25 HDS ARG 25 4.184 -8.055 -12.323 773 2HD ARG 25 HDR ARG 25 2.882 -9.174 -11.830 774 HE ARG 25 HE ARG 25 1.421 -7.683 -13.346 775 1HH1 ARG 25 HH1 ARG 25 4.758 -8.643 -13.954 776 2HH1 ARG 25 HH1 ARG 25 4.655 -8.322 -15.653 777 1HH2 ARG 25 HH2 ARG 25 1.363 -7.154 -15.549 778 2HH2 ARG 25 HH2 ARG 25 2.733 -7.483 -16.557 779 H ILE 26 HN ILE 26 -0.170 -9.622 -8.941 780 HA ILE 26 HA ILE 26 -2.180 -8.215 -7.632 781 HB ILE 26 HB ILE 26 -1.744 -11.233 -7.857 782 1HG1 ILE 26 HG1 ILE 26 -3.543 -9.466 -9.545 783 2HG1 ILE 26 HG1 ILE 26 -1.822 -9.742 -9.940 784 1HG2 ILE 26 HMG ILE 26 -3.389 -10.562 -6.074 785 2HG2 ILE 26 HMG ILE 26 -4.384 -9.849 -7.372 786 3HG2 ILE 26 HMG ILE 26 -4.033 -11.597 -7.376 787 1HD1 ILE 26 HMD ILE 26 -2.678 -12.299 -9.633 788 2HD1 ILE 26 HMD ILE 26 -4.165 -11.523 -10.240 789 3HD1 ILE 26 HMD ILE 26 -2.658 -11.424 -11.188 790 H THR 27 HN THR 27 0.559 -9.881 -6.312 791 HA THR 27 HA THR 27 -0.607 -10.447 -3.750 792 HB THR 27 HB THR 27 2.314 -10.460 -4.698 793 HG1 THR 27 HG1 THR 27 0.428 -12.325 -4.108 794 1HG2 THR 27 HMG THR 27 2.271 -10.215 -2.276 795 2HG2 THR 27 HMG THR 27 1.181 -11.619 -2.139 796 3HG2 THR 27 HMG THR 27 2.840 -11.835 -2.754 797 H LEU 28 HN LEU 28 1.574 -7.931 -5.001 798 HA LEU 28 HA LEU 28 1.809 -6.408 -2.598 799 1HB LEU 28 HBR LEU 28 2.265 -6.105 -5.500 800 2HB LEU 28 HBS LEU 28 1.893 -4.588 -4.636 801 HG LEU 28 HG LEU 28 4.219 -4.692 -4.716 802 1HD1 LEU 28 HMD LEU 28 2.902 -5.034 -2.207 803 2HD1 LEU 28 HMD LEU 28 4.452 -5.912 -2.147 804 3HD1 LEU 28 HMD LEU 28 4.425 -4.181 -2.566 805 1HD2 LEU 28 HMD LEU 28 3.746 -7.613 -4.251 806 2HD2 LEU 28 HMD LEU 28 4.792 -6.790 -5.437 807 3HD2 LEU 28 HMD LEU 28 5.294 -6.900 -3.731 808 H ALA 29 HN ALA 29 -0.592 -6.475 -5.223 809 HA ALA 29 HA ALA 29 -2.104 -4.299 -4.465 810 1HB ALA 29 HMB ALA 29 -2.308 -6.408 -6.306 811 2HB ALA 29 HMB ALA 29 -3.836 -6.416 -5.389 812 3HB ALA 29 HMB ALA 29 -3.300 -4.931 -6.216 813 H LYS 30 HN LYS 30 -2.480 -7.680 -3.381 814 HA LYS 30 HA LYS 30 -4.646 -7.116 -1.638 815 1HB LYS 30 HBR LYS 30 -2.674 -9.424 -1.590 816 2HB LYS 30 HBS LYS 30 -4.217 -9.344 -0.690 817 1HG LYS 30 HGR LYS 30 -4.491 -8.866 -3.590 818 2HG LYS 30 HGS LYS 30 -3.870 -10.489 -3.173 819 1HD LYS 30 HDS LYS 30 -6.348 -9.295 -1.939 820 2HD LYS 30 HDR LYS 30 -6.364 -10.211 -3.421 821 1HE LYS 30 HES LYS 30 -5.395 -11.231 -0.753 822 2HE LYS 30 HER LYS 30 -6.948 -11.608 -1.549 823 1HZ LYS 30 HZC LYS 30 -4.718 -12.099 -3.221 824 2HZ LYS 30 HZA LYS 30 -4.639 -12.973 -1.842 825 3HZ LYS 30 HZB LYS 30 -5.948 -13.092 -2.811 826 H ILE 31 HN ILE 31 -1.164 -7.026 -1.239 827 HA ILE 31 HA ILE 31 -1.101 -6.731 1.639 828 HB ILE 31 HB ILE 31 0.803 -6.059 -0.645 829 1HG1 ILE 31 HG1 ILE 31 1.583 -7.922 1.520 830 2HG1 ILE 31 HG1 ILE 31 0.159 -8.425 0.565 831 1HG2 ILE 31 HMG ILE 31 1.317 -5.619 2.305 832 2HG2 ILE 31 HMG ILE 31 2.554 -5.590 1.020 833 3HG2 ILE 31 HMG ILE 31 1.246 -4.376 1.028 834 1HD1 ILE 31 HMD ILE 31 2.196 -7.511 -1.229 835 2HD1 ILE 31 HMD ILE 31 2.911 -8.683 -0.091 836 3HD1 ILE 31 HMD ILE 31 1.488 -9.140 -1.065 837 H LEU 32 HN LEU 32 -0.336 -4.274 -0.835 838 HA LEU 32 HA LEU 32 -0.485 -2.180 0.909 839 1HB LEU 32 HBR LEU 32 -0.723 -2.419 -2.083 840 2HB LEU 32 HBS LEU 32 -0.781 -0.822 -1.283 841 HG LEU 32 HG LEU 32 1.483 -1.792 -0.198 842 1HD1 LEU 32 HMD LEU 32 1.232 -3.030 -2.956 843 2HD1 LEU 32 HMD LEU 32 2.773 -2.811 -2.089 844 3HD1 LEU 32 HMD LEU 32 1.512 -3.870 -1.409 845 1HD2 LEU 32 HMD LEU 32 1.097 -0.437 -2.886 846 2HD2 LEU 32 HMD LEU 32 1.181 0.351 -1.290 847 3HD2 LEU 32 HMD LEU 32 2.621 -0.459 -1.961 848 H GLU 33 HN GLU 33 -3.096 -3.431 -1.142 849 HA GLU 33 HA GLU 33 -4.972 -1.398 -0.551 850 1HB GLU 33 HBR GLU 33 -5.015 -3.035 -2.411 851 2HB GLU 33 HBS GLU 33 -5.230 -4.278 -1.303 852 1HG GLU 33 HGS GLU 33 -7.279 -2.385 -0.766 853 2HG GLU 33 HGR GLU 33 -7.358 -2.768 -2.507 854 H GLU 34 HN GLU 34 -4.334 -4.557 0.978 855 HA GLU 34 HA GLU 34 -6.423 -4.521 2.846 856 1HB GLU 34 HBR GLU 34 -3.699 -5.754 2.667 857 2HB GLU 34 HBS GLU 34 -4.497 -5.785 4.143 858 1HG GLU 34 HGS GLU 34 -5.853 -6.774 1.659 859 2HG GLU 34 HGR GLU 34 -4.932 -7.888 2.706 860 H MET 35 HN MET 35 -2.994 -3.583 3.359 861 HA MET 35 HA MET 35 -3.381 -2.415 5.883 862 1HB MET 35 HBS MET 35 -1.220 -1.291 5.494 863 2HB MET 35 HBR MET 35 -1.187 -3.035 5.106 864 1HG MET 35 HGS MET 35 -1.542 -2.424 2.679 865 2HG MET 35 HGR MET 35 -1.377 -0.715 3.148 866 1HE MET 35 HME MET 35 0.309 0.413 3.192 867 2HE MET 35 HME MET 35 1.713 0.072 4.233 868 3HE MET 35 HME MET 35 1.864 -0.060 2.463 869 H GLY 36 HN GLY 36 -3.807 -1.123 2.641 870 1HA GLY 36 HAR GLY 36 -4.044 1.605 3.321 871 2HA GLY 36 HAS GLY 36 -4.734 0.834 1.867 872 H ARG 37 HN ARG 37 -6.543 -0.928 2.915 873 HA ARG 37 HA ARG 37 -8.778 0.616 3.808 874 1HB ARG 37 HBR ARG 37 -8.144 -2.319 3.643 875 2HB ARG 37 HBS ARG 37 -9.577 -1.758 4.552 876 1HG ARG 37 HGS ARG 37 -10.746 -1.381 2.681 877 2HG ARG 37 HGR ARG 37 -9.374 -0.555 1.888 878 1HD ARG 37 HDS ARG 37 -8.559 -2.480 0.976 879 2HD ARG 37 HDR ARG 37 -9.291 -3.516 2.234 880 HE ARG 37 HE ARG 37 -10.727 -2.316 -0.077 881 1HH1 ARG 37 HH1 ARG 37 -10.750 -4.444 2.734 882 2HH1 ARG 37 HH1 ARG 37 -12.077 -5.388 2.146 883 1HH2 ARG 37 HH2 ARG 37 -12.376 -3.653 -0.873 884 2HH2 ARG 37 HH2 ARG 37 -12.997 -4.940 0.105 885 H ASP 38 HN ASP 38 -6.033 -0.775 5.393 886 HA ASP 38 HA ASP 38 -7.305 -0.897 7.963 887 1HB ASP 38 HBS ASP 38 -5.205 -2.180 6.813 888 2HB ASP 38 HBR ASP 38 -4.381 -1.057 7.933 889 H ILE 39 HN ILE 39 -4.747 1.175 6.581 890 HA ILE 39 HA ILE 39 -4.576 2.937 8.871 891 HB ILE 39 HB ILE 39 -3.873 3.569 5.968 892 1HG1 ILE 39 HG1 ILE 39 -1.940 2.347 7.953 893 2HG1 ILE 39 HG1 ILE 39 -2.986 1.332 6.919 894 1HG2 ILE 39 HMG ILE 39 -3.836 5.450 7.575 895 2HG2 ILE 39 HMG ILE 39 -2.623 4.565 8.536 896 3HG2 ILE 39 HMG ILE 39 -2.239 5.082 6.872 897 1HD1 ILE 39 HMD ILE 39 -1.354 3.459 5.603 898 2HD1 ILE 39 HMD ILE 39 -0.518 2.003 6.206 899 3HD1 ILE 39 HMD ILE 39 -1.837 1.846 5.013 900 H ALA 40 HN ALA 40 -6.835 2.402 6.346 901 HA ALA 40 HA ALA 40 -8.054 5.023 6.258 902 1HB ALA 40 HMB ALA 40 -8.572 2.327 5.224 903 2HB ALA 40 HMB ALA 40 -10.042 3.222 5.686 904 3HB ALA 40 HMB ALA 40 -8.901 3.927 4.512 905 H SER 41 HN SER 41 -9.439 1.993 7.553 906 HA SER 41 HA SER 41 -11.256 3.256 9.248 907 1HB SER 41 HBS SER 41 -11.422 0.917 8.541 908 2HB SER 41 HBR SER 41 -10.051 0.495 9.608 909 HG SER 41 HG SER 41 -11.537 0.064 10.972 910 H GLU 42 HN GLU 42 -7.878 2.886 9.620 911 HA GLU 42 HA GLU 42 -7.882 3.270 12.496 912 1HB GLU 42 HBR GLU 42 -5.903 3.087 10.257 913 2HB GLU 42 HBS GLU 42 -5.428 3.849 11.675 914 1HG GLU 42 HGS GLU 42 -4.951 1.335 11.485 915 2HG GLU 42 HGR GLU 42 -5.518 1.948 13.062 916 H ALA 43 HN ALA 43 -7.120 5.272 9.629 917 HA ALA 43 HA ALA 43 -6.786 7.757 11.044 918 1HB ALA 43 HMB ALA 43 -6.255 7.029 8.558 919 2HB ALA 43 HMB ALA 43 -7.904 7.642 8.276 920 3HB ALA 43 HMB ALA 43 -6.664 8.712 8.977 921 H ILE 44 HN ILE 44 -9.465 5.730 10.306 922 HA ILE 44 HA ILE 44 -11.429 7.931 10.265 923 HB ILE 44 HB ILE 44 -11.639 4.917 9.821 924 1HG1 ILE 44 HG1 ILE 44 -12.158 7.191 7.877 925 2HG1 ILE 44 HG1 ILE 44 -10.556 6.432 8.098 926 1HG2 ILE 44 HMG ILE 44 -13.833 6.979 9.939 927 2HG2 ILE 44 HMG ILE 44 -13.992 5.464 9.012 928 3HG2 ILE 44 HMG ILE 44 -13.719 5.407 10.774 929 1HD1 ILE 44 HMD ILE 44 -11.507 4.262 7.423 930 2HD1 ILE 44 HMD ILE 44 -13.090 5.045 7.171 931 3HD1 ILE 44 HMD ILE 44 -11.696 5.503 6.155 932 H LYS 45 HN LYS 45 -10.910 4.863 12.052 933 HA LYS 45 HA LYS 45 -12.480 5.430 14.281 934 1HB LYS 45 HBR LYS 45 -11.192 3.284 13.696 935 2HB LYS 45 HBS LYS 45 -9.802 4.050 14.516 936 1HG LYS 45 HGR LYS 45 -10.667 2.904 16.295 937 2HG LYS 45 HGS LYS 45 -11.637 4.397 16.440 938 1HD LYS 45 HDS LYS 45 -13.005 2.702 14.643 939 2HD LYS 45 HDR LYS 45 -12.468 1.693 15.958 940 1HE LYS 45 HES LYS 45 -13.444 3.387 17.554 941 2HE LYS 45 HER LYS 45 -14.190 4.143 16.118 942 1HZ LYS 45 HZB LYS 45 -14.548 1.294 16.602 943 2HZ LYS 45 HZC LYS 45 -15.460 2.366 17.429 944 3HZ LYS 45 HZA LYS 45 -15.514 2.335 15.797 945 H LEU 46 HN LEU 46 -9.232 6.540 13.465 946 HA LEU 46 HA LEU 46 -8.667 7.971 15.885 947 1HB LEU 46 HBR LEU 46 -7.814 8.102 13.000 948 2HB LEU 46 HBS LEU 46 -7.301 9.355 14.167 949 HG LEU 46 HG LEU 46 -6.811 6.458 14.775 950 1HD1 LEU 46 HMD LEU 46 -5.604 8.056 12.602 951 2HD1 LEU 46 HMD LEU 46 -4.440 7.303 13.720 952 3HD1 LEU 46 HMD LEU 46 -5.628 6.293 12.861 953 1HD2 LEU 46 HMD LEU 46 -6.144 9.092 15.790 954 2HD2 LEU 46 HMD LEU 46 -5.922 7.492 16.542 955 3HD2 LEU 46 HMD LEU 46 -4.673 8.144 15.452 956 H ALA 47 HN ALA 47 -10.113 8.977 12.764 957 HA ALA 47 HA ALA 47 -10.470 11.660 13.465 958 1HB ALA 47 HMB ALA 47 -10.559 10.631 11.175 959 2HB ALA 47 HMB ALA 47 -12.220 10.102 11.551 960 3HB ALA 47 HMB ALA 47 -11.821 11.839 11.523 961 H ARG 48 HN ARG 48 -12.488 8.846 14.070 962 HA ARG 48 HA ARG 48 -14.795 10.188 15.115 963 1HB ARG 48 HBR ARG 48 -13.589 7.513 15.895 964 2HB ARG 48 HBS ARG 48 -15.218 8.108 16.324 965 1HG ARG 48 HGS ARG 48 -14.356 7.816 13.446 966 2HG ARG 48 HGR ARG 48 -14.987 6.428 14.377 967 1HD ARG 48 HDS ARG 48 -16.571 8.886 14.602 968 2HD ARG 48 HDR ARG 48 -16.487 8.199 12.956 969 HE ARG 48 HE ARG 48 -17.120 6.288 15.075 970 1HH1 ARG 48 HH1 ARG 48 -18.495 8.701 12.904 971 2HH1 ARG 48 HH1 ARG 48 -19.996 7.854 12.738 972 1HH2 ARG 48 HH2 ARG 48 -19.047 5.146 14.731 973 2HH2 ARG 48 HH2 ARG 48 -20.311 5.843 13.773 974 H HIS 49 HN HIS 49 -11.796 8.942 16.615 975 HA HIS 49 HA HIS 49 -12.201 9.963 19.195 976 1HB HIS 49 HBS HIS 49 -10.235 8.471 18.254 977 2HB HIS 49 HBR HIS 49 -9.434 10.048 17.999 978 HD1 HIS 49 HD1 HIS 49 -7.684 9.319 19.931 979 HD2 HIS 49 HD2 HIS 49 -11.644 9.759 21.147 980 HE1 HIS 49 HE1 HIS 49 -7.665 9.260 22.437 981 HE2 HIS 49 HE2 HIS 49 -10.062 9.502 23.178 982 H ALA 50 HN ALA 50 -10.909 11.515 16.278 983 HA ALA 50 HA ALA 50 -10.366 14.069 17.348 984 1HB ALA 50 HMB ALA 50 -10.468 12.851 14.815 985 2HB ALA 50 HMB ALA 50 -11.582 14.241 14.741 986 3HB ALA 50 HMB ALA 50 -9.885 14.483 15.228 987 H GLY 51 HN GLY 51 -13.391 12.662 16.077 988 1HA GLY 51 HAR GLY 51 -15.506 13.529 17.083 989 2HA GLY 51 HAS GLY 51 -14.828 15.165 16.876 990 H ARG 52 HN ARG 52 -14.232 12.678 14.487 991 HA ARG 52 HA ARG 52 -14.864 12.415 12.306 992 1HB ARG 52 HBR ARG 52 -17.187 12.193 11.940 993 2HB ARG 52 HBS ARG 52 -16.849 11.653 13.609 994 1HG ARG 52 HGS ARG 52 -18.105 13.294 14.544 995 2HG ARG 52 HGR ARG 52 -17.692 14.488 13.282 996 1HD ARG 52 HDS ARG 52 -19.865 14.132 12.772 997 2HD ARG 52 HDR ARG 52 -19.109 12.857 11.775 998 HE ARG 52 HE ARG 52 -19.805 11.230 13.411 999 1HH1 ARG 52 HH1 ARG 52 -20.891 14.485 14.223 1000 2HH1 ARG 52 HH1 ARG 52 -22.248 13.922 15.138 1001 1HH2 ARG 52 HH2 ARG 52 -21.663 10.535 14.508 1002 2HH2 ARG 52 HH2 ARG 52 -22.684 11.686 15.303 1003 H LYS 53 HN LYS 53 -13.827 15.030 12.960 1004 HA LYS 53 HA LYS 53 -15.232 16.768 11.013 1005 1HB LYS 53 HBR LYS 53 -13.576 17.270 13.268 1006 2HB LYS 53 HBS LYS 53 -12.675 17.792 11.816 1007 1HG LYS 53 HGR LYS 53 -14.010 19.627 12.797 1008 2HG LYS 53 HGS LYS 53 -14.539 19.221 11.139 1009 1HD LYS 53 HDS LYS 53 -15.971 17.738 13.210 1010 2HD LYS 53 HDR LYS 53 -16.118 19.464 13.388 1011 1HE LYS 53 HES LYS 53 -16.715 19.547 10.911 1012 2HE LYS 53 HER LYS 53 -16.908 17.776 11.046 1013 1HZ LYS 53 HZC LYS 53 -18.243 19.463 12.990 1014 2HZ LYS 53 HZA LYS 53 -18.877 19.380 11.487 1015 3HZ LYS 53 HZB LYS 53 -18.699 18.020 12.375 1016 H THR 54 HN THR 54 -14.922 15.318 9.253 1017 HA THR 54 HA THR 54 -13.904 14.673 7.317 1018 HB THR 54 HB THR 54 -11.692 16.690 7.912 1019 HG1 THR 54 HG1 THR 54 -12.847 18.080 7.942 1020 1HG2 THR 54 HMG THR 54 -13.146 15.803 5.420 1021 2HG2 THR 54 HMG THR 54 -12.188 17.305 5.487 1022 3HG2 THR 54 HMG THR 54 -11.402 15.733 5.783 1023 H ILE 55 HN ILE 55 -11.707 14.023 6.312 1024 HA ILE 55 HA ILE 55 -9.907 12.857 8.378 1025 HB ILE 55 HB ILE 55 -10.583 11.687 5.634 1026 1HG1 ILE 55 HG1 ILE 55 -12.316 11.465 7.435 1027 2HG1 ILE 55 HG1 ILE 55 -11.708 9.921 6.774 1028 1HG2 ILE 55 HMG ILE 55 -8.499 10.947 7.662 1029 2HG2 ILE 55 HMG ILE 55 -9.220 9.708 6.600 1030 3HG2 ILE 55 HMG ILE 55 -8.364 11.103 5.890 1031 1HD1 ILE 55 HMD ILE 55 -10.377 10.980 9.222 1032 2HD1 ILE 55 HMD ILE 55 -12.036 10.346 9.390 1033 3HD1 ILE 55 HMD ILE 55 -10.744 9.302 8.740 1034 H LYS 56 HN LYS 56 -7.795 13.291 8.170 1035 HA LYS 56 HA LYS 56 -6.917 15.021 5.918 1036 1HB LYS 56 HBR LYS 56 -5.926 16.563 7.645 1037 2HB LYS 56 HBS LYS 56 -7.704 16.618 7.471 1038 1HG LYS 56 HGR LYS 56 -7.218 14.711 9.483 1039 2HG LYS 56 HGS LYS 56 -6.082 16.048 9.818 1040 1HD LYS 56 HDS LYS 56 -9.083 16.215 9.557 1041 2HD LYS 56 HDR LYS 56 -8.130 16.362 11.009 1042 1HE LYS 56 HES LYS 56 -7.259 18.442 10.427 1043 2HE LYS 56 HER LYS 56 -7.703 18.228 8.710 1044 1HZ LYS 56 HZA LYS 56 -9.847 18.198 10.643 1045 2HZ LYS 56 HZB LYS 56 -9.136 19.641 10.363 1046 3HZ LYS 56 HZC LYS 56 -9.811 18.811 9.130 1047 H ALA 57 HN ALA 57 -4.579 15.544 6.113 1048 HA ALA 57 HA ALA 57 -3.162 13.118 6.081 1049 1HB ALA 57 HMB ALA 57 -2.740 15.772 5.291 1050 2HB ALA 57 HMB ALA 57 -1.405 15.389 6.409 1051 3HB ALA 57 HMB ALA 57 -1.697 14.361 4.983 1052 H GLU 58 HN GLU 58 -3.754 15.392 8.645 1053 HA GLU 58 HA GLU 58 -1.763 14.440 10.528 1054 1HB GLU 58 HBR GLU 58 -3.037 16.572 10.635 1055 2HB GLU 58 HBS GLU 58 -4.464 15.697 10.750 1056 1HG GLU 58 HGS GLU 58 -4.399 15.715 12.932 1057 2HG GLU 58 HGR GLU 58 -2.990 14.621 12.902 1058 H ASP 59 HN ASP 59 -5.114 13.597 9.645 1059 HA ASP 59 HA ASP 59 -5.295 11.559 11.632 1060 1HB ASP 59 HBS ASP 59 -7.051 12.859 9.787 1061 2HB ASP 59 HBR ASP 59 -7.278 11.088 9.699 1062 H ILE 60 HN ILE 60 -4.555 11.542 8.177 1063 HA ILE 60 HA ILE 60 -4.308 8.703 7.867 1064 HB ILE 60 HB ILE 60 -2.951 11.025 6.411 1065 1HG1 ILE 60 HG1 ILE 60 -5.306 11.220 6.197 1066 2HG1 ILE 60 HG1 ILE 60 -4.701 10.535 4.663 1067 1HG2 ILE 60 HMG ILE 60 -1.711 8.920 6.119 1068 2HG2 ILE 60 HMG ILE 60 -3.200 8.144 5.516 1069 3HG2 ILE 60 HMG ILE 60 -2.465 9.491 4.606 1070 1HD1 ILE 60 HMD ILE 60 -5.353 8.260 5.569 1071 2HD1 ILE 60 HMD ILE 60 -6.195 9.123 6.882 1072 3HD1 ILE 60 HMD ILE 60 -6.695 9.370 5.187 1073 H GLU 61 HN GLU 61 -1.904 11.281 8.514 1074 HA GLU 61 HA GLU 61 0.298 9.512 8.591 1075 1HB GLU 61 HBR GLU 61 -0.215 12.305 9.613 1076 2HB GLU 61 HBS GLU 61 1.246 11.522 9.876 1077 1HG GLU 61 HGS GLU 61 2.030 11.638 7.799 1078 2HG GLU 61 HGR GLU 61 0.446 11.408 7.010 1079 H LEU 62 HN LEU 62 -1.799 10.820 11.141 1080 HA LEU 62 HA LEU 62 -0.504 9.585 13.383 1081 1HB LEU 62 HBR LEU 62 -2.227 11.435 13.331 1082 2HB LEU 62 HBS LEU 62 -3.448 10.176 12.992 1083 HG LEU 62 HG LEU 62 -2.757 9.091 15.166 1084 1HD1 LEU 62 HMD LEU 62 -1.180 11.652 15.289 1085 2HD1 LEU 62 HMD LEU 62 -1.827 10.919 16.777 1086 3HD1 LEU 62 HMD LEU 62 -0.699 10.000 15.749 1087 1HD2 LEU 62 HMD LEU 62 -3.917 11.897 15.148 1088 2HD2 LEU 62 HMD LEU 62 -4.802 10.372 14.888 1089 3HD2 LEU 62 HMD LEU 62 -4.082 10.725 16.480 1090 H ALA 63 HN ALA 63 -3.193 8.577 11.248 1091 HA ALA 63 HA ALA 63 -3.629 6.072 12.303 1092 1HB ALA 63 HMB ALA 63 -4.082 7.384 9.695 1093 2HB ALA 63 HMB ALA 63 -4.103 5.603 9.680 1094 3HB ALA 63 HMB ALA 63 -5.202 6.498 10.761 1095 H VAL 64 HN VAL 64 -1.344 6.939 9.694 1096 HA VAL 64 HA VAL 64 -0.596 4.232 9.386 1097 HB VAL 64 HB VAL 64 -0.661 6.439 7.860 1098 1HG1 VAL 64 HMG VAL 64 2.294 6.020 8.369 1099 2HG1 VAL 64 HMG VAL 64 1.630 6.818 6.923 1100 3HG1 VAL 64 HMG VAL 64 1.338 7.513 8.535 1101 1HG2 VAL 64 HMG VAL 64 -0.212 3.727 7.517 1102 2HG2 VAL 64 HMG VAL 64 -0.541 4.941 6.256 1103 3HG2 VAL 64 HMG VAL 64 1.138 4.500 6.651 1104 H ARG 65 HN ARG 65 1.473 7.009 10.325 1105 HA ARG 65 HA ARG 65 3.645 5.520 11.193 1106 1HB ARG 65 HBR ARG 65 3.683 7.950 10.870 1107 2HB ARG 65 HBS ARG 65 2.676 8.162 12.332 1108 1HG ARG 65 HGS ARG 65 4.954 6.588 13.038 1109 2HG ARG 65 HGR ARG 65 5.521 8.009 12.117 1110 1HD ARG 65 HDS ARG 65 5.191 9.310 13.857 1111 2HD ARG 65 HDR ARG 65 3.475 8.821 13.932 1112 HE ARG 65 HE ARG 65 5.205 6.838 15.097 1113 1HH1 ARG 65 HH1 ARG 65 3.967 10.074 15.742 1114 2HH1 ARG 65 HH1 ARG 65 3.842 9.804 17.448 1115 1HH2 ARG 65 HH2 ARG 65 4.906 6.478 17.314 1116 2HH2 ARG 65 HH2 ARG 65 4.375 7.771 18.339 1117 H ARG 66 HN ARG 66 0.561 5.806 12.668 1118 HA ARG 66 HA ARG 66 1.524 4.564 15.170 1119 1HB ARG 66 HBR ARG 66 -0.360 6.281 15.084 1120 2HB ARG 66 HBS ARG 66 -1.353 4.997 14.337 1121 1HG ARG 66 HGS ARG 66 -0.504 3.644 16.480 1122 2HG ARG 66 HGR ARG 66 -0.385 5.297 17.146 1123 1HD ARG 66 HDS ARG 66 -2.844 4.329 15.720 1124 2HD ARG 66 HDR ARG 66 -2.571 4.012 17.457 1125 HE ARG 66 HE ARG 66 -3.099 6.619 16.194 1126 1HH1 ARG 66 HH1 ARG 66 -1.964 4.939 19.078 1127 2HH1 ARG 66 HH1 ARG 66 -2.512 6.183 20.151 1128 1HH2 ARG 66 HH2 ARG 66 -3.918 8.163 17.638 1129 2HH2 ARG 66 HH2 ARG 66 -3.617 8.007 19.337 1130 H PHE 67 HN PHE 67 -0.122 3.806 12.147 1131 HA PHE 67 HA PHE 67 -0.776 1.094 12.686 1132 1HB PHE 67 HBR PHE 67 -1.284 2.622 10.554 1133 2HB PHE 67 HBS PHE 67 0.200 1.831 9.945 1134 HD1 PHE 67 HD2 PHE 67 -2.553 0.391 12.107 1135 HD2 PHE 67 HD1 PHE 67 -0.436 0.347 8.408 1136 HE1 PHE 67 HE2 PHE 67 -3.821 -1.615 11.411 1137 HE2 PHE 67 HE1 PHE 67 -1.681 -1.643 7.697 1138 HZ PHE 67 HZ PHE 67 -3.277 -2.704 9.250 1139 H LYS 68 HN LYS 68 2.227 2.698 12.404 1140 HA LYS 68 HA LYS 68 3.759 0.989 10.957 1141 1HB LYS 68 HBR LYS 68 5.718 1.882 12.055 1142 2HB LYS 68 HBS LYS 68 4.514 3.175 11.787 1143 1HG LYS 68 HGR LYS 68 3.824 2.981 14.171 1144 2HG LYS 68 HGS LYS 68 5.104 1.759 14.417 1145 1HD LYS 68 HDS LYS 68 6.106 4.204 13.193 1146 2HD LYS 68 HDR LYS 68 5.305 4.506 14.709 1147 1HE LYS 68 HES LYS 68 6.960 2.203 15.031 1148 2HE LYS 68 HER LYS 68 7.902 3.525 14.285 1149 1HZ LYS 68 HZA LYS 68 6.466 4.716 16.239 1150 2HZ LYS 68 HZB LYS 68 6.909 3.302 16.926 1151 3HZ LYS 68 HZC LYS 68 8.046 4.309 16.323 1152 H LYS 69 HN LYS 69 4.589 -0.965 11.124 1153 HA LYS 69 HA LYS 69 5.088 -3.054 11.928 1154 1HB LYS 69 HBR LYS 69 5.495 -1.849 14.653 1155 2HB LYS 69 HBS LYS 69 6.404 -3.145 13.824 1156 1HG LYS 69 HGR LYS 69 6.919 -1.058 12.162 1157 2HG LYS 69 HGS LYS 69 6.740 -0.192 13.715 1158 1HD LYS 69 HDS LYS 69 8.317 -2.168 14.546 1159 2HD LYS 69 HDR LYS 69 8.766 -2.188 12.863 1160 1HE LYS 69 HES LYS 69 8.750 0.401 14.368 1161 2HE LYS 69 HER LYS 69 10.117 -0.743 14.489 1162 1HZ LYS 69 HZB LYS 69 9.963 -0.665 11.945 1163 2HZ LYS 69 HZC LYS 69 9.181 0.750 12.173 1164 3HZ LYS 69 HZA LYS 69 10.702 0.557 12.735 No H/Q in entry = 1164 Start of MODEL 18 Raw file had 1198 H/Q atoms Start of MODEL 18 1 1H MET 1 HN MET 1 -1.456 5.419 -12.630 2 2H MET 1 HNC MET 1 -1.321 6.493 -13.854 3 3H MET 1 HNB MET 1 -1.093 4.901 -14.136 4 HA MET 1 HA MET 1 0.965 4.850 -13.435 5 1HB MET 1 HBS MET 1 0.709 7.860 -13.705 6 2HB MET 1 HBR MET 1 2.165 6.855 -13.957 7 1HG MET 1 HGS MET 1 1.041 5.736 -15.874 8 2HG MET 1 HGR MET 1 -0.393 6.758 -15.608 9 1HE MET 1 HME MET 1 3.367 6.720 -15.829 10 2HE MET 1 HME MET 1 3.845 8.148 -16.782 11 3HE MET 1 HME MET 1 3.407 8.330 -15.065 12 H GLU 2 HN GLU 2 -1.013 7.176 -11.666 13 HA GLU 2 HA GLU 2 0.709 6.746 -9.261 14 1HB GLU 2 HBS GLU 2 -0.479 9.053 -10.646 15 2HB GLU 2 HBR GLU 2 -0.501 9.176 -8.973 16 1HG GLU 2 HGS GLU 2 2.076 8.264 -10.105 17 2HG GLU 2 HGR GLU 2 1.641 9.896 -10.683 18 H LEU 3 HN LEU 3 -0.294 5.897 -7.584 19 HA LEU 3 HA LEU 3 -2.583 4.891 -7.468 20 1HB LEU 3 HBR LEU 3 -0.756 5.897 -5.415 21 2HB LEU 3 HBS LEU 3 -2.368 5.361 -4.836 22 HG LEU 3 HG LEU 3 -1.945 3.309 -6.292 23 1HD1 LEU 3 HMD LEU 3 0.580 4.770 -6.486 24 2HD1 LEU 3 HMD LEU 3 0.758 3.025 -6.167 25 3HD1 LEU 3 HMD LEU 3 -0.179 3.581 -7.577 26 1HD2 LEU 3 HMD LEU 3 -1.647 3.680 -3.636 27 2HD2 LEU 3 HMD LEU 3 -1.228 2.135 -4.416 28 3HD2 LEU 3 HMD LEU 3 0.049 3.317 -4.038 29 HA PRO 4 HA PRO 4 -5.309 8.410 -7.717 30 1HB PRO 4 HBR PRO 4 -7.391 6.854 -8.589 31 2HB PRO 4 HBS PRO 4 -6.456 7.851 -9.497 32 1HG PRO 4 HGS PRO 4 -6.471 5.153 -9.571 33 2HG PRO 4 HGR PRO 4 -5.435 6.162 -10.402 34 1HD PRO 4 HDR PRO 4 -4.891 4.616 -8.148 35 2HD PRO 4 HDS PRO 4 -3.819 5.409 -9.125 36 H ILE 5 HN ILE 5 -6.883 9.445 -6.626 37 HA ILE 5 HA ILE 5 -7.167 8.268 -3.958 38 HB ILE 5 HB ILE 5 -7.979 10.459 -3.273 39 1HG1 ILE 5 HG1 ILE 5 -9.226 10.803 -5.497 40 2HG1 ILE 5 HG1 ILE 5 -8.564 12.230 -4.653 41 1HG2 ILE 5 HMG ILE 5 -5.505 10.548 -4.998 42 2HG2 ILE 5 HMG ILE 5 -6.021 11.894 -3.948 43 3HG2 ILE 5 HMG ILE 5 -5.636 10.304 -3.236 44 1HD1 ILE 5 HMD ILE 5 -6.506 11.793 -6.273 45 2HD1 ILE 5 HMD ILE 5 -7.762 10.991 -7.253 46 3HD1 ILE 5 HMD ILE 5 -7.947 12.706 -6.798 47 H ALA 6 HN ALA 6 -8.972 8.411 -6.839 48 HA ALA 6 HA ALA 6 -11.598 8.265 -5.707 49 1HB ALA 6 HMB ALA 6 -10.332 7.784 -8.357 50 2HB ALA 6 HMB ALA 6 -11.904 7.005 -8.046 51 3HB ALA 6 HMB ALA 6 -11.745 8.775 -7.915 52 HA PRO 7 HA PRO 7 -10.957 3.487 -6.187 53 1HB PRO 7 HBS PRO 7 -8.389 2.769 -6.533 54 2HB PRO 7 HBR PRO 7 -9.549 2.699 -7.694 55 1HG PRO 7 HGR PRO 7 -7.445 4.525 -7.427 56 2HG PRO 7 HGS PRO 7 -8.360 4.170 -8.777 57 1HD PRO 7 HDS PRO 7 -8.596 6.392 -7.279 58 2HD PRO 7 HDR PRO 7 -9.690 5.874 -8.406 59 H ILE 8 HN ILE 8 -7.981 4.791 -4.929 60 HA ILE 8 HA ILE 8 -7.959 3.391 -2.529 61 HB ILE 8 HB ILE 8 -6.958 6.214 -3.144 62 1HG1 ILE 8 HG1 ILE 8 -5.685 3.462 -3.298 63 2HG1 ILE 8 HG1 ILE 8 -6.006 4.605 -4.633 64 1HG2 ILE 8 HMG ILE 8 -7.192 5.765 -0.693 65 2HG2 ILE 8 HMG ILE 8 -6.027 4.430 -0.890 66 3HG2 ILE 8 HMG ILE 8 -5.531 6.106 -1.244 67 1HD1 ILE 8 HMD ILE 8 -4.205 5.478 -2.409 68 2HD1 ILE 8 HMD ILE 8 -3.586 4.308 -3.604 69 3HD1 ILE 8 HMD ILE 8 -4.181 5.900 -4.143 70 H GLY 9 HN GLY 9 -9.366 6.623 -3.158 71 1HA GLY 9 HAR GLY 9 -10.262 7.162 -0.633 72 2HA GLY 9 HAS GLY 9 -11.056 7.789 -2.103 73 H ARG 10 HN ARG 10 -11.824 5.147 -3.085 74 HA ARG 10 HA ARG 10 -14.301 4.979 -1.613 75 1HB ARG 10 HBR ARG 10 -15.082 3.568 -3.370 76 2HB ARG 10 HBS ARG 10 -14.163 4.917 -4.094 77 1HG ARG 10 HGS ARG 10 -12.489 3.552 -4.864 78 2HG ARG 10 HGR ARG 10 -12.739 2.330 -3.584 79 1HD ARG 10 HDS ARG 10 -15.080 2.611 -5.250 80 2HD ARG 10 HDR ARG 10 -13.627 2.247 -6.223 81 HE ARG 10 HE ARG 10 -13.547 0.137 -5.268 82 1HH1 ARG 10 HH1 ARG 10 -16.037 2.071 -3.694 83 2HH1 ARG 10 HH1 ARG 10 -16.565 0.768 -2.684 84 1HH2 ARG 10 HH2 ARG 10 -14.178 -1.506 -3.841 85 2HH2 ARG 10 HH2 ARG 10 -15.514 -1.258 -2.766 86 H ILE 11 HN ILE 11 -11.371 3.088 -1.811 87 HA ILE 11 HA ILE 11 -12.251 0.826 -0.324 88 HB ILE 11 HB ILE 11 -9.527 2.206 -0.470 89 1HG1 ILE 11 HG1 ILE 11 -10.784 -0.121 -1.963 90 2HG1 ILE 11 HG1 ILE 11 -10.249 1.452 -2.619 91 1HG2 ILE 11 HMG ILE 11 -10.216 0.448 1.487 92 2HG2 ILE 11 HMG ILE 11 -9.599 -0.651 0.224 93 3HG2 ILE 11 HMG ILE 11 -8.569 0.668 0.841 94 1HD1 ILE 11 HMD ILE 11 -7.933 0.482 -1.523 95 2HD1 ILE 11 HMD ILE 11 -8.727 -1.010 -2.096 96 3HD1 ILE 11 HMD ILE 11 -8.409 0.326 -3.235 97 H ILE 12 HN ILE 12 -11.018 4.021 0.674 98 HA ILE 12 HA ILE 12 -10.900 3.428 3.483 99 HB ILE 12 HB ILE 12 -11.240 6.176 2.199 100 1HG1 ILE 12 HG1 ILE 12 -9.519 4.995 0.965 101 2HG1 ILE 12 HG1 ILE 12 -8.788 6.273 1.975 102 1HG2 ILE 12 HMG ILE 12 -11.343 5.892 4.721 103 2HG2 ILE 12 HMG ILE 12 -9.615 5.461 4.636 104 3HG2 ILE 12 HMG ILE 12 -10.163 7.067 4.085 105 1HD1 ILE 12 HMD ILE 12 -8.831 3.308 2.620 106 2HD1 ILE 12 HMD ILE 12 -7.442 4.224 1.976 107 3HD1 ILE 12 HMD ILE 12 -8.077 4.593 3.603 108 H LYS 13 HN LYS 13 -13.342 4.845 1.323 109 HA LYS 13 HA LYS 13 -15.242 5.528 3.410 110 1HB LYS 13 HBS LYS 13 -15.107 6.332 0.906 111 2HB LYS 13 HBR LYS 13 -16.050 4.846 0.600 112 1HG LYS 13 HGR LYS 13 -17.942 5.719 1.473 113 2HG LYS 13 HGS LYS 13 -17.074 6.507 2.822 114 1HD LYS 13 HDS LYS 13 -17.952 8.280 1.639 115 2HD LYS 13 HDR LYS 13 -16.271 8.211 1.191 116 1HE LYS 13 HES LYS 13 -17.983 8.614 -0.662 117 2HE LYS 13 HER LYS 13 -16.684 7.419 -0.930 118 1HZ LYS 13 HZA LYS 13 -19.187 6.482 0.185 119 2HZ LYS 13 HZB LYS 13 -19.166 6.865 -1.402 120 3HZ LYS 13 HZC LYS 13 -18.146 5.728 -0.825 121 H ASP 14 HN ASP 14 -14.604 2.760 1.270 122 HA ASP 14 HA ASP 14 -16.657 1.153 2.004 123 1HB ASP 14 HBS ASP 14 -14.941 0.724 0.250 124 2HB ASP 14 HBR ASP 14 -13.865 0.121 1.545 125 H ALA 15 HN ALA 15 -13.636 1.640 3.767 126 HA ALA 15 HA ALA 15 -14.143 0.038 6.021 127 1HB ALA 15 HMB ALA 15 -12.431 2.257 5.289 128 2HB ALA 15 HMB ALA 15 -13.003 2.404 6.970 129 3HB ALA 15 HMB ALA 15 -12.157 0.927 6.443 130 H GLY 16 HN GLY 16 -15.199 3.358 5.262 131 1HA GLY 16 HAR GLY 16 -17.520 3.794 6.052 132 2HA GLY 16 HAS GLY 16 -16.964 3.314 7.677 133 H ALA 17 HN ALA 17 -14.643 4.991 5.774 134 HA ALA 17 HA ALA 17 -14.495 7.309 7.323 135 1HB ALA 17 HMB ALA 17 -13.058 6.242 5.288 136 2HB ALA 17 HMB ALA 17 -13.826 7.621 4.463 137 3HB ALA 17 HMB ALA 17 -12.843 7.893 5.924 138 H GLU 18 HN GLU 18 -14.801 9.566 6.427 139 HA GLU 18 HA GLU 18 -17.239 9.804 4.733 140 1HB GLU 18 HBR GLU 18 -16.574 11.040 7.367 141 2HB GLU 18 HBS GLU 18 -17.210 12.051 6.187 142 1HG GLU 18 HGS GLU 18 -19.280 11.376 6.386 143 2HG GLU 18 HGR GLU 18 -18.861 9.649 6.222 144 H ARG 19 HN ARG 19 -14.531 11.660 6.193 145 HA ARG 19 HA ARG 19 -14.208 13.072 3.585 146 1HB ARG 19 HBR ARG 19 -13.925 14.239 6.372 147 2HB ARG 19 HBS ARG 19 -13.698 15.095 4.819 148 1HG ARG 19 HGS ARG 19 -16.324 13.800 5.081 149 2HG ARG 19 HGR ARG 19 -16.011 15.050 6.319 150 1HD ARG 19 HDS ARG 19 -15.268 16.539 4.417 151 2HD ARG 19 HDR ARG 19 -15.967 15.316 3.320 152 HE ARG 19 HE ARG 19 -18.054 16.123 3.843 153 1HH1 ARG 19 HH1 ARG 19 -15.932 16.843 6.565 154 2HH1 ARG 19 HH1 ARG 19 -17.075 17.904 7.316 155 1HH2 ARG 19 HH2 ARG 19 -19.473 17.617 4.789 156 2HH2 ARG 19 HH2 ARG 19 -19.080 18.342 6.313 157 H VAL 20 HN VAL 20 -12.411 12.249 2.763 158 HA VAL 20 HA VAL 20 -9.959 12.493 4.427 159 HB VAL 20 HB VAL 20 -10.407 10.656 2.064 160 1HG1 VAL 20 HMG VAL 20 -8.041 11.716 2.591 161 2HG1 VAL 20 HMG VAL 20 -8.008 10.438 3.829 162 3HG1 VAL 20 HMG VAL 20 -8.220 10.011 2.114 163 1HG2 VAL 20 HMG VAL 20 -11.576 9.855 4.035 164 2HG2 VAL 20 HMG VAL 20 -10.171 8.823 3.674 165 3HG2 VAL 20 HMG VAL 20 -10.090 10.004 5.004 166 H SER 21 HN SER 21 -9.090 14.364 4.022 167 HA SER 21 HA SER 21 -9.719 15.946 1.684 168 1HB SER 21 HBS SER 21 -8.655 16.438 4.220 169 2HB SER 21 HBR SER 21 -7.330 16.800 3.077 170 HG SER 21 HG SER 21 -8.208 18.569 2.610 171 H ASP 22 HN ASP 22 -7.893 16.897 0.384 172 HA ASP 22 HA ASP 22 -7.002 14.791 -1.221 173 1HB ASP 22 HBR ASP 22 -5.773 17.514 -1.424 174 2HB ASP 22 HBS ASP 22 -6.208 16.346 -2.704 175 H ASP 23 HN ASP 23 -5.420 16.457 1.399 176 HA ASP 23 HA ASP 23 -2.820 15.442 1.032 177 1HB ASP 23 HBS ASP 23 -4.062 17.048 2.877 178 2HB ASP 23 HBR ASP 23 -3.618 15.597 3.825 179 H ALA 24 HN ALA 24 -5.314 14.138 3.250 180 HA ALA 24 HA ALA 24 -3.855 11.914 3.957 181 1HB ALA 24 HMB ALA 24 -6.782 12.563 3.988 182 2HB ALA 24 HMB ALA 24 -6.228 10.934 4.457 183 3HB ALA 24 HMB ALA 24 -5.635 12.366 5.337 184 H ARG 25 HN ARG 25 -6.327 12.153 1.393 185 HA ARG 25 HA ARG 25 -6.322 9.534 0.545 186 1HB ARG 25 HBR ARG 25 -6.554 11.997 -1.215 187 2HB ARG 25 HBS ARG 25 -7.065 10.339 -1.645 188 1HG ARG 25 HGS ARG 25 -8.680 10.414 0.264 189 2HG ARG 25 HGR ARG 25 -8.242 12.129 0.505 190 1HD ARG 25 HDS ARG 25 -9.345 10.942 -2.042 191 2HD ARG 25 HDR ARG 25 -10.296 11.819 -0.810 192 HE ARG 25 HE ARG 25 -8.013 13.128 -2.194 193 1HH1 ARG 25 HH1 ARG 25 -11.486 12.891 -1.632 194 2HH1 ARG 25 HH1 ARG 25 -11.788 14.522 -2.130 195 1HH2 ARG 25 HH2 ARG 25 -8.431 15.294 -2.716 196 2HH2 ARG 25 HH2 ARG 25 -10.060 15.882 -2.746 197 H ILE 26 HN ILE 26 -4.135 12.153 -0.487 198 HA ILE 26 HA ILE 26 -2.487 10.441 -2.105 199 HB ILE 26 HB ILE 26 -1.927 13.173 -0.848 200 1HG1 ILE 26 HG1 ILE 26 -3.928 12.951 -2.373 201 2HG1 ILE 26 HG1 ILE 26 -2.704 14.158 -2.862 202 1HG2 ILE 26 HMG ILE 26 -0.246 11.403 -2.446 203 2HG2 ILE 26 HMG ILE 26 -0.441 13.023 -3.165 204 3HG2 ILE 26 HMG ILE 26 0.175 12.855 -1.500 205 1HD1 ILE 26 HMD ILE 26 -2.985 11.373 -4.030 206 2HD1 ILE 26 HMD ILE 26 -3.593 12.877 -4.772 207 3HD1 ILE 26 HMD ILE 26 -1.840 12.638 -4.550 208 H THR 27 HN THR 27 -2.714 11.140 1.289 209 HA THR 27 HA THR 27 0.034 10.692 1.928 210 HB THR 27 HB THR 27 -2.477 10.787 3.691 211 HG1 THR 27 HG1 THR 27 -2.119 12.596 3.864 212 1HG2 THR 27 HMG THR 27 -0.071 9.700 4.497 213 2HG2 THR 27 HMG THR 27 0.054 11.401 5.013 214 3HG2 THR 27 HMG THR 27 -1.319 10.403 5.556 215 H LEU 28 HN LEU 28 -2.905 8.704 2.359 216 HA LEU 28 HA LEU 28 -1.629 6.238 2.989 217 1HB LEU 28 HBR LEU 28 -4.145 7.152 2.833 218 2HB LEU 28 HBS LEU 28 -4.043 6.354 1.243 219 HG LEU 28 HG LEU 28 -3.843 4.229 2.163 220 1HD1 LEU 28 HMD LEU 28 -3.091 5.637 4.726 221 2HD1 LEU 28 HMD LEU 28 -3.695 3.962 4.718 222 3HD1 LEU 28 HMD LEU 28 -2.207 4.377 3.830 223 1HD2 LEU 28 HMD LEU 28 -6.008 5.709 2.564 224 2HD2 LEU 28 HMD LEU 28 -5.881 4.037 3.171 225 3HD2 LEU 28 HMD LEU 28 -5.600 5.408 4.274 226 H ALA 29 HN ALA 29 -2.769 7.530 -0.148 227 HA ALA 29 HA ALA 29 -1.670 5.682 -1.789 228 1HB ALA 29 HMB ALA 29 -3.134 7.508 -2.509 229 2HB ALA 29 HMB ALA 29 -1.781 8.657 -2.355 230 3HB ALA 29 HMB ALA 29 -1.703 7.346 -3.560 231 H LYS 30 HN LYS 30 0.062 8.149 -0.053 232 HA LYS 30 HA LYS 30 2.538 7.614 -1.512 233 1HB LYS 30 HBR LYS 30 1.836 9.898 -0.719 234 2HB LYS 30 HBS LYS 30 2.124 9.333 0.951 235 1HG LYS 30 HGR LYS 30 4.039 10.614 0.103 236 2HG LYS 30 HGS LYS 30 4.487 8.911 0.408 237 1HD LYS 30 HDS LYS 30 3.783 8.733 -2.178 238 2HD LYS 30 HDR LYS 30 4.265 10.407 -2.136 239 1HE LYS 30 HES LYS 30 6.388 9.478 -0.897 240 2HE LYS 30 HER LYS 30 5.902 7.967 -1.717 241 1HZ LYS 30 HZB LYS 30 5.853 10.245 -3.415 242 2HZ LYS 30 HZC LYS 30 7.342 9.947 -2.816 243 3HZ LYS 30 HZA LYS 30 6.550 8.786 -3.647 244 H ILE 31 HN ILE 31 1.010 6.755 1.522 245 HA ILE 31 HA ILE 31 3.238 5.344 2.694 246 HB ILE 31 HB ILE 31 0.220 5.335 2.984 247 1HG1 ILE 31 HG1 ILE 31 1.754 5.594 5.414 248 2HG1 ILE 31 HG1 ILE 31 2.424 6.670 4.154 249 1HG2 ILE 31 HMG ILE 31 1.786 3.011 3.515 250 2HG2 ILE 31 HMG ILE 31 1.286 3.732 5.067 251 3HG2 ILE 31 HMG ILE 31 0.059 3.313 3.843 252 1HD1 ILE 31 HMD ILE 31 -0.496 6.762 4.286 253 2HD1 ILE 31 HMD ILE 31 0.283 7.230 5.820 254 3HD1 ILE 31 HMD ILE 31 0.700 8.085 4.312 255 H LEU 32 HN LEU 32 0.325 4.010 1.092 256 HA LEU 32 HA LEU 32 1.314 1.485 0.831 257 1HB LEU 32 HBR LEU 32 -0.760 3.037 -0.716 258 2HB LEU 32 HBS LEU 32 -0.467 1.299 -1.009 259 HG LEU 32 HG LEU 32 -0.882 1.095 1.567 260 1HD1 LEU 32 HMD LEU 32 -2.226 3.712 0.835 261 2HD1 LEU 32 HMD LEU 32 -2.672 2.725 2.249 262 3HD1 LEU 32 HMD LEU 32 -1.035 3.420 2.128 263 1HD2 LEU 32 HMD LEU 32 -2.335 0.733 -0.773 264 2HD2 LEU 32 HMD LEU 32 -2.756 0.111 0.843 265 3HD2 LEU 32 HMD LEU 32 -3.444 1.653 0.276 266 H GLU 33 HN GLU 33 1.647 4.138 -1.490 267 HA GLU 33 HA GLU 33 2.812 2.688 -3.609 268 1HB GLU 33 HBR GLU 33 2.889 5.517 -2.616 269 2HB GLU 33 HBS GLU 33 4.018 5.038 -3.761 270 1HG GLU 33 HGS GLU 33 2.226 4.136 -5.241 271 2HG GLU 33 HGR GLU 33 1.005 4.934 -4.213 272 H GLU 34 HN GLU 34 4.401 4.507 -0.952 273 HA GLU 34 HA GLU 34 7.092 3.960 -1.863 274 1HB GLU 34 HBS GLU 34 6.465 5.847 -0.575 275 2HB GLU 34 HBR GLU 34 5.812 4.950 0.683 276 1HG GLU 34 HGS GLU 34 7.837 5.200 1.689 277 2HG GLU 34 HGR GLU 34 8.497 4.002 0.544 278 H MET 35 HN MET 35 4.683 2.284 0.005 279 HA MET 35 HA MET 35 6.377 0.099 0.874 280 1HB MET 35 HBR MET 35 3.637 0.807 1.091 281 2HB MET 35 HBS MET 35 3.712 -0.744 0.217 282 1HG MET 35 HGS MET 35 3.674 -1.417 2.484 283 2HG MET 35 HGR MET 35 5.397 -1.478 2.046 284 1HE MET 35 HME MET 35 7.051 -0.318 2.773 285 2HE MET 35 HME MET 35 6.894 1.455 2.708 286 3HE MET 35 HME MET 35 7.139 0.639 4.272 287 H GLY 36 HN GLY 36 4.183 0.636 -1.907 288 1HA GLY 36 HAR GLY 36 4.559 -1.804 -3.106 289 2HA GLY 36 HAS GLY 36 4.092 -0.329 -3.998 290 H ARG 37 HN ARG 37 6.409 1.196 -3.679 291 HA ARG 37 HA ARG 37 8.168 0.126 -5.703 292 1HB ARG 37 HBS ARG 37 7.685 2.619 -4.850 293 2HB ARG 37 HBR ARG 37 9.111 2.252 -3.838 294 1HG ARG 37 HGS ARG 37 10.538 2.325 -5.589 295 2HG ARG 37 HGR ARG 37 9.370 1.573 -6.712 296 1HD ARG 37 HDS ARG 37 9.844 3.837 -7.381 297 2HD ARG 37 HDR ARG 37 8.149 3.689 -6.834 298 HE ARG 37 HE ARG 37 8.610 5.195 -5.157 299 1HH1 ARG 37 HH1 ARG 37 11.653 4.102 -6.563 300 2HH1 ARG 37 HH1 ARG 37 12.618 5.087 -5.515 301 1HH2 ARG 37 HH2 ARG 37 9.909 6.369 -3.715 302 2HH2 ARG 37 HH2 ARG 37 11.631 6.372 -3.904 303 H ASP 38 HN ASP 38 8.289 0.492 -2.157 304 HA ASP 38 HA ASP 38 10.852 -0.498 -1.804 305 1HB ASP 38 HBR ASP 38 8.477 -0.245 -0.026 306 2HB ASP 38 HBS ASP 38 9.896 -1.175 0.537 307 H ILE 39 HN ILE 39 7.787 -2.327 -1.697 308 HA ILE 39 HA ILE 39 9.045 -4.826 -0.987 309 HB ILE 39 HB ILE 39 6.349 -4.479 -2.373 310 1HG1 ILE 39 HG1 ILE 39 6.522 -4.472 0.621 311 2HG1 ILE 39 HG1 ILE 39 6.938 -2.969 -0.246 312 1HG2 ILE 39 HMG ILE 39 7.246 -6.777 -2.043 313 2HG2 ILE 39 HMG ILE 39 7.206 -6.489 -0.284 314 3HG2 ILE 39 HMG ILE 39 5.692 -6.465 -1.227 315 1HD1 ILE 39 HMD ILE 39 4.703 -3.162 -1.414 316 2HD1 ILE 39 HMD ILE 39 4.315 -4.474 -0.269 317 3HD1 ILE 39 HMD ILE 39 4.639 -2.828 0.338 318 H ALA 40 HN ALA 40 8.381 -3.096 -3.960 319 HA ALA 40 HA ALA 40 8.591 -5.239 -5.772 320 1HB ALA 40 HMB ALA 40 7.797 -2.879 -6.215 321 2HB ALA 40 HMB ALA 40 9.514 -2.407 -6.300 322 3HB ALA 40 HMB ALA 40 8.860 -3.596 -7.455 323 H SER 41 HN SER 41 11.108 -2.830 -4.912 324 HA SER 41 HA SER 41 13.046 -4.264 -6.500 325 1HB SER 41 HBS SER 41 12.743 -1.631 -5.425 326 2HB SER 41 HBR SER 41 14.338 -2.278 -4.940 327 HG SER 41 HG SER 41 13.707 -1.101 -7.155 328 H GLU 42 HN GLU 42 12.039 -4.386 -3.234 329 HA GLU 42 HA GLU 42 14.461 -5.718 -2.236 330 1HB GLU 42 HBS GLU 42 12.042 -4.619 -1.300 331 2HB GLU 42 HBR GLU 42 11.979 -6.228 -0.832 332 1HG GLU 42 HGR GLU 42 13.976 -4.044 -0.038 333 2HG GLU 42 HGS GLU 42 12.987 -5.113 0.994 334 H ALA 43 HN ALA 43 11.188 -6.552 -3.393 335 HA ALA 43 HA ALA 43 11.458 -9.415 -3.007 336 1HB ALA 43 HMB ALA 43 9.291 -8.195 -3.153 337 2HB ALA 43 HMB ALA 43 9.630 -7.881 -4.873 338 3HB ALA 43 HMB ALA 43 9.439 -9.555 -4.294 339 H ILE 44 HN ILE 44 12.020 -7.074 -5.614 340 HA ILE 44 HA ILE 44 13.039 -8.934 -7.555 341 HB ILE 44 HB ILE 44 13.365 -5.946 -7.057 342 1HG1 ILE 44 HG1 ILE 44 12.099 -7.328 -9.431 343 2HG1 ILE 44 HG1 ILE 44 11.219 -7.111 -7.891 344 1HG2 ILE 44 HMG ILE 44 15.447 -6.911 -8.136 345 2HG2 ILE 44 HMG ILE 44 14.413 -7.320 -9.530 346 3HG2 ILE 44 HMG ILE 44 14.602 -5.619 -9.028 347 1HD1 ILE 44 HMD ILE 44 11.845 -4.611 -8.148 348 2HD1 ILE 44 HMD ILE 44 12.173 -5.032 -9.851 349 3HD1 ILE 44 HMD ILE 44 10.544 -5.281 -9.168 350 H LYS 45 HN LYS 45 14.623 -6.834 -5.114 351 HA LYS 45 HA LYS 45 17.203 -7.882 -5.346 352 1HB LYS 45 HBS LYS 45 16.656 -5.873 -4.043 353 2HB LYS 45 HBR LYS 45 15.841 -6.889 -2.819 354 1HG LYS 45 HGR LYS 45 17.980 -6.405 -1.924 355 2HG LYS 45 HGS LYS 45 18.089 -8.081 -2.533 356 1HD LYS 45 HDS LYS 45 18.839 -6.508 -4.699 357 2HD LYS 45 HDR LYS 45 19.534 -5.690 -3.327 358 1HE LYS 45 HES LYS 45 20.238 -8.199 -2.693 359 2HE LYS 45 HER LYS 45 20.175 -8.324 -4.473 360 1HZ LYS 45 HZC LYS 45 21.545 -6.199 -4.370 361 2HZ LYS 45 HZA LYS 45 21.871 -6.617 -2.824 362 3HZ LYS 45 HZB LYS 45 22.294 -7.614 -4.047 363 H LEU 46 HN LEU 46 14.356 -9.352 -4.116 364 HA LEU 46 HA LEU 46 15.754 -11.164 -2.331 365 1HB LEU 46 HBR LEU 46 12.984 -10.368 -3.023 366 2HB LEU 46 HBS LEU 46 13.192 -12.043 -2.437 367 HG LEU 46 HG LEU 46 14.382 -9.796 -0.859 368 1HD1 LEU 46 HMD LEU 46 11.479 -10.338 -1.289 369 2HD1 LEU 46 HMD LEU 46 12.026 -10.048 0.382 370 3HD1 LEU 46 HMD LEU 46 12.317 -8.821 -0.875 371 1HD2 LEU 46 HMD LEU 46 13.288 -12.574 -0.435 372 2HD2 LEU 46 HMD LEU 46 14.901 -11.922 -0.047 373 3HD2 LEU 46 HMD LEU 46 13.488 -11.449 0.933 374 H ALA 47 HN ALA 47 14.180 -11.320 -5.502 375 HA ALA 47 HA ALA 47 14.635 -14.058 -6.075 376 1HB ALA 47 HMB ALA 47 14.602 -11.604 -7.848 377 2HB ALA 47 HMB ALA 47 14.667 -13.282 -8.444 378 3HB ALA 47 HMB ALA 47 13.261 -12.725 -7.503 379 H ARG 48 HN ARG 48 16.673 -11.167 -6.635 380 HA ARG 48 HA ARG 48 18.789 -12.468 -7.879 381 1HB ARG 48 HBR ARG 48 18.872 -10.007 -6.102 382 2HB ARG 48 HBS ARG 48 20.194 -10.555 -7.174 383 1HG ARG 48 HGS ARG 48 17.876 -10.408 -8.783 384 2HG ARG 48 HGR ARG 48 17.888 -8.929 -7.781 385 1HD ARG 48 HDS ARG 48 19.403 -8.067 -9.118 386 2HD ARG 48 HDR ARG 48 20.535 -9.361 -8.634 387 HE ARG 48 HE ARG 48 18.666 -10.146 -10.719 388 1HH1 ARG 48 HH1 ARG 48 21.655 -8.362 -10.157 389 2HH1 ARG 48 HH1 ARG 48 22.344 -8.823 -11.677 390 1HH2 ARG 48 HH2 ARG 48 19.651 -10.831 -12.642 391 2HH2 ARG 48 HH2 ARG 48 21.210 -10.218 -13.086 392 H HIS 49 HN HIS 49 18.477 -11.625 -4.411 393 HA HIS 49 HA HIS 49 20.871 -12.794 -3.571 394 1HB HIS 49 HBS HIS 49 19.137 -11.323 -2.226 395 2HB HIS 49 HBR HIS 49 18.475 -12.912 -1.741 396 HD1 HIS 49 HD1 HIS 49 22.187 -11.971 -2.131 397 HD2 HIS 49 HD2 HIS 49 19.436 -13.097 0.786 398 HE1 HIS 49 HE1 HIS 49 23.473 -12.179 0.010 399 HE2 HIS 49 HE2 HIS 49 21.809 -12.838 1.784 400 H ALA 50 HN ALA 50 17.677 -14.224 -4.062 401 HA ALA 50 HA ALA 50 18.291 -16.888 -3.187 402 1HB ALA 50 HMB ALA 50 16.078 -15.583 -4.146 403 2HB ALA 50 HMB ALA 50 16.537 -16.616 -5.524 404 3HB ALA 50 HMB ALA 50 16.234 -17.344 -3.926 405 H GLY 51 HN GLY 51 18.598 -15.163 -6.296 406 1HA GLY 51 HAR GLY 51 20.553 -15.871 -7.663 407 2HA GLY 51 HAS GLY 51 19.997 -17.551 -7.435 408 H ARG 52 HN ARG 52 17.586 -15.082 -7.781 409 HA ARG 52 HA ARG 52 16.319 -14.267 -9.498 410 1HB ARG 52 HBR ARG 52 18.965 -14.597 -10.590 411 2HB ARG 52 HBS ARG 52 17.742 -14.987 -11.834 412 1HG ARG 52 HGS ARG 52 17.460 -12.475 -10.208 413 2HG ARG 52 HGR ARG 52 18.634 -12.533 -11.554 414 1HD ARG 52 HDS ARG 52 16.456 -13.636 -12.718 415 2HD ARG 52 HDR ARG 52 15.691 -12.498 -11.573 416 HE ARG 52 HE ARG 52 17.399 -11.817 -13.873 417 1HH1 ARG 52 HH1 ARG 52 15.925 -10.676 -10.880 418 2HH1 ARG 52 HH1 ARG 52 15.793 -9.042 -11.440 419 1HH2 ARG 52 HH2 ARG 52 17.092 -9.698 -14.618 420 2HH2 ARG 52 HH2 ARG 52 16.454 -8.488 -13.554 421 H LYS 53 HN LYS 53 14.602 -15.616 -9.338 422 HA LYS 53 HA LYS 53 14.188 -17.089 -11.778 423 1HB LYS 53 HBR LYS 53 13.499 -18.619 -9.265 424 2HB LYS 53 HBS LYS 53 13.478 -19.169 -10.965 425 1HG LYS 53 HGR LYS 53 15.932 -19.083 -11.035 426 2HG LYS 53 HGS LYS 53 15.969 -18.498 -9.346 427 1HD LYS 53 HDS LYS 53 14.967 -21.183 -10.297 428 2HD LYS 53 HDR LYS 53 16.492 -20.855 -9.522 429 1HE LYS 53 HES LYS 53 13.817 -20.327 -8.235 430 2HE LYS 53 HER LYS 53 14.799 -21.802 -8.012 431 1HZ LYS 53 HZC LYS 53 16.111 -19.273 -7.560 432 2HZ LYS 53 HZA LYS 53 15.001 -19.723 -6.449 433 3HZ LYS 53 HZB LYS 53 16.275 -20.694 -6.769 434 H THR 54 HN THR 54 12.867 -15.224 -11.988 435 HA THR 54 HA THR 54 10.865 -14.138 -12.013 436 HB THR 54 HB THR 54 9.779 -16.696 -10.708 437 HG1 THR 54 HG1 THR 54 10.887 -17.229 -12.144 438 1HG2 THR 54 HMG THR 54 8.501 -14.475 -12.284 439 2HG2 THR 54 HMG THR 54 7.812 -16.119 -12.286 440 3HG2 THR 54 HMG THR 54 7.980 -15.224 -10.753 441 H ILE 55 HN ILE 55 9.042 -13.295 -10.687 442 HA ILE 55 HA ILE 55 9.619 -13.350 -7.765 443 HB ILE 55 HB ILE 55 8.653 -10.983 -9.442 444 1HG1 ILE 55 HG1 ILE 55 11.146 -11.281 -7.724 445 2HG1 ILE 55 HG1 ILE 55 11.092 -11.547 -9.490 446 1HG2 ILE 55 HMG ILE 55 8.901 -11.231 -6.437 447 2HG2 ILE 55 HMG ILE 55 8.687 -9.695 -7.321 448 3HG2 ILE 55 HMG ILE 55 7.418 -10.947 -7.388 449 1HD1 ILE 55 HMD ILE 55 9.978 -9.039 -9.217 450 2HD1 ILE 55 HMD ILE 55 11.240 -9.056 -7.957 451 3HD1 ILE 55 HMD ILE 55 11.670 -9.394 -9.654 452 H LYS 56 HN LYS 56 7.849 -13.430 -6.412 453 HA LYS 56 HA LYS 56 5.168 -13.910 -7.533 454 1HB LYS 56 HBR LYS 56 5.298 -16.196 -6.235 455 2HB LYS 56 HBS LYS 56 5.809 -16.061 -7.943 456 1HG LYS 56 HGR LYS 56 8.108 -15.490 -6.400 457 2HG LYS 56 HGS LYS 56 7.330 -16.897 -5.619 458 1HD LYS 56 HDS LYS 56 7.338 -17.203 -8.486 459 2HD LYS 56 HDR LYS 56 8.942 -16.828 -7.919 460 1HE LYS 56 HES LYS 56 7.201 -19.091 -6.948 461 2HE LYS 56 HER LYS 56 8.657 -19.197 -7.980 462 1HZ LYS 56 HZC LYS 56 9.648 -17.931 -5.933 463 2HZ LYS 56 HZA LYS 56 8.454 -18.714 -5.138 464 3HZ LYS 56 HZB LYS 56 9.569 -19.562 -5.979 465 H ALA 57 HN ALA 57 3.878 -15.047 -5.598 466 HA ALA 57 HA ALA 57 3.525 -12.894 -3.834 467 1HB ALA 57 HMB ALA 57 2.499 -15.739 -3.617 468 2HB ALA 57 HMB ALA 57 1.868 -14.324 -2.737 469 3HB ALA 57 HMB ALA 57 1.737 -14.399 -4.513 470 H GLU 58 HN GLU 58 5.558 -15.686 -3.613 471 HA GLU 58 HA GLU 58 6.093 -15.666 -0.771 472 1HB GLU 58 HBS GLU 58 7.673 -16.390 -3.201 473 2HB GLU 58 HBR GLU 58 8.261 -16.678 -1.656 474 1HG GLU 58 HGS GLU 58 5.609 -17.726 -2.699 475 2HG GLU 58 HGR GLU 58 7.094 -18.693 -2.899 476 H ASP 59 HN ASP 59 8.155 -14.556 -3.487 477 HA ASP 59 HA ASP 59 9.880 -13.176 -1.830 478 1HB ASP 59 HBS ASP 59 9.664 -13.706 -4.598 479 2HB ASP 59 HBR ASP 59 10.014 -11.965 -4.398 480 H ILE 60 HN ILE 60 6.800 -12.201 -2.948 481 HA ILE 60 HA ILE 60 7.299 -9.315 -2.750 482 HB ILE 60 HB ILE 60 4.785 -10.977 -3.255 483 1HG1 ILE 60 HG1 ILE 60 6.603 -10.859 -5.000 484 2HG1 ILE 60 HG1 ILE 60 4.982 -10.320 -5.524 485 1HG2 ILE 60 HMG ILE 60 4.286 -8.837 -2.047 486 2HG2 ILE 60 HMG ILE 60 4.980 -7.967 -3.441 487 3HG2 ILE 60 HMG ILE 60 3.539 -8.995 -3.659 488 1HD1 ILE 60 HMD ILE 60 5.785 -7.948 -5.050 489 2HD1 ILE 60 HMD ILE 60 7.424 -8.641 -4.932 490 3HD1 ILE 60 HMD ILE 60 6.507 -8.777 -6.456 491 H GLU 61 HN GLU 61 5.330 -11.778 -1.044 492 HA GLU 61 HA GLU 61 4.575 -10.013 1.143 493 1HB GLU 61 HBR GLU 61 4.543 -12.983 0.617 494 2HB GLU 61 HBS GLU 61 4.229 -12.356 2.141 495 1HG GLU 61 HGS GLU 61 2.502 -10.797 1.100 496 2HG GLU 61 HGR GLU 61 2.514 -11.875 -0.322 497 H LEU 62 HN LEU 62 7.390 -11.758 0.197 498 HA LEU 62 HA LEU 62 8.523 -11.948 2.898 499 1HB LEU 62 HBR LEU 62 8.893 -13.545 0.954 500 2HB LEU 62 HBS LEU 62 9.915 -12.269 0.234 501 HG LEU 62 HG LEU 62 11.303 -13.917 1.300 502 1HD1 LEU 62 HMD LEU 62 11.635 -11.314 1.602 503 2HD1 LEU 62 HMD LEU 62 11.322 -11.697 3.314 504 3HD1 LEU 62 HMD LEU 62 12.676 -12.479 2.459 505 1HD2 LEU 62 HMD LEU 62 9.224 -13.665 3.370 506 2HD2 LEU 62 HMD LEU 62 10.278 -15.041 2.957 507 3HD2 LEU 62 HMD LEU 62 10.887 -13.736 4.007 508 H ALA 63 HN ALA 63 8.738 -9.908 0.000 509 HA ALA 63 HA ALA 63 10.719 -8.082 1.067 510 1HB ALA 63 HMB ALA 63 8.674 -7.867 -1.157 511 2HB ALA 63 HMB ALA 63 9.866 -6.603 -0.758 512 3HB ALA 63 HMB ALA 63 10.418 -8.208 -1.301 513 H VAL 64 HN VAL 64 7.199 -8.396 1.093 514 HA VAL 64 HA VAL 64 6.647 -5.975 2.569 515 HB VAL 64 HB VAL 64 5.181 -8.560 2.055 516 1HG1 VAL 64 HMG VAL 64 4.531 -6.481 4.059 517 2HG1 VAL 64 HMG VAL 64 3.199 -6.971 2.985 518 3HG1 VAL 64 HMG VAL 64 4.048 -8.190 3.964 519 1HG2 VAL 64 HMG VAL 64 5.151 -5.816 0.917 520 2HG2 VAL 64 HMG VAL 64 4.970 -7.403 0.130 521 3HG2 VAL 64 HMG VAL 64 3.603 -6.691 1.022 522 H ARG 65 HN ARG 65 6.349 -9.345 3.701 523 HA ARG 65 HA ARG 65 6.405 -8.750 6.341 524 1HB ARG 65 HBR ARG 65 7.283 -11.265 4.914 525 2HB ARG 65 HBS ARG 65 7.243 -11.145 6.697 526 1HG ARG 65 HGS ARG 65 4.884 -10.785 4.817 527 2HG ARG 65 HGR ARG 65 5.220 -12.217 5.832 528 1HD ARG 65 HDS ARG 65 4.444 -9.437 6.663 529 2HD ARG 65 HDR ARG 65 3.631 -10.989 7.012 530 HE ARG 65 HE ARG 65 6.329 -10.462 8.125 531 1HH1 ARG 65 HH1 ARG 65 2.852 -10.684 8.664 532 2HH1 ARG 65 HH1 ARG 65 3.027 -11.060 10.345 533 1HH2 ARG 65 HH2 ARG 65 6.521 -11.082 10.297 534 2HH2 ARG 65 HH2 ARG 65 5.103 -11.284 11.271 535 H ARG 66 HN ARG 66 9.121 -8.696 4.249 536 HA ARG 66 HA ARG 66 11.164 -8.755 6.246 537 1HB ARG 66 HBR ARG 66 11.673 -9.022 3.879 538 2HB ARG 66 HBS ARG 66 11.111 -7.358 3.550 539 1HG ARG 66 HGS ARG 66 13.580 -7.569 3.619 540 2HG ARG 66 HGR ARG 66 12.935 -6.433 4.838 541 1HD ARG 66 HDS ARG 66 12.957 -8.491 6.398 542 2HD ARG 66 HDR ARG 66 14.082 -9.178 5.194 543 HE ARG 66 HE ARG 66 15.420 -7.029 5.603 544 1HH1 ARG 66 HH1 ARG 66 13.597 -8.787 8.055 545 2HH1 ARG 66 HH1 ARG 66 14.451 -8.054 9.371 546 1HH2 ARG 66 HH2 ARG 66 16.435 -6.005 7.352 547 2HH2 ARG 66 HH2 ARG 66 16.063 -6.485 8.974 548 H PHE 67 HN PHE 67 9.530 -6.012 4.607 549 HA PHE 67 HA PHE 67 10.352 -3.990 6.407 550 1HB PHE 67 HBR PHE 67 7.602 -4.066 5.109 551 2HB PHE 67 HBS PHE 67 8.543 -2.645 5.645 552 HD1 PHE 67 HD2 PHE 67 11.002 -2.513 4.399 553 HD2 PHE 67 HD1 PHE 67 7.486 -4.426 2.938 554 HE1 PHE 67 HE2 PHE 67 11.950 -2.502 2.115 555 HE2 PHE 67 HE1 PHE 67 8.460 -4.539 0.688 556 HZ PHE 67 HZ PHE 67 10.627 -3.447 0.244 557 H LYS 68 HN LYS 68 7.446 -6.076 6.434 558 HA LYS 68 HA LYS 68 5.872 -6.504 8.053 559 1HB LYS 68 HBS LYS 68 8.213 -6.225 9.594 560 2HB LYS 68 HBR LYS 68 7.003 -5.146 10.344 561 1HG LYS 68 HGR LYS 68 5.556 -7.462 9.864 562 2HG LYS 68 HGS LYS 68 7.170 -8.082 10.318 563 1HD LYS 68 HDS LYS 68 6.055 -7.967 12.331 564 2HD LYS 68 HDR LYS 68 7.093 -6.569 12.298 565 1HE LYS 68 HES LYS 68 4.772 -6.179 13.174 566 2HE LYS 68 HER LYS 68 5.339 -5.083 11.881 567 1HZ LYS 68 HZC LYS 68 4.032 -7.367 10.855 568 2HZ LYS 68 HZA LYS 68 3.055 -6.534 11.865 569 3HZ LYS 68 HZB LYS 68 3.729 -5.787 10.578 570 H LYS 69 HN LYS 69 7.388 -3.500 9.276 571 HA LYS 69 HA LYS 69 4.874 -2.022 9.238 572 1HB LYS 69 HBS LYS 69 6.234 -0.094 9.811 573 2HB LYS 69 HBR LYS 69 6.609 -1.479 10.875 574 1HG LYS 69 HGR LYS 69 8.775 -1.365 10.333 575 2HG LYS 69 HGS LYS 69 8.385 -1.493 8.594 576 1HD LYS 69 HDS LYS 69 8.020 0.901 8.464 577 2HD LYS 69 HDR LYS 69 8.295 1.062 10.177 578 1HE LYS 69 HES LYS 69 10.538 0.903 10.019 579 2HE LYS 69 HER LYS 69 10.454 -0.241 8.649 580 1HZ LYS 69 HZC LYS 69 9.440 2.117 7.734 581 2HZ LYS 69 HZA LYS 69 10.752 2.553 8.603 582 3HZ LYS 69 HZB LYS 69 10.901 1.479 7.381 583 1H MET 1 HNB MET 1 -8.489 -6.818 -8.642 584 2H MET 1 HNC MET 1 -9.087 -8.325 -8.841 585 3H MET 1 HN MET 1 -9.826 -7.053 -9.550 586 HA MET 1 HA MET 1 -11.123 -7.686 -7.736 587 1HB MET 1 HBS MET 1 -8.493 -8.120 -6.586 588 2HB MET 1 HBR MET 1 -9.525 -7.148 -5.500 589 1HG MET 1 HGS MET 1 -11.243 -8.844 -5.492 590 2HG MET 1 HGR MET 1 -10.446 -9.726 -6.818 591 1HE MET 1 HME MET 1 -10.603 -8.493 -3.451 592 2HE MET 1 HME MET 1 -10.346 -10.038 -2.604 593 3HE MET 1 HME MET 1 -9.045 -8.822 -2.652 594 H GLU 2 HN GLU 2 -8.733 -5.555 -6.244 595 HA GLU 2 HA GLU 2 -10.739 -3.368 -6.423 596 1HB GLU 2 HBR GLU 2 -10.122 -4.443 -4.260 597 2HB GLU 2 HBS GLU 2 -8.516 -4.051 -4.543 598 1HG GLU 2 HGS GLU 2 -9.899 -2.526 -2.968 599 2HG GLU 2 HGR GLU 2 -8.688 -1.773 -4.040 600 H LEU 3 HN LEU 3 -7.329 -3.101 -5.507 601 HA LEU 3 HA LEU 3 -6.668 -1.089 -7.397 602 1HB LEU 3 HBR LEU 3 -4.699 -3.009 -6.189 603 2HB LEU 3 HBS LEU 3 -4.522 -1.264 -6.531 604 HG LEU 3 HG LEU 3 -6.105 -2.536 -4.282 605 1HD1 LEU 3 HMD LEU 3 -3.513 -0.992 -4.463 606 2HD1 LEU 3 HMD LEU 3 -4.456 -1.088 -2.955 607 3HD1 LEU 3 HMD LEU 3 -3.821 -2.574 -3.706 608 1HD2 LEU 3 HMD LEU 3 -6.372 -0.011 -5.639 609 2HD2 LEU 3 HMD LEU 3 -7.295 -0.654 -4.258 610 3HD2 LEU 3 HMD LEU 3 -5.794 0.263 -3.977 611 HA PRO 4 HA PRO 4 -5.850 -3.599 -11.018 612 1HB PRO 4 HBR PRO 4 -5.150 -1.450 -12.462 613 2HB PRO 4 HBS PRO 4 -6.639 -2.141 -12.468 614 1HG PRO 4 HGS PRO 4 -5.889 0.280 -11.367 615 2HG PRO 4 HGR PRO 4 -7.430 -0.300 -11.623 616 1HD PRO 4 HDS PRO 4 -6.092 -0.172 -9.236 617 2HD PRO 4 HDR PRO 4 -7.607 -0.781 -9.498 618 H ILE 5 HN ILE 5 -4.078 -4.475 -11.894 619 HA ILE 5 HA ILE 5 -1.655 -3.815 -10.409 620 HB ILE 5 HB ILE 5 -0.780 -5.910 -11.411 621 1HG1 ILE 5 HG1 ILE 5 -3.443 -5.993 -12.884 622 2HG1 ILE 5 HG1 ILE 5 -1.835 -5.700 -13.605 623 1HG2 ILE 5 HMG ILE 5 -2.267 -5.909 -9.361 624 2HG2 ILE 5 HMG ILE 5 -3.581 -6.464 -10.431 625 3HG2 ILE 5 HMG ILE 5 -2.112 -7.456 -10.234 626 1HD1 ILE 5 HMD ILE 5 -1.157 -7.985 -12.862 627 2HD1 ILE 5 HMD ILE 5 -2.838 -8.260 -12.332 628 3HD1 ILE 5 HMD ILE 5 -2.483 -7.967 -14.055 629 H ALA 6 HN ALA 6 -2.813 -2.142 -12.709 630 HA ALA 6 HA ALA 6 -0.604 -2.176 -14.636 631 1HB ALA 6 HMB ALA 6 -3.164 -0.628 -14.308 632 2HB ALA 6 HMB ALA 6 -1.886 -0.061 -15.413 633 3HB ALA 6 HMB ALA 6 -2.628 -1.663 -15.656 634 HA PRO 7 HA PRO 7 0.185 1.996 -12.279 635 1HB PRO 7 HBR PRO 7 -1.199 2.223 -9.993 636 2HB PRO 7 HBS PRO 7 -1.512 3.067 -11.367 637 1HG PRO 7 HGS PRO 7 -2.942 0.935 -10.280 638 2HG PRO 7 HGR PRO 7 -3.455 2.071 -11.391 639 1HD PRO 7 HDS PRO 7 -2.807 -0.480 -11.955 640 2HD PRO 7 HDR PRO 7 -3.011 0.727 -13.066 641 H ILE 8 HN ILE 8 -0.756 -0.532 -10.084 642 HA ILE 8 HA ILE 8 1.434 -0.406 -8.405 643 HB ILE 8 HB ILE 8 -0.181 -2.850 -9.281 644 1HG1 ILE 8 HG1 ILE 8 -0.499 -0.841 -7.024 645 2HG1 ILE 8 HG1 ILE 8 -1.593 -1.122 -8.408 646 1HG2 ILE 8 HMG ILE 8 2.019 -2.585 -7.337 647 2HG2 ILE 8 HMG ILE 8 0.557 -3.410 -6.733 648 3HG2 ILE 8 HMG ILE 8 1.389 -4.018 -8.189 649 1HD1 ILE 8 HMD ILE 8 -1.839 -3.510 -7.430 650 2HD1 ILE 8 HMD ILE 8 -1.175 -2.791 -5.938 651 3HD1 ILE 8 HMD ILE 8 -2.688 -2.155 -6.636 652 H GLY 9 HN GLY 9 1.082 -2.672 -11.164 653 1HA GLY 9 HAR GLY 9 3.570 -3.817 -10.977 654 2HA GLY 9 HAS GLY 9 2.648 -3.716 -12.500 655 H ARG 10 HN ARG 10 2.713 -0.724 -12.387 656 HA ARG 10 HA ARG 10 5.196 -0.421 -13.874 657 1HB ARG 10 HBR ARG 10 2.654 0.920 -13.716 658 2HB ARG 10 HBS ARG 10 3.972 2.101 -13.467 659 1HG ARG 10 HGS ARG 10 5.015 0.987 -15.585 660 2HG ARG 10 HGR ARG 10 3.353 0.395 -15.871 661 1HD ARG 10 HDS ARG 10 3.084 3.089 -15.193 662 2HD ARG 10 HDR ARG 10 4.492 3.009 -16.288 663 HE ARG 10 HE ARG 10 2.432 1.447 -17.409 664 1HH1 ARG 10 HH1 ARG 10 2.820 4.820 -16.463 665 2HH1 ARG 10 HH1 ARG 10 1.925 5.417 -17.819 666 1HH2 ARG 10 HH2 ARG 10 1.377 2.271 -19.238 667 2HH2 ARG 10 HH2 ARG 10 1.107 3.975 -19.389 668 H ILE 11 HN ILE 11 3.968 0.376 -10.692 669 HA ILE 11 HA ILE 11 6.212 2.005 -9.871 670 HB ILE 11 HB ILE 11 4.190 0.332 -8.302 671 1HG1 ILE 11 HG1 ILE 11 4.377 3.326 -8.819 672 2HG1 ILE 11 HG1 ILE 11 3.256 2.188 -9.619 673 1HG2 ILE 11 HMG ILE 11 6.320 2.229 -7.310 674 2HG2 ILE 11 HMG ILE 11 4.891 1.765 -6.350 675 3HG2 ILE 11 HMG ILE 11 6.059 0.522 -6.867 676 1HD1 ILE 11 HMD ILE 11 2.403 1.672 -7.244 677 2HD1 ILE 11 HMD ILE 11 3.255 3.164 -6.766 678 3HD1 ILE 11 HMD ILE 11 1.952 3.232 -7.983 679 H ILE 12 HN ILE 12 5.419 -1.462 -9.846 680 HA ILE 12 HA ILE 12 7.818 -2.265 -8.410 681 HB ILE 12 HB ILE 12 6.069 -3.997 -10.210 682 1HG1 ILE 12 HG1 ILE 12 4.488 -2.904 -8.842 683 2HG1 ILE 12 HG1 ILE 12 4.750 -4.512 -8.109 684 1HG2 ILE 12 HMG ILE 12 8.352 -4.623 -8.843 685 2HG2 ILE 12 HMG ILE 12 7.078 -5.108 -7.693 686 3HG2 ILE 12 HMG ILE 12 7.089 -5.777 -9.347 687 1HD1 ILE 12 HMD ILE 12 6.080 -1.968 -7.139 688 2HD1 ILE 12 HMD ILE 12 4.565 -2.631 -6.472 689 3HD1 ILE 12 HMD ILE 12 6.078 -3.567 -6.351 690 H LYS 13 HN LYS 13 6.752 -1.953 -11.780 691 HA LYS 13 HA LYS 13 9.154 -2.897 -13.036 692 1HB LYS 13 HBR LYS 13 6.808 -1.219 -13.815 693 2HB LYS 13 HBS LYS 13 8.298 -1.077 -14.788 694 1HG LYS 13 HGR LYS 13 7.904 -3.841 -14.475 695 2HG LYS 13 HGS LYS 13 6.272 -3.175 -14.769 696 1HD LYS 13 HDS LYS 13 7.089 -3.712 -16.877 697 2HD LYS 13 HDR LYS 13 7.165 -1.977 -16.732 698 1HE LYS 13 HES LYS 13 9.216 -2.252 -17.593 699 2HE LYS 13 HER LYS 13 9.629 -2.548 -15.881 700 1HZ LYS 13 HZA LYS 13 9.069 -4.946 -16.485 701 2HZ LYS 13 HZB LYS 13 9.285 -4.480 -18.035 702 3HZ LYS 13 HZC LYS 13 10.508 -4.340 -16.962 703 H ASP 14 HN ASP 14 8.008 0.299 -11.930 704 HA ASP 14 HA ASP 14 10.127 1.793 -12.710 705 1HB ASP 14 HBS ASP 14 8.010 2.630 -11.757 706 2HB ASP 14 HBR ASP 14 8.629 2.215 -10.131 707 H ALA 15 HN ALA 15 9.896 -0.144 -9.770 708 HA ALA 15 HA ALA 15 12.409 0.235 -8.676 709 1HB ALA 15 HMB ALA 15 10.326 -1.689 -8.531 710 2HB ALA 15 HMB ALA 15 11.862 -2.569 -8.731 711 3HB ALA 15 HMB ALA 15 11.667 -1.410 -7.391 712 H GLY 16 HN GLY 16 11.512 -1.849 -11.421 713 1HA GLY 16 HAR GLY 16 13.329 -2.215 -13.114 714 2HA GLY 16 HAS GLY 16 14.389 -2.617 -11.738 715 H ALA 17 HN ALA 17 11.129 -3.603 -11.335 716 HA ALA 17 HA ALA 17 11.563 -6.364 -11.488 717 1HB ALA 17 HMB ALA 17 9.569 -4.828 -10.611 718 2HB ALA 17 HMB ALA 17 8.866 -5.309 -12.176 719 3HB ALA 17 HMB ALA 17 9.359 -6.554 -11.000 720 H GLU 18 HN GLU 18 11.129 -7.925 -13.001 721 HA GLU 18 HA GLU 18 9.974 -7.210 -15.574 722 1HB GLU 18 HBR GLU 18 12.503 -6.800 -15.672 723 2HB GLU 18 HBS GLU 18 12.689 -8.444 -15.384 724 1HG GLU 18 HGS GLU 18 10.833 -8.191 -17.534 725 2HG GLU 18 HGR GLU 18 12.308 -7.287 -17.974 726 H ARG 19 HN ARG 19 11.830 -9.721 -13.805 727 HA ARG 19 HA ARG 19 10.251 -11.864 -15.088 728 1HB ARG 19 HBR ARG 19 12.608 -11.889 -13.180 729 2HB ARG 19 HBS ARG 19 11.705 -13.352 -13.670 730 1HG ARG 19 HGS ARG 19 12.413 -13.156 -15.923 731 2HG ARG 19 HGR ARG 19 13.018 -11.494 -15.669 732 1HD ARG 19 HDS ARG 19 14.495 -12.729 -13.848 733 2HD ARG 19 HDR ARG 19 14.212 -14.115 -14.939 734 HE ARG 19 HE ARG 19 15.234 -11.573 -16.065 735 1HH1 ARG 19 HH1 ARG 19 15.925 -14.863 -15.002 736 2HH1 ARG 19 HH1 ARG 19 17.289 -15.033 -16.056 737 1HH2 ARG 19 HH2 ARG 19 16.943 -11.879 -17.522 738 2HH2 ARG 19 HH2 ARG 19 17.866 -13.345 -17.482 739 H VAL 20 HN VAL 20 8.237 -11.248 -14.189 740 HA VAL 20 HA VAL 20 7.910 -11.911 -11.318 741 HB VAL 20 HB VAL 20 6.802 -9.416 -12.617 742 1HG1 VAL 20 HMG VAL 20 6.675 -10.549 -9.839 743 2HG1 VAL 20 HMG VAL 20 6.591 -8.791 -10.102 744 3HG1 VAL 20 HMG VAL 20 5.382 -9.862 -10.851 745 1HG2 VAL 20 HMG VAL 20 9.290 -9.795 -10.954 746 2HG2 VAL 20 HMG VAL 20 9.119 -9.034 -12.554 747 3HG2 VAL 20 HMG VAL 20 8.462 -8.227 -11.111 748 H SER 21 HN SER 21 5.877 -12.581 -10.702 749 HA SER 21 HA SER 21 4.152 -13.482 -12.914 750 1HB SER 21 HBS SER 21 3.137 -14.958 -11.300 751 2HB SER 21 HBR SER 21 4.917 -15.134 -11.268 752 HG SER 21 HG SER 21 4.669 -15.005 -9.224 753 H ASP 22 HN ASP 22 1.940 -13.162 -12.967 754 HA ASP 22 HA ASP 22 0.893 -10.696 -11.942 755 1HB ASP 22 HBS ASP 22 -0.214 -13.017 -13.440 756 2HB ASP 22 HBR ASP 22 -1.337 -11.919 -12.586 757 H ASP 23 HN ASP 23 1.463 -13.768 -10.592 758 HA ASP 23 HA ASP 23 -0.406 -13.671 -8.428 759 1HB ASP 23 HBS ASP 23 0.911 -15.667 -9.136 760 2HB ASP 23 HBR ASP 23 2.338 -14.914 -8.366 761 H ALA 24 HN ALA 24 2.990 -12.591 -8.714 762 HA ALA 24 HA ALA 24 3.172 -11.319 -6.254 763 1HB ALA 24 HMB ALA 24 4.565 -11.143 -8.858 764 2HB ALA 24 HMB ALA 24 4.754 -9.744 -7.772 765 3HB ALA 24 HMB ALA 24 5.204 -11.374 -7.211 766 H ARG 25 HN ARG 25 2.077 -9.970 -9.372 767 HA ARG 25 HA ARG 25 1.911 -7.299 -8.536 768 1HB ARG 25 HBR ARG 25 1.283 -8.804 -10.877 769 2HB ARG 25 HBS ARG 25 -0.134 -7.792 -10.475 770 1HG ARG 25 HGS ARG 25 1.122 -6.444 -11.907 771 2HG ARG 25 HGR ARG 25 1.569 -5.857 -10.280 772 1HD ARG 25 HDS ARG 25 3.534 -6.055 -11.635 773 2HD ARG 25 HDR ARG 25 3.562 -7.293 -10.347 774 HE ARG 25 HE ARG 25 2.529 -8.726 -12.342 775 1HH1 ARG 25 HH1 ARG 25 5.021 -6.250 -12.642 776 2HH1 ARG 25 HH1 ARG 25 5.893 -7.120 -13.860 777 1HH2 ARG 25 HH2 ARG 25 3.766 -9.893 -13.841 778 2HH2 ARG 25 HH2 ARG 25 5.182 -9.181 -14.539 779 H ILE 26 HN ILE 26 -0.416 -9.945 -8.310 780 HA ILE 26 HA ILE 26 -2.432 -8.183 -7.126 781 HB ILE 26 HB ILE 26 -2.440 -11.203 -7.615 782 1HG1 ILE 26 HG1 ILE 26 -3.642 -8.967 -9.294 783 2HG1 ILE 26 HG1 ILE 26 -2.110 -9.815 -9.651 784 1HG2 ILE 26 HMG ILE 26 -4.060 -10.439 -5.900 785 2HG2 ILE 26 HMG ILE 26 -4.796 -9.372 -7.125 786 3HG2 ILE 26 HMG ILE 26 -4.824 -11.140 -7.352 787 1HD1 ILE 26 HMD ILE 26 -4.486 -11.547 -9.277 788 2HD1 ILE 26 HMD ILE 26 -4.503 -10.491 -10.714 789 3HD1 ILE 26 HMD ILE 26 -3.160 -11.639 -10.468 790 H THR 27 HN THR 27 0.126 -10.267 -6.110 791 HA THR 27 HA THR 27 -0.662 -10.680 -3.375 792 HB THR 27 HB THR 27 2.102 -10.479 -4.696 793 HG1 THR 27 HG1 THR 27 2.051 -12.386 -4.738 794 1HG2 THR 27 HMG THR 27 1.380 -11.291 -1.872 795 2HG2 THR 27 HMG THR 27 2.937 -11.661 -2.656 796 3HG2 THR 27 HMG THR 27 2.456 -9.966 -2.385 797 H LEU 28 HN LEU 28 1.613 -8.315 -4.824 798 HA LEU 28 HA LEU 28 1.745 -6.577 -2.684 799 1HB LEU 28 HBR LEU 28 2.743 -6.808 -5.231 800 2HB LEU 28 HBS LEU 28 1.770 -5.320 -5.350 801 HG LEU 28 HG LEU 28 3.130 -4.142 -3.892 802 1HD1 LEU 28 HMD LEU 28 3.539 -6.698 -2.617 803 2HD1 LEU 28 HMD LEU 28 5.106 -5.920 -2.951 804 3HD1 LEU 28 HMD LEU 28 3.866 -5.058 -2.006 805 1HD2 LEU 28 HMD LEU 28 4.161 -4.645 -6.054 806 2HD2 LEU 28 HMD LEU 28 5.385 -4.481 -4.768 807 3HD2 LEU 28 HMD LEU 28 4.925 -6.098 -5.359 808 H ALA 29 HN ALA 29 -0.539 -6.479 -5.426 809 HA ALA 29 HA ALA 29 -1.970 -4.234 -4.704 810 1HB ALA 29 HMB ALA 29 -2.145 -5.840 -6.749 811 2HB ALA 29 HMB ALA 29 -3.416 -6.634 -5.784 812 3HB ALA 29 HMB ALA 29 -3.570 -4.912 -6.214 813 H LYS 30 HN LYS 30 -2.527 -7.593 -3.631 814 HA LYS 30 HA LYS 30 -4.698 -6.849 -1.912 815 1HB LYS 30 HBR LYS 30 -3.183 -9.331 -2.550 816 2HB LYS 30 HBS LYS 30 -3.998 -9.267 -0.962 817 1HG LYS 30 HGR LYS 30 -5.487 -8.565 -3.497 818 2HG LYS 30 HGS LYS 30 -5.272 -10.268 -3.000 819 1HD LYS 30 HDS LYS 30 -6.700 -8.071 -1.513 820 2HD LYS 30 HDR LYS 30 -7.382 -9.492 -2.254 821 1HE LYS 30 HES LYS 30 -5.623 -10.671 -0.580 822 2HE LYS 30 HER LYS 30 -6.027 -9.187 0.329 823 1HZ LYS 30 HZA LYS 30 -8.383 -10.187 -0.645 824 2HZ LYS 30 HZB LYS 30 -7.581 -11.484 -0.061 825 3HZ LYS 30 HZC LYS 30 -7.871 -10.199 0.905 826 H ILE 31 HN ILE 31 -1.272 -6.854 -1.578 827 HA ILE 31 HA ILE 31 -1.076 -6.996 1.306 828 HB ILE 31 HB ILE 31 0.692 -5.925 -0.936 829 1HG1 ILE 31 HG1 ILE 31 1.245 -8.206 0.977 830 2HG1 ILE 31 HG1 ILE 31 0.249 -8.416 -0.493 831 1HG2 ILE 31 HMG ILE 31 0.866 -4.843 1.547 832 2HG2 ILE 31 HMG ILE 31 1.967 -6.237 1.701 833 3HG2 ILE 31 HMG ILE 31 2.231 -5.030 0.416 834 1HD1 ILE 31 HMD ILE 31 2.958 -7.165 -0.752 835 2HD1 ILE 31 HMD ILE 31 2.842 -8.928 -0.501 836 3HD1 ILE 31 HMD ILE 31 2.044 -8.173 -1.906 837 H LEU 32 HN LEU 32 -0.489 -4.173 -0.797 838 HA LEU 32 HA LEU 32 -0.932 -2.286 1.152 839 1HB LEU 32 HBR LEU 32 -1.055 -2.267 -1.855 840 2HB LEU 32 HBS LEU 32 -1.370 -0.778 -0.919 841 HG LEU 32 HG LEU 32 0.859 -0.842 0.011 842 1HD1 LEU 32 HMD LEU 32 1.184 -3.375 -1.631 843 2HD1 LEU 32 HMD LEU 32 2.500 -2.505 -0.803 844 3HD1 LEU 32 HMD LEU 32 1.190 -3.251 0.146 845 1HD2 LEU 32 HMD LEU 32 0.607 -1.180 -2.986 846 2HD2 LEU 32 HMD LEU 32 0.646 0.329 -2.039 847 3HD2 LEU 32 HMD LEU 32 2.118 -0.665 -2.194 848 H GLU 33 HN GLU 33 -3.292 -3.536 -1.212 849 HA GLU 33 HA GLU 33 -5.333 -1.719 -0.658 850 1HB GLU 33 HBR GLU 33 -5.100 -3.360 -2.541 851 2HB GLU 33 HBS GLU 33 -5.447 -4.598 -1.461 852 1HG GLU 33 HGS GLU 33 -7.450 -2.418 -1.616 853 2HG GLU 33 HGR GLU 33 -7.450 -3.598 -2.955 854 H GLU 34 HN GLU 34 -4.649 -4.879 0.848 855 HA GLU 34 HA GLU 34 -6.764 -4.952 2.703 856 1HB GLU 34 HBR GLU 34 -3.951 -5.974 2.565 857 2HB GLU 34 HBS GLU 34 -4.739 -6.003 4.047 858 1HG GLU 34 HGS GLU 34 -6.538 -7.009 2.042 859 2HG GLU 34 HGR GLU 34 -5.053 -7.998 2.057 860 H MET 35 HN MET 35 -3.469 -3.581 3.054 861 HA MET 35 HA MET 35 -3.811 -2.340 5.511 862 1HB MET 35 HBS MET 35 -2.189 -1.252 3.191 863 2HB MET 35 HBR MET 35 -1.968 -0.907 4.930 864 1HG MET 35 HGS MET 35 -1.503 -3.338 5.313 865 2HG MET 35 HGR MET 35 -1.648 -3.606 3.559 866 1HE MET 35 HME MET 35 0.401 -2.979 6.396 867 2HE MET 35 HME MET 35 1.912 -2.184 5.890 868 3HE MET 35 HME MET 35 0.459 -1.207 6.216 869 H GLY 36 HN GLY 36 -4.687 -1.154 2.278 870 1HA GLY 36 HAR GLY 36 -5.227 1.473 2.908 871 2HA GLY 36 HAS GLY 36 -6.046 0.586 1.594 872 H ARG 37 HN ARG 37 -7.494 -1.290 2.994 873 HA ARG 37 HA ARG 37 -9.742 0.051 4.043 874 1HB ARG 37 HBR ARG 37 -8.963 -2.637 3.534 875 2HB ARG 37 HBS ARG 37 -9.525 -2.550 5.228 876 1HG ARG 37 HGS ARG 37 -11.461 -1.118 3.901 877 2HG ARG 37 HGR ARG 37 -11.037 -2.376 2.706 878 1HD ARG 37 HDS ARG 37 -12.458 -3.657 3.827 879 2HD ARG 37 HDR ARG 37 -11.147 -3.800 5.031 880 HE ARG 37 HE ARG 37 -13.527 -2.044 5.228 881 1HH1 ARG 37 HH1 ARG 37 -10.484 -3.140 6.633 882 2HH1 ARG 37 HH1 ARG 37 -10.966 -2.752 8.251 883 1HH2 ARG 37 HH2 ARG 37 -14.171 -1.672 7.369 884 2HH2 ARG 37 HH2 ARG 37 -13.051 -1.920 8.668 885 H ASP 38 HN ASP 38 -7.000 -1.543 5.684 886 HA ASP 38 HA ASP 38 -8.175 -1.221 8.224 887 1HB ASP 38 HBS ASP 38 -6.372 -2.896 7.227 888 2HB ASP 38 HBR ASP 38 -5.268 -1.775 8.074 889 H ILE 39 HN ILE 39 -5.607 0.585 6.584 890 HA ILE 39 HA ILE 39 -5.001 2.352 8.798 891 HB ILE 39 HB ILE 39 -4.673 2.929 5.819 892 1HG1 ILE 39 HG1 ILE 39 -2.551 1.575 7.494 893 2HG1 ILE 39 HG1 ILE 39 -3.810 0.627 6.654 894 1HG2 ILE 39 HMG ILE 39 -4.261 4.797 7.378 895 2HG2 ILE 39 HMG ILE 39 -3.007 3.817 8.183 896 3HG2 ILE 39 HMG ILE 39 -2.803 4.298 6.478 897 1HD1 ILE 39 HMD ILE 39 -2.126 2.641 5.174 898 2HD1 ILE 39 HMD ILE 39 -1.532 0.988 5.489 899 3HD1 ILE 39 HMD ILE 39 -3.023 1.234 4.540 900 H ALA 40 HN ALA 40 -7.476 2.081 6.352 901 HA ALA 40 HA ALA 40 -8.367 4.798 6.308 902 1HB ALA 40 HMB ALA 40 -8.955 3.106 4.611 903 2HB ALA 40 HMB ALA 40 -9.949 2.258 5.823 904 3HB ALA 40 HMB ALA 40 -10.382 3.909 5.314 905 H SER 41 HN SER 41 -9.986 1.969 7.799 906 HA SER 41 HA SER 41 -11.633 3.511 9.517 907 1HB SER 41 HBS SER 41 -11.804 1.023 8.799 908 2HB SER 41 HBR SER 41 -10.772 0.719 10.227 909 HG SER 41 HG SER 41 -12.217 1.805 11.569 910 H GLU 42 HN GLU 42 -8.298 2.778 9.651 911 HA GLU 42 HA GLU 42 -8.054 3.266 12.499 912 1HB GLU 42 HBR GLU 42 -6.312 2.692 10.146 913 2HB GLU 42 HBS GLU 42 -5.611 3.518 11.427 914 1HG GLU 42 HGS GLU 42 -5.489 0.928 11.424 915 2HG GLU 42 HGR GLU 42 -5.705 1.773 12.981 916 H ALA 43 HN ALA 43 -7.399 5.075 9.495 917 HA ALA 43 HA ALA 43 -6.671 7.521 10.867 918 1HB ALA 43 HMB ALA 43 -7.326 6.741 8.039 919 2HB ALA 43 HMB ALA 43 -7.215 8.456 8.511 920 3HB ALA 43 HMB ALA 43 -5.811 7.380 8.727 921 H ILE 44 HN ILE 44 -9.600 5.873 10.164 922 HA ILE 44 HA ILE 44 -11.242 8.257 10.047 923 HB ILE 44 HB ILE 44 -11.808 5.259 10.011 924 1HG1 ILE 44 HG1 ILE 44 -12.289 7.281 7.813 925 2HG1 ILE 44 HG1 ILE 44 -10.679 6.560 8.093 926 1HG2 ILE 44 HMG ILE 44 -13.797 7.524 9.945 927 2HG2 ILE 44 HMG ILE 44 -14.130 5.926 9.228 928 3HG2 ILE 44 HMG ILE 44 -13.790 6.067 10.973 929 1HD1 ILE 44 HMD ILE 44 -12.201 4.322 8.014 930 2HD1 ILE 44 HMD ILE 44 -13.130 5.380 6.919 931 3HD1 ILE 44 HMD ILE 44 -11.411 5.042 6.585 932 H LYS 45 HN LYS 45 -11.028 5.471 12.298 933 HA LYS 45 HA LYS 45 -12.327 6.646 14.505 934 1HB LYS 45 HBR LYS 45 -10.757 4.328 14.014 935 2HB LYS 45 HBS LYS 45 -10.033 5.178 15.409 936 1HG LYS 45 HGR LYS 45 -12.716 5.276 16.015 937 2HG LYS 45 HGS LYS 45 -12.579 3.697 15.190 938 1HD LYS 45 HDS LYS 45 -10.692 4.490 17.391 939 2HD LYS 45 HDR LYS 45 -12.276 3.853 17.738 940 1HE LYS 45 HES LYS 45 -11.243 1.873 17.713 941 2HE LYS 45 HER LYS 45 -11.460 2.027 15.946 942 1HZ LYS 45 HZA LYS 45 -9.170 3.363 16.503 943 2HZ LYS 45 HZB LYS 45 -9.076 2.042 17.457 944 3HZ LYS 45 HZC LYS 45 -9.281 1.872 15.846 945 H LEU 46 HN LEU 46 -9.092 7.094 13.189 946 HA LEU 46 HA LEU 46 -8.071 8.850 15.220 947 1HB LEU 46 HBR LEU 46 -7.464 7.993 12.468 948 2HB LEU 46 HBS LEU 46 -6.969 9.668 12.849 949 HG LEU 46 HG LEU 46 -6.187 7.393 14.652 950 1HD1 LEU 46 HMD LEU 46 -5.021 8.160 11.981 951 2HD1 LEU 46 HMD LEU 46 -3.984 7.527 13.283 952 3HD1 LEU 46 HMD LEU 46 -5.329 6.541 12.658 953 1HD2 LEU 46 HMD LEU 46 -5.980 10.019 14.962 954 2HD2 LEU 46 HMD LEU 46 -4.679 8.915 15.479 955 3HD2 LEU 46 HMD LEU 46 -4.544 9.790 13.933 956 H ALA 47 HN ALA 47 -9.975 9.326 12.241 957 HA ALA 47 HA ALA 47 -9.920 12.178 12.365 958 1HB ALA 47 HMB ALA 47 -10.621 10.291 10.505 959 2HB ALA 47 HMB ALA 47 -12.201 10.971 10.972 960 3HB ALA 47 HMB ALA 47 -10.911 12.044 10.373 961 H ARG 48 HN ARG 48 -11.760 9.784 14.012 962 HA ARG 48 HA ARG 48 -13.918 11.549 14.884 963 1HB ARG 48 HBR ARG 48 -13.485 8.820 14.996 964 2HB ARG 48 HBS ARG 48 -13.179 9.348 16.675 965 1HG ARG 48 HGS ARG 48 -15.415 8.981 16.839 966 2HG ARG 48 HGR ARG 48 -15.471 10.665 16.244 967 1HD ARG 48 HDS ARG 48 -15.317 8.562 14.182 968 2HD ARG 48 HDR ARG 48 -16.821 8.611 15.144 969 HE ARG 48 HE ARG 48 -15.852 10.651 13.266 970 1HH1 ARG 48 HH1 ARG 48 -18.318 9.555 15.536 971 2HH1 ARG 48 HH1 ARG 48 -19.397 10.855 15.160 972 1HH2 ARG 48 HH2 ARG 48 -17.236 12.407 12.894 973 2HH2 ARG 48 HH2 ARG 48 -18.787 12.469 13.663 974 H HIS 49 HN HIS 49 -10.812 10.339 16.169 975 HA HIS 49 HA HIS 49 -10.672 11.955 18.470 976 1HB HIS 49 HBS HIS 49 -9.023 10.132 17.892 977 2HB HIS 49 HBR HIS 49 -8.296 11.248 16.701 978 HD1 HIS 49 HD1 HIS 49 -9.480 12.440 20.121 979 HD2 HIS 49 HD2 HIS 49 -5.944 11.620 18.078 980 HE1 HIS 49 HE1 HIS 49 -7.629 13.455 21.474 981 HE2 HIS 49 HE2 HIS 49 -5.490 12.984 20.229 982 H ALA 50 HN ALA 50 -9.930 12.658 15.078 983 HA ALA 50 HA ALA 50 -8.964 15.239 15.321 984 1HB ALA 50 HMB ALA 50 -9.472 13.680 13.254 985 2HB ALA 50 HMB ALA 50 -10.955 14.663 13.170 986 3HB ALA 50 HMB ALA 50 -9.359 15.450 13.086 987 H GLY 51 HN GLY 51 -12.372 14.180 15.206 988 1HA GLY 51 HAR GLY 51 -14.120 15.368 16.365 989 2HA GLY 51 HAS GLY 51 -13.201 16.881 16.148 990 H ARG 52 HN ARG 52 -13.694 14.410 13.660 991 HA ARG 52 HA ARG 52 -15.062 14.275 11.813 992 1HB ARG 52 HBR ARG 52 -16.890 15.043 13.433 993 2HB ARG 52 HBS ARG 52 -16.603 16.685 12.789 994 1HG ARG 52 HGS ARG 52 -16.945 14.761 10.641 995 2HG ARG 52 HGR ARG 52 -18.331 14.726 11.767 996 1HD ARG 52 HDS ARG 52 -17.219 17.050 10.212 997 2HD ARG 52 HDR ARG 52 -18.850 16.325 10.131 998 HE ARG 52 HE ARG 52 -18.532 17.221 12.750 999 1HH1 ARG 52 HH1 ARG 52 -18.215 18.758 9.594 1000 2HH1 ARG 52 HH1 ARG 52 -18.927 20.245 10.124 1001 1HH2 ARG 52 HH2 ARG 52 -19.574 19.134 13.374 1002 2HH2 ARG 52 HH2 ARG 52 -19.694 20.459 12.264 1003 H LYS 53 HN LYS 53 -12.737 16.204 12.402 1004 HA LYS 53 HA LYS 53 -13.017 17.989 10.051 1005 1HB LYS 53 HBR LYS 53 -11.692 18.497 12.286 1006 2HB LYS 53 HBS LYS 53 -10.423 17.534 11.478 1007 1HG LYS 53 HGR LYS 53 -11.402 19.389 9.556 1008 2HG LYS 53 HGS LYS 53 -11.151 20.295 11.076 1009 1HD LYS 53 HDS LYS 53 -8.988 20.347 10.748 1010 2HD LYS 53 HDR LYS 53 -8.936 18.607 10.788 1011 1HE LYS 53 HES LYS 53 -8.386 18.523 8.658 1012 2HE LYS 53 HER LYS 53 -9.911 19.354 8.238 1013 1HZ LYS 53 HZA LYS 53 -7.926 21.102 9.271 1014 2HZ LYS 53 HZB LYS 53 -7.440 20.352 7.904 1015 3HZ LYS 53 HZC LYS 53 -8.820 21.227 7.909 1016 H THR 54 HN THR 54 -12.006 17.600 8.154 1017 HA THR 54 HA THR 54 -11.968 14.929 7.377 1018 HB THR 54 HB THR 54 -12.356 16.963 5.872 1019 HG1 THR 54 HG1 THR 54 -11.896 15.947 4.337 1020 1HG2 THR 54 HMG THR 54 -9.328 17.007 5.813 1021 2HG2 THR 54 HMG THR 54 -10.376 17.785 4.600 1022 3HG2 THR 54 HMG THR 54 -10.425 18.327 6.297 1023 H ILE 55 HN ILE 55 -10.114 13.932 6.075 1024 HA ILE 55 HA ILE 55 -8.054 13.515 8.138 1025 HB ILE 55 HB ILE 55 -8.880 11.844 5.713 1026 1HG1 ILE 55 HG1 ILE 55 -9.486 11.549 8.681 1027 2HG1 ILE 55 HG1 ILE 55 -10.631 12.034 7.398 1028 1HG2 ILE 55 HMG ILE 55 -6.492 11.706 7.193 1029 2HG2 ILE 55 HMG ILE 55 -7.506 10.348 7.747 1030 3HG2 ILE 55 HMG ILE 55 -7.127 10.529 6.013 1031 1HD1 ILE 55 HMD ILE 55 -9.266 9.432 7.004 1032 2HD1 ILE 55 HMD ILE 55 -10.421 9.521 8.361 1033 3HD1 ILE 55 HMD ILE 55 -10.959 9.909 6.705 1034 H LYS 56 HN LYS 56 -5.925 13.731 7.851 1035 HA LYS 56 HA LYS 56 -4.964 14.798 5.234 1036 1HB LYS 56 HBR LYS 56 -3.929 15.880 7.826 1037 2HB LYS 56 HBS LYS 56 -4.038 16.643 6.214 1038 1HG LYS 56 HGR LYS 56 -6.690 16.294 6.854 1039 2HG LYS 56 HGS LYS 56 -5.967 16.628 8.454 1040 1HD LYS 56 HDS LYS 56 -6.622 18.705 7.632 1041 2HD LYS 56 HDR LYS 56 -4.886 18.624 7.504 1042 1HE LYS 56 HES LYS 56 -4.947 18.277 5.156 1043 2HE LYS 56 HER LYS 56 -6.715 18.026 5.198 1044 1HZ LYS 56 HZA LYS 56 -5.897 20.515 6.299 1045 2HZ LYS 56 HZB LYS 56 -5.480 20.361 4.728 1046 3HZ LYS 56 HZC LYS 56 -7.041 20.195 5.178 1047 H ALA 57 HN ALA 57 -2.403 15.333 5.898 1048 HA ALA 57 HA ALA 57 -1.292 12.792 5.451 1049 1HB ALA 57 HMB ALA 57 -0.392 14.954 4.632 1050 2HB ALA 57 HMB ALA 57 0.161 15.315 6.288 1051 3HB ALA 57 HMB ALA 57 0.834 13.919 5.408 1052 H GLU 58 HN GLU 58 -0.977 14.945 8.294 1053 HA GLU 58 HA GLU 58 0.427 13.223 9.965 1054 1HB GLU 58 HBR GLU 58 -1.601 15.400 10.379 1055 2HB GLU 58 HBS GLU 58 -1.104 14.472 11.686 1056 1HG GLU 58 HGS GLU 58 1.335 14.933 10.870 1057 2HG GLU 58 HGR GLU 58 0.628 16.393 10.128 1058 H ASP 59 HN ASP 59 -2.957 13.193 9.038 1059 HA ASP 59 HA ASP 59 -3.926 11.568 11.187 1060 1HB ASP 59 HBS ASP 59 -4.987 12.340 8.500 1061 2HB ASP 59 HBR ASP 59 -5.765 11.040 9.449 1062 H ILE 60 HN ILE 60 -3.456 10.637 7.761 1063 HA ILE 60 HA ILE 60 -3.937 7.972 8.453 1064 HB ILE 60 HB ILE 60 -3.942 9.494 6.136 1065 1HG1 ILE 60 HG1 ILE 60 -4.306 6.678 5.549 1066 2HG1 ILE 60 HG1 ILE 60 -4.960 7.091 7.161 1067 1HG2 ILE 60 HMG ILE 60 -1.453 8.614 5.848 1068 2HG2 ILE 60 HMG ILE 60 -2.313 7.187 5.215 1069 3HG2 ILE 60 HMG ILE 60 -2.595 8.791 4.490 1070 1HD1 ILE 60 HMD ILE 60 -6.249 8.935 6.126 1071 2HD1 ILE 60 HMD ILE 60 -5.651 8.426 4.525 1072 3HD1 ILE 60 HMD ILE 60 -6.694 7.335 5.477 1073 H GLU 61 HN GLU 61 -0.899 9.703 7.992 1074 HA GLU 61 HA GLU 61 0.900 7.546 8.159 1075 1HB GLU 61 HBR GLU 61 0.899 10.447 8.896 1076 2HB GLU 61 HBS GLU 61 2.116 9.472 9.517 1077 1HG GLU 61 HGS GLU 61 2.127 8.644 6.906 1078 2HG GLU 61 HGR GLU 61 1.879 10.402 6.720 1079 H LEU 62 HN LEU 62 -0.730 9.424 10.720 1080 HA LEU 62 HA LEU 62 0.197 7.940 12.954 1081 1HB LEU 62 HBR LEU 62 -1.857 9.889 12.271 1082 2HB LEU 62 HBS LEU 62 -2.437 8.698 13.469 1083 HG LEU 62 HG LEU 62 -0.179 9.308 14.681 1084 1HD1 LEU 62 HMD LEU 62 0.336 10.867 12.645 1085 2HD1 LEU 62 HMD LEU 62 -0.801 11.980 13.447 1086 3HD1 LEU 62 HMD LEU 62 0.665 11.435 14.302 1087 1HD2 LEU 62 HMD LEU 62 -2.823 10.741 14.564 1088 2HD2 LEU 62 HMD LEU 62 -2.185 9.632 15.805 1089 3HD2 LEU 62 HMD LEU 62 -1.551 11.292 15.684 1090 H ALA 63 HN ALA 63 -2.728 7.529 10.928 1091 HA ALA 63 HA ALA 63 -3.730 5.291 12.163 1092 1HB ALA 63 HMB ALA 63 -4.582 6.785 10.172 1093 2HB ALA 63 HMB ALA 63 -3.918 5.461 9.181 1094 3HB ALA 63 HMB ALA 63 -5.173 5.119 10.399 1095 H VAL 64 HN VAL 64 -0.868 5.498 10.292 1096 HA VAL 64 HA VAL 64 -1.069 2.681 9.524 1097 HB VAL 64 HB VAL 64 -0.788 4.963 8.134 1098 1HG1 VAL 64 HMG VAL 64 2.035 4.028 8.566 1099 2HG1 VAL 64 HMG VAL 64 1.542 4.733 7.009 1100 3HG1 VAL 64 HMG VAL 64 1.360 5.674 8.509 1101 1HG2 VAL 64 HMG VAL 64 -0.872 2.223 7.589 1102 2HG2 VAL 64 HMG VAL 64 -1.146 3.581 6.471 1103 3HG2 VAL 64 HMG VAL 64 0.474 2.856 6.611 1104 H ARG 65 HN ARG 65 1.589 4.914 10.436 1105 HA ARG 65 HA ARG 65 3.299 3.009 11.613 1106 1HB ARG 65 HBR ARG 65 4.265 4.799 12.874 1107 2HB ARG 65 HBS ARG 65 3.884 5.387 11.230 1108 1HG ARG 65 HGS ARG 65 2.544 6.999 12.009 1109 2HG ARG 65 HGR ARG 65 1.721 5.886 13.138 1110 1HD ARG 65 HDS ARG 65 2.884 7.742 14.258 1111 2HD ARG 65 HDR ARG 65 3.480 6.129 14.742 1112 HE ARG 65 HE ARG 65 5.094 7.061 12.625 1113 1HH1 ARG 65 HH1 ARG 65 4.272 8.178 15.866 1114 2HH1 ARG 65 HH1 ARG 65 5.871 8.757 16.190 1115 1HH2 ARG 65 HH2 ARG 65 7.206 7.708 13.136 1116 2HH2 ARG 65 HH2 ARG 65 7.532 8.493 14.645 1117 H ARG 66 HN ARG 66 0.178 4.075 12.572 1118 HA ARG 66 HA ARG 66 0.347 2.842 15.216 1119 1HB ARG 66 HBR ARG 66 -1.254 4.682 14.669 1120 2HB ARG 66 HBS ARG 66 -2.125 3.542 13.604 1121 1HG ARG 66 HGS ARG 66 -3.195 2.592 15.323 1122 2HG ARG 66 HGR ARG 66 -1.706 2.485 16.303 1123 1HD ARG 66 HDS ARG 66 -3.249 5.039 15.888 1124 2HD ARG 66 HDR ARG 66 -3.552 3.908 17.237 1125 HE ARG 66 HE ARG 66 -0.901 4.344 17.482 1126 1HH1 ARG 66 HH1 ARG 66 -3.706 6.473 17.311 1127 2HH1 ARG 66 HH1 ARG 66 -2.884 7.797 18.068 1128 1HH2 ARG 66 HH2 ARG 66 0.181 6.140 18.345 1129 2HH2 ARG 66 HH2 ARG 66 -0.685 7.607 18.656 1130 H PHE 67 HN PHE 67 -1.704 2.074 12.378 1131 HA PHE 67 HA PHE 67 -2.708 -0.075 13.687 1132 1HB PHE 67 HBR PHE 67 -4.056 -0.581 11.869 1133 2HB PHE 67 HBS PHE 67 -3.659 1.134 11.605 1134 HD1 PHE 67 HD1 PHE 67 -1.119 1.107 10.391 1135 HD2 PHE 67 HD2 PHE 67 -4.311 -1.645 9.769 1136 HE1 PHE 67 HE1 PHE 67 -0.185 0.553 8.190 1137 HE2 PHE 67 HE2 PHE 67 -3.404 -2.201 7.536 1138 HZ PHE 67 HZ PHE 67 -1.274 -1.168 6.800 1139 H LYS 68 HN LYS 68 0.158 -0.020 11.722 1140 HA LYS 68 HA LYS 68 0.845 -2.624 12.867 1141 1HB LYS 68 HBR LYS 68 0.463 -2.209 9.943 1142 2HB LYS 68 HBS LYS 68 1.947 -3.063 10.456 1143 1HG LYS 68 HGR LYS 68 -0.763 -3.900 11.501 1144 2HG LYS 68 HGS LYS 68 -0.187 -4.450 9.902 1145 1HD LYS 68 HDS LYS 68 1.192 -5.938 10.762 1146 2HD LYS 68 HDR LYS 68 1.864 -4.782 11.877 1147 1HE LYS 68 HES LYS 68 -0.519 -5.220 13.073 1148 2HE LYS 68 HER LYS 68 -0.218 -6.800 12.296 1149 1HZ LYS 68 HZB LYS 68 1.935 -5.541 13.779 1150 2HZ LYS 68 HZC LYS 68 0.734 -6.260 14.621 1151 3HZ LYS 68 HZA LYS 68 1.616 -7.127 13.553 1152 H LYS 69 HN LYS 69 2.550 -2.012 13.982 1153 HA LYS 69 HA LYS 69 4.661 -0.379 12.660 1154 1HB LYS 69 HBR LYS 69 3.762 -0.664 15.426 1155 2HB LYS 69 HBS LYS 69 5.513 -0.966 15.239 1156 1HG LYS 69 HGR LYS 69 4.783 1.371 13.718 1157 2HG LYS 69 HGS LYS 69 4.158 1.532 15.383 1158 1HD LYS 69 HDS LYS 69 6.412 0.969 16.241 1159 2HD LYS 69 HDR LYS 69 6.999 0.917 14.601 1160 1HE LYS 69 HES LYS 69 5.729 3.364 15.821 1161 2HE LYS 69 HER LYS 69 7.484 3.027 15.798 1162 1HZ LYS 69 HZA LYS 69 6.115 2.842 13.274 1163 2HZ LYS 69 HZB LYS 69 6.245 4.345 13.898 1164 3HZ LYS 69 HZC LYS 69 7.586 3.457 13.625 No H/Q in entry = 1164 Start of MODEL 19 Raw file had 1198 H/Q atoms Start of MODEL 19 1 1H MET 1 HNC MET 1 -0.047 10.771 -7.645 2 2H MET 1 HN MET 1 0.209 12.385 -7.674 3 3H MET 1 HNB MET 1 -0.917 11.720 -8.651 4 HA MET 1 HA MET 1 0.561 11.743 -10.224 5 1HB MET 1 HBS MET 1 1.890 13.240 -8.613 6 2HB MET 1 HBR MET 1 2.813 11.770 -8.207 7 1HG MET 1 HGS MET 1 4.096 12.739 -9.937 8 2HG MET 1 HGR MET 1 3.133 11.494 -10.765 9 1HE MET 1 HME MET 1 4.507 13.376 -12.180 10 2HE MET 1 HME MET 1 3.441 14.236 -13.318 11 3HE MET 1 HME MET 1 4.160 15.107 -11.940 12 H GLU 2 HN GLU 2 1.427 9.768 -7.396 13 HA GLU 2 HA GLU 2 2.756 7.786 -9.041 14 1HB GLU 2 HBS GLU 2 1.977 7.980 -6.163 15 2HB GLU 2 HBR GLU 2 2.866 6.674 -6.731 16 1HG GLU 2 HGS GLU 2 3.632 9.616 -6.810 17 2HG GLU 2 HGR GLU 2 4.346 8.458 -5.655 18 H LEU 3 HN LEU 3 0.516 6.964 -6.426 19 HA LEU 3 HA LEU 3 -0.993 5.159 -8.166 20 1HB LEU 3 HBR LEU 3 -1.805 5.783 -5.362 21 2HB LEU 3 HBS LEU 3 -1.760 4.224 -6.230 22 HG LEU 3 HG LEU 3 0.567 5.687 -4.958 23 1HD1 LEU 3 HMD LEU 3 -1.337 3.781 -4.003 24 2HD1 LEU 3 HMD LEU 3 0.242 2.970 -4.149 25 3HD1 LEU 3 HMD LEU 3 0.088 4.451 -3.170 26 1HD2 LEU 3 HMD LEU 3 0.385 3.643 -7.062 27 2HD2 LEU 3 HMD LEU 3 1.755 4.670 -6.569 28 3HD2 LEU 3 HMD LEU 3 1.405 3.165 -5.681 29 HA PRO 4 HA PRO 4 -4.510 7.792 -8.844 30 1HB PRO 4 HBR PRO 4 -6.217 5.813 -9.351 31 2HB PRO 4 HBS PRO 4 -5.292 6.547 -10.493 32 1HG PRO 4 HGS PRO 4 -5.015 3.992 -9.435 33 2HG PRO 4 HGR PRO 4 -4.345 4.612 -10.832 34 1HD PRO 4 HDS PRO 4 -3.074 4.216 -8.449 35 2HD PRO 4 HDR PRO 4 -2.441 4.925 -9.802 36 H ILE 5 HN ILE 5 -6.093 8.665 -7.694 37 HA ILE 5 HA ILE 5 -6.176 7.592 -4.964 38 HB ILE 5 HB ILE 5 -6.995 9.797 -4.321 39 1HG1 ILE 5 HG1 ILE 5 -8.362 10.022 -6.493 40 2HG1 ILE 5 HG1 ILE 5 -7.696 11.493 -5.735 41 1HG2 ILE 5 HMG ILE 5 -4.508 9.450 -5.817 42 2HG2 ILE 5 HMG ILE 5 -5.050 11.145 -5.708 43 3HG2 ILE 5 HMG ILE 5 -4.818 10.186 -4.223 44 1HD1 ILE 5 HMD ILE 5 -5.712 11.047 -7.441 45 2HD1 ILE 5 HMD ILE 5 -6.997 10.182 -8.327 46 3HD1 ILE 5 HMD ILE 5 -7.199 11.907 -7.923 47 H ALA 6 HN ALA 6 -8.140 7.646 -7.754 48 HA ALA 6 HA ALA 6 -10.726 7.404 -6.643 49 1HB ALA 6 HMB ALA 6 -9.357 6.589 -9.139 50 2HB ALA 6 HMB ALA 6 -10.802 5.645 -8.698 51 3HB ALA 6 HMB ALA 6 -10.918 7.413 -8.891 52 HA PRO 7 HA PRO 7 -9.514 2.682 -6.129 53 1HB PRO 7 HBS PRO 7 -6.812 2.504 -5.888 54 2HB PRO 7 HBR PRO 7 -7.720 1.839 -7.082 55 1HG PRO 7 HGS PRO 7 -6.087 4.092 -7.175 56 2HG PRO 7 HGR PRO 7 -6.703 3.214 -8.453 57 1HD PRO 7 HDS PRO 7 -7.558 5.637 -7.727 58 2HD PRO 7 HDR PRO 7 -8.405 4.586 -8.683 59 H ILE 8 HN ILE 8 -6.989 4.636 -4.733 60 HA ILE 8 HA ILE 8 -7.157 3.580 -2.197 61 HB ILE 8 HB ILE 8 -6.410 6.444 -2.967 62 1HG1 ILE 8 HG1 ILE 8 -4.743 3.903 -2.820 63 2HG1 ILE 8 HG1 ILE 8 -5.230 4.781 -4.298 64 1HG2 ILE 8 HMG ILE 8 -6.458 5.136 -0.402 65 2HG2 ILE 8 HMG ILE 8 -4.787 5.568 -0.853 66 3HG2 ILE 8 HMG ILE 8 -6.055 6.823 -0.818 67 1HD1 ILE 8 HMD ILE 8 -3.558 6.082 -2.147 68 2HD1 ILE 8 HMD ILE 8 -2.836 5.104 -3.453 69 3HD1 ILE 8 HMD ILE 8 -3.774 6.567 -3.851 70 H GLY 9 HN GLY 9 -9.182 6.040 -3.667 71 1HA GLY 9 HAR GLY 9 -10.578 6.990 -1.439 72 2HA GLY 9 HAS GLY 9 -11.269 6.824 -3.075 73 H ARG 10 HN ARG 10 -11.447 4.230 -3.566 74 HA ARG 10 HA ARG 10 -13.750 3.585 -1.993 75 1HB ARG 10 HBS ARG 10 -12.540 1.604 -3.889 76 2HB ARG 10 HBR ARG 10 -14.252 2.020 -3.588 77 1HG ARG 10 HGS ARG 10 -12.222 3.641 -5.158 78 2HG ARG 10 HGR ARG 10 -13.620 2.741 -5.808 79 1HD ARG 10 HDS ARG 10 -14.898 4.272 -4.051 80 2HD ARG 10 HDR ARG 10 -13.493 5.329 -4.366 81 HE ARG 10 HE ARG 10 -14.144 5.434 -6.679 82 1HH1 ARG 10 HH1 ARG 10 -16.386 3.499 -4.766 83 2HH1 ARG 10 HH1 ARG 10 -17.717 3.786 -5.836 84 1HH2 ARG 10 HH2 ARG 10 -15.938 5.890 -7.986 85 2HH2 ARG 10 HH2 ARG 10 -17.464 5.137 -7.660 86 H ILE 11 HN ILE 11 -10.428 2.767 -1.757 87 HA ILE 11 HA ILE 11 -10.626 0.373 -0.168 88 HB ILE 11 HB ILE 11 -8.548 2.618 -0.209 89 1HG1 ILE 11 HG1 ILE 11 -8.743 -0.044 -1.658 90 2HG1 ILE 11 HG1 ILE 11 -8.727 1.597 -2.365 91 1HG2 ILE 11 HMG ILE 11 -8.808 0.315 1.531 92 2HG2 ILE 11 HMG ILE 11 -7.289 0.272 0.597 93 3HG2 ILE 11 HMG ILE 11 -7.677 1.692 1.605 94 1HD1 ILE 11 HMD ILE 11 -6.354 1.018 -0.748 95 2HD1 ILE 11 HMD ILE 11 -6.559 -0.094 -2.127 96 3HD1 ILE 11 HMD ILE 11 -6.492 1.667 -2.404 97 H ILE 12 HN ILE 12 -9.877 3.706 0.904 98 HA ILE 12 HA ILE 12 -10.285 3.068 3.630 99 HB ILE 12 HB ILE 12 -10.462 5.882 2.468 100 1HG1 ILE 12 HG1 ILE 12 -8.621 4.964 1.305 101 2HG1 ILE 12 HG1 ILE 12 -7.938 5.929 2.642 102 1HG2 ILE 12 HMG ILE 12 -10.785 5.363 4.961 103 2HG2 ILE 12 HMG ILE 12 -9.028 5.056 4.979 104 3HG2 ILE 12 HMG ILE 12 -9.650 6.658 4.498 105 1HD1 ILE 12 HMD ILE 12 -8.336 2.947 2.889 106 2HD1 ILE 12 HMD ILE 12 -6.880 3.646 2.132 107 3HD1 ILE 12 HMD ILE 12 -7.270 4.025 3.831 108 H LYS 13 HN LYS 13 -12.451 4.153 1.116 109 HA LYS 13 HA LYS 13 -14.721 4.706 2.759 110 1HB LYS 13 HBR LYS 13 -14.230 4.062 -0.110 111 2HB LYS 13 HBS LYS 13 -15.873 3.771 0.529 112 1HG LYS 13 HGR LYS 13 -16.259 6.029 0.941 113 2HG LYS 13 HGS LYS 13 -14.517 6.416 1.033 114 1HD LYS 13 HDS LYS 13 -14.438 5.816 -1.453 115 2HD LYS 13 HDR LYS 13 -16.179 5.877 -1.406 116 1HE LYS 13 HES LYS 13 -16.274 8.112 -1.288 117 2HE LYS 13 HER LYS 13 -14.851 8.205 -0.213 118 1HZ LYS 13 HZB LYS 13 -13.706 7.442 -2.428 119 2HZ LYS 13 HZC LYS 13 -14.974 8.223 -3.097 120 3HZ LYS 13 HZA LYS 13 -13.965 9.018 -2.087 121 H ASP 14 HN ASP 14 -13.559 1.751 1.116 122 HA ASP 14 HA ASP 14 -15.574 0.087 1.828 123 1HB ASP 14 HBS ASP 14 -13.745 -0.413 0.251 124 2HB ASP 14 HBR ASP 14 -12.684 -0.748 1.651 125 H ALA 15 HN ALA 15 -12.751 0.917 3.778 126 HA ALA 15 HA ALA 15 -13.329 -0.486 6.122 127 1HB ALA 15 HMB ALA 15 -11.512 1.389 5.368 128 2HB ALA 15 HMB ALA 15 -12.537 2.333 6.477 129 3HB ALA 15 HMB ALA 15 -11.761 0.832 7.042 130 H GLY 16 HN GLY 16 -14.647 2.617 4.969 131 1HA GLY 16 HAR GLY 16 -17.044 2.920 5.703 132 2HA GLY 16 HAS GLY 16 -16.434 2.736 7.367 133 H ALA 17 HN ALA 17 -14.170 4.302 5.372 134 HA ALA 17 HA ALA 17 -14.562 6.958 6.345 135 1HB ALA 17 HMB ALA 17 -12.564 5.712 5.083 136 2HB ALA 17 HMB ALA 17 -13.318 6.511 3.681 137 3HB ALA 17 HMB ALA 17 -12.767 7.482 5.070 138 H GLU 18 HN GLU 18 -14.702 8.705 4.422 139 HA GLU 18 HA GLU 18 -16.271 8.117 2.157 140 1HB GLU 18 HBS GLU 18 -18.196 9.569 2.856 141 2HB GLU 18 HBR GLU 18 -18.235 7.945 3.277 142 1HG GLU 18 HGS GLU 18 -17.243 8.684 5.557 143 2HG GLU 18 HGR GLU 18 -17.598 10.365 5.076 144 H ARG 19 HN ARG 19 -15.883 10.727 4.593 145 HA ARG 19 HA ARG 19 -14.979 12.588 2.473 146 1HB ARG 19 HBR ARG 19 -15.447 13.019 5.442 147 2HB ARG 19 HBS ARG 19 -14.908 14.261 4.274 148 1HG ARG 19 HGS ARG 19 -16.982 14.503 3.357 149 2HG ARG 19 HGR ARG 19 -17.440 12.804 3.665 150 1HD ARG 19 HDS ARG 19 -17.110 14.862 5.839 151 2HD ARG 19 HDR ARG 19 -18.656 14.547 5.003 152 HE ARG 19 HE ARG 19 -17.587 12.097 5.969 153 1HH1 ARG 19 HH1 ARG 19 -18.775 15.130 7.316 154 2HH1 ARG 19 HH1 ARG 19 -19.537 14.358 8.667 155 1HH2 ARG 19 HH2 ARG 19 -18.704 11.112 7.679 156 2HH2 ARG 19 HH2 ARG 19 -19.495 12.084 8.873 157 H VAL 20 HN VAL 20 -12.994 11.939 1.879 158 HA VAL 20 HA VAL 20 -10.913 12.133 3.993 159 HB VAL 20 HB VAL 20 -10.711 10.622 1.381 160 1HG1 VAL 20 HMG VAL 20 -8.696 11.583 3.182 161 2HG1 VAL 20 HMG VAL 20 -8.715 9.803 3.205 162 3HG1 VAL 20 HMG VAL 20 -8.516 10.671 1.664 163 1HG2 VAL 20 HMG VAL 20 -11.242 9.676 4.190 164 2HG2 VAL 20 HMG VAL 20 -12.148 9.331 2.698 165 3HG2 VAL 20 HMG VAL 20 -10.537 8.615 2.948 166 H SER 21 HN SER 21 -10.063 14.048 3.975 167 HA SER 21 HA SER 21 -10.272 15.925 1.942 168 1HB SER 21 HBS SER 21 -9.736 16.481 4.256 169 2HB SER 21 HBR SER 21 -8.108 15.770 4.063 170 HG SER 21 HG SER 21 -9.375 18.038 2.764 171 H ASP 22 HN ASP 22 -8.614 16.943 0.645 172 HA ASP 22 HA ASP 22 -7.727 15.049 -1.197 173 1HB ASP 22 HBS ASP 22 -7.618 17.972 -0.951 174 2HB ASP 22 HBR ASP 22 -6.341 17.244 -1.968 175 H ASP 23 HN ASP 23 -6.165 16.281 1.604 176 HA ASP 23 HA ASP 23 -3.511 15.562 0.599 177 1HB ASP 23 HBS ASP 23 -4.160 17.734 1.843 178 2HB ASP 23 HBR ASP 23 -3.998 16.727 3.311 179 H ALA 24 HN ALA 24 -5.845 14.539 3.028 180 HA ALA 24 HA ALA 24 -4.361 12.307 4.080 181 1HB ALA 24 HMB ALA 24 -7.070 13.361 4.133 182 2HB ALA 24 HMB ALA 24 -7.046 11.589 3.942 183 3HB ALA 24 HMB ALA 24 -6.209 12.347 5.320 184 H ARG 25 HN ARG 25 -6.508 12.831 1.288 185 HA ARG 25 HA ARG 25 -6.458 10.280 0.181 186 1HB ARG 25 HBR ARG 25 -7.886 12.052 -0.654 187 2HB ARG 25 HBS ARG 25 -6.462 12.969 -1.228 188 1HG ARG 25 HGS ARG 25 -6.067 10.687 -2.585 189 2HG ARG 25 HGR ARG 25 -7.843 10.611 -2.421 190 1HD ARG 25 HDS ARG 25 -6.716 13.222 -3.201 191 2HD ARG 25 HDR ARG 25 -6.550 11.903 -4.394 192 HE ARG 25 HE ARG 25 -9.204 11.864 -3.495 193 1HH1 ARG 25 HH1 ARG 25 -7.048 13.852 -5.452 194 2HH1 ARG 25 HH1 ARG 25 -8.348 14.671 -6.249 195 1HH2 ARG 25 HH2 ARG 25 -10.876 13.050 -4.461 196 2HH2 ARG 25 HH2 ARG 25 -10.516 14.217 -5.689 197 H ILE 26 HN ILE 26 -4.240 13.010 -0.515 198 HA ILE 26 HA ILE 26 -2.667 11.468 -2.331 199 HB ILE 26 HB ILE 26 -2.988 14.013 -2.268 200 1HG1 ILE 26 HG1 ILE 26 -0.418 14.294 -2.921 201 2HG1 ILE 26 HG1 ILE 26 -0.438 12.514 -2.763 202 1HG2 ILE 26 HMG ILE 26 -1.733 13.787 0.246 203 2HG2 ILE 26 HMG ILE 26 -0.578 14.609 -0.837 204 3HG2 ILE 26 HMG ILE 26 -2.223 15.266 -0.623 205 1HD1 ILE 26 HMD ILE 26 -2.714 13.261 -4.294 206 2HD1 ILE 26 HMD ILE 26 -1.307 14.141 -4.949 207 3HD1 ILE 26 HMD ILE 26 -1.265 12.362 -4.817 208 H THR 27 HN THR 27 -2.492 12.093 1.119 209 HA THR 27 HA THR 27 0.290 11.416 1.492 210 HB THR 27 HB THR 27 -2.085 11.561 3.429 211 HG1 THR 27 HG1 THR 27 -1.732 13.276 2.962 212 1HG2 THR 27 HMG THR 27 -0.206 9.968 4.160 213 2HG2 THR 27 HMG THR 27 0.796 11.435 4.307 214 3HG2 THR 27 HMG THR 27 -0.689 11.268 5.280 215 H LEU 28 HN LEU 28 -2.809 9.672 1.799 216 HA LEU 28 HA LEU 28 -1.640 7.206 2.745 217 1HB LEU 28 HBS LEU 28 -4.016 8.105 3.009 218 2HB LEU 28 HBR LEU 28 -4.281 7.589 1.320 219 HG LEU 28 HG LEU 28 -4.039 5.303 1.878 220 1HD1 LEU 28 HMD LEU 28 -3.146 6.289 4.604 221 2HD1 LEU 28 HMD LEU 28 -3.577 4.599 4.238 222 3HD1 LEU 28 HMD LEU 28 -2.191 5.364 3.418 223 1HD2 LEU 28 HMD LEU 28 -5.623 6.817 3.977 224 2HD2 LEU 28 HMD LEU 28 -6.193 6.276 2.376 225 3HD2 LEU 28 HMD LEU 28 -5.796 5.077 3.634 226 H ALA 29 HN ALA 29 -2.346 8.644 -0.396 227 HA ALA 29 HA ALA 29 -1.461 6.464 -1.979 228 1HB ALA 29 HMB ALA 29 -1.907 9.367 -2.330 229 2HB ALA 29 HMB ALA 29 -0.761 8.608 -3.464 230 3HB ALA 29 HMB ALA 29 -2.422 7.980 -3.323 231 H LYS 30 HN LYS 30 0.328 9.401 -0.943 232 HA LYS 30 HA LYS 30 2.751 8.590 -2.060 233 1HB LYS 30 HBR LYS 30 1.798 10.763 -0.402 234 2HB LYS 30 HBS LYS 30 3.421 10.233 0.124 235 1HG LYS 30 HGR LYS 30 3.285 10.427 -2.774 236 2HG LYS 30 HGS LYS 30 2.787 11.962 -2.008 237 1HD LYS 30 HDS LYS 30 5.393 10.489 -1.671 238 2HD LYS 30 HDR LYS 30 5.115 12.018 -2.455 239 1HE LYS 30 HES LYS 30 5.330 13.147 -0.571 240 2HE LYS 30 HER LYS 30 4.112 12.116 0.231 241 1HZ LYS 30 HZB LYS 30 6.871 11.219 -0.159 242 2HZ LYS 30 HZC LYS 30 6.435 12.096 1.149 243 3HZ LYS 30 HZA LYS 30 5.750 10.639 0.877 244 H ILE 31 HN ILE 31 1.331 7.836 1.041 245 HA ILE 31 HA ILE 31 3.666 6.656 2.285 246 HB ILE 31 HB ILE 31 0.653 6.395 2.672 247 1HG1 ILE 31 HG1 ILE 31 2.777 7.550 4.510 248 2HG1 ILE 31 HG1 ILE 31 1.901 8.503 3.278 249 1HG2 ILE 31 HMG ILE 31 1.695 4.237 3.269 250 2HG2 ILE 31 HMG ILE 31 2.757 5.095 4.416 251 3HG2 ILE 31 HMG ILE 31 0.991 5.093 4.666 252 1HD1 ILE 31 HMD ILE 31 -0.240 7.694 4.451 253 2HD1 ILE 31 HMD ILE 31 0.836 7.213 5.791 254 3HD1 ILE 31 HMD ILE 31 0.754 8.921 5.282 255 H LEU 32 HN LEU 32 0.736 4.998 1.111 256 HA LEU 32 HA LEU 32 1.856 2.546 1.054 257 1HB LEU 32 HBR LEU 32 -0.483 3.829 -0.290 258 2HB LEU 32 HBS LEU 32 -0.072 2.146 -0.727 259 HG LEU 32 HG LEU 32 -0.079 2.057 2.017 260 1HD1 LEU 32 HMD LEU 32 -2.101 4.074 1.042 261 2HD1 LEU 32 HMD LEU 32 -2.410 3.062 2.476 262 3HD1 LEU 32 HMD LEU 32 -1.009 4.164 2.448 263 1HD2 LEU 32 HMD LEU 32 -2.031 1.443 -0.182 264 2HD2 LEU 32 HMD LEU 32 -1.068 0.336 0.830 265 3HD2 LEU 32 HMD LEU 32 -2.494 1.155 1.515 266 H GLU 33 HN GLU 33 2.273 4.996 -1.350 267 HA GLU 33 HA GLU 33 3.031 3.137 -3.449 268 1HB GLU 33 HBR GLU 33 2.996 5.024 -4.789 269 2HB GLU 33 HBS GLU 33 1.771 5.208 -3.658 270 1HG GLU 33 HGS GLU 33 2.697 7.340 -3.801 271 2HG GLU 33 HGR GLU 33 3.239 6.722 -2.217 272 H GLU 34 HN GLU 34 4.684 5.518 -1.365 273 HA GLU 34 HA GLU 34 7.379 4.948 -2.214 274 1HB GLU 34 HBS GLU 34 6.769 6.865 -1.006 275 2HB GLU 34 HBR GLU 34 6.036 6.032 0.253 276 1HG GLU 34 HGS GLU 34 8.093 5.454 1.236 277 2HG GLU 34 HGR GLU 34 8.996 5.509 -0.302 278 H MET 35 HN MET 35 5.089 3.542 0.109 279 HA MET 35 HA MET 35 6.759 1.482 1.131 280 1HB MET 35 HBR MET 35 3.763 1.642 0.706 281 2HB MET 35 HBS MET 35 4.580 0.286 1.526 282 1HG MET 35 HGS MET 35 5.028 3.172 2.396 283 2HG MET 35 HGR MET 35 3.627 2.240 2.972 284 1HE MET 35 HME MET 35 4.290 2.500 5.290 285 2HE MET 35 HME MET 35 3.913 0.760 5.239 286 3HE MET 35 HME MET 35 5.334 1.337 6.145 287 H GLY 36 HN GLY 36 4.455 1.489 -1.610 288 1HA GLY 36 HAR GLY 36 4.700 -1.221 -2.218 289 2HA GLY 36 HAS GLY 36 4.143 0.030 -3.361 290 H ARG 37 HN ARG 37 6.555 1.562 -3.417 291 HA ARG 37 HA ARG 37 8.220 0.147 -5.282 292 1HB ARG 37 HBR ARG 37 8.050 2.799 -4.157 293 2HB ARG 37 HBS ARG 37 9.732 2.200 -4.069 294 1HG ARG 37 HGS ARG 37 10.036 2.596 -6.236 295 2HG ARG 37 HGR ARG 37 8.615 1.601 -6.660 296 1HD ARG 37 HDS ARG 37 8.732 4.536 -6.007 297 2HD ARG 37 HDR ARG 37 8.218 3.749 -7.525 298 HE ARG 37 HE ARG 37 6.611 3.020 -5.215 299 1HH1 ARG 37 HH1 ARG 37 7.108 5.577 -7.591 300 2HH1 ARG 37 HH1 ARG 37 5.426 5.985 -7.664 301 1HH2 ARG 37 HH2 ARG 37 4.407 3.507 -5.421 302 2HH2 ARG 37 HH2 ARG 37 3.899 4.824 -6.425 303 H ASP 38 HN ASP 38 8.351 0.797 -1.792 304 HA ASP 38 HA ASP 38 10.837 -0.289 -1.286 305 1HB ASP 38 HBR ASP 38 8.665 0.658 0.238 306 2HB ASP 38 HBS ASP 38 9.142 -0.925 0.917 307 H ILE 39 HN ILE 39 7.722 -2.003 -1.418 308 HA ILE 39 HA ILE 39 8.785 -4.495 -0.390 309 HB ILE 39 HB ILE 39 6.255 -4.129 -2.059 310 1HG1 ILE 39 HG1 ILE 39 6.490 -3.742 0.948 311 2HG1 ILE 39 HG1 ILE 39 6.423 -2.410 -0.242 312 1HG2 ILE 39 HMG ILE 39 7.149 -6.154 -0.014 313 2HG2 ILE 39 HMG ILE 39 5.440 -5.945 -0.476 314 3HG2 ILE 39 HMG ILE 39 6.644 -6.413 -1.704 315 1HD1 ILE 39 HMD ILE 39 4.250 -4.429 -0.382 316 2HD1 ILE 39 HMD ILE 39 4.265 -3.360 1.047 317 3HD1 ILE 39 HMD ILE 39 4.198 -2.659 -0.592 318 H ALA 40 HN ALA 40 8.315 -3.011 -3.559 319 HA ALA 40 HA ALA 40 8.536 -5.387 -5.112 320 1HB ALA 40 HMB ALA 40 8.247 -2.557 -5.549 321 2HB ALA 40 HMB ALA 40 9.483 -3.226 -6.645 322 3HB ALA 40 HMB ALA 40 7.846 -3.927 -6.615 323 H SER 41 HN SER 41 10.919 -2.737 -4.670 324 HA SER 41 HA SER 41 13.081 -4.085 -5.786 325 1HB SER 41 HBR SER 41 12.779 -1.594 -4.986 326 2HB SER 41 HBS SER 41 13.572 -2.210 -3.507 327 HG SER 41 HG SER 41 14.449 -1.988 -6.232 328 H GLU 42 HN GLU 42 11.807 -4.206 -2.503 329 HA GLU 42 HA GLU 42 13.742 -5.944 -1.335 330 1HB GLU 42 HBS GLU 42 11.019 -5.042 -0.987 331 2HB GLU 42 HBR GLU 42 11.152 -6.633 -0.472 332 1HG GLU 42 HGS GLU 42 12.450 -4.113 0.523 333 2HG GLU 42 HGR GLU 42 11.654 -5.346 1.539 334 H ALA 43 HN ALA 43 10.557 -6.741 -2.798 335 HA ALA 43 HA ALA 43 10.945 -9.509 -2.839 336 1HB ALA 43 HMB ALA 43 9.238 -7.758 -4.627 337 2HB ALA 43 HMB ALA 43 9.117 -9.532 -4.506 338 3HB ALA 43 HMB ALA 43 8.771 -8.515 -3.083 339 H ILE 44 HN ILE 44 12.363 -7.091 -4.809 340 HA ILE 44 HA ILE 44 12.629 -8.747 -7.115 341 HB ILE 44 HB ILE 44 12.597 -6.046 -6.563 342 1HG1 ILE 44 HG1 ILE 44 13.651 -6.704 -9.241 343 2HG1 ILE 44 HG1 ILE 44 12.302 -7.740 -8.691 344 1HG2 ILE 44 HMG ILE 44 15.053 -6.054 -6.025 345 2HG2 ILE 44 HMG ILE 44 15.348 -6.437 -7.740 346 3HG2 ILE 44 HMG ILE 44 14.513 -4.927 -7.296 347 1HD1 ILE 44 HMD ILE 44 11.382 -5.268 -8.008 348 2HD1 ILE 44 HMD ILE 44 12.328 -4.891 -9.471 349 3HD1 ILE 44 HMD ILE 44 11.015 -6.096 -9.545 350 H LYS 45 HN LYS 45 15.068 -7.415 -4.848 351 HA LYS 45 HA LYS 45 17.167 -9.240 -5.655 352 1HB LYS 45 HBR LYS 45 17.218 -6.972 -4.252 353 2HB LYS 45 HBS LYS 45 17.059 -8.117 -2.889 354 1HG LYS 45 HGR LYS 45 19.046 -9.344 -4.207 355 2HG LYS 45 HGS LYS 45 19.337 -7.677 -4.780 356 1HD LYS 45 HDS LYS 45 20.692 -8.027 -2.875 357 2HD LYS 45 HDR LYS 45 19.431 -6.885 -2.496 358 1HE LYS 45 HES LYS 45 18.362 -9.379 -1.805 359 2HE LYS 45 HER LYS 45 20.056 -9.378 -1.238 360 1HZ LYS 45 HZB LYS 45 19.254 -6.986 -0.485 361 2HZ LYS 45 HZC LYS 45 17.833 -7.782 -0.361 362 3HZ LYS 45 HZA LYS 45 19.139 -8.306 0.469 363 H LEU 46 HN LEU 46 14.361 -9.370 -3.607 364 HA LEU 46 HA LEU 46 15.009 -11.731 -2.096 365 1HB LEU 46 HBS LEU 46 12.651 -10.082 -2.799 366 2HB LEU 46 HBR LEU 46 12.318 -11.799 -2.441 367 HG LEU 46 HG LEU 46 13.262 -11.571 -0.233 368 1HD1 LEU 46 HMD LEU 46 14.686 -9.487 -1.375 369 2HD1 LEU 46 HMD LEU 46 13.542 -8.657 -0.289 370 3HD1 LEU 46 HMD LEU 46 14.639 -9.905 0.358 371 1HD2 LEU 46 HMD LEU 46 10.875 -10.820 -0.780 372 2HD2 LEU 46 HMD LEU 46 11.582 -10.241 0.749 373 3HD2 LEU 46 HMD LEU 46 11.497 -9.155 -0.661 374 H ALA 47 HN ALA 47 13.583 -11.101 -5.295 375 HA ALA 47 HA ALA 47 12.805 -13.828 -5.824 376 1HB ALA 47 HMB ALA 47 13.335 -11.500 -7.693 377 2HB ALA 47 HMB ALA 47 12.553 -13.041 -8.128 378 3HB ALA 47 HMB ALA 47 11.771 -11.944 -6.964 379 H ARG 48 HN ARG 48 15.710 -11.881 -6.293 380 HA ARG 48 HA ARG 48 17.173 -13.675 -7.876 381 1HB ARG 48 HBS ARG 48 17.684 -11.280 -6.395 382 2HB ARG 48 HBR ARG 48 18.958 -12.472 -6.008 383 1HG ARG 48 HGS ARG 48 18.784 -12.690 -8.740 384 2HG ARG 48 HGR ARG 48 18.455 -10.952 -8.482 385 1HD ARG 48 HDS ARG 48 20.493 -10.974 -6.958 386 2HD ARG 48 HDR ARG 48 20.863 -12.565 -7.682 387 HE ARG 48 HE ARG 48 20.383 -10.454 -9.626 388 1HH1 ARG 48 HH1 ARG 48 22.753 -12.328 -7.808 389 2HH1 ARG 48 HH1 ARG 48 24.089 -11.750 -8.744 390 1HH2 ARG 48 HH2 ARG 48 22.171 -9.620 -10.743 391 2HH2 ARG 48 HH2 ARG 48 23.761 -10.218 -10.405 392 H HIS 49 HN HIS 49 17.288 -13.292 -4.310 393 HA HIS 49 HA HIS 49 18.726 -15.724 -3.892 394 1HB HIS 49 HBS HIS 49 17.862 -13.574 -2.241 395 2HB HIS 49 HBR HIS 49 17.137 -15.062 -1.568 396 HD1 HIS 49 HD1 HIS 49 18.676 -15.752 0.338 397 HD2 HIS 49 HD2 HIS 49 20.772 -14.512 -3.041 398 HE1 HIS 49 HE1 HIS 49 21.109 -15.989 0.890 399 HE2 HIS 49 HE2 HIS 49 22.384 -15.220 -1.143 400 H ALA 50 HN ALA 50 15.436 -15.028 -4.557 401 HA ALA 50 HA ALA 50 14.174 -17.375 -3.518 402 1HB ALA 50 HMB ALA 50 13.268 -15.189 -4.742 403 2HB ALA 50 HMB ALA 50 13.378 -16.260 -6.162 404 3HB ALA 50 HMB ALA 50 12.383 -16.737 -4.762 405 H GLY 51 HN GLY 51 15.859 -16.648 -6.578 406 1HA GLY 51 HAR GLY 51 16.957 -18.603 -7.684 407 2HA GLY 51 HAS GLY 51 15.425 -19.484 -7.440 408 H ARG 52 HN ARG 52 15.365 -16.076 -8.210 409 HA ARG 52 HA ARG 52 15.347 -14.847 -10.143 410 1HB ARG 52 HBS ARG 52 15.961 -17.415 -11.636 411 2HB ARG 52 HBR ARG 52 16.113 -15.736 -12.228 412 1HG ARG 52 HGS ARG 52 18.288 -16.020 -11.707 413 2HG ARG 52 HGR ARG 52 17.734 -15.640 -10.051 414 1HD ARG 52 HDS ARG 52 19.205 -17.682 -10.357 415 2HD ARG 52 HDR ARG 52 17.693 -17.885 -9.428 416 HE ARG 52 HE ARG 52 17.303 -18.501 -12.205 417 1HH1 ARG 52 HH1 ARG 52 18.331 -19.789 -9.088 418 2HH1 ARG 52 HH1 ARG 52 18.214 -21.437 -9.608 419 1HH2 ARG 52 HH2 ARG 52 17.286 -20.662 -12.888 420 2HH2 ARG 52 HH2 ARG 52 17.619 -21.932 -11.757 421 H LYS 53 HN LYS 53 14.042 -18.093 -10.961 422 HA LYS 53 HA LYS 53 12.401 -17.225 -12.948 423 1HB LYS 53 HBS LYS 53 11.929 -19.587 -11.101 424 2HB LYS 53 HBR LYS 53 11.092 -19.314 -12.656 425 1HG LYS 53 HGR LYS 53 13.304 -19.390 -13.809 426 2HG LYS 53 HGS LYS 53 14.071 -19.784 -12.243 427 1HD LYS 53 HDS LYS 53 11.886 -21.570 -12.676 428 2HD LYS 53 HDR LYS 53 12.837 -21.504 -14.134 429 1HE LYS 53 HES LYS 53 14.855 -22.081 -12.951 430 2HE LYS 53 HER LYS 53 13.974 -22.021 -11.399 431 1HZ LYS 53 HZB LYS 53 12.536 -23.727 -12.886 432 2HZ LYS 53 HZC LYS 53 14.059 -24.090 -13.346 433 3HZ LYS 53 HZA LYS 53 13.645 -24.159 -11.768 434 H THR 54 HN THR 54 11.160 -15.455 -12.624 435 HA THR 54 HA THR 54 9.146 -14.428 -12.345 436 HB THR 54 HB THR 54 8.020 -17.016 -11.181 437 HG1 THR 54 HG1 THR 54 9.001 -17.749 -12.545 438 1HG2 THR 54 HMG THR 54 6.929 -14.641 -12.557 439 2HG2 THR 54 HMG THR 54 6.278 -16.210 -13.097 440 3HG2 THR 54 HMG THR 54 6.172 -15.744 -11.380 441 H ILE 55 HN ILE 55 8.742 -12.948 -10.907 442 HA ILE 55 HA ILE 55 8.919 -13.450 -8.012 443 HB ILE 55 HB ILE 55 7.954 -10.974 -9.523 444 1HG1 ILE 55 HG1 ILE 55 10.723 -11.750 -8.544 445 2HG1 ILE 55 HG1 ILE 55 10.197 -11.449 -10.224 446 1HG2 ILE 55 HMG ILE 55 7.945 -11.631 -6.749 447 2HG2 ILE 55 HMG ILE 55 9.128 -10.324 -7.024 448 3HG2 ILE 55 HMG ILE 55 7.436 -10.122 -7.553 449 1HD1 ILE 55 HMD ILE 55 10.315 -9.366 -8.022 450 2HD1 ILE 55 HMD ILE 55 11.535 -9.596 -9.302 451 3HD1 ILE 55 HMD ILE 55 9.879 -9.089 -9.729 452 H LYS 56 HN LYS 56 7.216 -13.671 -6.671 453 HA LYS 56 HA LYS 56 4.507 -13.956 -7.866 454 1HB LYS 56 HBR LYS 56 6.340 -16.086 -6.996 455 2HB LYS 56 HBS LYS 56 4.735 -16.146 -6.212 456 1HG LYS 56 HGR LYS 56 4.493 -15.669 -9.076 457 2HG LYS 56 HGS LYS 56 5.435 -17.150 -8.742 458 1HD LYS 56 HDS LYS 56 2.675 -16.515 -7.694 459 2HD LYS 56 HDR LYS 56 3.056 -17.573 -9.023 460 1HE LYS 56 HES LYS 56 4.514 -18.881 -7.363 461 2HE LYS 56 HER LYS 56 3.621 -17.967 -6.115 462 1HZ LYS 56 HZC LYS 56 2.070 -19.263 -8.179 463 2HZ LYS 56 HZA LYS 56 2.767 -20.233 -7.065 464 3HZ LYS 56 HZB LYS 56 1.736 -19.059 -6.593 465 H ALA 57 HN ALA 57 3.059 -14.898 -5.960 466 HA ALA 57 HA ALA 57 2.760 -12.889 -4.085 467 1HB ALA 57 HMB ALA 57 1.287 -15.004 -4.868 468 2HB ALA 57 HMB ALA 57 1.812 -15.573 -3.263 469 3HB ALA 57 HMB ALA 57 0.937 -14.029 -3.418 470 H GLU 58 HN GLU 58 4.544 -15.933 -3.808 471 HA GLU 58 HA GLU 58 5.144 -15.813 -1.075 472 1HB GLU 58 HBR GLU 58 5.458 -17.650 -2.799 473 2HB GLU 58 HBS GLU 58 6.790 -16.800 -3.366 474 1HG GLU 58 HGS GLU 58 8.191 -17.644 -1.921 475 2HG GLU 58 HGR GLU 58 7.232 -17.081 -0.525 476 H ASP 59 HN ASP 59 6.957 -14.522 -3.877 477 HA ASP 59 HA ASP 59 9.004 -13.450 -2.190 478 1HB ASP 59 HBS ASP 59 8.543 -13.781 -5.048 479 2HB ASP 59 HBR ASP 59 9.397 -12.267 -4.630 480 H ILE 60 HN ILE 60 6.136 -12.135 -3.734 481 HA ILE 60 HA ILE 60 6.564 -9.376 -3.050 482 HB ILE 60 HB ILE 60 4.032 -11.025 -3.512 483 1HG1 ILE 60 HG1 ILE 60 5.363 -10.966 -5.475 484 2HG1 ILE 60 HG1 ILE 60 4.041 -9.787 -5.709 485 1HG2 ILE 60 HMG ILE 60 3.857 -8.812 -2.119 486 2HG2 ILE 60 HMG ILE 60 4.044 -8.041 -3.717 487 3HG2 ILE 60 HMG ILE 60 2.694 -9.169 -3.425 488 1HD1 ILE 60 HMD ILE 60 5.590 -7.957 -5.163 489 2HD1 ILE 60 HMD ILE 60 6.910 -9.141 -4.966 490 3HD1 ILE 60 HMD ILE 60 6.148 -8.912 -6.562 491 H GLU 61 HN GLU 61 5.105 -12.174 -1.398 492 HA GLU 61 HA GLU 61 4.245 -10.640 0.860 493 1HB GLU 61 HBR GLU 61 4.590 -13.589 0.297 494 2HB GLU 61 HBS GLU 61 4.066 -13.003 1.780 495 1HG GLU 61 HGS GLU 61 2.062 -12.162 1.082 496 2HG GLU 61 HGR GLU 61 2.529 -12.034 -0.636 497 H LEU 62 HN LEU 62 7.066 -12.686 0.174 498 HA LEU 62 HA LEU 62 8.300 -12.590 2.712 499 1HB LEU 62 HBR LEU 62 8.906 -13.318 -0.025 500 2HB LEU 62 HBS LEU 62 10.304 -12.515 0.746 501 HG LEU 62 HG LEU 62 8.914 -14.771 2.153 502 1HD1 LEU 62 HMD LEU 62 9.886 -15.072 -0.430 503 2HD1 LEU 62 HMD LEU 62 11.261 -15.554 0.597 504 3HD1 LEU 62 HMD LEU 62 9.685 -16.364 0.782 505 1HD2 LEU 62 HMD LEU 62 11.303 -13.128 2.375 506 2HD2 LEU 62 HMD LEU 62 10.549 -14.216 3.569 507 3HD2 LEU 62 HMD LEU 62 11.701 -14.865 2.374 508 H ALA 63 HN ALA 63 8.655 -10.418 -0.111 509 HA ALA 63 HA ALA 63 10.393 -8.599 0.992 510 1HB ALA 63 HMB ALA 63 8.126 -8.167 -0.966 511 2HB ALA 63 HMB ALA 63 9.376 -6.950 -0.599 512 3HB ALA 63 HMB ALA 63 9.838 -8.513 -1.321 513 H VAL 64 HN VAL 64 6.842 -8.638 1.264 514 HA VAL 64 HA VAL 64 6.760 -6.105 2.407 515 HB VAL 64 HB VAL 64 5.041 -7.914 1.283 516 1HG1 VAL 64 HMG VAL 64 4.543 -8.776 3.658 517 2HG1 VAL 64 HMG VAL 64 3.650 -7.252 3.875 518 3HG1 VAL 64 HMG VAL 64 3.184 -8.380 2.581 519 1HG2 VAL 64 HMG VAL 64 5.197 -5.188 1.713 520 2HG2 VAL 64 HMG VAL 64 4.019 -6.062 0.705 521 3HG2 VAL 64 HMG VAL 64 3.609 -5.633 2.383 522 H ARG 65 HN ARG 65 6.274 -9.261 4.040 523 HA ARG 65 HA ARG 65 6.290 -8.255 6.671 524 1HB ARG 65 HBR ARG 65 6.390 -10.835 5.385 525 2HB ARG 65 HBS ARG 65 7.554 -10.778 6.740 526 1HG ARG 65 HGS ARG 65 5.154 -9.599 7.676 527 2HG ARG 65 HGR ARG 65 4.691 -11.085 6.798 528 1HD ARG 65 HDS ARG 65 6.028 -12.435 8.156 529 2HD ARG 65 HDR ARG 65 6.923 -11.035 8.810 530 HE ARG 65 HE ARG 65 5.318 -10.890 10.439 531 1HH1 ARG 65 HH1 ARG 65 3.962 -12.720 7.747 532 2HH1 ARG 65 HH1 ARG 65 2.402 -12.859 8.485 533 1HH2 ARG 65 HH2 ARG 65 3.230 -10.979 11.313 534 2HH2 ARG 65 HH2 ARG 65 1.987 -11.875 10.504 535 H ARG 66 HN ARG 66 8.834 -8.545 4.375 536 HA ARG 66 HA ARG 66 10.881 -8.845 6.440 537 1HB ARG 66 HBR ARG 66 10.768 -10.270 4.384 538 2HB ARG 66 HBS ARG 66 11.208 -8.827 3.425 539 1HG ARG 66 HGS ARG 66 13.014 -9.389 5.688 540 2HG ARG 66 HGR ARG 66 12.974 -10.664 4.438 541 1HD ARG 66 HDS ARG 66 13.037 -8.290 3.008 542 2HD ARG 66 HDR ARG 66 14.147 -8.015 4.381 543 HE ARG 66 HE ARG 66 14.764 -9.499 2.106 544 1HH1 ARG 66 HH1 ARG 66 15.026 -9.747 5.614 545 2HH1 ARG 66 HH1 ARG 66 16.265 -10.955 5.545 546 1HH2 ARG 66 HH2 ARG 66 16.302 -11.165 2.057 547 2HH2 ARG 66 HH2 ARG 66 16.990 -11.756 3.533 548 H PHE 67 HN PHE 67 9.501 -6.301 4.653 549 HA PHE 67 HA PHE 67 11.816 -4.609 5.456 550 1HB PHE 67 HBS PHE 67 11.161 -2.833 4.065 551 2HB PHE 67 HBR PHE 67 11.066 -4.295 3.048 552 HD1 PHE 67 HD2 PHE 67 8.348 -5.360 3.645 553 HD2 PHE 67 HD1 PHE 67 9.753 -1.359 3.234 554 HE1 PHE 67 HE2 PHE 67 6.028 -4.589 3.276 555 HE2 PHE 67 HE1 PHE 67 7.469 -0.582 2.786 556 HZ PHE 67 HZ PHE 67 5.607 -2.198 2.780 557 H LYS 68 HN LYS 68 8.524 -5.493 6.039 558 HA LYS 68 HA LYS 68 7.512 -3.227 7.220 559 1HB LYS 68 HBS LYS 68 6.194 -5.248 6.735 560 2HB LYS 68 HBR LYS 68 6.984 -6.085 8.103 561 1HG LYS 68 HGR LYS 68 5.826 -3.550 8.949 562 2HG LYS 68 HGS LYS 68 4.604 -4.589 8.160 563 1HD LYS 68 HDS LYS 68 6.366 -5.934 10.109 564 2HD LYS 68 HDR LYS 68 5.331 -4.697 10.769 565 1HE LYS 68 HES LYS 68 4.352 -6.980 10.822 566 2HE LYS 68 HER LYS 68 3.363 -5.743 9.996 567 1HZ LYS 68 HZC LYS 68 5.152 -7.134 8.272 568 2HZ LYS 68 HZA LYS 68 4.044 -8.113 8.964 569 3HZ LYS 68 HZB LYS 68 3.560 -6.821 8.092 570 H LYS 69 HN LYS 69 8.503 -2.016 8.673 571 HA LYS 69 HA LYS 69 9.388 -3.131 11.251 572 1HB LYS 69 HBR LYS 69 11.298 -3.531 9.752 573 2HB LYS 69 HBS LYS 69 11.308 -1.800 9.310 574 1HG LYS 69 HGR LYS 69 12.900 -1.698 10.930 575 2HG LYS 69 HGS LYS 69 11.475 -1.581 12.003 576 1HD LYS 69 HDS LYS 69 12.870 -4.168 11.314 577 2HD LYS 69 HDR LYS 69 13.270 -3.177 12.691 578 1HE LYS 69 HES LYS 69 11.746 -4.265 13.855 579 2HE LYS 69 HER LYS 69 10.515 -3.449 12.851 580 1HZ LYS 69 HZB LYS 69 11.807 -5.946 12.028 581 2HZ LYS 69 HZC LYS 69 10.438 -5.925 12.918 582 3HZ LYS 69 HZA LYS 69 10.451 -5.266 11.424 583 1H MET 1 HNB MET 1 -9.528 -6.634 -4.851 584 2H MET 1 HNC MET 1 -8.964 -8.004 -5.541 585 3H MET 1 HN MET 1 -7.978 -6.714 -5.362 586 HA MET 1 HA MET 1 -8.551 -6.789 -7.593 587 1HB MET 1 HBS MET 1 -10.604 -8.226 -7.039 588 2HB MET 1 HBR MET 1 -11.458 -6.686 -6.766 589 1HG MET 1 HGS MET 1 -11.926 -7.154 -9.033 590 2HG MET 1 HGR MET 1 -10.576 -5.998 -9.104 591 1HE MET 1 HME MET 1 -11.753 -9.628 -9.236 592 2HE MET 1 HME MET 1 -11.760 -9.005 -10.904 593 3HE MET 1 HME MET 1 -10.676 -10.347 -10.460 594 H GLU 2 HN GLU 2 -8.254 -4.935 -5.207 595 HA GLU 2 HA GLU 2 -9.886 -2.626 -5.927 596 1HB GLU 2 HBR GLU 2 -7.747 -3.130 -3.848 597 2HB GLU 2 HBS GLU 2 -8.559 -1.674 -4.042 598 1HG GLU 2 HGS GLU 2 -9.745 -4.262 -3.142 599 2HG GLU 2 HGR GLU 2 -9.817 -2.702 -2.279 600 H LEU 3 HN LEU 3 -6.480 -2.488 -4.968 601 HA LEU 3 HA LEU 3 -5.732 -0.493 -6.726 602 1HB LEU 3 HBR LEU 3 -3.868 -2.670 -5.775 603 2HB LEU 3 HBS LEU 3 -3.524 -0.938 -6.041 604 HG LEU 3 HG LEU 3 -5.162 -2.137 -3.794 605 1HD1 LEU 3 HMD LEU 3 -2.526 -2.206 -3.899 606 2HD1 LEU 3 HMD LEU 3 -2.683 -0.484 -3.469 607 3HD1 LEU 3 HMD LEU 3 -3.371 -1.734 -2.403 608 1HD2 LEU 3 HMD LEU 3 -4.911 0.565 -4.945 609 2HD2 LEU 3 HMD LEU 3 -6.166 -0.124 -3.883 610 3HD2 LEU 3 HMD LEU 3 -4.644 0.485 -3.185 611 HA PRO 4 HA PRO 4 -5.367 -2.398 -10.692 612 1HB PRO 4 HBR PRO 4 -3.907 -0.387 -11.737 613 2HB PRO 4 HBS PRO 4 -5.539 -0.528 -11.836 614 1HG PRO 4 HGS PRO 4 -4.124 1.320 -10.414 615 2HG PRO 4 HGR PRO 4 -5.782 1.200 -10.546 616 1HD PRO 4 HDS PRO 4 -4.166 0.426 -8.411 617 2HD PRO 4 HDR PRO 4 -5.814 0.558 -8.451 618 H ILE 5 HN ILE 5 -4.040 -3.685 -11.800 619 HA ILE 5 HA ILE 5 -1.579 -4.280 -10.436 620 HB ILE 5 HB ILE 5 -1.381 -6.143 -12.003 621 1HG1 ILE 5 HG1 ILE 5 -2.189 -4.701 -13.972 622 2HG1 ILE 5 HG1 ILE 5 -2.582 -6.442 -13.970 623 1HG2 ILE 5 HMG ILE 5 -3.929 -5.637 -10.594 624 2HG2 ILE 5 HMG ILE 5 -3.932 -6.974 -11.775 625 3HG2 ILE 5 HMG ILE 5 -2.750 -6.967 -10.439 626 1HD1 ILE 5 HMD ILE 5 -4.836 -5.608 -12.882 627 2HD1 ILE 5 HMD ILE 5 -4.382 -4.069 -13.662 628 3HD1 ILE 5 HMD ILE 5 -4.578 -5.544 -14.647 629 H ALA 6 HN ALA 6 -2.456 -2.491 -13.305 630 HA ALA 6 HA ALA 6 0.045 -2.744 -14.685 631 1HB ALA 6 HMB ALA 6 -2.378 -0.982 -14.918 632 2HB ALA 6 HMB ALA 6 -0.898 -0.602 -15.836 633 3HB ALA 6 HMB ALA 6 -1.715 -2.168 -16.071 634 HA PRO 7 HA PRO 7 0.799 1.709 -12.889 635 1HB PRO 7 HBR PRO 7 -0.683 2.166 -10.665 636 2HB PRO 7 HBS PRO 7 -0.853 2.927 -12.111 637 1HG PRO 7 HGS PRO 7 -2.464 0.946 -10.999 638 2HG PRO 7 HGR PRO 7 -2.830 2.012 -12.231 639 1HD PRO 7 HDS PRO 7 -2.328 -0.584 -12.581 640 2HD PRO 7 HDR PRO 7 -2.252 0.557 -13.776 641 H ILE 8 HN ILE 8 -0.167 -0.542 -10.424 642 HA ILE 8 HA ILE 8 2.102 -0.263 -8.776 643 HB ILE 8 HB ILE 8 0.317 -2.688 -9.310 644 1HG1 ILE 8 HG1 ILE 8 0.241 -0.438 -7.274 645 2HG1 ILE 8 HG1 ILE 8 -0.962 -0.830 -8.534 646 1HG2 ILE 8 HMG ILE 8 2.474 -2.251 -7.263 647 2HG2 ILE 8 HMG ILE 8 1.083 -3.316 -6.930 648 3HG2 ILE 8 HMG ILE 8 2.164 -3.666 -8.305 649 1HD1 ILE 8 HMD ILE 8 -1.359 -3.008 -7.312 650 2HD1 ILE 8 HMD ILE 8 -0.363 -2.349 -5.987 651 3HD1 ILE 8 HMD ILE 8 -1.875 -1.529 -6.457 652 H GLY 9 HN GLY 9 1.520 -2.311 -11.628 653 1HA GLY 9 HAR GLY 9 3.840 -3.779 -11.646 654 2HA GLY 9 HAS GLY 9 2.989 -3.273 -13.130 655 H ARG 10 HN ARG 10 3.382 -0.422 -12.651 656 HA ARG 10 HA ARG 10 6.067 -0.157 -13.670 657 1HB ARG 10 HBR ARG 10 4.046 1.161 -14.423 658 2HB ARG 10 HBS ARG 10 4.169 2.074 -12.891 659 1HG ARG 10 HGS ARG 10 5.446 3.493 -14.066 660 2HG ARG 10 HGR ARG 10 6.727 2.262 -13.875 661 1HD ARG 10 HDS ARG 10 6.063 1.251 -15.991 662 2HD ARG 10 HDR ARG 10 4.794 2.493 -16.183 663 HE ARG 10 HE ARG 10 6.423 3.833 -17.075 664 1HH1 ARG 10 HH1 ARG 10 8.013 1.471 -14.998 665 2HH1 ARG 10 HH1 ARG 10 9.574 2.200 -15.178 666 1HH2 ARG 10 HH2 ARG 10 8.453 4.834 -17.182 667 2HH2 ARG 10 HH2 ARG 10 9.824 4.104 -16.416 668 H ILE 11 HN ILE 11 4.464 0.428 -10.597 669 HA ILE 11 HA ILE 11 6.571 1.767 -9.244 670 HB ILE 11 HB ILE 11 4.577 -0.270 -8.131 671 1HG1 ILE 11 HG1 ILE 11 4.351 2.715 -8.641 672 2HG1 ILE 11 HG1 ILE 11 3.358 1.398 -9.327 673 1HG2 ILE 11 HMG ILE 11 6.719 0.905 -6.842 674 2HG2 ILE 11 HMG ILE 11 5.336 1.939 -6.393 675 3HG2 ILE 11 HMG ILE 11 5.278 0.186 -6.075 676 1HD1 ILE 11 HMD ILE 11 2.972 1.085 -6.619 677 2HD1 ILE 11 HMD ILE 11 3.086 2.856 -6.795 678 3HD1 ILE 11 HMD ILE 11 1.878 1.942 -7.738 679 H ILE 12 HN ILE 12 5.846 -1.721 -9.602 680 HA ILE 12 HA ILE 12 8.205 -2.547 -8.260 681 HB ILE 12 HB ILE 12 6.714 -4.256 -10.290 682 1HG1 ILE 12 HG1 ILE 12 4.901 -3.279 -9.169 683 2HG1 ILE 12 HG1 ILE 12 5.146 -4.858 -8.374 684 1HG2 ILE 12 HMG ILE 12 8.695 -4.755 -8.299 685 2HG2 ILE 12 HMG ILE 12 7.195 -5.616 -7.859 686 3HG2 ILE 12 HMG ILE 12 7.939 -5.880 -9.460 687 1HD1 ILE 12 HMD ILE 12 6.274 -2.289 -7.246 688 2HD1 ILE 12 HMD ILE 12 4.629 -2.870 -6.872 689 3HD1 ILE 12 HMD ILE 12 6.047 -3.861 -6.435 690 H LYS 13 HN LYS 13 7.477 -1.868 -11.634 691 HA LYS 13 HA LYS 13 9.923 -2.748 -12.811 692 1HB LYS 13 HBR LYS 13 7.720 -0.898 -13.495 693 2HB LYS 13 HBS LYS 13 9.306 -0.490 -14.205 694 1HG LYS 13 HGR LYS 13 8.014 -1.873 -15.752 695 2HG LYS 13 HGS LYS 13 9.450 -2.763 -15.173 696 1HD LYS 13 HDS LYS 13 8.140 -4.436 -14.644 697 2HD LYS 13 HDR LYS 13 7.535 -3.448 -13.344 698 1HE LYS 13 HES LYS 13 5.736 -4.431 -14.695 699 2HE LYS 13 HER LYS 13 5.714 -2.644 -14.666 700 1HZ LYS 13 HZC LYS 13 7.140 -3.960 -16.816 701 2HZ LYS 13 HZA LYS 13 5.508 -3.969 -16.874 702 3HZ LYS 13 HZB LYS 13 6.315 -2.550 -16.820 703 H ASP 14 HN ASP 14 8.899 0.398 -11.438 704 HA ASP 14 HA ASP 14 11.242 1.729 -11.708 705 1HB ASP 14 HBS ASP 14 9.053 2.647 -10.962 706 2HB ASP 14 HBR ASP 14 9.437 2.049 -9.320 707 H ALA 15 HN ALA 15 10.374 -0.476 -9.095 708 HA ALA 15 HA ALA 15 12.735 -0.536 -7.631 709 1HB ALA 15 HMB ALA 15 10.445 -2.042 -7.777 710 2HB ALA 15 HMB ALA 15 11.693 -3.188 -8.329 711 3HB ALA 15 HMB ALA 15 11.853 -2.392 -6.743 712 H GLY 16 HN GLY 16 12.009 -2.126 -10.730 713 1HA GLY 16 HAR GLY 16 14.002 -2.502 -12.186 714 2HA GLY 16 HAS GLY 16 14.782 -3.260 -10.772 715 H ALA 17 HN ALA 17 11.365 -3.724 -11.233 716 HA ALA 17 HA ALA 17 11.639 -6.524 -11.632 717 1HB ALA 17 HMB ALA 17 9.773 -5.143 -10.510 718 2HB ALA 17 HMB ALA 17 9.118 -4.967 -12.158 719 3HB ALA 17 HMB ALA 17 9.324 -6.589 -11.450 720 H GLU 18 HN GLU 18 10.289 -7.649 -13.366 721 HA GLU 18 HA GLU 18 9.600 -6.349 -15.760 722 1HB GLU 18 HBR GLU 18 12.192 -6.406 -15.799 723 2HB GLU 18 HBS GLU 18 12.032 -8.068 -15.963 724 1HG GLU 18 HGS GLU 18 11.584 -8.071 -18.108 725 2HG GLU 18 HGR GLU 18 10.334 -6.802 -17.987 726 H ARG 19 HN ARG 19 10.582 -9.280 -14.068 727 HA ARG 19 HA ARG 19 8.422 -10.754 -15.489 728 1HB ARG 19 HBR ARG 19 10.689 -11.670 -15.737 729 2HB ARG 19 HBS ARG 19 10.820 -11.818 -13.960 730 1HG ARG 19 HGS ARG 19 10.263 -13.974 -14.577 731 2HG ARG 19 HGR ARG 19 8.662 -13.278 -14.197 732 1HD ARG 19 HDS ARG 19 7.953 -13.577 -16.263 733 2HD ARG 19 HDR ARG 19 9.402 -12.784 -16.944 734 HE ARG 19 HE ARG 19 9.904 -15.489 -16.034 735 1HH1 ARG 19 HH1 ARG 19 9.028 -13.419 -18.750 736 2HH1 ARG 19 HH1 ARG 19 9.278 -14.668 -19.924 737 1HH2 ARG 19 HH2 ARG 19 10.096 -17.132 -17.585 738 2HH2 ARG 19 HH2 ARG 19 9.884 -16.769 -19.265 739 H VAL 20 HN VAL 20 6.779 -9.888 -14.160 740 HA VAL 20 HA VAL 20 6.645 -11.344 -11.579 741 HB VAL 20 HB VAL 20 4.787 -9.595 -11.050 742 1HG1 VAL 20 HMG VAL 20 7.752 -9.254 -10.696 743 2HG1 VAL 20 HMG VAL 20 6.610 -8.050 -10.054 744 3HG1 VAL 20 HMG VAL 20 6.512 -9.744 -9.516 745 1HG2 VAL 20 HMG VAL 20 5.782 -8.480 -13.444 746 2HG2 VAL 20 HMG VAL 20 4.581 -7.801 -12.319 747 3HG2 VAL 20 HMG VAL 20 6.307 -7.412 -12.119 748 H SER 21 HN SER 21 5.196 -12.866 -11.519 749 HA SER 21 HA SER 21 3.277 -13.410 -13.587 750 1HB SER 21 HBS SER 21 2.483 -15.124 -12.228 751 2HB SER 21 HBR SER 21 4.233 -15.044 -11.872 752 HG SER 21 HG SER 21 2.985 -15.352 -10.006 753 H ASP 22 HN ASP 22 0.930 -13.456 -13.175 754 HA ASP 22 HA ASP 22 -0.151 -10.973 -12.243 755 1HB ASP 22 HBS ASP 22 -1.080 -12.883 -13.871 756 2HB ASP 22 HBR ASP 22 -1.931 -13.324 -12.362 757 H ASP 23 HN ASP 23 0.996 -13.759 -10.670 758 HA ASP 23 HA ASP 23 -0.502 -13.456 -8.278 759 1HB ASP 23 HBS ASP 23 1.335 -15.286 -9.289 760 2HB ASP 23 HBR ASP 23 2.083 -14.634 -7.802 761 H ALA 24 HN ALA 24 2.902 -12.566 -8.947 762 HA ALA 24 HA ALA 24 3.333 -11.184 -6.597 763 1HB ALA 24 HMB ALA 24 4.652 -11.507 -9.131 764 2HB ALA 24 HMB ALA 24 4.808 -9.821 -8.574 765 3HB ALA 24 HMB ALA 24 5.338 -11.160 -7.524 766 H ARG 25 HN ARG 25 2.158 -9.880 -9.706 767 HA ARG 25 HA ARG 25 1.949 -7.213 -8.967 768 1HB ARG 25 HBR ARG 25 1.087 -8.843 -11.142 769 2HB ARG 25 HBS ARG 25 -0.301 -7.844 -10.619 770 1HG ARG 25 HGS ARG 25 0.861 -5.826 -11.031 771 2HG ARG 25 HGR ARG 25 2.432 -6.666 -11.169 772 1HD ARG 25 HDS ARG 25 0.453 -7.685 -13.034 773 2HD ARG 25 HDR ARG 25 0.745 -5.935 -13.233 774 HE ARG 25 HE ARG 25 3.260 -6.827 -13.148 775 1HH1 ARG 25 HH1 ARG 25 0.463 -7.858 -15.031 776 2HH1 ARG 25 HH1 ARG 25 1.428 -8.623 -16.249 777 1HH2 ARG 25 HH2 ARG 25 4.483 -7.949 -14.692 778 2HH2 ARG 25 HH2 ARG 25 3.703 -8.674 -16.059 779 H ILE 26 HN ILE 26 -0.585 -9.737 -8.772 780 HA ILE 26 HA ILE 26 -2.483 -7.982 -7.583 781 HB ILE 26 HB ILE 26 -2.386 -11.030 -7.795 782 1HG1 ILE 26 HG1 ILE 26 -2.334 -9.597 -9.892 783 2HG1 ILE 26 HG1 ILE 26 -3.629 -10.824 -9.787 784 1HG2 ILE 26 HMG ILE 26 -4.487 -9.208 -6.705 785 2HG2 ILE 26 HMG ILE 26 -4.983 -10.649 -7.633 786 3HG2 ILE 26 HMG ILE 26 -3.979 -10.833 -6.170 787 1HD1 ILE 26 HMD ILE 26 -3.994 -7.880 -9.161 788 2HD1 ILE 26 HMD ILE 26 -4.378 -8.646 -10.726 789 3HD1 ILE 26 HMD ILE 26 -5.262 -9.132 -9.255 790 H THR 27 HN THR 27 -0.090 -10.211 -6.282 791 HA THR 27 HA THR 27 -1.083 -10.465 -3.664 792 HB THR 27 HB THR 27 1.802 -10.561 -4.706 793 HG1 THR 27 HG1 THR 27 0.795 -11.876 -5.551 794 1HG2 THR 27 HMG THR 27 1.733 -10.140 -2.246 795 2HG2 THR 27 HMG THR 27 0.796 -11.646 -2.064 796 3HG2 THR 27 HMG THR 27 2.458 -11.704 -2.703 797 H LEU 28 HN LEU 28 1.220 -8.102 -5.033 798 HA LEU 28 HA LEU 28 1.659 -6.660 -2.575 799 1HB LEU 28 HBR LEU 28 2.854 -6.840 -4.989 800 2HB LEU 28 HBS LEU 28 1.894 -5.361 -5.244 801 HG LEU 28 HG LEU 28 3.114 -4.124 -3.729 802 1HD1 LEU 28 HMD LEU 28 3.024 -5.744 -1.847 803 2HD1 LEU 28 HMD LEU 28 4.351 -6.658 -2.607 804 3HD1 LEU 28 HMD LEU 28 4.621 -4.985 -2.059 805 1HD2 LEU 28 HMD LEU 28 4.463 -5.740 -5.653 806 2HD2 LEU 28 HMD LEU 28 4.868 -4.104 -5.075 807 3HD2 LEU 28 HMD LEU 28 5.538 -5.533 -4.246 808 H ALA 29 HN ALA 29 -0.302 -5.998 -5.499 809 HA ALA 29 HA ALA 29 -1.739 -3.872 -4.581 810 1HB ALA 29 HMB ALA 29 -1.835 -5.541 -6.779 811 2HB ALA 29 HMB ALA 29 -3.450 -5.730 -6.049 812 3HB ALA 29 HMB ALA 29 -2.854 -4.108 -6.490 813 H LYS 30 HN LYS 30 -2.300 -7.279 -3.835 814 HA LYS 30 HA LYS 30 -4.684 -6.733 -2.311 815 1HB LYS 30 HBR LYS 30 -3.055 -9.101 -3.033 816 2HB LYS 30 HBS LYS 30 -3.915 -9.196 -1.469 817 1HG LYS 30 HGR LYS 30 -5.833 -8.193 -3.233 818 2HG LYS 30 HGS LYS 30 -4.949 -9.408 -4.200 819 1HD LYS 30 HDS LYS 30 -6.257 -10.922 -3.288 820 2HD LYS 30 HDR LYS 30 -5.255 -10.736 -1.874 821 1HE LYS 30 HES LYS 30 -7.585 -8.903 -2.202 822 2HE LYS 30 HER LYS 30 -7.845 -10.596 -1.694 823 1HZ LYS 30 HZC LYS 30 -6.178 -10.153 0.053 824 2HZ LYS 30 HZA LYS 30 -6.206 -8.569 -0.345 825 3HZ LYS 30 HZB LYS 30 -7.557 -9.292 0.220 826 H ILE 31 HN ILE 31 -1.265 -6.915 -1.629 827 HA ILE 31 HA ILE 31 -1.442 -6.937 1.268 828 HB ILE 31 HB ILE 31 0.686 -6.073 -0.743 829 1HG1 ILE 31 HG1 ILE 31 0.988 -8.300 1.251 830 2HG1 ILE 31 HG1 ILE 31 -0.077 -8.542 -0.164 831 1HG2 ILE 31 HMG ILE 31 0.654 -4.834 1.579 832 2HG2 ILE 31 HMG ILE 31 1.371 -6.364 2.149 833 3HG2 ILE 31 HMG ILE 31 2.173 -5.429 0.859 834 1HD1 ILE 31 HMD ILE 31 2.809 -7.650 -0.379 835 2HD1 ILE 31 HMD ILE 31 2.295 -9.358 -0.428 836 3HD1 ILE 31 HMD ILE 31 1.732 -8.221 -1.682 837 H LEU 32 HN LEU 32 -0.342 -4.281 -0.839 838 HA LEU 32 HA LEU 32 -0.742 -2.331 0.987 839 1HB LEU 32 HBR LEU 32 -0.648 -2.341 -2.021 840 2HB LEU 32 HBS LEU 32 -0.825 -0.808 -1.121 841 HG LEU 32 HG LEU 32 1.392 -2.519 -0.210 842 1HD1 LEU 32 HMD LEU 32 1.055 -2.385 -2.958 843 2HD1 LEU 32 HMD LEU 32 2.153 -1.027 -2.609 844 3HD1 LEU 32 HMD LEU 32 2.588 -2.677 -2.098 845 1HD2 LEU 32 HMD LEU 32 0.810 0.367 -0.858 846 2HD2 LEU 32 HMD LEU 32 1.238 -0.377 0.705 847 3HD2 LEU 32 HMD LEU 32 2.478 -0.189 -0.562 848 H GLU 33 HN GLU 33 -3.209 -3.845 -0.880 849 HA GLU 33 HA GLU 33 -5.271 -1.907 -0.346 850 1HB GLU 33 HBR GLU 33 -5.322 -3.591 -2.120 851 2HB GLU 33 HBS GLU 33 -5.173 -4.821 -0.988 852 1HG GLU 33 HGS GLU 33 -7.522 -4.302 -1.988 853 2HG GLU 33 HGR GLU 33 -7.395 -4.836 -0.291 854 H GLU 34 HN GLU 34 -4.393 -5.043 1.167 855 HA GLU 34 HA GLU 34 -6.443 -4.919 3.214 856 1HB GLU 34 HBR GLU 34 -4.611 -6.748 2.170 857 2HB GLU 34 HBS GLU 34 -3.960 -6.364 3.668 858 1HG GLU 34 HGS GLU 34 -5.274 -8.272 4.062 859 2HG GLU 34 HGR GLU 34 -6.125 -6.923 4.860 860 H MET 35 HN MET 35 -3.031 -3.985 2.905 861 HA MET 35 HA MET 35 -2.689 -2.910 5.540 862 1HB MET 35 HBS MET 35 -1.048 -3.283 3.406 863 2HB MET 35 HBR MET 35 -1.371 -1.534 3.275 864 1HG MET 35 HGS MET 35 0.516 -1.618 4.700 865 2HG MET 35 HGR MET 35 -0.859 -1.443 5.815 866 1HE MET 35 HME MET 35 1.058 -3.755 3.712 867 2HE MET 35 HME MET 35 2.078 -4.551 4.936 868 3HE MET 35 HME MET 35 0.635 -5.381 4.303 869 H GLY 36 HN GLY 36 -3.778 -1.516 2.436 870 1HA GLY 36 HAR GLY 36 -3.998 1.123 3.346 871 2HA GLY 36 HAS GLY 36 -4.833 0.457 1.917 872 H ARG 37 HN ARG 37 -6.437 -1.474 3.185 873 HA ARG 37 HA ARG 37 -8.637 0.007 4.280 874 1HB ARG 37 HBR ARG 37 -8.454 -2.427 3.200 875 2HB ARG 37 HBS ARG 37 -8.284 -2.888 4.918 876 1HG ARG 37 HGS ARG 37 -10.515 -2.940 4.976 877 2HG ARG 37 HGR ARG 37 -10.448 -1.156 4.931 878 1HD ARG 37 HDS ARG 37 -11.500 -1.179 3.003 879 2HD ARG 37 HDR ARG 37 -10.136 -2.078 2.282 880 HE ARG 37 HE ARG 37 -11.518 -3.904 2.198 881 1HH1 ARG 37 HH1 ARG 37 -12.815 -1.686 4.611 882 2HH1 ARG 37 HH1 ARG 37 -14.084 -2.767 5.081 883 1HH2 ARG 37 HH2 ARG 37 -13.109 -5.342 2.929 884 2HH2 ARG 37 HH2 ARG 37 -14.253 -4.835 4.127 885 H ASP 38 HN ASP 38 -5.813 -1.617 5.611 886 HA ASP 38 HA ASP 38 -6.638 -1.466 8.307 887 1HB ASP 38 HBS ASP 38 -4.582 -2.661 6.970 888 2HB ASP 38 HBR ASP 38 -3.744 -1.397 7.915 889 H ILE 39 HN ILE 39 -4.592 0.712 6.369 890 HA ILE 39 HA ILE 39 -4.125 2.589 8.483 891 HB ILE 39 HB ILE 39 -4.256 3.514 5.609 892 1HG1 ILE 39 HG1 ILE 39 -2.217 1.524 6.663 893 2HG1 ILE 39 HG1 ILE 39 -3.293 1.372 5.247 894 1HG2 ILE 39 HMG ILE 39 -2.880 4.259 8.088 895 2HG2 ILE 39 HMG ILE 39 -1.853 4.297 6.629 896 3HG2 ILE 39 HMG ILE 39 -3.366 5.241 6.679 897 1HD1 ILE 39 HMD ILE 39 -1.653 3.709 4.940 898 2HD1 ILE 39 HMD ILE 39 -0.627 2.299 5.321 899 3HD1 ILE 39 HMD ILE 39 -1.744 2.240 3.932 900 H ALA 40 HN ALA 40 -6.843 1.844 6.509 901 HA ALA 40 HA ALA 40 -8.029 4.491 6.381 902 1HB ALA 40 HMB ALA 40 -8.462 2.601 4.777 903 2HB ALA 40 HMB ALA 40 -9.391 1.806 6.073 904 3HB ALA 40 HMB ALA 40 -9.912 3.390 5.447 905 H SER 41 HN SER 41 -9.260 1.512 7.940 906 HA SER 41 HA SER 41 -10.939 2.849 9.733 907 1HB SER 41 HBS SER 41 -11.071 0.751 10.970 908 2HB SER 41 HBR SER 41 -11.209 0.492 9.208 909 HG SER 41 HG SER 41 -9.201 -0.153 11.136 910 H GLU 42 HN GLU 42 -7.526 2.406 9.823 911 HA GLU 42 HA GLU 42 -7.095 3.178 12.574 912 1HB GLU 42 HBR GLU 42 -5.579 3.079 10.006 913 2HB GLU 42 HBS GLU 42 -5.042 4.162 11.169 914 1HG GLU 42 HGS GLU 42 -3.804 2.140 11.461 915 2HG GLU 42 HGR GLU 42 -4.798 2.402 12.920 916 H ALA 43 HN ALA 43 -6.887 5.019 9.492 917 HA ALA 43 HA ALA 43 -6.610 7.576 10.778 918 1HB ALA 43 HMB ALA 43 -6.058 6.722 8.339 919 2HB ALA 43 HMB ALA 43 -7.710 7.306 8.015 920 3HB ALA 43 HMB ALA 43 -6.483 8.421 8.670 921 H ILE 44 HN ILE 44 -9.254 5.470 10.216 922 HA ILE 44 HA ILE 44 -11.219 7.616 10.286 923 HB ILE 44 HB ILE 44 -11.360 4.584 9.955 924 1HG1 ILE 44 HG1 ILE 44 -11.926 6.865 8.023 925 2HG1 ILE 44 HG1 ILE 44 -10.394 5.953 8.128 926 1HG2 ILE 44 HMG ILE 44 -13.675 6.533 9.898 927 2HG2 ILE 44 HMG ILE 44 -13.731 4.839 9.343 928 3HG2 ILE 44 HMG ILE 44 -13.414 5.205 11.060 929 1HD1 ILE 44 HMD ILE 44 -12.289 3.962 7.832 930 2HD1 ILE 44 HMD ILE 44 -12.910 5.274 6.794 931 3HD1 ILE 44 HMD ILE 44 -11.263 4.638 6.538 932 H LYS 45 HN LYS 45 -10.585 4.669 12.231 933 HA LYS 45 HA LYS 45 -12.042 5.407 14.535 934 1HB LYS 45 HBR LYS 45 -9.582 3.717 14.095 935 2HB LYS 45 HBS LYS 45 -10.193 4.062 15.739 936 1HG LYS 45 HGR LYS 45 -12.434 3.141 14.973 937 2HG LYS 45 HGS LYS 45 -11.603 2.582 13.493 938 1HD LYS 45 HDS LYS 45 -10.230 1.809 15.954 939 2HD LYS 45 HDR LYS 45 -11.869 1.224 15.879 940 1HE LYS 45 HES LYS 45 -10.803 0.755 13.322 941 2HE LYS 45 HER LYS 45 -9.555 0.275 14.506 942 1HZ LYS 45 HZB LYS 45 -11.908 -0.673 15.485 943 2HZ LYS 45 HZC LYS 45 -11.992 -0.990 13.886 944 3HZ LYS 45 HZA LYS 45 -10.733 -1.547 14.764 945 H LEU 46 HN LEU 46 -8.911 6.428 13.303 946 HA LEU 46 HA LEU 46 -8.090 8.045 15.528 947 1HB LEU 46 HBR LEU 46 -7.552 7.870 12.582 948 2HB LEU 46 HBS LEU 46 -7.010 9.311 13.490 949 HG LEU 46 HG LEU 46 -6.260 6.572 14.457 950 1HD1 LEU 46 HMD LEU 46 -5.325 7.941 11.984 951 2HD1 LEU 46 HMD LEU 46 -4.074 7.256 13.052 952 3HD1 LEU 46 HMD LEU 46 -5.359 6.208 12.399 953 1HD2 LEU 46 HMD LEU 46 -5.927 8.922 15.569 954 2HD2 LEU 46 HMD LEU 46 -4.599 7.733 15.576 955 3HD2 LEU 46 HMD LEU 46 -4.592 9.071 14.399 956 H ALA 47 HN ALA 47 -9.995 8.707 12.573 957 HA ALA 47 HA ALA 47 -10.265 11.470 13.088 958 1HB ALA 47 HMB ALA 47 -10.498 10.280 10.888 959 2HB ALA 47 HMB ALA 47 -12.121 9.765 11.413 960 3HB ALA 47 HMB ALA 47 -11.752 11.499 11.235 961 H ARG 48 HN ARG 48 -12.438 8.721 13.728 962 HA ARG 48 HA ARG 48 -14.597 10.246 14.690 963 1HB ARG 48 HBR ARG 48 -14.233 7.630 14.123 964 2HB ARG 48 HBS ARG 48 -14.177 7.571 15.908 965 1HG ARG 48 HGS ARG 48 -16.375 8.948 15.787 966 2HG ARG 48 HGR ARG 48 -16.442 8.386 14.092 967 1HD ARG 48 HDS ARG 48 -17.688 6.836 15.308 968 2HD ARG 48 HDR ARG 48 -16.110 6.051 15.016 969 HE ARG 48 HE ARG 48 -15.704 6.079 17.295 970 1HH1 ARG 48 HH1 ARG 48 -18.637 7.903 16.585 971 2HH1 ARG 48 HH1 ARG 48 -18.975 8.219 18.254 972 1HH2 ARG 48 HH2 ARG 48 -16.110 6.623 19.458 973 2HH2 ARG 48 HH2 ARG 48 -17.546 7.493 19.880 974 H HIS 49 HN HIS 49 -11.872 8.721 16.407 975 HA HIS 49 HA HIS 49 -12.546 9.539 19.025 976 1HB HIS 49 HBS HIS 49 -10.610 7.976 18.300 977 2HB HIS 49 HBR HIS 49 -9.677 9.479 18.042 978 HD1 HIS 49 HD1 HIS 49 -11.105 7.300 20.788 979 HD2 HIS 49 HD2 HIS 49 -9.072 10.912 20.372 980 HE1 HIS 49 HE1 HIS 49 -10.437 8.006 23.098 981 HE2 HIS 49 HE2 HIS 49 -9.226 10.202 22.855 982 H ALA 50 HN ALA 50 -10.896 11.217 16.375 983 HA ALA 50 HA ALA 50 -10.421 13.703 17.697 984 1HB ALA 50 HMB ALA 50 -10.377 12.631 15.015 985 2HB ALA 50 HMB ALA 50 -11.157 14.233 15.044 986 3HB ALA 50 HMB ALA 50 -9.513 14.030 15.701 987 H GLY 51 HN GLY 51 -13.224 12.380 15.932 988 1HA GLY 51 HAR GLY 51 -15.439 13.194 16.742 989 2HA GLY 51 HAS GLY 51 -14.771 14.844 16.636 990 H ARG 52 HN ARG 52 -13.834 12.492 14.243 991 HA ARG 52 HA ARG 52 -14.275 12.236 12.017 992 1HB ARG 52 HBR ARG 52 -16.532 11.863 11.456 993 2HB ARG 52 HBS ARG 52 -16.311 11.329 13.146 994 1HG ARG 52 HGS ARG 52 -17.302 14.107 12.782 995 2HG ARG 52 HGR ARG 52 -18.407 12.802 12.268 996 1HD ARG 52 HDS ARG 52 -18.720 12.049 14.357 997 2HD ARG 52 HDR ARG 52 -17.052 12.434 14.867 998 HE ARG 52 HE ARG 52 -18.159 14.899 14.589 999 1HH1 ARG 52 HH1 ARG 52 -19.543 12.006 16.056 1000 2HH1 ARG 52 HH1 ARG 52 -20.319 12.890 17.327 1001 1HH2 ARG 52 HH2 ARG 52 -19.088 16.006 16.335 1002 2HH2 ARG 52 HH2 ARG 52 -20.064 15.154 17.484 1003 H LYS 53 HN LYS 53 -16.198 13.350 10.344 1004 HA LYS 53 HA LYS 53 -16.360 15.071 8.827 1005 1HB LYS 53 HBR LYS 53 -16.087 16.501 11.333 1006 2HB LYS 53 HBS LYS 53 -15.178 17.318 10.030 1007 1HG LYS 53 HGR LYS 53 -17.469 16.865 8.703 1008 2HG LYS 53 HGS LYS 53 -18.123 16.918 10.366 1009 1HD LYS 53 HDS LYS 53 -16.932 19.100 10.674 1010 2HD LYS 53 HDR LYS 53 -16.514 19.051 8.984 1011 1HE LYS 53 HES LYS 53 -19.363 18.626 9.414 1012 2HE LYS 53 HER LYS 53 -18.764 20.183 10.051 1013 1HZ LYS 53 HZB LYS 53 -17.693 20.446 7.833 1014 2HZ LYS 53 HZC LYS 53 -18.574 19.177 7.303 1015 3HZ LYS 53 HZA LYS 53 -19.324 20.529 7.832 1016 H THR 54 HN THR 54 -14.883 14.311 7.428 1017 HA THR 54 HA THR 54 -13.088 14.538 6.043 1018 HB THR 54 HB THR 54 -12.117 16.879 7.750 1019 HG1 THR 54 HG1 THR 54 -13.907 17.288 7.687 1020 1HG2 THR 54 HMG THR 54 -11.448 15.864 5.155 1021 2HG2 THR 54 HMG THR 54 -12.173 17.482 4.983 1022 3HG2 THR 54 HMG THR 54 -10.756 17.249 6.038 1023 H ILE 55 HN ILE 55 -11.462 13.206 5.951 1024 HA ILE 55 HA ILE 55 -9.685 12.804 8.288 1025 HB ILE 55 HB ILE 55 -9.653 11.389 5.580 1026 1HG1 ILE 55 HG1 ILE 55 -11.829 11.226 6.883 1027 2HG1 ILE 55 HG1 ILE 55 -11.044 9.686 6.430 1028 1HG2 ILE 55 HMG ILE 55 -7.566 11.282 6.937 1029 2HG2 ILE 55 HMG ILE 55 -8.502 10.471 8.220 1030 3HG2 ILE 55 HMG ILE 55 -8.325 9.700 6.621 1031 1HD1 ILE 55 HMD ILE 55 -10.642 10.934 9.150 1032 2HD1 ILE 55 HMD ILE 55 -12.037 9.884 8.786 1033 3HD1 ILE 55 HMD ILE 55 -10.378 9.246 8.636 1034 H LYS 56 HN LYS 56 -7.439 13.082 8.085 1035 HA LYS 56 HA LYS 56 -6.698 15.180 6.096 1036 1HB LYS 56 HBR LYS 56 -6.010 15.093 9.052 1037 2HB LYS 56 HBS LYS 56 -5.530 16.346 7.873 1038 1HG LYS 56 HGR LYS 56 -8.316 16.239 7.664 1039 2HG LYS 56 HGS LYS 56 -7.998 16.065 9.415 1040 1HD LYS 56 HDS LYS 56 -8.069 18.305 9.322 1041 2HD LYS 56 HDR LYS 56 -6.369 18.043 9.043 1042 1HE LYS 56 HES LYS 56 -7.861 18.018 6.552 1043 2HE LYS 56 HER LYS 56 -8.071 19.531 7.478 1044 1HZ LYS 56 HZA LYS 56 -5.381 18.599 7.376 1045 2HZ LYS 56 HZB LYS 56 -5.986 18.967 5.904 1046 3HZ LYS 56 HZC LYS 56 -5.982 20.090 7.090 1047 H ALA 57 HN ALA 57 -4.457 15.448 5.711 1048 HA ALA 57 HA ALA 57 -3.131 13.095 5.174 1049 1HB ALA 57 HMB ALA 57 -2.019 15.893 5.508 1050 2HB ALA 57 HMB ALA 57 -1.126 14.527 4.792 1051 3HB ALA 57 HMB ALA 57 -2.614 15.125 4.014 1052 H GLU 58 HN GLU 58 -2.982 15.076 8.072 1053 HA GLU 58 HA GLU 58 -0.795 13.780 9.395 1054 1HB GLU 58 HBR GLU 58 -2.679 15.791 9.861 1055 2HB GLU 58 HBS GLU 58 -3.135 14.575 10.924 1056 1HG GLU 58 HGS GLU 58 -1.706 15.364 12.396 1057 2HG GLU 58 HGR GLU 58 -0.419 14.563 11.456 1058 H ASP 59 HN ASP 59 -4.347 13.309 9.688 1059 HA ASP 59 HA ASP 59 -4.196 11.092 11.293 1060 1HB ASP 59 HBS ASP 59 -6.251 12.492 9.876 1061 2HB ASP 59 HBR ASP 59 -6.543 10.731 9.798 1062 H ILE 60 HN ILE 60 -3.472 11.261 7.965 1063 HA ILE 60 HA ILE 60 -3.799 8.461 7.434 1064 HB ILE 60 HB ILE 60 -2.313 10.685 5.955 1065 1HG1 ILE 60 HG1 ILE 60 -4.629 11.171 6.075 1066 2HG1 ILE 60 HG1 ILE 60 -4.320 10.542 4.432 1067 1HG2 ILE 60 HMG ILE 60 -1.628 8.199 5.500 1068 2HG2 ILE 60 HMG ILE 60 -3.162 8.161 4.592 1069 3HG2 ILE 60 HMG ILE 60 -1.895 9.337 4.153 1070 1HD1 ILE 60 HMD ILE 60 -5.061 8.257 5.501 1071 2HD1 ILE 60 HMD ILE 60 -5.852 9.318 6.699 1072 3HD1 ILE 60 HMD ILE 60 -6.272 9.455 4.971 1073 H GLU 61 HN GLU 61 -0.833 10.472 7.617 1074 HA GLU 61 HA GLU 61 0.987 8.253 7.900 1075 1HB GLU 61 HBR GLU 61 1.066 11.211 8.484 1076 2HB GLU 61 HBS GLU 61 2.315 10.185 8.934 1077 1HG GLU 61 HGS GLU 61 2.705 9.383 6.689 1078 2HG GLU 61 HGR GLU 61 1.422 10.429 6.025 1079 H LEU 62 HN LEU 62 -1.296 9.763 9.981 1080 HA LEU 62 HA LEU 62 0.077 8.887 12.427 1081 1HB LEU 62 HBR LEU 62 -1.190 11.097 11.960 1082 2HB LEU 62 HBS LEU 62 -2.664 10.123 12.226 1083 HG LEU 62 HG LEU 62 -1.743 9.537 14.492 1084 1HD1 LEU 62 HMD LEU 62 0.623 10.164 13.928 1085 2HD1 LEU 62 HMD LEU 62 0.112 11.871 13.939 1086 3HD1 LEU 62 HMD LEU 62 0.000 10.899 15.427 1087 1HD2 LEU 62 HMD LEU 62 -3.330 11.505 13.680 1088 2HD2 LEU 62 HMD LEU 62 -2.810 11.363 15.378 1089 3HD2 LEU 62 HMD LEU 62 -1.991 12.511 14.289 1090 H ALA 63 HN ALA 63 -2.584 7.961 10.330 1091 HA ALA 63 HA ALA 63 -3.473 5.677 11.902 1092 1HB ALA 63 HMB ALA 63 -3.691 6.562 9.034 1093 2HB ALA 63 HMB ALA 63 -4.124 4.903 9.518 1094 3HB ALA 63 HMB ALA 63 -4.975 6.292 10.240 1095 H VAL 64 HN VAL 64 -0.950 6.466 9.557 1096 HA VAL 64 HA VAL 64 0.235 3.834 9.439 1097 HB VAL 64 HB VAL 64 1.155 6.640 8.812 1098 1HG1 VAL 64 HMG VAL 64 3.071 5.137 9.611 1099 2HG1 VAL 64 HMG VAL 64 2.807 4.213 8.112 1100 3HG1 VAL 64 HMG VAL 64 3.243 5.937 8.031 1101 1HG2 VAL 64 HMG VAL 64 0.302 4.272 7.166 1102 2HG2 VAL 64 HMG VAL 64 -0.336 5.934 7.182 1103 3HG2 VAL 64 HMG VAL 64 1.266 5.602 6.478 1104 H ARG 65 HN ARG 65 1.590 6.784 10.923 1105 HA ARG 65 HA ARG 65 3.361 5.510 12.530 1106 1HB ARG 65 HBR ARG 65 2.053 8.185 12.652 1107 2HB ARG 65 HBS ARG 65 2.945 7.640 14.100 1108 1HG ARG 65 HGS ARG 65 4.710 7.079 12.054 1109 2HG ARG 65 HGR ARG 65 3.940 8.594 11.507 1110 1HD ARG 65 HDS ARG 65 4.485 9.669 13.588 1111 2HD ARG 65 HDR ARG 65 5.155 8.144 14.233 1112 HE ARG 65 HE ARG 65 6.412 9.954 12.302 1113 1HH1 ARG 65 HH1 ARG 65 6.542 6.956 14.152 1114 2HH1 ARG 65 HH1 ARG 65 8.178 6.617 13.695 1115 1HH2 ARG 65 HH2 ARG 65 8.509 9.417 11.631 1116 2HH2 ARG 65 HH2 ARG 65 9.293 8.012 12.272 1117 H ARG 66 HN ARG 66 -0.033 5.636 13.035 1118 HA ARG 66 HA ARG 66 -0.055 4.775 15.775 1119 1HB ARG 66 HBR ARG 66 -2.063 5.619 14.688 1120 2HB ARG 66 HBS ARG 66 -2.035 4.256 13.533 1121 1HG ARG 66 HGS ARG 66 -3.704 3.849 15.236 1122 2HG ARG 66 HGR ARG 66 -2.360 2.689 15.428 1123 1HD ARG 66 HDS ARG 66 -1.406 4.318 17.119 1124 2HD ARG 66 HDR ARG 66 -2.996 5.131 17.065 1125 HE ARG 66 HE ARG 66 -3.020 2.246 17.604 1126 1HH1 ARG 66 HH1 ARG 66 -2.832 5.462 19.035 1127 2HH1 ARG 66 HH1 ARG 66 -3.642 4.982 20.488 1128 1HH2 ARG 66 HH2 ARG 66 -4.191 1.686 19.463 1129 2HH2 ARG 66 HH2 ARG 66 -4.411 2.846 20.732 1130 H PHE 67 HN PHE 67 -0.201 3.016 12.658 1131 HA PHE 67 HA PHE 67 0.482 0.502 14.055 1132 1HB PHE 67 HBR PHE 67 0.297 -0.573 11.815 1133 2HB PHE 67 HBS PHE 67 -1.215 0.244 12.314 1134 HD1 PHE 67 HD1 PHE 67 1.885 0.695 10.392 1135 HD2 PHE 67 HD2 PHE 67 -2.268 1.607 10.661 1136 HE1 PHE 67 HE1 PHE 67 1.946 1.556 8.095 1137 HE2 PHE 67 HE2 PHE 67 -2.239 2.450 8.336 1138 HZ PHE 67 HZ PHE 67 -0.125 2.386 7.046 1139 H LYS 68 HN LYS 68 2.230 3.008 13.522 1140 HA LYS 68 HA LYS 68 4.589 1.370 12.726 1141 1HB LYS 68 HBR LYS 68 3.837 3.791 11.771 1142 2HB LYS 68 HBS LYS 68 4.869 4.294 13.140 1143 1HG LYS 68 HGR LYS 68 6.776 3.629 12.116 1144 2HG LYS 68 HGS LYS 68 6.016 2.168 11.422 1145 1HD LYS 68 HDS LYS 68 4.904 4.481 10.164 1146 2HD LYS 68 HDR LYS 68 6.638 4.641 10.178 1147 1HE LYS 68 HES LYS 68 6.751 2.265 9.273 1148 2HE LYS 68 HER LYS 68 4.999 2.444 8.973 1149 1HZ LYS 68 HZB LYS 68 6.946 4.391 7.981 1150 2HZ LYS 68 HZC LYS 68 6.550 3.060 7.122 1151 3HZ LYS 68 HZA LYS 68 5.403 4.162 7.496 1152 H LYS 69 HN LYS 69 4.749 0.315 14.738 1153 HA LYS 69 HA LYS 69 5.331 -0.012 16.929 1154 1HB LYS 69 HBR LYS 69 6.764 2.568 16.285 1155 2HB LYS 69 HBS LYS 69 6.849 1.815 17.903 1156 1HG LYS 69 HGR LYS 69 7.502 -0.334 16.460 1157 2HG LYS 69 HGS LYS 69 8.025 0.917 15.296 1158 1HD LYS 69 HDS LYS 69 9.396 1.957 17.061 1159 2HD LYS 69 HDR LYS 69 8.912 0.696 18.163 1160 1HE LYS 69 HES LYS 69 9.934 -0.491 15.752 1161 2HE LYS 69 HER LYS 69 11.091 0.690 16.428 1162 1HZ LYS 69 HZA LYS 69 9.842 -1.137 18.280 1163 2HZ LYS 69 HZB LYS 69 10.948 -1.776 17.262 1164 3HZ LYS 69 HZC LYS 69 11.366 -0.550 18.257 No H/Q in entry = 1164 Start of MODEL 20 Raw file had 1198 H/Q atoms Start of MODEL 20 1 1H MET 1 HNB MET 1 1.957 9.521 -10.616 2 2H MET 1 HN MET 1 2.255 8.945 -12.114 3 3H MET 1 HNC MET 1 0.966 8.400 -11.272 4 HA MET 1 HA MET 1 2.324 6.684 -10.952 5 1HB MET 1 HBS MET 1 4.814 7.084 -10.557 6 2HB MET 1 HBR MET 1 4.182 7.393 -12.199 7 1HG MET 1 HGS MET 1 3.968 9.848 -11.523 8 2HG MET 1 HGR MET 1 4.873 9.425 -10.049 9 1HE MET 1 HME MET 1 6.817 10.620 -10.216 10 2HE MET 1 HME MET 1 7.668 9.056 -10.141 11 3HE MET 1 HME MET 1 8.211 10.312 -11.283 12 H GLU 2 HN GLU 2 0.709 8.121 -9.201 13 HA GLU 2 HA GLU 2 2.044 7.626 -6.590 14 1HB GLU 2 HBR GLU 2 1.568 9.857 -5.902 15 2HB GLU 2 HBS GLU 2 2.549 9.819 -7.264 16 1HG GLU 2 HGS GLU 2 1.186 10.891 -8.629 17 2HG GLU 2 HGR GLU 2 -0.288 10.054 -8.069 18 H LEU 3 HN LEU 3 0.138 5.994 -7.688 19 HA LEU 3 HA LEU 3 -1.920 5.086 -7.437 20 1HB LEU 3 HBR LEU 3 -0.891 6.176 -4.853 21 2HB LEU 3 HBS LEU 3 -2.428 5.254 -4.899 22 HG LEU 3 HG LEU 3 -1.206 3.435 -6.057 23 1HD1 LEU 3 HMD LEU 3 0.925 5.460 -5.779 24 2HD1 LEU 3 HMD LEU 3 1.412 3.761 -5.544 25 3HD1 LEU 3 HMD LEU 3 0.613 4.256 -7.057 26 1HD2 LEU 3 HMD LEU 3 -1.570 3.495 -3.539 27 2HD2 LEU 3 HMD LEU 3 -0.165 2.532 -4.057 28 3HD2 LEU 3 HMD LEU 3 0.072 4.163 -3.385 29 HA PRO 4 HA PRO 4 -4.889 8.442 -8.213 30 1HB PRO 4 HBR PRO 4 -6.503 6.680 -9.450 31 2HB PRO 4 HBS PRO 4 -5.501 7.736 -10.209 32 1HG PRO 4 HGR PRO 4 -5.181 4.976 -9.891 33 2HG PRO 4 HGS PRO 4 -4.476 6.000 -11.005 34 1HD PRO 4 HDR PRO 4 -3.238 4.967 -8.860 35 2HD PRO 4 HDS PRO 4 -2.686 6.246 -9.751 36 H ILE 5 HN ILE 5 -6.661 9.054 -7.166 37 HA ILE 5 HA ILE 5 -6.951 7.466 -4.713 38 HB ILE 5 HB ILE 5 -7.910 9.482 -3.735 39 1HG1 ILE 5 HG1 ILE 5 -9.098 10.102 -5.932 40 2HG1 ILE 5 HG1 ILE 5 -8.547 11.413 -4.853 41 1HG2 ILE 5 HMG ILE 5 -5.353 9.827 -5.268 42 2HG2 ILE 5 HMG ILE 5 -5.999 11.139 -4.247 43 3HG2 ILE 5 HMG ILE 5 -5.620 9.553 -3.526 44 1HD1 ILE 5 HMD ILE 5 -6.448 10.883 -6.704 45 2HD1 ILE 5 HMD ILE 5 -7.975 11.000 -7.619 46 3HD1 ILE 5 HMD ILE 5 -7.468 12.338 -6.553 47 H ALA 6 HN ALA 6 -8.333 6.969 -7.437 48 HA ALA 6 HA ALA 6 -11.148 6.874 -6.624 49 1HB ALA 6 HMB ALA 6 -9.601 6.454 -9.043 50 2HB ALA 6 HMB ALA 6 -10.718 5.100 -8.740 51 3HB ALA 6 HMB ALA 6 -11.343 6.765 -8.838 52 HA PRO 7 HA PRO 7 -9.767 2.231 -6.116 53 1HB PRO 7 HBS PRO 7 -7.076 2.010 -5.976 54 2HB PRO 7 HBR PRO 7 -8.017 1.437 -7.193 55 1HG PRO 7 HGS PRO 7 -6.354 3.676 -7.166 56 2HG PRO 7 HGR PRO 7 -6.976 2.870 -8.488 57 1HD PRO 7 HDR PRO 7 -7.819 5.253 -7.617 58 2HD PRO 7 HDS PRO 7 -8.663 4.271 -8.647 59 H ILE 8 HN ILE 8 -7.269 4.265 -4.786 60 HA ILE 8 HA ILE 8 -7.335 3.232 -2.222 61 HB ILE 8 HB ILE 8 -6.706 6.079 -3.140 62 1HG1 ILE 8 HG1 ILE 8 -5.036 3.568 -2.791 63 2HG1 ILE 8 HG1 ILE 8 -5.358 4.483 -4.291 64 1HG2 ILE 8 HMG ILE 8 -7.159 5.824 -0.655 65 2HG2 ILE 8 HMG ILE 8 -5.697 4.803 -0.601 66 3HG2 ILE 8 HMG ILE 8 -5.578 6.505 -1.124 67 1HD1 ILE 8 HMD ILE 8 -3.853 5.674 -1.956 68 2HD1 ILE 8 HMD ILE 8 -3.050 4.743 -3.249 69 3HD1 ILE 8 HMD ILE 8 -3.927 6.245 -3.644 70 H GLY 9 HN GLY 9 -8.948 6.274 -3.242 71 1HA GLY 9 HAS GLY 9 -10.070 6.834 -0.789 72 2HA GLY 9 HAR GLY 9 -10.717 7.444 -2.336 73 H ARG 10 HN ARG 10 -11.177 4.583 -3.212 74 HA ARG 10 HA ARG 10 -13.809 4.256 -2.066 75 1HB ARG 10 HBS ARG 10 -12.871 3.772 -4.504 76 2HB ARG 10 HBR ARG 10 -12.575 2.155 -3.801 77 1HG ARG 10 HGS ARG 10 -14.691 2.044 -4.857 78 2HG ARG 10 HGR ARG 10 -15.016 2.151 -3.103 79 1HD ARG 10 HDS ARG 10 -16.103 4.062 -3.322 80 2HD ARG 10 HDR ARG 10 -14.828 4.760 -4.359 81 HE ARG 10 HE ARG 10 -15.995 4.036 -6.259 82 1HH1 ARG 10 HH1 ARG 10 -17.450 2.600 -3.387 83 2HH1 ARG 10 HH1 ARG 10 -18.951 2.261 -4.184 84 1HH2 ARG 10 HH2 ARG 10 -18.014 3.694 -7.230 85 2HH2 ARG 10 HH2 ARG 10 -19.270 2.878 -6.359 86 H ILE 11 HN ILE 11 -10.676 2.661 -1.773 87 HA ILE 11 HA ILE 11 -11.466 0.477 -0.116 88 HB ILE 11 HB ILE 11 -8.864 2.074 -0.272 89 1HG1 ILE 11 HG1 ILE 11 -9.462 -0.673 -1.416 90 2HG1 ILE 11 HG1 ILE 11 -9.779 0.838 -2.316 91 1HG2 ILE 11 HMG ILE 11 -9.640 0.167 1.685 92 2HG2 ILE 11 HMG ILE 11 -8.420 -0.592 0.627 93 3HG2 ILE 11 HMG ILE 11 -8.054 0.948 1.447 94 1HD1 ILE 11 HMD ILE 11 -7.073 0.740 -1.222 95 2HD1 ILE 11 HMD ILE 11 -7.423 -0.627 -2.314 96 3HD1 ILE 11 HMD ILE 11 -7.632 1.050 -2.888 97 H ILE 12 HN ILE 12 -10.345 3.789 0.659 98 HA ILE 12 HA ILE 12 -10.416 3.494 3.446 99 HB ILE 12 HB ILE 12 -10.932 6.109 1.959 100 1HG1 ILE 12 HG1 ILE 12 -9.147 5.129 0.756 101 2HG1 ILE 12 HG1 ILE 12 -8.414 6.322 1.864 102 1HG2 ILE 12 HMG ILE 12 -10.565 5.519 4.679 103 2HG2 ILE 12 HMG ILE 12 -9.044 6.269 4.123 104 3HG2 ILE 12 HMG ILE 12 -10.594 7.120 3.892 105 1HD1 ILE 12 HMD ILE 12 -8.562 3.372 2.515 106 2HD1 ILE 12 HMD ILE 12 -7.209 4.099 1.608 107 3HD1 ILE 12 HMD ILE 12 -7.555 4.632 3.276 108 H LYS 13 HN LYS 13 -12.926 4.614 1.187 109 HA LYS 13 HA LYS 13 -14.978 5.030 3.106 110 1HB LYS 13 HBS LYS 13 -15.004 5.688 0.657 111 2HB LYS 13 HBR LYS 13 -15.384 3.981 0.294 112 1HG LYS 13 HGR LYS 13 -17.208 4.778 2.305 113 2HG LYS 13 HGS LYS 13 -17.145 6.123 1.130 114 1HD LYS 13 HDS LYS 13 -18.661 4.976 0.004 115 2HD LYS 13 HDR LYS 13 -17.279 4.082 -0.570 116 1HE LYS 13 HES LYS 13 -17.719 2.624 1.593 117 2HE LYS 13 HER LYS 13 -19.365 3.281 1.371 118 1HZ LYS 13 HZC LYS 13 -19.304 2.445 -0.877 119 2HZ LYS 13 HZA LYS 13 -17.811 1.823 -0.654 120 3HZ LYS 13 HZB LYS 13 -19.076 1.230 0.190 121 H ASP 14 HN ASP 14 -13.964 2.147 1.265 122 HA ASP 14 HA ASP 14 -15.844 0.409 2.147 123 1HB ASP 14 HBS ASP 14 -14.096 0.016 0.415 124 2HB ASP 14 HBR ASP 14 -12.965 -0.373 1.743 125 H ALA 15 HN ALA 15 -12.884 1.335 3.835 126 HA ALA 15 HA ALA 15 -13.195 -0.121 6.202 127 1HB ALA 15 HMB ALA 15 -11.758 2.206 5.288 128 2HB ALA 15 HMB ALA 15 -12.375 2.463 6.940 129 3HB ALA 15 HMB ALA 15 -11.353 1.048 6.581 130 H GLY 16 HN GLY 16 -14.673 2.976 5.236 131 1HA GLY 16 HAR GLY 16 -16.990 3.253 6.120 132 2HA GLY 16 HAS GLY 16 -16.312 2.943 7.741 133 H ALA 17 HN ALA 17 -14.251 4.684 5.611 134 HA ALA 17 HA ALA 17 -14.364 7.198 6.903 135 1HB ALA 17 HMB ALA 17 -12.923 6.009 4.827 136 2HB ALA 17 HMB ALA 17 -13.749 7.400 4.079 137 3HB ALA 17 HMB ALA 17 -12.706 7.644 5.505 138 H GLU 18 HN GLU 18 -15.417 9.084 6.452 139 HA GLU 18 HA GLU 18 -17.887 8.814 4.831 140 1HB GLU 18 HBR GLU 18 -16.967 10.315 7.241 141 2HB GLU 18 HBS GLU 18 -18.059 11.087 6.229 142 1HG GLU 18 HGS GLU 18 -19.112 9.808 8.125 143 2HG GLU 18 HGR GLU 18 -19.844 9.530 6.521 144 H ARG 19 HN ARG 19 -15.328 11.214 5.589 145 HA ARG 19 HA ARG 19 -15.202 11.865 2.727 146 1HB ARG 19 HBR ARG 19 -16.652 13.578 4.212 147 2HB ARG 19 HBS ARG 19 -15.016 14.225 4.529 148 1HG ARG 19 HGS ARG 19 -15.055 15.296 2.584 149 2HG ARG 19 HGR ARG 19 -15.258 13.745 1.722 150 1HD ARG 19 HDS ARG 19 -17.096 14.950 1.049 151 2HD ARG 19 HDR ARG 19 -17.736 13.969 2.397 152 HE ARG 19 HE ARG 19 -17.031 16.251 3.662 153 1HH1 ARG 19 HH1 ARG 19 -18.639 15.887 0.545 154 2HH1 ARG 19 HH1 ARG 19 -19.683 17.244 0.803 155 1HH2 ARG 19 HH2 ARG 19 -18.500 17.941 4.017 156 2HH2 ARG 19 HH2 ARG 19 -19.603 18.408 2.766 157 H VAL 20 HN VAL 20 -13.179 12.197 2.056 158 HA VAL 20 HA VAL 20 -11.057 12.415 4.104 159 HB VAL 20 HB VAL 20 -10.960 10.497 1.766 160 1HG1 VAL 20 HMG VAL 20 -8.912 11.531 3.592 161 2HG1 VAL 20 HMG VAL 20 -8.968 9.755 3.502 162 3HG1 VAL 20 HMG VAL 20 -8.752 10.714 2.019 163 1HG2 VAL 20 HMG VAL 20 -12.412 10.059 3.989 164 2HG2 VAL 20 HMG VAL 20 -11.579 8.776 3.077 165 3HG2 VAL 20 HMG VAL 20 -10.826 9.463 4.536 166 H SER 21 HN SER 21 -9.678 13.961 3.704 167 HA SER 21 HA SER 21 -10.200 15.760 1.494 168 1HB SER 21 HBS SER 21 -9.600 16.769 3.537 169 2HB SER 21 HBR SER 21 -8.145 15.746 3.715 170 HG SER 21 HG SER 21 -8.335 18.176 2.774 171 H ASP 22 HN ASP 22 -8.752 16.374 -0.125 172 HA ASP 22 HA ASP 22 -7.478 14.299 -1.451 173 1HB ASP 22 HBS ASP 22 -8.327 16.396 -2.459 174 2HB ASP 22 HBR ASP 22 -6.863 17.224 -1.851 175 H ASP 23 HN ASP 23 -6.267 16.364 1.053 176 HA ASP 23 HA ASP 23 -3.508 15.786 0.798 177 1HB ASP 23 HBS ASP 23 -5.057 17.284 2.503 178 2HB ASP 23 HBR ASP 23 -4.408 15.992 3.554 179 H ALA 24 HN ALA 24 -5.984 14.174 2.820 180 HA ALA 24 HA ALA 24 -4.333 12.202 3.812 181 1HB ALA 24 HMB ALA 24 -7.254 12.559 3.486 182 2HB ALA 24 HMB ALA 24 -6.693 10.893 3.774 183 3HB ALA 24 HMB ALA 24 -6.283 12.184 4.932 184 H ARG 25 HN ARG 25 -6.387 12.045 0.893 185 HA ARG 25 HA ARG 25 -5.923 9.284 0.441 186 1HB ARG 25 HBS ARG 25 -6.749 9.947 -1.950 187 2HB ARG 25 HBR ARG 25 -7.858 9.997 -0.549 188 1HG ARG 25 HGS ARG 25 -7.693 12.387 -0.415 189 2HG ARG 25 HGR ARG 25 -6.392 12.420 -1.639 190 1HD ARG 25 HDS ARG 25 -8.180 12.972 -2.925 191 2HD ARG 25 HDR ARG 25 -8.190 11.195 -3.102 192 HE ARG 25 HE ARG 25 -10.038 11.104 -1.548 193 1HH1 ARG 25 HH1 ARG 25 -9.063 14.408 -2.296 194 2HH1 ARG 25 HH1 ARG 25 -10.642 15.056 -2.001 195 1HH2 ARG 25 HH2 ARG 25 -12.115 11.970 -1.279 196 2HH2 ARG 25 HH2 ARG 25 -12.368 13.678 -1.417 197 H ILE 26 HN ILE 26 -4.288 12.201 -0.661 198 HA ILE 26 HA ILE 26 -2.467 10.723 -2.387 199 HB ILE 26 HB ILE 26 -2.469 13.618 -1.402 200 1HG1 ILE 26 HG1 ILE 26 -3.319 12.416 -4.067 201 2HG1 ILE 26 HG1 ILE 26 -4.419 12.947 -2.763 202 1HG2 ILE 26 HMG ILE 26 -0.212 12.689 -2.097 203 2HG2 ILE 26 HMG ILE 26 -0.890 12.557 -3.742 204 3HG2 ILE 26 HMG ILE 26 -0.781 14.150 -2.948 205 1HD1 ILE 26 HMD ILE 26 -2.451 14.910 -3.879 206 2HD1 ILE 26 HMD ILE 26 -3.896 14.494 -4.836 207 3HD1 ILE 26 HMD ILE 26 -4.079 15.176 -3.198 208 H THR 27 HN THR 27 -2.607 11.799 0.936 209 HA THR 27 HA THR 27 0.131 11.357 1.657 210 HB THR 27 HB THR 27 -2.462 11.155 3.288 211 HG1 THR 27 HG1 THR 27 -0.386 12.898 3.097 212 1HG2 THR 27 HMG THR 27 0.394 11.167 4.301 213 2HG2 THR 27 HMG THR 27 -1.067 11.358 5.303 214 3HG2 THR 27 HMG THR 27 -0.784 9.835 4.421 215 H LEU 28 HN LEU 28 -2.762 9.276 2.068 216 HA LEU 28 HA LEU 28 -1.436 6.868 2.526 217 1HB LEU 28 HBR LEU 28 -4.002 7.793 2.331 218 2HB LEU 28 HBS LEU 28 -3.892 6.752 0.887 219 HG LEU 28 HG LEU 28 -3.605 4.809 2.145 220 1HD1 LEU 28 HMD LEU 28 -2.334 6.536 4.049 221 2HD1 LEU 28 HMD LEU 28 -3.644 5.642 4.861 222 3HD1 LEU 28 HMD LEU 28 -2.369 4.756 3.988 223 1HD2 LEU 28 HMD LEU 28 -5.822 6.265 2.307 224 2HD2 LEU 28 HMD LEU 28 -5.640 4.719 3.175 225 3HD2 LEU 28 HMD LEU 28 -5.403 6.260 4.040 226 H ALA 29 HN ALA 29 -2.514 8.258 -0.584 227 HA ALA 29 HA ALA 29 -1.762 6.203 -2.224 228 1HB ALA 29 HMB ALA 29 -3.052 8.163 -2.921 229 2HB ALA 29 HMB ALA 29 -1.577 9.161 -2.865 230 3HB ALA 29 HMB ALA 29 -1.704 7.824 -4.036 231 H LYS 30 HN LYS 30 0.304 8.789 -0.958 232 HA LYS 30 HA LYS 30 2.607 7.767 -2.431 233 1HB LYS 30 HBR LYS 30 1.930 10.189 -0.852 234 2HB LYS 30 HBS LYS 30 3.636 9.661 -0.796 235 1HG LYS 30 HGR LYS 30 3.815 9.805 -3.210 236 2HG LYS 30 HGS LYS 30 2.071 10.165 -3.356 237 1HD LYS 30 HDS LYS 30 2.522 12.304 -3.263 238 2HD LYS 30 HDR LYS 30 2.992 12.076 -1.601 239 1HE LYS 30 HES LYS 30 4.750 13.236 -2.715 240 2HE LYS 30 HER LYS 30 5.296 11.583 -2.315 241 1HZ LYS 30 HZC LYS 30 4.096 11.935 -4.905 242 2HZ LYS 30 HZA LYS 30 5.547 12.656 -4.700 243 3HZ LYS 30 HZB LYS 30 5.394 11.047 -4.464 244 H ILE 31 HN ILE 31 1.245 7.551 0.764 245 HA ILE 31 HA ILE 31 3.501 6.377 2.122 246 HB ILE 31 HB ILE 31 0.479 6.346 2.482 247 1HG1 ILE 31 HG1 ILE 31 2.710 7.471 4.214 248 2HG1 ILE 31 HG1 ILE 31 1.826 8.386 2.958 249 1HG2 ILE 31 HMG ILE 31 1.674 4.157 3.268 250 2HG2 ILE 31 HMG ILE 31 2.237 5.187 4.610 251 3HG2 ILE 31 HMG ILE 31 0.490 4.980 4.318 252 1HD1 ILE 31 HMD ILE 31 -0.292 7.686 4.301 253 2HD1 ILE 31 HMD ILE 31 0.864 7.379 5.625 254 3HD1 ILE 31 HMD ILE 31 0.737 9.008 4.913 255 H LEU 32 HN LEU 32 0.521 4.753 1.007 256 HA LEU 32 HA LEU 32 1.511 2.227 1.027 257 1HB LEU 32 HBS LEU 32 -0.778 3.660 -0.020 258 2HB LEU 32 HBR LEU 32 -0.369 2.261 -1.053 259 HG LEU 32 HG LEU 32 -2.099 1.786 0.657 260 1HD1 LEU 32 HMD LEU 32 0.515 0.398 0.351 261 2HD1 LEU 32 HMD LEU 32 -0.550 -0.173 1.660 262 3HD1 LEU 32 HMD LEU 32 -1.138 -0.158 -0.022 263 1HD2 LEU 32 HMD LEU 32 -0.127 3.015 2.374 264 2HD2 LEU 32 HMD LEU 32 -1.801 2.527 2.738 265 3HD2 LEU 32 HMD LEU 32 -0.473 1.354 2.920 266 H GLU 33 HN GLU 33 1.775 4.561 -1.605 267 HA GLU 33 HA GLU 33 2.766 2.821 -3.629 268 1HB GLU 33 HBS GLU 33 1.948 4.987 -4.015 269 2HB GLU 33 HBR GLU 33 3.029 5.751 -2.984 270 1HG GLU 33 HGS GLU 33 3.882 4.150 -5.415 271 2HG GLU 33 HGR GLU 33 3.482 5.879 -5.599 272 H GLU 34 HN GLU 34 4.552 5.045 -1.442 273 HA GLU 34 HA GLU 34 7.111 4.238 -2.319 274 1HB GLU 34 HBS GLU 34 6.600 6.289 -1.274 275 2HB GLU 34 HBR GLU 34 6.025 5.599 0.143 276 1HG GLU 34 HGS GLU 34 8.114 6.006 0.957 277 2HG GLU 34 HGR GLU 34 8.679 4.600 0.017 278 H MET 35 HN MET 35 4.998 3.045 0.251 279 HA MET 35 HA MET 35 6.722 1.010 1.290 280 1HB MET 35 HBS MET 35 4.606 1.688 2.356 281 2HB MET 35 HBR MET 35 3.703 0.989 0.982 282 1HG MET 35 HGS MET 35 4.886 -1.222 1.496 283 2HG MET 35 HGR MET 35 5.461 -0.455 2.996 284 1HE MET 35 HME MET 35 3.724 -3.036 2.922 285 2HE MET 35 HME MET 35 4.077 -2.292 4.503 286 3HE MET 35 HME MET 35 2.409 -2.771 4.096 287 H GLY 36 HN GLY 36 4.465 1.167 -1.461 288 1HA GLY 36 HAR GLY 36 4.657 -1.473 -2.329 289 2HA GLY 36 HAS GLY 36 4.320 -0.081 -3.395 290 H ARG 37 HN ARG 37 6.579 1.348 -3.438 291 HA ARG 37 HA ARG 37 8.270 -0.043 -5.136 292 1HB ARG 37 HBS ARG 37 9.719 1.818 -5.137 293 2HB ARG 37 HBR ARG 37 8.062 2.450 -4.926 294 1HG ARG 37 HGS ARG 37 8.575 3.450 -3.002 295 2HG ARG 37 HGR ARG 37 9.429 2.010 -2.375 296 1HD ARG 37 HDS ARG 37 11.128 2.876 -4.317 297 2HD ARG 37 HDR ARG 37 10.454 4.412 -3.703 298 HE ARG 37 HE ARG 37 11.218 2.729 -1.527 299 1HH1 ARG 37 HH1 ARG 37 12.441 5.028 -3.904 300 2HH1 ARG 37 HH1 ARG 37 13.920 5.296 -3.044 301 1HH2 ARG 37 HH2 ARG 37 13.219 3.008 -0.498 302 2HH2 ARG 37 HH2 ARG 37 14.360 4.155 -1.116 303 H ASP 38 HN ASP 38 8.411 0.291 -1.643 304 HA ASP 38 HA ASP 38 11.018 -0.739 -1.412 305 1HB ASP 38 HBS ASP 38 9.565 0.694 0.197 306 2HB ASP 38 HBR ASP 38 9.099 -0.895 0.870 307 H ILE 39 HN ILE 39 7.856 -2.315 -1.177 308 HA ILE 39 HA ILE 39 8.869 -4.926 -0.433 309 HB ILE 39 HB ILE 39 6.289 -4.316 -1.943 310 1HG1 ILE 39 HG1 ILE 39 6.633 -4.252 1.077 311 2HG1 ILE 39 HG1 ILE 39 6.624 -2.796 0.042 312 1HG2 ILE 39 HMG ILE 39 6.881 -6.679 -1.725 313 2HG2 ILE 39 HMG ILE 39 6.969 -6.492 0.047 314 3HG2 ILE 39 HMG ILE 39 5.413 -6.269 -0.798 315 1HD1 ILE 39 HMD ILE 39 4.335 -4.723 -0.127 316 2HD1 ILE 39 HMD ILE 39 4.440 -3.610 1.263 317 3HD1 ILE 39 HMD ILE 39 4.371 -2.960 -0.397 318 H ALA 40 HN ALA 40 8.755 -3.009 -3.307 319 HA ALA 40 HA ALA 40 8.706 -5.169 -5.260 320 1HB ALA 40 HMB ALA 40 8.886 -2.240 -5.239 321 2HB ALA 40 HMB ALA 40 9.907 -3.020 -6.473 322 3HB ALA 40 HMB ALA 40 8.157 -3.351 -6.427 323 H SER 41 HN SER 41 11.270 -2.744 -4.729 324 HA SER 41 HA SER 41 13.248 -4.371 -5.868 325 1HB SER 41 HBS SER 41 13.192 -1.809 -4.398 326 2HB SER 41 HBR SER 41 14.748 -2.687 -4.368 327 HG SER 41 HG SER 41 14.990 -2.639 -6.484 328 H GLU 42 HN GLU 42 11.885 -4.460 -2.730 329 HA GLU 42 HA GLU 42 13.989 -6.047 -1.521 330 1HB GLU 42 HBR GLU 42 11.106 -5.404 -0.948 331 2HB GLU 42 HBS GLU 42 11.872 -6.660 -0.140 332 1HG GLU 42 HGS GLU 42 11.894 -4.324 0.965 333 2HG GLU 42 HGR GLU 42 13.354 -5.339 1.105 334 H ALA 43 HN ALA 43 10.654 -6.871 -2.576 335 HA ALA 43 HA ALA 43 10.967 -9.631 -2.668 336 1HB ALA 43 HMB ALA 43 8.850 -8.297 -2.868 337 2HB ALA 43 HMB ALA 43 9.265 -8.020 -4.578 338 3HB ALA 43 HMB ALA 43 8.994 -9.678 -3.984 339 H ILE 44 HN ILE 44 12.335 -7.248 -4.721 340 HA ILE 44 HA ILE 44 12.533 -8.961 -7.057 341 HB ILE 44 HB ILE 44 13.484 -6.145 -6.377 342 1HG1 ILE 44 HG1 ILE 44 11.485 -7.080 -8.458 343 2HG1 ILE 44 HG1 ILE 44 11.042 -6.729 -6.763 344 1HG2 ILE 44 HMG ILE 44 14.442 -7.842 -8.542 345 2HG2 ILE 44 HMG ILE 44 13.666 -6.347 -9.128 346 3HG2 ILE 44 HMG ILE 44 15.021 -6.253 -7.973 347 1HD1 ILE 44 HMD ILE 44 11.862 -4.411 -7.063 348 2HD1 ILE 44 HMD ILE 44 12.214 -4.781 -8.773 349 3HD1 ILE 44 HMD ILE 44 10.532 -4.822 -8.180 350 H LYS 45 HN LYS 45 14.904 -7.431 -4.839 351 HA LYS 45 HA LYS 45 17.131 -9.066 -5.516 352 1HB LYS 45 HBS LYS 45 16.765 -6.975 -3.833 353 2HB LYS 45 HBR LYS 45 16.783 -8.327 -2.665 354 1HG LYS 45 HGR LYS 45 18.970 -9.049 -3.510 355 2HG LYS 45 HGS LYS 45 18.950 -7.734 -4.720 356 1HD LYS 45 HDS LYS 45 19.674 -6.228 -3.286 357 2HD LYS 45 HDR LYS 45 18.481 -6.679 -2.100 358 1HE LYS 45 HES LYS 45 19.897 -8.551 -1.356 359 2HE LYS 45 HER LYS 45 21.137 -8.021 -2.529 360 1HZ LYS 45 HZC LYS 45 20.529 -5.799 -1.122 361 2HZ LYS 45 HZA LYS 45 20.518 -6.965 0.022 362 3HZ LYS 45 HZB LYS 45 21.845 -6.740 -0.903 363 H LEU 46 HN LEU 46 14.441 -9.467 -3.221 364 HA LEU 46 HA LEU 46 15.187 -12.031 -2.201 365 1HB LEU 46 HBS LEU 46 12.493 -10.697 -2.604 366 2HB LEU 46 HBR LEU 46 12.794 -12.161 -1.623 367 HG LEU 46 HG LEU 46 14.099 -9.502 -1.034 368 1HD1 LEU 46 HMD LEU 46 11.331 -10.274 -0.717 369 2HD1 LEU 46 HMD LEU 46 12.106 -10.065 0.875 370 3HD1 LEU 46 HMD LEU 46 12.134 -8.736 -0.310 371 1HD2 LEU 46 HMD LEU 46 13.682 -12.134 0.399 372 2HD2 LEU 46 HMD LEU 46 15.215 -11.327 -0.021 373 3HD2 LEU 46 HMD LEU 46 14.165 -10.642 1.246 374 H ALA 47 HN ALA 47 13.273 -10.974 -5.016 375 HA ALA 47 HA ALA 47 12.571 -13.483 -6.005 376 1HB ALA 47 HMB ALA 47 12.745 -10.747 -7.013 377 2HB ALA 47 HMB ALA 47 13.023 -11.977 -8.272 378 3HB ALA 47 HMB ALA 47 11.526 -12.014 -7.305 379 H ARG 48 HN ARG 48 15.653 -11.873 -5.983 380 HA ARG 48 HA ARG 48 16.757 -13.341 -8.213 381 1HB ARG 48 HBR ARG 48 17.647 -11.223 -6.346 382 2HB ARG 48 HBS ARG 48 18.928 -12.321 -6.936 383 1HG ARG 48 HGS ARG 48 18.029 -11.819 -9.286 384 2HG ARG 48 HGR ARG 48 17.135 -10.474 -8.524 385 1HD ARG 48 HDS ARG 48 19.059 -9.352 -7.940 386 2HD ARG 48 HDR ARG 48 20.070 -10.819 -8.046 387 HE ARG 48 HE ARG 48 19.120 -9.167 -10.312 388 1HH1 ARG 48 HH1 ARG 48 20.799 -12.076 -9.239 389 2HH1 ARG 48 HH1 ARG 48 21.776 -12.171 -10.666 390 1HH2 ARG 48 HH2 ARG 48 20.504 -9.251 -12.106 391 2HH2 ARG 48 HH2 ARG 48 21.608 -10.573 -12.290 392 H HIS 49 HN HIS 49 17.269 -13.365 -4.671 393 HA HIS 49 HA HIS 49 18.788 -15.839 -4.671 394 1HB HIS 49 HBS HIS 49 18.217 -13.922 -2.713 395 2HB HIS 49 HBR HIS 49 17.250 -15.343 -2.224 396 HD1 HIS 49 HD1 HIS 49 20.897 -14.644 -3.302 397 HD2 HIS 49 HD2 HIS 49 18.661 -17.183 -0.872 398 HE1 HIS 49 HE1 HIS 49 22.533 -16.187 -2.198 399 HE2 HIS 49 HE2 HIS 49 21.184 -17.742 -0.744 400 H ALA 50 HN ALA 50 15.499 -14.922 -5.048 401 HA ALA 50 HA ALA 50 14.178 -17.374 -4.443 402 1HB ALA 50 HMB ALA 50 13.422 -14.942 -5.386 403 2HB ALA 50 HMB ALA 50 13.362 -15.916 -6.878 404 3HB ALA 50 HMB ALA 50 12.413 -16.409 -5.452 405 H GLY 51 HN GLY 51 15.905 -16.209 -7.335 406 1HA GLY 51 HAR GLY 51 16.900 -18.047 -8.713 407 2HA GLY 51 HAS GLY 51 15.278 -18.791 -8.718 408 H ARG 52 HN ARG 52 15.458 -15.325 -8.833 409 HA ARG 52 HA ARG 52 15.779 -13.751 -10.471 410 1HB ARG 52 HBR ARG 52 16.327 -15.829 -12.568 411 2HB ARG 52 HBS ARG 52 16.987 -14.179 -12.371 412 1HG ARG 52 HGS ARG 52 18.776 -14.959 -11.302 413 2HG ARG 52 HGR ARG 52 17.757 -15.847 -10.136 414 1HD ARG 52 HDS ARG 52 17.479 -17.607 -11.914 415 2HD ARG 52 HDR ARG 52 18.761 -16.761 -12.824 416 HE ARG 52 HE ARG 52 20.152 -17.137 -10.703 417 1HH1 ARG 52 HH1 ARG 52 17.762 -19.382 -11.997 418 2HH1 ARG 52 HH1 ARG 52 18.416 -20.740 -11.145 419 1HH2 ARG 52 HH2 ARG 52 20.891 -18.907 -9.494 420 2HH2 ARG 52 HH2 ARG 52 20.185 -20.472 -9.726 421 H LYS 53 HN LYS 53 14.409 -16.669 -12.061 422 HA LYS 53 HA LYS 53 13.181 -15.289 -14.072 423 1HB LYS 53 HBR LYS 53 12.404 -17.943 -12.830 424 2HB LYS 53 HBS LYS 53 11.667 -17.297 -14.324 425 1HG LYS 53 HGR LYS 53 14.652 -17.435 -14.213 426 2HG LYS 53 HGS LYS 53 13.760 -18.977 -14.349 427 1HD LYS 53 HDS LYS 53 12.788 -16.913 -16.174 428 2HD LYS 53 HDR LYS 53 14.480 -17.271 -16.394 429 1HE LYS 53 HES LYS 53 12.129 -19.086 -16.718 430 2HE LYS 53 HER LYS 53 13.490 -18.749 -17.824 431 1HZ LYS 53 HZC LYS 53 14.876 -19.842 -16.047 432 2HZ LYS 53 HZA LYS 53 13.480 -20.414 -15.419 433 3HZ LYS 53 HZB LYS 53 13.919 -20.821 -16.939 434 H THR 54 HN THR 54 12.065 -13.481 -13.456 435 HA THR 54 HA THR 54 10.159 -12.281 -13.111 436 HB THR 54 HB THR 54 8.767 -15.012 -12.902 437 HG1 THR 54 HG1 THR 54 8.845 -15.132 -14.719 438 1HG2 THR 54 HMG THR 54 7.766 -12.222 -13.084 439 2HG2 THR 54 HMG THR 54 6.959 -13.438 -14.107 440 3HG2 THR 54 HMG THR 54 7.033 -13.667 -12.341 441 H ILE 55 HN ILE 55 9.018 -11.362 -11.468 442 HA ILE 55 HA ILE 55 9.608 -12.210 -8.728 443 HB ILE 55 HB ILE 55 7.685 -10.032 -9.662 444 1HG1 ILE 55 HG1 ILE 55 9.771 -9.631 -10.786 445 2HG1 ILE 55 HG1 ILE 55 9.591 -8.448 -9.460 446 1HG2 ILE 55 HMG ILE 55 7.742 -10.840 -7.229 447 2HG2 ILE 55 HMG ILE 55 9.325 -10.024 -7.139 448 3HG2 ILE 55 HMG ILE 55 7.860 -9.088 -7.542 449 1HD1 ILE 55 HMD ILE 55 11.080 -9.959 -8.075 450 2HD1 ILE 55 HMD ILE 55 11.410 -10.861 -9.578 451 3HD1 ILE 55 HMD ILE 55 11.858 -9.138 -9.455 452 H LYS 56 HN LYS 56 8.250 -13.182 -7.343 453 HA LYS 56 HA LYS 56 5.669 -14.195 -8.438 454 1HB LYS 56 HBS LYS 56 8.119 -15.673 -7.868 455 2HB LYS 56 HBR LYS 56 6.733 -16.265 -6.909 456 1HG LYS 56 HGR LYS 56 5.462 -16.742 -8.877 457 2HG LYS 56 HGS LYS 56 6.622 -15.869 -9.918 458 1HD LYS 56 HDS LYS 56 7.070 -18.108 -10.308 459 2HD LYS 56 HDR LYS 56 8.349 -17.522 -9.279 460 1HE LYS 56 HES LYS 56 7.859 -18.907 -7.606 461 2HE LYS 56 HER LYS 56 6.103 -18.631 -7.787 462 1HZ LYS 56 HZB LYS 56 6.846 -20.036 -9.985 463 2HZ LYS 56 HZC LYS 56 7.683 -20.746 -8.777 464 3HZ LYS 56 HZA LYS 56 6.057 -20.625 -8.682 465 H ALA 57 HN ALA 57 4.430 -15.373 -6.706 466 HA ALA 57 HA ALA 57 3.684 -13.420 -4.936 467 1HB ALA 57 HMB ALA 57 2.798 -15.992 -5.678 468 2HB ALA 57 HMB ALA 57 2.843 -15.965 -3.896 469 3HB ALA 57 HMB ALA 57 1.911 -14.731 -4.782 470 H GLU 58 HN GLU 58 5.266 -16.508 -4.013 471 HA GLU 58 HA GLU 58 5.489 -15.968 -1.300 472 1HB GLU 58 HBS GLU 58 7.432 -17.551 -1.486 473 2HB GLU 58 HBR GLU 58 5.899 -18.132 -1.838 474 1HG GLU 58 HGS GLU 58 7.143 -17.031 -4.224 475 2HG GLU 58 HGR GLU 58 8.280 -18.196 -3.492 476 H ASP 59 HN ASP 59 7.590 -14.997 -3.966 477 HA ASP 59 HA ASP 59 9.644 -13.849 -2.432 478 1HB ASP 59 HBS ASP 59 8.686 -13.552 -5.225 479 2HB ASP 59 HBR ASP 59 9.768 -12.290 -4.566 480 H ILE 60 HN ILE 60 6.523 -12.539 -3.463 481 HA ILE 60 HA ILE 60 6.924 -9.883 -2.594 482 HB ILE 60 HB ILE 60 4.348 -11.522 -2.764 483 1HG1 ILE 60 HG1 ILE 60 5.416 -11.562 -4.877 484 2HG1 ILE 60 HG1 ILE 60 4.117 -10.342 -4.987 485 1HG2 ILE 60 HMG ILE 60 4.754 -8.534 -2.568 486 2HG2 ILE 60 HMG ILE 60 3.225 -9.316 -3.053 487 3HG2 ILE 60 HMG ILE 60 3.898 -9.602 -1.426 488 1HD1 ILE 60 HMD ILE 60 6.195 -8.759 -4.285 489 2HD1 ILE 60 HMD ILE 60 7.056 -10.035 -5.187 490 3HD1 ILE 60 HMD ILE 60 5.739 -9.122 -5.971 491 H GLU 61 HN GLU 61 5.117 -12.496 -0.927 492 HA GLU 61 HA GLU 61 4.643 -10.929 1.446 493 1HB GLU 61 HBR GLU 61 4.677 -13.917 1.375 494 2HB GLU 61 HBS GLU 61 3.735 -12.857 2.272 495 1HG GLU 61 HGS GLU 61 2.279 -12.266 0.602 496 2HG GLU 61 HGR GLU 61 3.342 -12.799 -0.729 497 H LEU 62 HN LEU 62 7.346 -12.667 0.213 498 HA LEU 62 HA LEU 62 8.782 -12.901 2.707 499 1HB LEU 62 HBR LEU 62 9.209 -13.274 -0.169 500 2HB LEU 62 HBS LEU 62 10.643 -12.633 0.683 501 HG LEU 62 HG LEU 62 9.329 -14.958 1.953 502 1HD1 LEU 62 HMD LEU 62 10.090 -14.899 -0.876 503 2HD1 LEU 62 HMD LEU 62 10.948 -16.154 0.054 504 3HD1 LEU 62 HMD LEU 62 9.166 -16.116 0.040 505 1HD2 LEU 62 HMD LEU 62 12.157 -14.115 1.261 506 2HD2 LEU 62 HMD LEU 62 11.378 -14.131 2.864 507 3HD2 LEU 62 HMD LEU 62 11.748 -15.667 2.038 508 H ALA 63 HN ALA 63 8.932 -10.540 0.011 509 HA ALA 63 HA ALA 63 10.504 -8.618 1.291 510 1HB ALA 63 HMB ALA 63 9.935 -8.617 -1.097 511 2HB ALA 63 HMB ALA 63 8.260 -8.163 -0.694 512 3HB ALA 63 HMB ALA 63 9.598 -7.047 -0.323 513 H VAL 64 HN VAL 64 6.993 -9.146 1.391 514 HA VAL 64 HA VAL 64 6.392 -6.804 2.965 515 HB VAL 64 HB VAL 64 4.942 -9.315 2.184 516 1HG1 VAL 64 HMG VAL 64 3.845 -7.186 4.044 517 2HG1 VAL 64 HMG VAL 64 2.888 -8.453 3.241 518 3HG1 VAL 64 HMG VAL 64 4.135 -8.899 4.431 519 1HG2 VAL 64 HMG VAL 64 4.911 -6.442 1.410 520 2HG2 VAL 64 HMG VAL 64 4.825 -7.915 0.412 521 3HG2 VAL 64 HMG VAL 64 3.391 -7.364 1.314 522 H ARG 65 HN ARG 65 6.106 -10.239 3.929 523 HA ARG 65 HA ARG 65 6.147 -9.796 6.612 524 1HB ARG 65 HBS ARG 65 7.211 -12.217 5.124 525 2HB ARG 65 HBR ARG 65 6.930 -12.155 6.888 526 1HG ARG 65 HGS ARG 65 4.512 -11.311 5.882 527 2HG ARG 65 HGR ARG 65 5.029 -12.517 4.670 528 1HD ARG 65 HDS ARG 65 3.899 -13.806 6.188 529 2HD ARG 65 HDR ARG 65 5.591 -13.970 6.735 530 HE ARG 65 HE ARG 65 3.762 -11.992 7.993 531 1HH1 ARG 65 HH1 ARG 65 5.640 -14.965 8.233 532 2HH1 ARG 65 HH1 ARG 65 5.749 -14.886 9.961 533 1HH2 ARG 65 HH2 ARG 65 4.026 -11.858 10.239 534 2HH2 ARG 65 HH2 ARG 65 4.830 -13.131 11.097 535 H ARG 66 HN ARG 66 8.840 -9.532 4.506 536 HA ARG 66 HA ARG 66 10.874 -9.706 6.520 537 1HB ARG 66 HBS ARG 66 11.348 -9.957 4.120 538 2HB ARG 66 HBR ARG 66 10.916 -8.243 3.859 539 1HG ARG 66 HGS ARG 66 13.027 -8.833 5.881 540 2HG ARG 66 HGR ARG 66 13.441 -9.081 4.161 541 1HD ARG 66 HDS ARG 66 13.714 -6.917 3.898 542 2HD ARG 66 HDR ARG 66 12.025 -6.630 4.404 543 HE ARG 66 HE ARG 66 14.104 -6.955 6.485 544 1HH1 ARG 66 HH1 ARG 66 12.094 -4.753 4.601 545 2HH1 ARG 66 HH1 ARG 66 12.092 -3.531 5.829 546 1HH2 ARG 66 HH2 ARG 66 13.970 -5.389 8.117 547 2HH2 ARG 66 HH2 ARG 66 13.157 -3.889 7.818 548 H PHE 67 HN PHE 67 9.006 -7.017 5.121 549 HA PHE 67 HA PHE 67 9.913 -4.957 6.844 550 1HB PHE 67 HBR PHE 67 7.113 -5.422 5.727 551 2HB PHE 67 HBS PHE 67 7.636 -3.958 6.609 552 HD1 PHE 67 HD1 PHE 67 9.186 -2.446 5.699 553 HD2 PHE 67 HD2 PHE 67 7.765 -5.715 3.363 554 HE1 PHE 67 HE1 PHE 67 9.947 -1.300 3.667 555 HE2 PHE 67 HE2 PHE 67 8.539 -4.586 1.303 556 HZ PHE 67 HZ PHE 67 9.776 -2.444 1.487 557 H LYS 68 HN LYS 68 7.113 -7.164 7.230 558 HA LYS 68 HA LYS 68 6.324 -6.061 9.705 559 1HB LYS 68 HBR LYS 68 4.837 -7.355 8.222 560 2HB LYS 68 HBS LYS 68 5.746 -8.840 8.626 561 1HG LYS 68 HGR LYS 68 4.112 -9.105 10.173 562 2HG LYS 68 HGS LYS 68 5.107 -7.964 11.121 563 1HD LYS 68 HDS LYS 68 3.773 -6.099 10.383 564 2HD LYS 68 HDR LYS 68 2.866 -7.123 9.306 565 1HE LYS 68 HES LYS 68 1.824 -6.468 11.569 566 2HE LYS 68 HER LYS 68 1.682 -8.147 10.974 567 1HZ LYS 68 HZB LYS 68 3.991 -7.593 12.582 568 2HZ LYS 68 HZC LYS 68 2.567 -7.501 13.377 569 3HZ LYS 68 HZA LYS 68 2.984 -8.878 12.604 570 H LYS 69 HN LYS 69 6.636 -6.623 11.788 571 HA LYS 69 HA LYS 69 8.553 -8.773 12.474 572 1HB LYS 69 HBR LYS 69 9.802 -6.648 11.845 573 2HB LYS 69 HBS LYS 69 9.040 -5.894 13.276 574 1HG LYS 69 HGR LYS 69 10.333 -7.063 14.757 575 2HG LYS 69 HGS LYS 69 10.451 -8.496 13.695 576 1HD LYS 69 HDS LYS 69 12.533 -7.867 13.330 577 2HD LYS 69 HDR LYS 69 11.818 -6.722 12.228 578 1HE LYS 69 HES LYS 69 12.655 -6.185 15.072 579 2HE LYS 69 HER LYS 69 13.409 -5.584 13.568 580 1HZ LYS 69 HZB LYS 69 11.112 -4.603 13.163 581 2HZ LYS 69 HZC LYS 69 10.861 -4.815 14.763 582 3HZ LYS 69 HZA LYS 69 12.084 -3.864 14.248 583 1H MET 1 HNC MET 1 -12.929 -3.494 -4.437 584 2H MET 1 HN MET 1 -14.326 -3.366 -5.272 585 3H MET 1 HNB MET 1 -13.509 -4.780 -5.259 586 HA MET 1 HA MET 1 -12.673 -4.193 -7.164 587 1HB MET 1 HBS MET 1 -14.271 -1.942 -6.584 588 2HB MET 1 HBR MET 1 -12.671 -1.303 -7.041 589 1HG MET 1 HGS MET 1 -13.777 -1.496 -9.120 590 2HG MET 1 HGR MET 1 -12.783 -2.968 -9.025 591 1HE MET 1 HME MET 1 -15.091 -2.950 -11.025 592 2HE MET 1 HME MET 1 -14.180 -4.433 -10.645 593 3HE MET 1 HME MET 1 -15.961 -4.467 -10.691 594 H GLU 2 HN GLU 2 -10.816 -5.042 -6.055 595 HA GLU 2 HA GLU 2 -9.081 -3.430 -4.512 596 1HB GLU 2 HBR GLU 2 -7.699 -5.326 -4.518 597 2HB GLU 2 HBS GLU 2 -9.306 -5.810 -4.466 598 1HG GLU 2 HGS GLU 2 -8.592 -5.687 -7.219 599 2HG GLU 2 HGR GLU 2 -7.390 -6.720 -6.398 600 H LEU 3 HN LEU 3 -6.579 -3.605 -5.261 601 HA LEU 3 HA LEU 3 -6.426 -1.354 -7.038 602 1HB LEU 3 HBR LEU 3 -4.041 -2.952 -6.173 603 2HB LEU 3 HBS LEU 3 -4.253 -1.183 -6.304 604 HG LEU 3 HG LEU 3 -5.340 -2.977 -4.117 605 1HD1 LEU 3 HMD LEU 3 -3.056 -1.003 -4.296 606 2HD1 LEU 3 HMD LEU 3 -3.804 -1.462 -2.745 607 3HD1 LEU 3 HMD LEU 3 -3.022 -2.701 -3.759 608 1HD2 LEU 3 HMD LEU 3 -5.917 -0.228 -5.024 609 2HD2 LEU 3 HMD LEU 3 -6.882 -1.335 -4.013 610 3HD2 LEU 3 HMD LEU 3 -5.564 -0.381 -3.284 611 HA PRO 4 HA PRO 4 -5.579 -3.344 -10.898 612 1HB PRO 4 HBR PRO 4 -4.448 -1.155 -11.992 613 2HB PRO 4 HBS PRO 4 -6.024 -1.589 -12.146 614 1HG PRO 4 HGS PRO 4 -5.014 0.538 -10.759 615 2HG PRO 4 HGR PRO 4 -6.619 0.138 -10.973 616 1HD PRO 4 HDS PRO 4 -5.044 -0.243 -8.711 617 2HD PRO 4 HDR PRO 4 -6.680 -0.432 -8.858 618 H ILE 5 HN ILE 5 -3.994 -4.422 -11.885 619 HA ILE 5 HA ILE 5 -1.568 -4.520 -10.238 620 HB ILE 5 HB ILE 5 -1.086 -6.612 -11.392 621 1HG1 ILE 5 HG1 ILE 5 -2.028 -5.715 -13.613 622 2HG1 ILE 5 HG1 ILE 5 -2.167 -7.459 -13.261 623 1HG2 ILE 5 HMG ILE 5 -3.828 -6.246 -10.259 624 2HG2 ILE 5 HMG ILE 5 -3.359 -7.825 -10.943 625 3HG2 ILE 5 HMG ILE 5 -2.412 -7.115 -9.609 626 1HD1 ILE 5 HMD ILE 5 -4.539 -6.226 -12.301 627 2HD1 ILE 5 HMD ILE 5 -4.219 -5.576 -13.931 628 3HD1 ILE 5 HMD ILE 5 -4.339 -7.338 -13.682 629 H ALA 6 HN ALA 6 -2.613 -3.135 -13.181 630 HA ALA 6 HA ALA 6 -0.126 -3.033 -14.558 631 1HB ALA 6 HMB ALA 6 -2.737 -2.235 -15.043 632 2HB ALA 6 HMB ALA 6 -1.835 -0.701 -14.946 633 3HB ALA 6 HMB ALA 6 -1.328 -1.961 -16.099 634 HA PRO 7 HA PRO 7 0.350 1.320 -12.497 635 1HB PRO 7 HBR PRO 7 -1.201 1.667 -10.318 636 2HB PRO 7 HBS PRO 7 -1.413 2.412 -11.766 637 1HG PRO 7 HGS PRO 7 -2.886 0.316 -10.666 638 2HG PRO 7 HGR PRO 7 -3.327 1.368 -11.884 639 1HD PRO 7 HDS PRO 7 -2.625 -1.186 -12.257 640 2HD PRO 7 HDR PRO 7 -2.668 -0.034 -13.443 641 H ILE 8 HN ILE 8 -0.545 -1.136 -10.217 642 HA ILE 8 HA ILE 8 1.617 -0.793 -8.437 643 HB ILE 8 HB ILE 8 0.065 -3.307 -9.229 644 1HG1 ILE 8 HG1 ILE 8 -0.283 -1.293 -6.975 645 2HG1 ILE 8 HG1 ILE 8 -1.351 -1.531 -8.387 646 1HG2 ILE 8 HMG ILE 8 2.392 -3.506 -7.993 647 2HG2 ILE 8 HMG ILE 8 1.403 -3.071 -6.574 648 3HG2 ILE 8 HMG ILE 8 0.993 -4.515 -7.539 649 1HD1 ILE 8 HMD ILE 8 -1.066 -4.021 -6.982 650 2HD1 ILE 8 HMD ILE 8 -1.523 -2.736 -5.833 651 3HD1 ILE 8 HMD ILE 8 -2.531 -3.044 -7.271 652 H GLY 9 HN GLY 9 1.320 -2.745 -11.407 653 1HA GLY 9 HAR GLY 9 3.759 -4.011 -11.363 654 2HA GLY 9 HAS GLY 9 2.913 -3.558 -12.865 655 H ARG 10 HN ARG 10 3.040 -0.683 -12.294 656 HA ARG 10 HA ARG 10 5.689 -0.257 -13.418 657 1HB ARG 10 HBR ARG 10 3.150 1.291 -13.190 658 2HB ARG 10 HBS ARG 10 4.672 2.219 -13.321 659 1HG ARG 10 HGS ARG 10 4.682 1.915 -15.521 660 2HG ARG 10 HGR ARG 10 4.708 0.143 -15.291 661 1HD ARG 10 HDS ARG 10 2.822 1.064 -16.673 662 2HD ARG 10 HDR ARG 10 2.365 0.007 -15.308 663 HE ARG 10 HE ARG 10 2.352 2.878 -14.741 664 1HH1 ARG 10 HH1 ARG 10 0.458 0.204 -16.042 665 2HH1 ARG 10 HH1 ARG 10 -1.047 0.857 -15.488 666 1HH2 ARG 10 HH2 ARG 10 0.379 3.636 -13.921 667 2HH2 ARG 10 HH2 ARG 10 -1.093 2.800 -14.289 668 H ILE 11 HN ILE 11 4.069 0.230 -10.372 669 HA ILE 11 HA ILE 11 6.009 1.919 -9.103 670 HB ILE 11 HB ILE 11 4.159 -0.254 -8.006 671 1HG1 ILE 11 HG1 ILE 11 3.922 2.766 -8.234 672 2HG1 ILE 11 HG1 ILE 11 2.929 1.521 -9.043 673 1HG2 ILE 11 HMG ILE 11 6.204 0.322 -6.577 674 2HG2 ILE 11 HMG ILE 11 5.425 1.909 -6.341 675 3HG2 ILE 11 HMG ILE 11 4.593 0.421 -5.817 676 1HD1 ILE 11 HMD ILE 11 2.494 0.887 -6.442 677 2HD1 ILE 11 HMD ILE 11 2.736 2.649 -6.316 678 3HD1 ILE 11 HMD ILE 11 1.471 1.999 -7.391 679 H ILE 12 HN ILE 12 5.651 -1.638 -9.328 680 HA ILE 12 HA ILE 12 8.041 -2.197 -7.803 681 HB ILE 12 HB ILE 12 6.623 -4.048 -9.772 682 1HG1 ILE 12 HG1 ILE 12 4.863 -3.169 -8.457 683 2HG1 ILE 12 HG1 ILE 12 5.240 -4.782 -7.786 684 1HG2 ILE 12 HMG ILE 12 8.759 -4.389 -7.861 685 2HG2 ILE 12 HMG ILE 12 7.381 -5.452 -7.478 686 3HG2 ILE 12 HMG ILE 12 8.132 -5.513 -9.094 687 1HD1 ILE 12 HMD ILE 12 6.535 -2.374 -6.563 688 2HD1 ILE 12 HMD ILE 12 4.817 -2.706 -6.217 689 3HD1 ILE 12 HMD ILE 12 6.058 -3.924 -5.822 690 H LYS 13 HN LYS 13 7.213 -1.828 -11.224 691 HA LYS 13 HA LYS 13 9.786 -2.416 -12.334 692 1HB LYS 13 HBR LYS 13 7.371 -0.857 -13.181 693 2HB LYS 13 HBS LYS 13 8.919 -0.564 -14.024 694 1HG LYS 13 HGR LYS 13 9.044 -3.070 -14.424 695 2HG LYS 13 HGS LYS 13 7.365 -3.168 -13.823 696 1HD LYS 13 HDS LYS 13 6.780 -2.910 -15.938 697 2HD LYS 13 HDR LYS 13 7.064 -1.223 -15.614 698 1HE LYS 13 HES LYS 13 9.558 -2.400 -16.335 699 2HE LYS 13 HER LYS 13 8.311 -2.859 -17.529 700 1HZ LYS 13 HZC LYS 13 7.746 -0.477 -17.616 701 2HZ LYS 13 HZA LYS 13 9.058 -0.144 -16.701 702 3HZ LYS 13 HZB LYS 13 9.241 -0.817 -18.177 703 H ASP 14 HN ASP 14 8.263 0.547 -11.053 704 HA ASP 14 HA ASP 14 10.260 2.297 -11.585 705 1HB ASP 14 HBS ASP 14 7.997 2.810 -10.693 706 2HB ASP 14 HBR ASP 14 8.612 2.395 -9.066 707 H ALA 15 HN ALA 15 10.057 0.126 -8.809 708 HA ALA 15 HA ALA 15 12.469 0.678 -7.540 709 1HB ALA 15 HMB ALA 15 10.541 -1.359 -7.520 710 2HB ALA 15 HMB ALA 15 12.096 -2.170 -7.839 711 3HB ALA 15 HMB ALA 15 11.908 -1.139 -6.398 712 H GLY 16 HN GLY 16 11.889 -1.320 -10.433 713 1HA GLY 16 HAR GLY 16 13.806 -1.408 -12.041 714 2HA GLY 16 HAS GLY 16 14.835 -1.815 -10.643 715 H ALA 17 HN ALA 17 11.653 -3.100 -10.507 716 HA ALA 17 HA ALA 17 12.299 -5.831 -10.929 717 1HB ALA 17 HMB ALA 17 9.828 -4.171 -10.804 718 2HB ALA 17 HMB ALA 17 9.709 -5.788 -11.544 719 3HB ALA 17 HMB ALA 17 10.303 -5.614 -9.873 720 H GLU 18 HN GLU 18 12.716 -6.940 -12.685 721 HA GLU 18 HA GLU 18 12.869 -5.580 -15.287 722 1HB GLU 18 HBR GLU 18 14.320 -7.485 -14.020 723 2HB GLU 18 HBS GLU 18 13.214 -8.472 -14.808 724 1HG GLU 18 HGS GLU 18 14.976 -6.488 -16.217 725 2HG GLU 18 HGR GLU 18 15.237 -8.253 -16.254 726 H ARG 19 HN ARG 19 11.173 -8.377 -13.818 727 HA ARG 19 HA ARG 19 8.826 -7.805 -15.405 728 1HB ARG 19 HBR ARG 19 10.400 -9.390 -16.801 729 2HB ARG 19 HBS ARG 19 9.774 -10.639 -15.687 730 1HG ARG 19 HGS ARG 19 7.964 -8.814 -17.287 731 2HG ARG 19 HGR ARG 19 8.569 -10.373 -17.915 732 1HD ARG 19 HDS ARG 19 7.663 -11.057 -15.433 733 2HD ARG 19 HDR ARG 19 6.505 -9.791 -15.924 734 HE ARG 19 HE ARG 19 5.586 -11.308 -17.377 735 1HH1 ARG 19 HH1 ARG 19 9.002 -12.112 -17.040 736 2HH1 ARG 19 HH1 ARG 19 8.845 -13.612 -17.890 737 1HH2 ARG 19 HH2 ARG 19 5.394 -13.338 -18.369 738 2HH2 ARG 19 HH2 ARG 19 6.804 -14.307 -18.644 739 H VAL 20 HN VAL 20 7.559 -7.644 -13.691 740 HA VAL 20 HA VAL 20 7.516 -9.753 -11.630 741 HB VAL 20 HB VAL 20 5.675 -7.374 -11.887 742 1HG1 VAL 20 HMG VAL 20 5.224 -9.395 -10.306 743 2HG1 VAL 20 HMG VAL 20 6.503 -8.664 -9.307 744 3HG1 VAL 20 HMG VAL 20 5.038 -7.732 -9.700 745 1HG2 VAL 20 HMG VAL 20 8.047 -6.640 -11.882 746 2HG2 VAL 20 HMG VAL 20 7.119 -6.096 -10.464 747 3HG2 VAL 20 HMG VAL 20 8.258 -7.456 -10.314 748 H SER 21 HN SER 21 6.218 -11.419 -11.664 749 HA SER 21 HA SER 21 4.323 -11.959 -13.777 750 1HB SER 21 HBS SER 21 5.273 -13.828 -12.685 751 2HB SER 21 HBR SER 21 4.816 -13.217 -11.068 752 HG SER 21 HG SER 21 3.058 -14.224 -11.185 753 H ASP 22 HN ASP 22 2.134 -11.784 -13.764 754 HA ASP 22 HA ASP 22 1.025 -9.597 -12.485 755 1HB ASP 22 HBS ASP 22 -1.185 -10.495 -13.231 756 2HB ASP 22 HBR ASP 22 0.069 -10.292 -14.489 757 H ASP 23 HN ASP 23 1.358 -12.842 -11.333 758 HA ASP 23 HA ASP 23 -0.646 -12.503 -9.297 759 1HB ASP 23 HBS ASP 23 -0.376 -14.626 -10.383 760 2HB ASP 23 HBR ASP 23 1.302 -14.757 -9.782 761 H ALA 24 HN ALA 24 2.762 -11.995 -9.517 762 HA ALA 24 HA ALA 24 3.286 -11.781 -6.666 763 1HB ALA 24 HMB ALA 24 4.661 -10.767 -9.158 764 2HB ALA 24 HMB ALA 24 5.216 -10.373 -7.511 765 3HB ALA 24 HMB ALA 24 5.166 -12.070 -8.053 766 H ARG 25 HN ARG 25 2.396 -9.566 -9.322 767 HA ARG 25 HA ARG 25 2.561 -7.277 -7.623 768 1HB ARG 25 HBR ARG 25 1.527 -6.102 -9.632 769 2HB ARG 25 HBS ARG 25 3.107 -6.905 -9.862 770 1HG ARG 25 HGS ARG 25 1.916 -8.836 -10.896 771 2HG ARG 25 HGR ARG 25 0.391 -7.913 -10.770 772 1HD ARG 25 HDS ARG 25 1.984 -6.091 -11.962 773 2HD ARG 25 HDR ARG 25 2.673 -7.607 -12.608 774 HE ARG 25 HE ARG 25 -0.137 -6.695 -12.945 775 1HH1 ARG 25 HH1 ARG 25 2.422 -8.984 -13.739 776 2HH1 ARG 25 HH1 ARG 25 1.710 -9.422 -15.255 777 1HH2 ARG 25 HH2 ARG 25 -0.995 -7.229 -14.973 778 2HH2 ARG 25 HH2 ARG 25 -0.235 -8.445 -15.944 779 H ILE 26 HN ILE 26 0.032 -9.496 -8.365 780 HA ILE 26 HA ILE 26 -2.104 -7.773 -7.341 781 HB ILE 26 HB ILE 26 -2.376 -9.703 -9.039 782 1HG1 ILE 26 HG1 ILE 26 -4.194 -8.438 -8.030 783 2HG1 ILE 26 HG1 ILE 26 -4.643 -10.153 -8.249 784 1HG2 ILE 26 HMG ILE 26 -1.280 -11.275 -7.035 785 2HG2 ILE 26 HMG ILE 26 -3.023 -11.647 -6.982 786 3HG2 ILE 26 HMG ILE 26 -2.118 -11.835 -8.508 787 1HD1 ILE 26 HMD ILE 26 -3.862 -10.353 -5.744 788 2HD1 ILE 26 HMD ILE 26 -4.179 -8.597 -5.729 789 3HD1 ILE 26 HMD ILE 26 -5.486 -9.735 -6.150 790 H THR 27 HN THR 27 0.028 -10.372 -6.181 791 HA THR 27 HA THR 27 -0.924 -10.563 -3.567 792 HB THR 27 HB THR 27 1.942 -10.859 -4.624 793 HG1 THR 27 HG1 THR 27 1.051 -12.202 -5.428 794 1HG2 THR 27 HMG THR 27 1.999 -10.484 -2.188 795 2HG2 THR 27 HMG THR 27 0.850 -11.828 -1.970 796 3HG2 THR 27 HMG THR 27 2.473 -12.142 -2.636 797 H LEU 28 HN LEU 28 1.311 -8.208 -4.994 798 HA LEU 28 HA LEU 28 1.719 -6.616 -2.640 799 1HB LEU 28 HBR LEU 28 2.078 -6.429 -5.572 800 2HB LEU 28 HBS LEU 28 1.821 -4.875 -4.733 801 HG LEU 28 HG LEU 28 4.138 -5.121 -4.921 802 1HD1 LEU 28 HMD LEU 28 2.901 -5.291 -2.345 803 2HD1 LEU 28 HMD LEU 28 4.419 -6.223 -2.311 804 3HD1 LEU 28 HMD LEU 28 4.435 -4.512 -2.805 805 1HD2 LEU 28 HMD LEU 28 3.514 -7.983 -4.301 806 2HD2 LEU 28 HMD LEU 28 4.562 -7.281 -5.559 807 3HD2 LEU 28 HMD LEU 28 5.120 -7.343 -3.868 808 H ALA 29 HN ALA 29 -0.766 -6.740 -5.178 809 HA ALA 29 HA ALA 29 -2.160 -4.408 -4.474 810 1HB ALA 29 HMB ALA 29 -2.367 -6.237 -6.442 811 2HB ALA 29 HMB ALA 29 -3.762 -6.706 -5.436 812 3HB ALA 29 HMB ALA 29 -3.630 -5.040 -6.054 813 H LYS 30 HN LYS 30 -2.966 -7.797 -3.611 814 HA LYS 30 HA LYS 30 -4.979 -7.147 -1.790 815 1HB LYS 30 HBR LYS 30 -3.939 -9.473 -2.807 816 2HB LYS 30 HBS LYS 30 -3.448 -9.564 -1.091 817 1HG LYS 30 HGR LYS 30 -5.556 -10.675 -1.276 818 2HG LYS 30 HGS LYS 30 -5.863 -9.105 -0.481 819 1HD LYS 30 HDS LYS 30 -7.556 -9.050 -1.949 820 2HD LYS 30 HDR LYS 30 -6.315 -8.283 -2.899 821 1HE LYS 30 HES LYS 30 -5.819 -10.734 -3.715 822 2HE LYS 30 HER LYS 30 -7.507 -10.985 -3.189 823 1HZ LYS 30 HZB LYS 30 -6.771 -8.766 -4.947 824 2HZ LYS 30 HZC LYS 30 -7.106 -10.246 -5.549 825 3HZ LYS 30 HZA LYS 30 -8.243 -9.431 -4.706 826 H ILE 31 HN ILE 31 -1.497 -7.324 -1.370 827 HA ILE 31 HA ILE 31 -1.452 -7.156 1.525 828 HB ILE 31 HB ILE 31 0.555 -6.573 -0.695 829 1HG1 ILE 31 HG1 ILE 31 0.751 -8.691 1.452 830 2HG1 ILE 31 HG1 ILE 31 -0.274 -8.930 0.007 831 1HG2 ILE 31 HMG ILE 31 0.691 -5.381 1.806 832 2HG2 ILE 31 HMG ILE 31 1.748 -6.811 1.944 833 3HG2 ILE 31 HMG ILE 31 2.030 -5.614 0.652 834 1HD1 ILE 31 HMD ILE 31 1.801 -8.425 -1.374 835 2HD1 ILE 31 HMD ILE 31 2.726 -8.575 0.143 836 3HD1 ILE 31 HMD ILE 31 1.797 -9.966 -0.476 837 H LEU 32 HN LEU 32 -0.368 -4.707 -0.828 838 HA LEU 32 HA LEU 32 -0.507 -2.613 0.870 839 1HB LEU 32 HBR LEU 32 -0.629 -2.900 -2.110 840 2HB LEU 32 HBS LEU 32 -0.771 -1.275 -1.384 841 HG LEU 32 HG LEU 32 1.470 -2.414 -0.162 842 1HD1 LEU 32 HMD LEU 32 1.367 -3.029 -3.130 843 2HD1 LEU 32 HMD LEU 32 2.862 -2.981 -2.162 844 3HD1 LEU 32 HMD LEU 32 1.598 -4.180 -1.789 845 1HD2 LEU 32 HMD LEU 32 0.715 -0.246 -1.967 846 2HD2 LEU 32 HMD LEU 32 1.881 -0.264 -0.620 847 3HD2 LEU 32 HMD LEU 32 2.384 -0.808 -2.241 848 H GLU 33 HN GLU 33 -3.202 -4.105 -0.685 849 HA GLU 33 HA GLU 33 -4.985 -1.843 -0.198 850 1HB GLU 33 HBR GLU 33 -5.063 -3.285 -2.189 851 2HB GLU 33 HBS GLU 33 -5.259 -4.636 -1.214 852 1HG GLU 33 HGS GLU 33 -7.353 -3.200 -0.294 853 2HG GLU 33 HGR GLU 33 -7.390 -2.715 -2.011 854 H GLU 34 HN GLU 34 -4.044 -4.816 1.366 855 HA GLU 34 HA GLU 34 -6.160 -5.015 3.311 856 1HB GLU 34 HBR GLU 34 -3.744 -6.277 2.625 857 2HB GLU 34 HBS GLU 34 -3.438 -5.579 4.120 858 1HG GLU 34 HGS GLU 34 -4.361 -7.246 5.185 859 2HG GLU 34 HGR GLU 34 -5.965 -6.760 4.569 860 H MET 35 HN MET 35 -2.902 -3.499 3.379 861 HA MET 35 HA MET 35 -3.303 -2.358 5.934 862 1HB MET 35 HBS MET 35 -1.135 -2.872 4.443 863 2HB MET 35 HBR MET 35 -1.286 -1.119 4.133 864 1HG MET 35 HGS MET 35 -1.452 -0.797 6.655 865 2HG MET 35 HGR MET 35 -1.032 -2.519 6.818 866 1HE MET 35 HME MET 35 -0.223 0.816 6.568 867 2HE MET 35 HME MET 35 1.526 0.822 6.910 868 3HE MET 35 HME MET 35 0.942 1.055 5.242 869 H GLY 36 HN GLY 36 -3.882 -1.157 2.685 870 1HA GLY 36 HAR GLY 36 -4.243 1.568 3.268 871 2HA GLY 36 HAS GLY 36 -5.004 0.697 1.909 872 H ARG 37 HN ARG 37 -6.575 -1.139 3.283 873 HA ARG 37 HA ARG 37 -8.834 0.318 4.280 874 1HB ARG 37 HBR ARG 37 -8.095 -2.451 3.812 875 2HB ARG 37 HBS ARG 37 -8.915 -2.256 5.389 876 1HG ARG 37 HGS ARG 37 -10.913 -1.762 4.443 877 2HG ARG 37 HGR ARG 37 -10.175 -0.880 3.076 878 1HD ARG 37 HDS ARG 37 -10.984 -2.702 1.995 879 2HD ARG 37 HDR ARG 37 -9.345 -3.278 2.410 880 HE ARG 37 HE ARG 37 -11.879 -4.103 3.703 881 1HH1 ARG 37 HH1 ARG 37 -8.360 -4.296 3.627 882 2HH1 ARG 37 HH1 ARG 37 -8.321 -5.864 4.362 883 1HH2 ARG 37 HH2 ARG 37 -11.794 -6.207 4.542 884 2HH2 ARG 37 HH2 ARG 37 -10.264 -6.946 4.880 885 H ASP 38 HN ASP 38 -5.953 -1.105 5.733 886 HA ASP 38 HA ASP 38 -6.799 -0.883 8.399 887 1HB ASP 38 HBS ASP 38 -4.802 -2.152 7.293 888 2HB ASP 38 HBR ASP 38 -3.898 -0.678 7.746 889 H ILE 39 HN ILE 39 -4.765 1.346 6.485 890 HA ILE 39 HA ILE 39 -4.377 3.203 8.671 891 HB ILE 39 HB ILE 39 -4.136 3.808 5.691 892 1HG1 ILE 39 HG1 ILE 39 -1.817 2.763 7.309 893 2HG1 ILE 39 HG1 ILE 39 -2.991 1.621 6.595 894 1HG2 ILE 39 HMG ILE 39 -3.936 5.722 7.199 895 2HG2 ILE 39 HMG ILE 39 -2.624 4.892 8.077 896 3HG2 ILE 39 HMG ILE 39 -2.397 5.363 6.371 897 1HD1 ILE 39 HMD ILE 39 -2.517 2.975 4.396 898 2HD1 ILE 39 HMD ILE 39 -1.023 3.442 5.252 899 3HD1 ILE 39 HMD ILE 39 -1.378 1.719 4.951 900 H ALA 40 HN ALA 40 -6.881 2.557 6.364 901 HA ALA 40 HA ALA 40 -8.058 5.213 6.261 902 1HB ALA 40 HMB ALA 40 -8.620 2.527 5.227 903 2HB ALA 40 HMB ALA 40 -10.075 3.424 5.734 904 3HB ALA 40 HMB ALA 40 -8.964 4.133 4.534 905 H SER 41 HN SER 41 -9.510 2.214 7.543 906 HA SER 41 HA SER 41 -11.344 3.567 9.095 907 1HB SER 41 HBS SER 41 -12.020 1.526 9.975 908 2HB SER 41 HBR SER 41 -11.329 1.112 8.380 909 HG SER 41 HG SER 41 -10.267 -0.316 9.395 910 H GLU 42 HN GLU 42 -8.038 2.867 9.833 911 HA GLU 42 HA GLU 42 -8.296 3.452 12.651 912 1HB GLU 42 HBR GLU 42 -6.106 2.961 10.663 913 2HB GLU 42 HBS GLU 42 -5.725 3.702 12.118 914 1HG GLU 42 HGS GLU 42 -5.527 1.142 12.016 915 2HG GLU 42 HGR GLU 42 -6.193 1.862 13.506 916 H ALA 43 HN ALA 43 -7.223 5.224 9.756 917 HA ALA 43 HA ALA 43 -6.742 7.732 11.157 918 1HB ALA 43 HMB ALA 43 -7.163 7.006 8.249 919 2HB ALA 43 HMB ALA 43 -6.848 8.659 8.836 920 3HB ALA 43 HMB ALA 43 -5.632 7.381 9.080 921 H ILE 44 HN ILE 44 -9.467 5.896 10.191 922 HA ILE 44 HA ILE 44 -11.269 8.173 10.201 923 HB ILE 44 HB ILE 44 -11.663 5.154 9.965 924 1HG1 ILE 44 HG1 ILE 44 -12.075 7.313 7.874 925 2HG1 ILE 44 HG1 ILE 44 -10.504 6.508 8.148 926 1HG2 ILE 44 HMG ILE 44 -13.772 7.310 9.722 927 2HG2 ILE 44 HMG ILE 44 -13.973 5.600 9.259 928 3HG2 ILE 44 HMG ILE 44 -13.681 6.034 10.964 929 1HD1 ILE 44 HMD ILE 44 -13.058 5.027 7.469 930 2HD1 ILE 44 HMD ILE 44 -11.872 5.577 6.254 931 3HD1 ILE 44 HMD ILE 44 -11.393 4.387 7.494 932 H LYS 45 HN LYS 45 -10.942 5.222 12.214 933 HA LYS 45 HA LYS 45 -12.430 6.142 14.450 934 1HB LYS 45 HBR LYS 45 -11.001 3.849 13.808 935 2HB LYS 45 HBS LYS 45 -10.068 4.567 15.153 936 1HG LYS 45 HGR LYS 45 -11.524 3.362 16.416 937 2HG LYS 45 HGS LYS 45 -12.567 4.791 16.166 938 1HD LYS 45 HDS LYS 45 -13.568 3.662 14.199 939 2HD LYS 45 HDR LYS 45 -12.605 2.253 14.549 940 1HE LYS 45 HES LYS 45 -13.911 1.564 16.228 941 2HE LYS 45 HER LYS 45 -14.164 3.227 16.829 942 1HZ LYS 45 HZA LYS 45 -15.459 2.158 14.421 943 2HZ LYS 45 HZB LYS 45 -16.152 2.139 15.900 944 3HZ LYS 45 HZC LYS 45 -15.793 3.563 15.185 945 H LEU 46 HN LEU 46 -9.364 7.061 13.164 946 HA LEU 46 HA LEU 46 -8.365 8.377 15.553 947 1HB LEU 46 HBR LEU 46 -7.672 8.126 12.670 948 2HB LEU 46 HBS LEU 46 -7.096 9.586 13.522 949 HG LEU 46 HG LEU 46 -6.570 6.872 14.688 950 1HD1 LEU 46 HMD LEU 46 -5.348 8.083 12.239 951 2HD1 LEU 46 HMD LEU 46 -4.278 7.269 13.408 952 3HD1 LEU 46 HMD LEU 46 -5.623 6.373 12.659 953 1HD2 LEU 46 HMD LEU 46 -5.831 9.658 15.077 954 2HD2 LEU 46 HMD LEU 46 -5.604 8.255 16.152 955 3HD2 LEU 46 HMD LEU 46 -4.395 8.619 14.895 956 H ALA 47 HN ALA 47 -10.078 9.378 12.580 957 HA ALA 47 HA ALA 47 -10.036 12.141 13.215 958 1HB ALA 47 HMB ALA 47 -10.636 10.602 11.016 959 2HB ALA 47 HMB ALA 47 -12.224 11.274 11.469 960 3HB ALA 47 HMB ALA 47 -10.852 12.366 11.153 961 H ARG 48 HN ARG 48 -12.319 9.555 13.914 962 HA ARG 48 HA ARG 48 -14.386 11.218 15.074 963 1HB ARG 48 HBR ARG 48 -14.585 8.770 14.356 964 2HB ARG 48 HBS ARG 48 -13.721 8.379 15.871 965 1HG ARG 48 HGS ARG 48 -15.487 9.214 17.212 966 2HG ARG 48 HGR ARG 48 -16.269 10.013 15.818 967 1HD ARG 48 HDS ARG 48 -15.908 7.033 16.140 968 2HD ARG 48 HDR ARG 48 -17.392 7.940 16.545 969 HE ARG 48 HE ARG 48 -17.821 8.235 14.256 970 1HH1 ARG 48 HH1 ARG 48 -14.896 6.347 14.816 971 2HH1 ARG 48 HH1 ARG 48 -14.698 5.956 13.141 972 1HH2 ARG 48 HH2 ARG 48 -17.455 7.811 12.060 973 2HH2 ARG 48 HH2 ARG 48 -16.146 6.783 11.581 974 H HIS 49 HN HIS 49 -11.533 9.449 16.286 975 HA HIS 49 HA HIS 49 -11.703 10.175 18.963 976 1HB HIS 49 HBS HIS 49 -9.917 8.673 17.664 977 2HB HIS 49 HBR HIS 49 -8.966 10.185 17.722 978 HD1 HIS 49 HD1 HIS 49 -10.378 7.471 19.973 979 HD2 HIS 49 HD2 HIS 49 -8.124 10.962 20.254 980 HE1 HIS 49 HE1 HIS 49 -9.545 7.587 22.334 981 HE2 HIS 49 HE2 HIS 49 -8.198 9.708 22.516 982 H ALA 50 HN ALA 50 -10.326 11.981 16.234 983 HA ALA 50 HA ALA 50 -9.573 14.340 17.681 984 1HB ALA 50 HMB ALA 50 -9.243 13.536 15.157 985 2HB ALA 50 HMB ALA 50 -10.694 14.545 14.933 986 3HB ALA 50 HMB ALA 50 -9.219 15.251 15.640 987 H GLY 51 HN GLY 51 -12.579 13.261 16.085 988 1HA GLY 51 HAR GLY 51 -14.756 13.766 16.780 989 2HA GLY 51 HAS GLY 51 -14.121 15.097 17.782 990 H ARG 52 HN ARG 52 -13.412 14.502 14.354 991 HA ARG 52 HA ARG 52 -15.014 16.809 13.469 992 1HB ARG 52 HBR ARG 52 -12.728 17.654 12.435 993 2HB ARG 52 HBS ARG 52 -13.295 18.170 14.049 994 1HG ARG 52 HGS ARG 52 -11.778 16.695 15.149 995 2HG ARG 52 HGR ARG 52 -11.364 15.874 13.617 996 1HD ARG 52 HDS ARG 52 -9.697 17.546 14.530 997 2HD ARG 52 HDR ARG 52 -10.178 17.716 12.819 998 HE ARG 52 HE ARG 52 -10.836 19.535 15.034 999 1HH1 ARG 52 HH1 ARG 52 -11.001 18.753 11.599 1000 2HH1 ARG 52 HH1 ARG 52 -11.739 20.262 11.181 1001 1HH2 ARG 52 HH2 ARG 52 -11.920 21.443 14.464 1002 2HH2 ARG 52 HH2 ARG 52 -12.259 21.785 12.800 1003 H LYS 53 HN LYS 53 -15.200 16.963 11.251 1004 HA LYS 53 HA LYS 53 -15.070 14.363 9.989 1005 1HB LYS 53 HBR LYS 53 -16.056 17.035 8.937 1006 2HB LYS 53 HBS LYS 53 -16.272 15.448 8.143 1007 1HG LYS 53 HGR LYS 53 -17.388 14.820 10.471 1008 2HG LYS 53 HGS LYS 53 -17.626 16.588 10.569 1009 1HD LYS 53 HDS LYS 53 -18.417 15.935 7.989 1010 2HD LYS 53 HDR LYS 53 -18.974 14.590 8.945 1011 1HE LYS 53 HES LYS 53 -19.662 16.814 10.470 1012 2HE LYS 53 HER LYS 53 -20.008 17.268 8.777 1013 1HZ LYS 53 HZB LYS 53 -21.123 15.015 8.689 1014 2HZ LYS 53 HZC LYS 53 -21.102 15.044 10.322 1015 3HZ LYS 53 HZA LYS 53 -21.898 16.205 9.494 1016 H THR 54 HN THR 54 -14.450 14.190 7.661 1017 HA THR 54 HA THR 54 -12.928 14.292 5.956 1018 HB THR 54 HB THR 54 -12.343 17.107 7.032 1019 HG1 THR 54 HG1 THR 54 -13.442 17.694 5.463 1020 1HG2 THR 54 HMG THR 54 -10.810 15.593 5.187 1021 2HG2 THR 54 HMG THR 54 -11.703 16.825 4.259 1022 3HG2 THR 54 HMG THR 54 -10.652 17.316 5.613 1023 H ILE 55 HN ILE 55 -11.298 12.971 6.069 1024 HA ILE 55 HA ILE 55 -9.292 13.198 8.231 1025 HB ILE 55 HB ILE 55 -9.732 11.113 6.040 1026 1HG1 ILE 55 HG1 ILE 55 -10.136 10.983 9.054 1027 2HG1 ILE 55 HG1 ILE 55 -11.424 11.170 7.831 1028 1HG2 ILE 55 HMG ILE 55 -7.452 11.548 7.867 1029 2HG2 ILE 55 HMG ILE 55 -8.074 9.879 7.780 1030 3HG2 ILE 55 HMG ILE 55 -7.537 10.710 6.295 1031 1HD1 ILE 55 HMD ILE 55 -10.723 8.955 6.879 1032 2HD1 ILE 55 HMD ILE 55 -9.629 8.770 8.277 1033 3HD1 ILE 55 HMD ILE 55 -11.391 8.884 8.532 1034 H LYS 56 HN LYS 56 -7.121 13.520 7.820 1035 HA LYS 56 HA LYS 56 -6.506 14.831 5.213 1036 1HB LYS 56 HBR LYS 56 -6.605 15.957 7.947 1037 2HB LYS 56 HBS LYS 56 -5.125 16.329 7.018 1038 1HG LYS 56 HGR LYS 56 -6.221 17.947 5.941 1039 2HG LYS 56 HGS LYS 56 -7.347 16.730 5.275 1040 1HD LYS 56 HDS LYS 56 -8.961 17.754 6.354 1041 2HD LYS 56 HDR LYS 56 -8.299 17.036 7.797 1042 1HE LYS 56 HES LYS 56 -6.742 19.300 7.466 1043 2HE LYS 56 HER LYS 56 -8.389 19.808 6.992 1044 1HZ LYS 56 HZB LYS 56 -8.697 18.312 9.239 1045 2HZ LYS 56 HZC LYS 56 -7.379 19.221 9.555 1046 3HZ LYS 56 HZA LYS 56 -8.785 19.939 9.136 1047 H ALA 57 HN ALA 57 -4.067 15.552 5.357 1048 HA ALA 57 HA ALA 57 -2.647 13.186 5.053 1049 1HB ALA 57 HMB ALA 57 -1.818 16.068 5.300 1050 2HB ALA 57 HMB ALA 57 -0.613 14.771 5.099 1051 3HB ALA 57 HMB ALA 57 -1.870 15.019 3.860 1052 H GLU 58 HN GLU 58 -3.131 15.125 7.900 1053 HA GLU 58 HA GLU 58 -0.989 13.935 9.418 1054 1HB GLU 58 HBR GLU 58 -1.764 15.315 11.117 1055 2HB GLU 58 HBS GLU 58 -1.968 16.138 9.670 1056 1HG GLU 58 HGS GLU 58 -4.318 15.697 9.515 1057 2HG GLU 58 HGR GLU 58 -4.316 14.728 11.014 1058 H ASP 59 HN ASP 59 -4.555 13.567 9.412 1059 HA ASP 59 HA ASP 59 -4.698 11.537 11.284 1060 1HB ASP 59 HBS ASP 59 -6.473 12.694 9.302 1061 2HB ASP 59 HBR ASP 59 -6.785 10.956 9.581 1062 H ILE 60 HN ILE 60 -3.623 11.379 8.001 1063 HA ILE 60 HA ILE 60 -4.010 8.521 7.790 1064 HB ILE 60 HB ILE 60 -2.719 10.614 5.977 1065 1HG1 ILE 60 HG1 ILE 60 -5.149 10.788 6.397 1066 2HG1 ILE 60 HG1 ILE 60 -4.753 10.455 4.686 1067 1HG2 ILE 60 HMG ILE 60 -3.212 7.685 5.403 1068 2HG2 ILE 60 HMG ILE 60 -2.847 8.919 4.168 1069 3HG2 ILE 60 HMG ILE 60 -1.647 8.538 5.432 1070 1HD1 ILE 60 HMD ILE 60 -5.185 7.986 6.130 1071 2HD1 ILE 60 HMD ILE 60 -6.577 9.083 6.324 1072 3HD1 ILE 60 HMD ILE 60 -6.022 8.627 4.691 1073 H GLU 61 HN GLU 61 -1.143 10.671 7.858 1074 HA GLU 61 HA GLU 61 0.801 8.520 8.111 1075 1HB GLU 61 HBR GLU 61 1.056 11.371 9.045 1076 2HB GLU 61 HBS GLU 61 2.261 10.269 8.661 1077 1HG GLU 61 HGS GLU 61 1.682 10.177 6.320 1078 2HG GLU 61 HGR GLU 61 0.359 11.354 6.536 1079 H LEU 62 HN LEU 62 -1.513 10.079 10.140 1080 HA LEU 62 HA LEU 62 -0.359 9.369 12.699 1081 1HB LEU 62 HBR LEU 62 -2.977 10.308 11.606 1082 2HB LEU 62 HBS LEU 62 -2.965 9.515 13.206 1083 HG LEU 62 HG LEU 62 -1.474 12.028 12.406 1084 1HD1 LEU 62 HMD LEU 62 -4.008 12.067 12.860 1085 2HD1 LEU 62 HMD LEU 62 -3.577 11.690 14.547 1086 3HD1 LEU 62 HMD LEU 62 -2.978 13.187 13.787 1087 1HD2 LEU 62 HMD LEU 62 -1.493 10.325 14.909 1088 2HD2 LEU 62 HMD LEU 62 -0.099 10.830 13.921 1089 3HD2 LEU 62 HMD LEU 62 -0.976 12.030 14.904 1090 H ALA 63 HN ALA 63 -3.048 7.971 10.779 1091 HA ALA 63 HA ALA 63 -3.205 5.568 12.178 1092 1HB ALA 63 HMB ALA 63 -4.083 6.566 9.525 1093 2HB ALA 63 HMB ALA 63 -4.059 4.799 9.752 1094 3HB ALA 63 HMB ALA 63 -5.013 5.826 10.852 1095 H VAL 64 HN VAL 64 -1.059 6.546 9.569 1096 HA VAL 64 HA VAL 64 0.047 3.920 9.030 1097 HB VAL 64 HB VAL 64 0.904 6.756 8.449 1098 1HG1 VAL 64 HMG VAL 64 2.424 4.213 7.980 1099 2HG1 VAL 64 HMG VAL 64 2.523 5.535 6.793 1100 3HG1 VAL 64 HMG VAL 64 3.004 5.819 8.483 1101 1HG2 VAL 64 HMG VAL 64 -0.722 4.763 7.092 1102 2HG2 VAL 64 HMG VAL 64 -0.565 6.515 6.813 1103 3HG2 VAL 64 HMG VAL 64 0.595 5.388 6.069 1104 H ARG 65 HN ARG 65 1.713 6.755 10.410 1105 HA ARG 65 HA ARG 65 3.774 5.195 11.477 1106 1HB ARG 65 HBR ARG 65 3.147 7.952 11.309 1107 2HB ARG 65 HBS ARG 65 3.487 7.603 13.028 1108 1HG ARG 65 HGS ARG 65 5.626 6.484 12.245 1109 2HG ARG 65 HGR ARG 65 5.299 7.188 10.636 1110 1HD ARG 65 HDS ARG 65 6.828 8.556 11.955 1111 2HD ARG 65 HDR ARG 65 5.306 9.411 11.574 1112 HE ARG 65 HE ARG 65 5.073 9.691 13.835 1113 1HH1 ARG 65 HH1 ARG 65 7.028 6.802 13.328 1114 2HH1 ARG 65 HH1 ARG 65 7.025 6.372 15.006 1115 1HH2 ARG 65 HH2 ARG 65 4.985 9.029 16.001 1116 2HH2 ARG 65 HH2 ARG 65 5.871 7.634 16.520 1117 H ARG 66 HN ARG 66 0.615 5.745 12.686 1118 HA ARG 66 HA ARG 66 0.985 5.023 15.413 1119 1HB ARG 66 HBR ARG 66 -1.143 5.858 14.562 1120 2HB ARG 66 HBS ARG 66 -1.325 4.401 13.541 1121 1HG ARG 66 HGS ARG 66 -0.959 3.988 16.473 1122 2HG ARG 66 HGR ARG 66 -2.516 4.669 15.925 1123 1HD ARG 66 HDS ARG 66 -2.253 2.698 14.145 1124 2HD ARG 66 HDR ARG 66 -1.325 1.992 15.498 1125 HE ARG 66 HE ARG 66 -4.057 3.032 15.986 1126 1HH1 ARG 66 HH1 ARG 66 -1.950 0.243 15.532 1127 2HH1 ARG 66 HH1 ARG 66 -2.978 -0.818 16.437 1128 1HH2 ARG 66 HH2 ARG 66 -5.309 1.648 17.272 1129 2HH2 ARG 66 HH2 ARG 66 -4.880 -0.024 17.421 1130 H PHE 67 HN PHE 67 0.042 2.966 12.625 1131 HA PHE 67 HA PHE 67 0.627 0.498 13.801 1132 1HB PHE 67 HBR PHE 67 1.229 0.933 10.868 1133 2HB PHE 67 HBS PHE 67 0.544 -0.496 11.696 1134 HD1 PHE 67 HD1 PHE 67 -1.569 0.438 13.226 1135 HD2 PHE 67 HD2 PHE 67 -0.442 1.689 9.311 1136 HE1 PHE 67 HE1 PHE 67 -3.874 1.174 12.820 1137 HE2 PHE 67 HE2 PHE 67 -2.757 2.454 8.885 1138 HZ PHE 67 HZ PHE 67 -4.500 2.059 10.603 1139 H LYS 68 HN LYS 68 2.743 2.476 11.691 1140 HA LYS 68 HA LYS 68 5.010 2.453 11.338 1141 1HB LYS 68 HBR LYS 68 4.780 1.835 14.124 1142 2HB LYS 68 HBS LYS 68 6.016 0.767 13.402 1143 1HG LYS 68 HGR LYS 68 7.062 2.856 12.398 1144 2HG LYS 68 HGS LYS 68 5.952 3.803 13.429 1145 1HD LYS 68 HDS LYS 68 7.411 1.738 14.892 1146 2HD LYS 68 HDR LYS 68 8.463 2.870 14.087 1147 1HE LYS 68 HES LYS 68 7.675 4.705 15.260 1148 2HE LYS 68 HER LYS 68 6.162 3.868 15.709 1149 1HZ LYS 68 HZA LYS 68 8.815 3.074 16.684 1150 2HZ LYS 68 HZB LYS 68 7.806 4.059 17.507 1151 3HZ LYS 68 HZC LYS 68 7.367 2.517 17.195 1152 H LYS 69 HN LYS 69 3.067 0.326 10.543 1153 HA LYS 69 HA LYS 69 4.946 -1.917 10.028 1154 1HB LYS 69 HBR LYS 69 2.404 -2.185 10.617 1155 2HB LYS 69 HBS LYS 69 2.164 -1.747 8.902 1156 1HG LYS 69 HGR LYS 69 4.215 -3.749 9.050 1157 2HG LYS 69 HGS LYS 69 2.819 -4.296 10.021 1158 1HD LYS 69 HDS LYS 69 1.508 -4.602 8.254 1159 2HD LYS 69 HDR LYS 69 2.035 -3.131 7.484 1160 1HE LYS 69 HES LYS 69 3.334 -4.224 6.080 1161 2HE LYS 69 HER LYS 69 4.186 -5.007 7.440 1162 1HZ LYS 69 HZA LYS 69 1.647 -6.139 7.057 1163 2HZ LYS 69 HZB LYS 69 2.492 -6.194 5.660 1164 3HZ LYS 69 HZC LYS 69 3.112 -6.858 7.017 No H/Q in entry = 1164 Start of MODEL 21 Raw file had 1198 H/Q atoms Start of MODEL 21 1 1H MET 1 HNC MET 1 3.006 11.547 -8.173 2 2H MET 1 HNB MET 1 3.771 11.245 -6.763 3 3H MET 1 HN MET 1 3.974 10.239 -8.033 4 HA MET 1 HA MET 1 2.577 9.091 -6.679 5 1HB MET 1 HBS MET 1 0.636 10.028 -5.619 6 2HB MET 1 HBR MET 1 2.086 10.954 -5.168 7 1HG MET 1 HGS MET 1 0.351 11.846 -7.509 8 2HG MET 1 HGR MET 1 -0.159 12.184 -5.840 9 1HE MET 1 HME MET 1 1.923 12.495 -4.209 10 2HE MET 1 HME MET 1 3.260 13.636 -4.500 11 3HE MET 1 HME MET 1 1.611 14.249 -4.219 12 H GLU 2 HN GLU 2 1.193 7.754 -7.629 13 HA GLU 2 HA GLU 2 0.024 8.652 -10.229 14 1HB GLU 2 HBS GLU 2 2.078 6.962 -9.582 15 2HB GLU 2 HBR GLU 2 0.842 5.848 -9.803 16 1HG GLU 2 HGS GLU 2 2.127 7.784 -11.709 17 2HG GLU 2 HGR GLU 2 1.827 6.054 -12.026 18 H LEU 3 HN LEU 3 -0.299 6.611 -7.357 19 HA LEU 3 HA LEU 3 -2.584 5.202 -8.002 20 1HB LEU 3 HBR LEU 3 -2.014 6.335 -5.264 21 2HB LEU 3 HBS LEU 3 -2.782 4.780 -5.693 22 HG LEU 3 HG LEU 3 0.144 5.515 -5.983 23 1HD1 LEU 3 HMD LEU 3 -1.482 3.928 -4.033 24 2HD1 LEU 3 HMD LEU 3 0.150 3.352 -4.452 25 3HD1 LEU 3 HMD LEU 3 -0.070 4.979 -3.760 26 1HD2 LEU 3 HMD LEU 3 -1.571 3.432 -7.171 27 2HD2 LEU 3 HMD LEU 3 0.031 4.032 -7.672 28 3HD2 LEU 3 HMD LEU 3 -0.099 2.815 -6.376 29 HA PRO 4 HA PRO 4 -5.526 8.530 -8.603 30 1HB PRO 4 HBR PRO 4 -7.461 6.689 -9.103 31 2HB PRO 4 HBS PRO 4 -6.654 7.577 -10.225 32 1HG PRO 4 HGS PRO 4 -6.308 4.892 -9.574 33 2HG PRO 4 HGR PRO 4 -5.818 5.697 -10.951 34 1HD PRO 4 HDS PRO 4 -4.177 4.907 -9.006 35 2HD PRO 4 HDR PRO 4 -3.815 6.073 -10.122 36 H ILE 5 HN ILE 5 -7.059 9.509 -7.438 37 HA ILE 5 HA ILE 5 -6.971 8.515 -4.678 38 HB ILE 5 HB ILE 5 -7.686 10.755 -4.036 39 1HG1 ILE 5 HG1 ILE 5 -9.214 10.965 -6.096 40 2HG1 ILE 5 HG1 ILE 5 -8.446 12.437 -5.442 41 1HG2 ILE 5 HMG ILE 5 -5.471 10.749 -6.089 42 2HG2 ILE 5 HMG ILE 5 -5.833 12.124 -5.012 43 3HG2 ILE 5 HMG ILE 5 -5.349 10.552 -4.321 44 1HD1 ILE 5 HMD ILE 5 -6.749 11.309 -7.470 45 2HD1 ILE 5 HMD ILE 5 -8.410 11.469 -8.100 46 3HD1 ILE 5 HMD ILE 5 -7.569 12.892 -7.427 47 H ALA 6 HN ALA 6 -9.139 8.558 -7.315 48 HA ALA 6 HA ALA 6 -11.617 8.406 -5.859 49 1HB ALA 6 HMB ALA 6 -10.681 8.083 -8.605 50 2HB ALA 6 HMB ALA 6 -11.922 6.885 -8.157 51 3HB ALA 6 HMB ALA 6 -12.260 8.626 -7.985 52 HA PRO 7 HA PRO 7 -10.578 3.607 -6.180 53 1HB PRO 7 HBR PRO 7 -7.788 3.629 -6.453 54 2HB PRO 7 HBS PRO 7 -8.883 2.729 -7.279 55 1HG PRO 7 HGS PRO 7 -7.538 4.809 -8.262 56 2HG PRO 7 HGR PRO 7 -8.861 4.092 -8.980 57 1HD PRO 7 HDS PRO 7 -8.729 6.574 -7.747 58 2HD PRO 7 HDR PRO 7 -9.986 5.933 -8.608 59 H ILE 8 HN ILE 8 -7.758 5.259 -4.974 60 HA ILE 8 HA ILE 8 -7.650 3.938 -2.548 61 HB ILE 8 HB ILE 8 -6.768 6.784 -3.238 62 1HG1 ILE 8 HG1 ILE 8 -5.398 4.077 -3.381 63 2HG1 ILE 8 HG1 ILE 8 -5.797 5.184 -4.725 64 1HG2 ILE 8 HMG ILE 8 -6.910 6.415 -0.786 65 2HG2 ILE 8 HMG ILE 8 -5.758 5.064 -0.963 66 3HG2 ILE 8 HMG ILE 8 -5.257 6.724 -1.379 67 1HD1 ILE 8 HMD ILE 8 -4.057 6.375 -2.676 68 2HD1 ILE 8 HMD ILE 8 -3.347 4.966 -3.509 69 3HD1 ILE 8 HMD ILE 8 -3.914 6.369 -4.454 70 H GLY 9 HN GLY 9 -9.417 6.914 -3.361 71 1HA GLY 9 HAS GLY 9 -10.346 7.617 -0.864 72 2HA GLY 9 HAR GLY 9 -11.249 7.912 -2.374 73 H ARG 10 HN ARG 10 -11.665 5.182 -3.097 74 HA ARG 10 HA ARG 10 -14.006 4.756 -1.415 75 1HB ARG 10 HBR ARG 10 -14.716 3.198 -3.129 76 2HB ARG 10 HBS ARG 10 -14.207 4.753 -3.851 77 1HG ARG 10 HGS ARG 10 -12.206 3.809 -4.709 78 2HG ARG 10 HGR ARG 10 -12.400 2.324 -3.733 79 1HD ARG 10 HDS ARG 10 -12.965 1.947 -6.064 80 2HD ARG 10 HDR ARG 10 -14.382 1.736 -4.999 81 HE ARG 10 HE ARG 10 -13.952 4.278 -6.479 82 1HH1 ARG 10 HH1 ARG 10 -15.825 1.331 -5.996 83 2HH1 ARG 10 HH1 ARG 10 -17.254 1.990 -6.720 84 1HH2 ARG 10 HH2 ARG 10 -15.875 5.147 -7.303 85 2HH2 ARG 10 HH2 ARG 10 -17.282 4.149 -7.463 86 H ILE 11 HN ILE 11 -10.847 3.455 -1.687 87 HA ILE 11 HA ILE 11 -11.292 0.919 -0.395 88 HB ILE 11 HB ILE 11 -8.882 2.799 -0.460 89 1HG1 ILE 11 HG1 ILE 11 -9.564 0.280 -2.024 90 2HG1 ILE 11 HG1 ILE 11 -9.555 1.956 -2.643 91 1HG2 ILE 11 HMG ILE 11 -8.930 1.237 1.523 92 2HG2 ILE 11 HMG ILE 11 -8.825 -0.106 0.355 93 3HG2 ILE 11 HMG ILE 11 -7.517 1.103 0.445 94 1HD1 ILE 11 HMD ILE 11 -6.998 1.569 -1.575 95 2HD1 ILE 11 HMD ILE 11 -7.385 0.044 -2.418 96 3HD1 ILE 11 HMD ILE 11 -7.459 1.595 -3.298 97 H ILE 12 HN ILE 12 -10.434 4.186 0.796 98 HA ILE 12 HA ILE 12 -10.411 3.454 3.567 99 HB ILE 12 HB ILE 12 -10.935 6.238 2.436 100 1HG1 ILE 12 HG1 ILE 12 -9.107 5.463 1.151 101 2HG1 ILE 12 HG1 ILE 12 -8.421 6.506 2.428 102 1HG2 ILE 12 HMG ILE 12 -11.057 5.746 4.939 103 2HG2 ILE 12 HMG ILE 12 -9.287 5.537 4.855 104 3HG2 ILE 12 HMG ILE 12 -10.024 7.098 4.403 105 1HD1 ILE 12 HMD ILE 12 -8.554 3.546 2.885 106 2HD1 ILE 12 HMD ILE 12 -7.301 4.210 1.802 107 3HD1 ILE 12 HMD ILE 12 -7.391 4.753 3.499 108 H LYS 13 HN LYS 13 -12.867 4.776 1.369 109 HA LYS 13 HA LYS 13 -15.053 4.875 3.190 110 1HB LYS 13 HBR LYS 13 -14.697 4.665 0.244 111 2HB LYS 13 HBS LYS 13 -16.253 4.097 0.910 112 1HG LYS 13 HGR LYS 13 -16.296 6.387 2.149 113 2HG LYS 13 HGS LYS 13 -15.053 6.872 0.961 114 1HD LYS 13 HDS LYS 13 -16.490 6.574 -0.859 115 2HD LYS 13 HDR LYS 13 -17.624 5.637 0.074 116 1HE LYS 13 HES LYS 13 -17.087 8.551 0.613 117 2HE LYS 13 HER LYS 13 -18.366 7.943 -0.475 118 1HZ LYS 13 HZC LYS 13 -19.067 6.600 1.524 119 2HZ LYS 13 HZA LYS 13 -18.132 7.598 2.418 120 3HZ LYS 13 HZB LYS 13 -19.383 8.201 1.560 121 H ASP 14 HN ASP 14 -13.780 2.270 1.094 122 HA ASP 14 HA ASP 14 -15.573 0.343 1.733 123 1HB ASP 14 HBS ASP 14 -13.839 0.230 -0.027 124 2HB ASP 14 HBR ASP 14 -12.649 -0.192 1.238 125 H ALA 15 HN ALA 15 -12.673 1.200 3.554 126 HA ALA 15 HA ALA 15 -12.917 -0.526 5.731 127 1HB ALA 15 HMB ALA 15 -11.448 1.744 5.083 128 2HB ALA 15 HMB ALA 15 -12.351 2.206 6.547 129 3HB ALA 15 HMB ALA 15 -11.308 0.762 6.563 130 H GLY 16 HN GLY 16 -14.608 2.549 5.110 131 1HA GLY 16 HAR GLY 16 -16.922 2.607 6.054 132 2HA GLY 16 HAS GLY 16 -16.193 2.155 7.618 133 H ALA 17 HN ALA 17 -14.248 4.216 5.682 134 HA ALA 17 HA ALA 17 -14.440 6.545 7.255 135 1HB ALA 17 HMB ALA 17 -12.937 5.690 5.117 136 2HB ALA 17 HMB ALA 17 -13.901 7.015 4.415 137 3HB ALA 17 HMB ALA 17 -12.890 7.313 5.852 138 H GLU 18 HN GLU 18 -15.694 8.304 7.234 139 HA GLU 18 HA GLU 18 -18.161 8.136 5.557 140 1HB GLU 18 HBS GLU 18 -17.568 8.144 8.322 141 2HB GLU 18 HBR GLU 18 -18.386 9.583 8.044 142 1HG GLU 18 HGS GLU 18 -20.040 7.957 6.688 143 2HG GLU 18 HGR GLU 18 -19.341 6.697 7.740 144 H ARG 19 HN ARG 19 -15.593 10.147 6.850 145 HA ARG 19 HA ARG 19 -16.196 12.089 4.741 146 1HB ARG 19 HBS ARG 19 -15.524 13.206 7.453 147 2HB ARG 19 HBR ARG 19 -16.212 14.017 6.016 148 1HG ARG 19 HGS ARG 19 -18.361 13.288 6.464 149 2HG ARG 19 HGR ARG 19 -17.801 11.894 7.432 150 1HD ARG 19 HDS ARG 19 -17.517 13.129 9.308 151 2HD ARG 19 HDR ARG 19 -17.148 14.624 8.404 152 HE ARG 19 HE ARG 19 -19.669 13.900 9.448 153 1HH1 ARG 19 HH1 ARG 19 -18.177 15.419 6.637 154 2HH1 ARG 19 HH1 ARG 19 -19.650 16.178 6.130 155 1HH2 ARG 19 HH2 ARG 19 -21.603 14.802 8.681 156 2HH2 ARG 19 HH2 ARG 19 -21.588 15.832 7.288 157 H VAL 20 HN VAL 20 -14.411 12.152 3.617 158 HA VAL 20 HA VAL 20 -11.792 12.210 5.011 159 HB VAL 20 HB VAL 20 -12.598 10.331 2.780 160 1HG1 VAL 20 HMG VAL 20 -9.956 11.182 3.766 161 2HG1 VAL 20 HMG VAL 20 -10.183 9.420 3.648 162 3HG1 VAL 20 HMG VAL 20 -10.432 10.447 2.215 163 1HG2 VAL 20 HMG VAL 20 -12.650 10.077 5.665 164 2HG2 VAL 20 HMG VAL 20 -13.289 8.994 4.405 165 3HG2 VAL 20 HMG VAL 20 -11.590 8.857 4.918 166 H SER 21 HN SER 21 -10.496 13.704 4.290 167 HA SER 21 HA SER 21 -11.109 15.208 1.909 168 1HB SER 21 HBS SER 21 -9.408 16.661 2.528 169 2HB SER 21 HBR SER 21 -10.079 16.080 4.080 170 HG SER 21 HG SER 21 -7.680 16.277 3.738 171 H ASP 22 HN ASP 22 -9.967 15.400 0.027 172 HA ASP 22 HA ASP 22 -8.837 13.100 -1.045 173 1HB ASP 22 HBS ASP 22 -8.224 14.409 -2.967 174 2HB ASP 22 HBR ASP 22 -9.864 14.820 -2.387 175 H ASP 23 HN ASP 23 -7.417 15.388 1.034 176 HA ASP 23 HA ASP 23 -4.712 14.825 0.205 177 1HB ASP 23 HBR ASP 23 -5.783 16.380 2.560 178 2HB ASP 23 HBS ASP 23 -4.061 16.249 2.098 179 H ALA 24 HN ALA 24 -6.943 13.528 2.526 180 HA ALA 24 HA ALA 24 -5.037 11.822 3.916 181 1HB ALA 24 HMB ALA 24 -7.845 12.363 3.986 182 2HB ALA 24 HMB ALA 24 -7.599 10.615 3.739 183 3HB ALA 24 HMB ALA 24 -6.844 11.433 5.131 184 H ARG 25 HN ARG 25 -7.199 11.579 1.088 185 HA ARG 25 HA ARG 25 -6.645 8.988 0.343 186 1HB ARG 25 HBR ARG 25 -7.481 11.438 -1.144 187 2HB ARG 25 HBS ARG 25 -6.928 10.030 -2.096 188 1HG ARG 25 HGS ARG 25 -8.998 9.225 -1.947 189 2HG ARG 25 HGR ARG 25 -8.705 8.974 -0.202 190 1HD ARG 25 HDS ARG 25 -10.511 10.282 -0.006 191 2HD ARG 25 HDR ARG 25 -9.303 11.584 -0.193 192 HE ARG 25 HE ARG 25 -10.092 11.988 -2.367 193 1HH1 ARG 25 HH1 ARG 25 -11.910 9.432 -0.755 194 2HH1 ARG 25 HH1 ARG 25 -13.094 9.331 -2.014 195 1HH2 ARG 25 HH2 ARG 25 -11.585 11.734 -4.053 196 2HH2 ARG 25 HH2 ARG 25 -12.912 10.633 -3.881 197 H ILE 26 HN ILE 26 -4.846 11.931 -0.571 198 HA ILE 26 HA ILE 26 -3.070 10.545 -2.317 199 HB ILE 26 HB ILE 26 -3.739 13.014 -2.377 200 1HG1 ILE 26 HG1 ILE 26 -0.741 12.724 -2.517 201 2HG1 ILE 26 HG1 ILE 26 -1.788 11.718 -3.558 202 1HG2 ILE 26 HMG ILE 26 -2.621 13.102 0.171 203 2HG2 ILE 26 HMG ILE 26 -1.440 13.934 -0.875 204 3HG2 ILE 26 HMG ILE 26 -3.137 14.483 -0.835 205 1HD1 ILE 26 HMD ILE 26 -2.756 14.341 -3.830 206 2HD1 ILE 26 HMD ILE 26 -0.977 14.474 -3.870 207 3HD1 ILE 26 HMD ILE 26 -1.816 13.395 -5.016 208 H THR 27 HN THR 27 -2.930 11.451 1.088 209 HA THR 27 HA THR 27 -0.093 11.226 1.424 210 HB THR 27 HB THR 27 -2.402 11.072 3.440 211 HG1 THR 27 HG1 THR 27 -2.413 12.769 2.759 212 1HG2 THR 27 HMG THR 27 0.563 11.337 4.009 213 2HG2 THR 27 HMG THR 27 -0.753 11.504 5.199 214 3HG2 THR 27 HMG THR 27 -0.467 9.936 4.401 215 H LEU 28 HN LEU 28 -2.824 8.990 1.928 216 HA LEU 28 HA LEU 28 -1.261 6.681 2.610 217 1HB LEU 28 HBR LEU 28 -3.931 7.428 2.401 218 2HB LEU 28 HBS LEU 28 -3.721 6.226 1.099 219 HG LEU 28 HG LEU 28 -3.205 4.507 2.608 220 1HD1 LEU 28 HMD LEU 28 -3.005 6.636 4.763 221 2HD1 LEU 28 HMD LEU 28 -2.930 4.877 5.032 222 3HD1 LEU 28 HMD LEU 28 -1.662 5.687 4.079 223 1HD2 LEU 28 HMD LEU 28 -5.565 5.956 2.700 224 2HD2 LEU 28 HMD LEU 28 -5.308 4.312 3.337 225 3HD2 LEU 28 HMD LEU 28 -5.153 5.721 4.417 226 H ALA 29 HN ALA 29 -2.394 8.122 -0.438 227 HA ALA 29 HA ALA 29 -1.420 6.229 -2.208 228 1HB ALA 29 HMB ALA 29 -2.756 8.455 -2.546 229 2HB ALA 29 HMB ALA 29 -1.143 9.140 -2.862 230 3HB ALA 29 HMB ALA 29 -1.746 7.790 -3.856 231 H LYS 30 HN LYS 30 0.310 9.071 -0.891 232 HA LYS 30 HA LYS 30 2.784 8.378 -2.113 233 1HB LYS 30 HBS LYS 30 1.839 10.624 -0.992 234 2HB LYS 30 HBR LYS 30 2.792 10.003 0.387 235 1HG LYS 30 HGR LYS 30 4.819 10.127 -0.808 236 2HG LYS 30 HGS LYS 30 3.988 10.238 -2.385 237 1HD LYS 30 HDS LYS 30 4.980 12.361 -1.738 238 2HD LYS 30 HDR LYS 30 3.254 12.432 -1.964 239 1HE LYS 30 HES LYS 30 3.491 11.879 0.734 240 2HE LYS 30 HER LYS 30 4.830 13.010 0.388 241 1HZ LYS 30 HZB LYS 30 3.059 14.334 -0.797 242 2HZ LYS 30 HZC LYS 30 1.962 13.421 -0.003 243 3HZ LYS 30 HZA LYS 30 3.020 14.340 0.836 244 H ILE 31 HN ILE 31 1.250 7.473 0.889 245 HA ILE 31 HA ILE 31 3.571 6.412 2.252 246 HB ILE 31 HB ILE 31 0.558 6.001 2.471 247 1HG1 ILE 31 HG1 ILE 31 2.383 7.158 4.577 248 2HG1 ILE 31 HG1 ILE 31 1.892 8.137 3.165 249 1HG2 ILE 31 HMG ILE 31 2.439 4.119 3.345 250 2HG2 ILE 31 HMG ILE 31 1.967 5.039 4.798 251 3HG2 ILE 31 HMG ILE 31 0.719 4.244 3.801 252 1HD1 ILE 31 HMD ILE 31 0.018 6.827 5.161 253 2HD1 ILE 31 HMD ILE 31 0.452 8.556 5.104 254 3HD1 ILE 31 HMD ILE 31 -0.464 7.820 3.761 255 H LEU 32 HN LEU 32 0.800 4.607 0.916 256 HA LEU 32 HA LEU 32 2.062 2.212 0.881 257 1HB LEU 32 HBR LEU 32 -0.298 3.401 -0.495 258 2HB LEU 32 HBS LEU 32 0.241 1.785 -1.035 259 HG LEU 32 HG LEU 32 0.044 1.042 1.366 260 1HD1 LEU 32 HMD LEU 32 -1.451 3.676 1.581 261 2HD1 LEU 32 HMD LEU 32 -1.450 2.375 2.798 262 3HD1 LEU 32 HMD LEU 32 0.058 3.248 2.427 263 1HD2 LEU 32 HMD LEU 32 -2.329 2.025 -0.237 264 2HD2 LEU 32 HMD LEU 32 -1.589 0.405 -0.245 265 3HD2 LEU 32 HMD LEU 32 -2.481 0.972 1.191 266 H GLU 33 HN GLU 33 2.208 4.667 -1.620 267 HA GLU 33 HA GLU 33 3.109 2.875 -3.683 268 1HB GLU 33 HBS GLU 33 1.779 4.835 -3.987 269 2HB GLU 33 HBR GLU 33 2.941 5.874 -3.365 270 1HG GLU 33 HGS GLU 33 3.851 4.145 -5.598 271 2HG GLU 33 HGR GLU 33 2.556 5.268 -6.092 272 H GLU 34 HN GLU 34 4.677 5.235 -1.529 273 HA GLU 34 HA GLU 34 7.391 4.806 -2.383 274 1HB GLU 34 HBS GLU 34 6.717 6.609 -1.048 275 2HB GLU 34 HBR GLU 34 5.995 5.669 0.140 276 1HG GLU 34 HGS GLU 34 8.494 4.664 0.306 277 2HG GLU 34 HGR GLU 34 8.944 6.248 -0.379 278 H MET 35 HN MET 35 5.255 3.261 0.035 279 HA MET 35 HA MET 35 6.986 1.250 0.881 280 1HB MET 35 HBR MET 35 3.974 1.326 0.625 281 2HB MET 35 HBS MET 35 4.854 -0.065 1.320 282 1HG MET 35 HGS MET 35 5.812 1.342 3.061 283 2HG MET 35 HGR MET 35 5.153 2.804 2.287 284 1HE MET 35 HME MET 35 4.616 -0.532 3.741 285 2HE MET 35 HME MET 35 3.159 -0.419 4.757 286 3HE MET 35 HME MET 35 3.011 -0.846 3.034 287 H GLY 36 HN GLY 36 4.889 1.364 -1.979 288 1HA GLY 36 HAR GLY 36 4.996 -1.404 -2.537 289 2HA GLY 36 HAS GLY 36 4.483 -0.128 -3.676 290 H ARG 37 HN ARG 37 6.906 1.343 -3.749 291 HA ARG 37 HA ARG 37 8.710 -0.165 -5.420 292 1HB ARG 37 HBS ARG 37 8.589 2.264 -5.553 293 2HB ARG 37 HBR ARG 37 9.113 2.403 -3.850 294 1HG ARG 37 HGS ARG 37 11.169 0.963 -4.841 295 2HG ARG 37 HGR ARG 37 10.691 1.859 -6.312 296 1HD ARG 37 HDS ARG 37 10.818 3.954 -5.047 297 2HD ARG 37 HDR ARG 37 11.362 3.037 -3.614 298 HE ARG 37 HE ARG 37 12.931 3.708 -5.981 299 1HH1 ARG 37 HH1 ARG 37 12.709 1.905 -2.960 300 2HH1 ARG 37 HH1 ARG 37 14.377 1.440 -2.988 301 1HH2 ARG 37 HH2 ARG 37 15.074 2.972 -6.051 302 2HH2 ARG 37 HH2 ARG 37 15.717 2.045 -4.735 303 H ASP 38 HN ASP 38 8.364 0.475 -1.974 304 HA ASP 38 HA ASP 38 10.922 -0.395 -1.259 305 1HB ASP 38 HBR ASP 38 8.577 0.568 0.066 306 2HB ASP 38 HBS ASP 38 9.275 -0.801 0.977 307 H ILE 39 HN ILE 39 7.837 -2.181 -1.207 308 HA ILE 39 HA ILE 39 8.946 -4.637 -0.204 309 HB ILE 39 HB ILE 39 6.475 -4.300 -1.969 310 1HG1 ILE 39 HG1 ILE 39 6.497 -4.129 1.061 311 2HG1 ILE 39 HG1 ILE 39 6.609 -2.692 0.005 312 1HG2 ILE 39 HMG ILE 39 7.274 -6.380 0.073 313 2HG2 ILE 39 HMG ILE 39 5.633 -6.225 -0.607 314 3HG2 ILE 39 HMG ILE 39 7.010 -6.599 -1.677 315 1HD1 ILE 39 HMD ILE 39 4.384 -4.592 -0.527 316 2HD1 ILE 39 HMD ILE 39 4.290 -3.627 0.970 317 3HD1 ILE 39 HMD ILE 39 4.424 -2.810 -0.611 318 H ALA 40 HN ALA 40 8.607 -3.153 -3.381 319 HA ALA 40 HA ALA 40 8.766 -5.513 -4.945 320 1HB ALA 40 HMB ALA 40 8.743 -2.636 -5.359 321 2HB ALA 40 HMB ALA 40 9.843 -3.466 -6.488 322 3HB ALA 40 HMB ALA 40 8.133 -3.957 -6.388 323 H SER 41 HN SER 41 11.275 -3.057 -4.210 324 HA SER 41 HA SER 41 13.417 -4.526 -5.446 325 1HB SER 41 HBS SER 41 14.873 -2.990 -4.105 326 2HB SER 41 HBR SER 41 13.713 -2.189 -5.204 327 HG SER 41 HG SER 41 13.960 -2.324 -2.377 328 H GLU 42 HN GLU 42 11.948 -4.449 -2.246 329 HA GLU 42 HA GLU 42 13.741 -6.202 -0.905 330 1HB GLU 42 HBR GLU 42 10.865 -5.415 -0.730 331 2HB GLU 42 HBS GLU 42 11.320 -6.845 0.019 332 1HG GLU 42 HGR GLU 42 11.437 -4.799 1.585 333 2HG GLU 42 HGS GLU 42 12.820 -5.925 1.513 334 H ALA 43 HN ALA 43 10.823 -6.824 -2.886 335 HA ALA 43 HA ALA 43 11.117 -9.666 -2.804 336 1HB ALA 43 HMB ALA 43 9.560 -7.860 -4.674 337 2HB ALA 43 HMB ALA 43 9.408 -9.633 -4.586 338 3HB ALA 43 HMB ALA 43 8.973 -8.631 -3.178 339 H ILE 44 HN ILE 44 12.656 -7.196 -4.626 340 HA ILE 44 HA ILE 44 13.070 -8.775 -6.943 341 HB ILE 44 HB ILE 44 13.077 -6.101 -6.317 342 1HG1 ILE 44 HG1 ILE 44 14.286 -6.384 -8.891 343 2HG1 ILE 44 HG1 ILE 44 13.247 -7.808 -8.598 344 1HG2 ILE 44 HMG ILE 44 15.385 -6.032 -5.526 345 2HG2 ILE 44 HMG ILE 44 15.950 -6.648 -7.101 346 3HG2 ILE 44 HMG ILE 44 15.134 -5.065 -7.004 347 1HD1 ILE 44 HMD ILE 44 11.724 -5.653 -7.710 348 2HD1 ILE 44 HMD ILE 44 12.518 -5.051 -9.190 349 3HD1 ILE 44 HMD ILE 44 11.529 -6.536 -9.248 350 H LYS 45 HN LYS 45 15.475 -7.553 -4.569 351 HA LYS 45 HA LYS 45 17.559 -9.350 -5.201 352 1HB LYS 45 HBS LYS 45 16.998 -8.575 -2.353 353 2HB LYS 45 HBR LYS 45 18.555 -8.743 -3.215 354 1HG LYS 45 HGR LYS 45 17.799 -6.685 -4.581 355 2HG LYS 45 HGS LYS 45 16.570 -6.457 -3.303 356 1HD LYS 45 HDS LYS 45 18.059 -5.825 -1.746 357 2HD LYS 45 HDR LYS 45 19.300 -6.897 -2.336 358 1HE LYS 45 HES LYS 45 19.864 -4.499 -2.571 359 2HE LYS 45 HER LYS 45 19.904 -5.431 -4.095 360 1HZ LYS 45 HZA LYS 45 17.384 -4.498 -3.951 361 2HZ LYS 45 HZB LYS 45 18.251 -3.244 -3.367 362 3HZ LYS 45 HZC LYS 45 18.586 -3.849 -4.846 363 H LEU 46 HN LEU 46 14.664 -9.712 -3.194 364 HA LEU 46 HA LEU 46 15.134 -12.236 -2.131 365 1HB LEU 46 HBS LEU 46 12.751 -10.622 -2.929 366 2HB LEU 46 HBR LEU 46 12.502 -12.343 -2.518 367 HG LEU 46 HG LEU 46 13.753 -10.267 -0.702 368 1HD1 LEU 46 HMD LEU 46 10.967 -11.371 -0.996 369 2HD1 LEU 46 HMD LEU 46 11.574 -10.848 0.596 370 3HD1 LEU 46 HMD LEU 46 11.499 -9.688 -0.754 371 1HD2 LEU 46 HMD LEU 46 13.300 -13.217 -0.614 372 2HD2 LEU 46 HMD LEU 46 14.632 -12.239 0.051 373 3HD2 LEU 46 HMD LEU 46 13.060 -12.291 0.889 374 H ALA 47 HN ALA 47 13.630 -11.441 -5.280 375 HA ALA 47 HA ALA 47 13.217 -14.057 -6.135 376 1HB ALA 47 HMB ALA 47 12.557 -11.696 -7.120 377 2HB ALA 47 HMB ALA 47 13.989 -11.981 -8.141 378 3HB ALA 47 HMB ALA 47 12.644 -13.150 -8.147 379 H ARG 48 HN ARG 48 16.108 -12.029 -6.368 380 HA ARG 48 HA ARG 48 17.440 -13.573 -8.340 381 1HB ARG 48 HBR ARG 48 18.176 -11.389 -6.455 382 2HB ARG 48 HBS ARG 48 19.507 -12.396 -7.092 383 1HG ARG 48 HGS ARG 48 19.492 -10.804 -8.712 384 2HG ARG 48 HGR ARG 48 18.242 -11.881 -9.398 385 1HD ARG 48 HDS ARG 48 16.653 -10.364 -9.143 386 2HD ARG 48 HDR ARG 48 17.165 -9.990 -7.474 387 HE ARG 48 HE ARG 48 17.846 -8.531 -9.883 388 1HH1 ARG 48 HH1 ARG 48 19.148 -9.464 -6.742 389 2HH1 ARG 48 HH1 ARG 48 20.012 -7.978 -6.537 390 1HH2 ARG 48 HH2 ARG 48 18.887 -6.550 -9.521 391 2HH2 ARG 48 HH2 ARG 48 19.867 -6.329 -8.110 392 H HIS 49 HN HIS 49 17.694 -13.516 -4.780 393 HA HIS 49 HA HIS 49 19.557 -15.671 -4.530 394 1HB HIS 49 HBS HIS 49 17.400 -14.688 -2.614 395 2HB HIS 49 HBR HIS 49 18.574 -15.983 -2.238 396 HD1 HIS 49 HD1 HIS 49 19.374 -14.219 -0.271 397 HD2 HIS 49 HD2 HIS 49 20.142 -13.126 -4.216 398 HE1 HIS 49 HE1 HIS 49 21.199 -12.504 -0.185 399 HE2 HIS 49 HE2 HIS 49 21.683 -11.853 -2.571 400 H ALA 50 HN ALA 50 16.092 -15.465 -5.073 401 HA ALA 50 HA ALA 50 15.464 -18.260 -4.800 402 1HB ALA 50 HMB ALA 50 14.030 -16.000 -5.254 403 2HB ALA 50 HMB ALA 50 14.092 -16.694 -6.894 404 3HB ALA 50 HMB ALA 50 13.436 -17.655 -5.545 405 H GLY 51 HN GLY 51 16.574 -16.193 -7.491 406 1HA GLY 51 HAR GLY 51 18.191 -17.340 -8.988 407 2HA GLY 51 HAS GLY 51 16.994 -18.652 -9.142 408 H ARG 52 HN ARG 52 15.753 -15.436 -8.902 409 HA ARG 52 HA ARG 52 14.676 -14.046 -10.363 410 1HB ARG 52 HBR ARG 52 15.972 -13.310 -12.196 411 2HB ARG 52 HBS ARG 52 17.093 -13.716 -10.867 412 1HG ARG 52 HGS ARG 52 18.096 -15.382 -12.034 413 2HG ARG 52 HGR ARG 52 16.593 -15.853 -12.877 414 1HD ARG 52 HDS ARG 52 16.770 -13.944 -14.333 415 2HD ARG 52 HDR ARG 52 18.212 -13.371 -13.450 416 HE ARG 52 HE ARG 52 18.955 -15.864 -14.246 417 1HH1 ARG 52 HH1 ARG 52 17.821 -12.963 -15.898 418 2HH1 ARG 52 HH1 ARG 52 18.492 -13.438 -17.422 419 1HH2 ARG 52 HH2 ARG 52 19.703 -16.512 -16.285 420 2HH2 ARG 52 HH2 ARG 52 19.559 -15.445 -17.641 421 H LYS 53 HN LYS 53 13.820 -16.858 -10.415 422 HA LYS 53 HA LYS 53 12.792 -17.120 -13.185 423 1HB LYS 53 HBR LYS 53 13.367 -19.003 -11.197 424 2HB LYS 53 HBS LYS 53 11.585 -18.873 -11.202 425 1HG LYS 53 HGR LYS 53 12.411 -18.981 -13.920 426 2HG LYS 53 HGS LYS 53 13.321 -20.248 -13.050 427 1HD LYS 53 HDS LYS 53 10.434 -20.058 -12.437 428 2HD LYS 53 HDR LYS 53 10.836 -20.528 -14.066 429 1HE LYS 53 HES LYS 53 12.533 -22.141 -12.759 430 2HE LYS 53 HER LYS 53 11.241 -21.974 -11.536 431 1HZ LYS 53 HZA LYS 53 9.674 -22.668 -13.203 432 2HZ LYS 53 HZB LYS 53 10.851 -22.815 -14.327 433 3HZ LYS 53 HZC LYS 53 10.836 -23.802 -13.025 434 H THR 54 HN THR 54 11.659 -15.138 -13.181 435 HA THR 54 HA THR 54 9.874 -13.747 -12.889 436 HB THR 54 HB THR 54 8.456 -16.189 -11.695 437 HG1 THR 54 HG1 THR 54 8.503 -16.998 -13.306 438 1HG2 THR 54 HMG THR 54 7.433 -13.833 -13.299 439 2HG2 THR 54 HMG THR 54 6.474 -15.271 -12.867 440 3HG2 THR 54 HMG THR 54 7.096 -14.198 -11.588 441 H ILE 55 HN ILE 55 8.277 -12.857 -11.274 442 HA ILE 55 HA ILE 55 9.267 -13.159 -8.479 443 HB ILE 55 HB ILE 55 7.659 -10.819 -9.610 444 1HG1 ILE 55 HG1 ILE 55 9.978 -11.144 -10.602 445 2HG1 ILE 55 HG1 ILE 55 9.632 -9.556 -9.862 446 1HG2 ILE 55 HMG ILE 55 7.854 -11.547 -7.023 447 2HG2 ILE 55 HMG ILE 55 9.291 -10.501 -7.166 448 3HG2 ILE 55 HMG ILE 55 7.678 -9.861 -7.578 449 1HD1 ILE 55 HMD ILE 55 10.768 -11.271 -7.869 450 2HD1 ILE 55 HMD ILE 55 11.789 -11.321 -9.331 451 3HD1 ILE 55 HMD ILE 55 11.415 -9.759 -8.557 452 H LYS 56 HN LYS 56 7.856 -13.793 -6.956 453 HA LYS 56 HA LYS 56 5.199 -14.721 -7.952 454 1HB LYS 56 HBS LYS 56 5.692 -16.677 -6.315 455 2HB LYS 56 HBR LYS 56 6.403 -16.683 -7.954 456 1HG LYS 56 HGR LYS 56 8.531 -16.502 -7.178 457 2HG LYS 56 HGS LYS 56 8.062 -15.428 -5.829 458 1HD LYS 56 HDS LYS 56 8.384 -17.127 -4.477 459 2HD LYS 56 HDR LYS 56 6.888 -17.763 -5.104 460 1HE LYS 56 HES LYS 56 8.562 -18.689 -6.997 461 2HE LYS 56 HER LYS 56 9.651 -18.639 -5.582 462 1HZ LYS 56 HZA LYS 56 7.594 -19.768 -4.489 463 2HZ LYS 56 HZB LYS 56 7.283 -20.246 -6.018 464 3HZ LYS 56 HZC LYS 56 8.700 -20.646 -5.311 465 H ALA 57 HN ALA 57 3.675 -15.258 -6.258 466 HA ALA 57 HA ALA 57 3.290 -13.020 -4.594 467 1HB ALA 57 HMB ALA 57 1.585 -14.663 -5.569 468 2HB ALA 57 HMB ALA 57 1.953 -15.688 -4.158 469 3HB ALA 57 HMB ALA 57 1.303 -14.046 -3.921 470 H GLU 58 HN GLU 58 5.112 -15.891 -4.103 471 HA GLU 58 HA GLU 58 5.246 -15.695 -1.212 472 1HB GLU 58 HBR GLU 58 6.566 -17.199 -3.425 473 2HB GLU 58 HBS GLU 58 7.437 -17.003 -2.004 474 1HG GLU 58 HGS GLU 58 6.091 -19.126 -2.119 475 2HG GLU 58 HGR GLU 58 5.929 -18.208 -0.598 476 H ASP 59 HN ASP 59 6.748 -14.123 -3.909 477 HA ASP 59 HA ASP 59 9.172 -13.423 -2.419 478 1HB ASP 59 HBS ASP 59 8.346 -13.331 -5.257 479 2HB ASP 59 HBR ASP 59 9.477 -12.067 -4.693 480 H ILE 60 HN ILE 60 6.179 -11.968 -3.556 481 HA ILE 60 HA ILE 60 6.675 -9.372 -2.339 482 HB ILE 60 HB ILE 60 4.357 -10.841 -3.577 483 1HG1 ILE 60 HG1 ILE 60 4.180 -8.817 -4.883 484 2HG1 ILE 60 HG1 ILE 60 5.358 -7.985 -3.825 485 1HG2 ILE 60 HMG ILE 60 3.957 -8.593 -1.606 486 2HG2 ILE 60 HMG ILE 60 2.837 -8.909 -2.956 487 3HG2 ILE 60 HMG ILE 60 3.112 -10.160 -1.715 488 1HD1 ILE 60 HMD ILE 60 7.058 -9.706 -4.540 489 2HD1 ILE 60 HMD ILE 60 5.875 -10.267 -5.752 490 3HD1 ILE 60 HMD ILE 60 6.505 -8.600 -5.826 491 H GLU 61 HN GLU 61 5.092 -12.446 -1.419 492 HA GLU 61 HA GLU 61 4.220 -11.648 1.133 493 1HB GLU 61 HBR GLU 61 4.938 -14.248 -0.186 494 2HB GLU 61 HBS GLU 61 4.685 -14.212 1.473 495 1HG GLU 61 HGS GLU 61 2.581 -12.796 0.029 496 2HG GLU 61 HGR GLU 61 2.592 -14.546 -0.320 497 H LEU 62 HN LEU 62 7.206 -13.401 0.198 498 HA LEU 62 HA LEU 62 8.515 -13.223 2.665 499 1HB LEU 62 HBR LEU 62 9.111 -14.644 0.749 500 2HB LEU 62 HBS LEU 62 9.680 -13.200 -0.136 501 HG LEU 62 HG LEU 62 11.454 -12.882 1.512 502 1HD1 LEU 62 HMD LEU 62 10.001 -15.172 2.801 503 2HD1 LEU 62 HMD LEU 62 11.759 -14.999 3.041 504 3HD1 LEU 62 HMD LEU 62 10.660 -13.684 3.527 505 1HD2 LEU 62 HMD LEU 62 11.584 -14.511 -0.512 506 2HD2 LEU 62 HMD LEU 62 12.853 -14.575 0.737 507 3HD2 LEU 62 HMD LEU 62 11.550 -15.788 0.729 508 H ALA 63 HN ALA 63 8.684 -10.999 -0.135 509 HA ALA 63 HA ALA 63 10.465 -9.186 0.915 510 1HB ALA 63 HMB ALA 63 8.256 -9.017 -1.090 511 2HB ALA 63 HMB ALA 63 9.030 -7.507 -0.545 512 3HB ALA 63 HMB ALA 63 10.014 -8.795 -1.285 513 H VAL 64 HN VAL 64 6.896 -9.037 1.161 514 HA VAL 64 HA VAL 64 7.038 -6.600 2.525 515 HB VAL 64 HB VAL 64 5.218 -8.029 1.097 516 1HG1 VAL 64 HMG VAL 64 4.204 -8.038 3.933 517 2HG1 VAL 64 HMG VAL 64 3.090 -7.867 2.555 518 3HG1 VAL 64 HMG VAL 64 4.133 -9.304 2.684 519 1HG2 VAL 64 HMG VAL 64 5.599 -5.416 1.945 520 2HG2 VAL 64 HMG VAL 64 4.443 -6.011 0.730 521 3HG2 VAL 64 HMG VAL 64 3.924 -5.789 2.419 522 H ARG 65 HN ARG 65 5.963 -9.774 3.807 523 HA ARG 65 HA ARG 65 5.831 -9.086 6.467 524 1HB ARG 65 HBS ARG 65 5.101 -11.246 5.548 525 2HB ARG 65 HBR ARG 65 6.810 -11.739 5.361 526 1HG ARG 65 HGS ARG 65 6.759 -12.576 7.420 527 2HG ARG 65 HGR ARG 65 6.485 -10.929 8.057 528 1HD ARG 65 HDS ARG 65 4.112 -12.233 6.922 529 2HD ARG 65 HDR ARG 65 4.799 -13.035 8.363 530 HE ARG 65 HE ARG 65 3.341 -10.572 8.306 531 1HH1 ARG 65 HH1 ARG 65 5.814 -12.390 10.041 532 2HH1 ARG 65 HH1 ARG 65 5.713 -11.391 11.452 533 1HH2 ARG 65 HH2 ARG 65 3.328 -9.212 10.119 534 2HH2 ARG 65 HH2 ARG 65 4.304 -9.594 11.498 535 H ARG 66 HN ARG 66 8.698 -9.833 4.561 536 HA ARG 66 HA ARG 66 10.504 -9.853 6.876 537 1HB ARG 66 HBR ARG 66 10.776 -11.038 4.528 538 2HB ARG 66 HBS ARG 66 11.441 -9.448 4.056 539 1HG ARG 66 HGS ARG 66 12.451 -11.270 6.267 540 2HG ARG 66 HGR ARG 66 13.234 -10.961 4.692 541 1HD ARG 66 HDS ARG 66 12.845 -9.080 7.007 542 2HD ARG 66 HDR ARG 66 14.367 -9.643 6.264 543 HE ARG 66 HE ARG 66 12.634 -8.161 4.456 544 1HH1 ARG 66 HH1 ARG 66 15.000 -7.780 7.040 545 2HH1 ARG 66 HH1 ARG 66 15.655 -6.322 6.372 546 1HH2 ARG 66 HH2 ARG 66 13.609 -6.331 3.540 547 2HH2 ARG 66 HH2 ARG 66 14.869 -5.502 4.392 548 H PHE 67 HN PHE 67 9.043 -7.628 4.644 549 HA PHE 67 HA PHE 67 10.978 -5.598 4.719 550 1HB PHE 67 HBR PHE 67 9.090 -5.659 3.072 551 2HB PHE 67 HBS PHE 67 7.981 -5.155 4.381 552 HD1 PHE 67 HD1 PHE 67 11.375 -4.188 3.279 553 HD2 PHE 67 HD2 PHE 67 7.408 -2.848 4.080 554 HE1 PHE 67 HE1 PHE 67 12.059 -1.897 2.731 555 HE2 PHE 67 HE2 PHE 67 8.077 -0.530 3.532 556 HZ PHE 67 HZ PHE 67 10.450 -0.046 3.001 557 H LYS 68 HN LYS 68 7.881 -5.748 6.521 558 HA LYS 68 HA LYS 68 7.160 -4.664 8.417 559 1HB LYS 68 HBR LYS 68 9.527 -5.991 8.949 560 2HB LYS 68 HBS LYS 68 9.832 -4.347 9.581 561 1HG LYS 68 HGR LYS 68 7.247 -5.003 10.471 562 2HG LYS 68 HGS LYS 68 8.207 -6.495 10.686 563 1HD LYS 68 HDS LYS 68 9.449 -5.650 12.324 564 2HD LYS 68 HDR LYS 68 9.620 -4.107 11.534 565 1HE LYS 68 HES LYS 68 7.224 -5.003 13.132 566 2HE LYS 68 HER LYS 68 8.487 -3.843 13.633 567 1HZ LYS 68 HZA LYS 68 6.913 -3.398 11.213 568 2HZ LYS 68 HZB LYS 68 6.337 -2.950 12.674 569 3HZ LYS 68 HZC LYS 68 7.733 -2.312 12.116 570 H LYS 69 HN LYS 69 8.251 -2.869 10.131 571 HA LYS 69 HA LYS 69 8.831 -0.685 10.502 572 1HB LYS 69 HBS LYS 69 10.958 -1.500 9.576 573 2HB LYS 69 HBR LYS 69 10.399 -1.078 7.932 574 1HG LYS 69 HGR LYS 69 10.206 1.313 8.699 575 2HG LYS 69 HGS LYS 69 10.975 0.822 10.236 576 1HD LYS 69 HDS LYS 69 12.809 -0.167 8.637 577 2HD LYS 69 HDR LYS 69 12.129 0.953 7.488 578 1HE LYS 69 HES LYS 69 14.049 1.905 8.663 579 2HE LYS 69 HER LYS 69 12.542 2.825 8.930 580 1HZ LYS 69 HZB LYS 69 13.019 0.784 10.861 581 2HZ LYS 69 HZC LYS 69 14.166 1.946 10.858 582 3HZ LYS 69 HZA LYS 69 12.598 2.348 11.075 583 1H MET 1 HNB MET 1 -10.563 -2.033 -8.000 584 2H MET 1 HNC MET 1 -12.070 -1.597 -7.544 585 3H MET 1 HN MET 1 -10.879 -0.481 -7.599 586 HA MET 1 HA MET 1 -11.095 -0.885 -5.386 587 1HB MET 1 HBS MET 1 -12.562 -2.834 -5.661 588 2HB MET 1 HBR MET 1 -11.151 -3.835 -6.106 589 1HG MET 1 HGS MET 1 -10.140 -3.328 -3.869 590 2HG MET 1 HGR MET 1 -11.616 -2.425 -3.449 591 1HE MET 1 HME MET 1 -12.524 -3.361 -1.801 592 2HE MET 1 HME MET 1 -13.990 -4.151 -2.431 593 3HE MET 1 HME MET 1 -12.857 -5.064 -1.402 594 H GLU 2 HN GLU 2 -9.226 -3.333 -7.218 595 HA GLU 2 HA GLU 2 -7.049 -3.200 -5.348 596 1HB GLU 2 HBR GLU 2 -6.808 -4.414 -8.061 597 2HB GLU 2 HBS GLU 2 -6.173 -4.895 -6.584 598 1HG GLU 2 HGS GLU 2 -8.293 -5.593 -5.685 599 2HG GLU 2 HGR GLU 2 -9.157 -5.132 -7.177 600 H LEU 3 HN LEU 3 -5.050 -2.338 -5.540 601 HA LEU 3 HA LEU 3 -4.396 -0.229 -7.362 602 1HB LEU 3 HBR LEU 3 -2.377 -1.989 -6.015 603 2HB LEU 3 HBS LEU 3 -2.355 -0.223 -6.286 604 HG LEU 3 HG LEU 3 -3.988 -1.726 -4.222 605 1HD1 LEU 3 HMD LEU 3 -1.421 -1.306 -3.969 606 2HD1 LEU 3 HMD LEU 3 -1.911 0.385 -3.695 607 3HD1 LEU 3 HMD LEU 3 -2.520 -0.904 -2.626 608 1HD2 LEU 3 HMD LEU 3 -4.164 0.955 -5.417 609 2HD2 LEU 3 HMD LEU 3 -5.357 0.040 -4.460 610 3HD2 LEU 3 HMD LEU 3 -4.071 0.960 -3.638 611 HA PRO 4 HA PRO 4 -4.313 -3.102 -10.727 612 1HB PRO 4 HBR PRO 4 -3.893 -1.270 -12.624 613 2HB PRO 4 HBS PRO 4 -5.376 -1.744 -12.101 614 1HG PRO 4 HGS PRO 4 -4.019 0.640 -11.549 615 2HG PRO 4 HGR PRO 4 -5.661 0.340 -11.492 616 1HD PRO 4 HDS PRO 4 -4.068 0.542 -9.350 617 2HD PRO 4 HDR PRO 4 -5.579 -0.131 -9.348 618 H ILE 5 HN ILE 5 -2.929 -4.320 -11.806 619 HA ILE 5 HA ILE 5 -0.406 -4.266 -10.703 620 HB ILE 5 HB ILE 5 0.137 -6.157 -12.146 621 1HG1 ILE 5 HG1 ILE 5 -0.511 -5.289 -14.294 622 2HG1 ILE 5 HG1 ILE 5 -1.323 -6.855 -14.019 623 1HG2 ILE 5 HMG ILE 5 -2.458 -5.971 -10.797 624 2HG2 ILE 5 HMG ILE 5 -2.342 -7.291 -11.992 625 3HG2 ILE 5 HMG ILE 5 -1.158 -7.185 -10.661 626 1HD1 ILE 5 HMD ILE 5 -3.336 -5.421 -13.247 627 2HD1 ILE 5 HMD ILE 5 -2.500 -4.084 -14.080 628 3HD1 ILE 5 HMD ILE 5 -2.979 -5.541 -14.990 629 H ALA 6 HN ALA 6 -1.524 -2.509 -13.416 630 HA ALA 6 HA ALA 6 0.900 -2.471 -14.942 631 1HB ALA 6 HMB ALA 6 -1.749 -1.117 -15.005 632 2HB ALA 6 HMB ALA 6 -0.397 -0.305 -15.834 633 3HB ALA 6 HMB ALA 6 -0.854 -1.966 -16.291 634 HA PRO 7 HA PRO 7 1.388 1.968 -13.034 635 1HB PRO 7 HBR PRO 7 -0.072 2.336 -10.803 636 2HB PRO 7 HBS PRO 7 -0.374 3.036 -12.258 637 1HG PRO 7 HGS PRO 7 -1.737 0.935 -11.033 638 2HG PRO 7 HGR PRO 7 -2.267 1.948 -12.249 639 1HD PRO 7 HDS PRO 7 -1.514 -0.599 -12.594 640 2HD PRO 7 HDR PRO 7 -1.668 0.518 -13.804 641 H ILE 8 HN ILE 8 0.545 -0.330 -10.562 642 HA ILE 8 HA ILE 8 2.920 -0.026 -9.012 643 HB ILE 8 HB ILE 8 1.036 -2.403 -9.396 644 1HG1 ILE 8 HG1 ILE 8 1.167 -0.141 -7.375 645 2HG1 ILE 8 HG1 ILE 8 -0.135 -0.506 -8.543 646 1HG2 ILE 8 HMG ILE 8 3.241 -3.125 -8.552 647 2HG2 ILE 8 HMG ILE 8 3.060 -1.994 -7.185 648 3HG2 ILE 8 HMG ILE 8 1.925 -3.357 -7.370 649 1HD1 ILE 8 HMD ILE 8 0.556 -2.567 -6.486 650 2HD1 ILE 8 HMD ILE 8 -0.356 -1.119 -5.980 651 3HD1 ILE 8 HMD ILE 8 -1.009 -2.184 -7.253 652 H GLY 9 HN GLY 9 2.101 -1.909 -11.893 653 1HA GLY 9 HAR GLY 9 4.257 -3.605 -12.014 654 2HA GLY 9 HAS GLY 9 3.429 -2.967 -13.459 655 H ARG 10 HN ARG 10 4.128 -0.183 -12.875 656 HA ARG 10 HA ARG 10 6.879 -0.183 -13.841 657 1HB ARG 10 HBR ARG 10 4.782 1.960 -13.443 658 2HB ARG 10 HBS ARG 10 6.473 2.339 -13.878 659 1HG ARG 10 HGS ARG 10 4.589 0.585 -15.492 660 2HG ARG 10 HGR ARG 10 4.962 2.298 -15.836 661 1HD ARG 10 HDS ARG 10 6.853 -0.051 -15.861 662 2HD ARG 10 HDR ARG 10 6.295 0.921 -17.251 663 HE ARG 10 HE ARG 10 8.405 1.594 -15.375 664 1HH1 ARG 10 HH1 ARG 10 5.894 3.036 -17.387 665 2HH1 ARG 10 HH1 ARG 10 6.841 4.438 -17.754 666 1HH2 ARG 10 HH2 ARG 10 9.661 3.381 -15.982 667 2HH2 ARG 10 HH2 ARG 10 8.973 4.635 -16.958 668 H ILE 11 HN ILE 11 5.121 0.616 -10.901 669 HA ILE 11 HA ILE 11 7.223 1.837 -9.441 670 HB ILE 11 HB ILE 11 4.913 0.056 -8.523 671 1HG1 ILE 11 HG1 ILE 11 5.251 3.064 -8.793 672 2HG1 ILE 11 HG1 ILE 11 4.131 1.999 -9.690 673 1HG2 ILE 11 HMG ILE 11 7.121 0.790 -7.004 674 2HG2 ILE 11 HMG ILE 11 5.861 1.972 -6.561 675 3HG2 ILE 11 HMG ILE 11 5.539 0.225 -6.403 676 1HD1 ILE 11 HMD ILE 11 2.992 1.511 -7.500 677 2HD1 ILE 11 HMD ILE 11 4.004 2.786 -6.768 678 3HD1 ILE 11 HMD ILE 11 2.855 3.197 -8.071 679 H ILE 12 HN ILE 12 6.155 -1.588 -9.328 680 HA ILE 12 HA ILE 12 8.408 -2.557 -7.978 681 HB ILE 12 HB ILE 12 6.778 -4.150 -10.007 682 1HG1 ILE 12 HG1 ILE 12 5.137 -2.969 -8.783 683 2HG1 ILE 12 HG1 ILE 12 5.205 -4.608 -8.077 684 1HG2 ILE 12 HMG ILE 12 8.814 -4.876 -8.199 685 2HG2 ILE 12 HMG ILE 12 7.284 -5.511 -7.536 686 3HG2 ILE 12 HMG ILE 12 7.783 -5.938 -9.195 687 1HD1 ILE 12 HMD ILE 12 6.688 -2.267 -6.872 688 2HD1 ILE 12 HMD ILE 12 4.996 -2.653 -6.459 689 3HD1 ILE 12 HMD ILE 12 6.287 -3.839 -6.130 690 H LYS 13 HN LYS 13 7.856 -1.992 -11.418 691 HA LYS 13 HA LYS 13 10.208 -3.347 -12.406 692 1HB LYS 13 HBR LYS 13 8.286 -1.302 -13.467 693 2HB LYS 13 HBS LYS 13 9.868 -1.514 -14.269 694 1HG LYS 13 HGR LYS 13 8.406 -4.031 -13.724 695 2HG LYS 13 HGS LYS 13 7.599 -2.927 -14.875 696 1HD LYS 13 HDS LYS 13 10.406 -4.018 -15.092 697 2HD LYS 13 HDR LYS 13 9.009 -4.548 -15.988 698 1HE LYS 13 HES LYS 13 10.391 -1.883 -16.179 699 2HE LYS 13 HER LYS 13 10.228 -3.156 -17.423 700 1HZ LYS 13 HZA LYS 13 7.696 -2.599 -16.788 701 2HZ LYS 13 HZB LYS 13 8.381 -1.122 -16.656 702 3HZ LYS 13 HZC LYS 13 8.498 -1.954 -18.056 703 H ASP 14 HN ASP 14 9.422 -0.022 -11.378 704 HA ASP 14 HA ASP 14 11.838 1.134 -11.791 705 1HB ASP 14 HBS ASP 14 9.712 2.214 -11.023 706 2HB ASP 14 HBR ASP 14 10.169 1.734 -9.361 707 H ALA 15 HN ALA 15 10.903 -0.843 -9.020 708 HA ALA 15 HA ALA 15 13.299 -0.943 -7.617 709 1HB ALA 15 HMB ALA 15 10.930 -2.244 -7.488 710 2HB ALA 15 HMB ALA 15 11.983 -3.545 -8.101 711 3HB ALA 15 HMB ALA 15 12.387 -2.716 -6.576 712 H GLY 16 HN GLY 16 12.370 -2.754 -10.541 713 1HA GLY 16 HAR GLY 16 14.289 -3.248 -12.050 714 2HA GLY 16 HAS GLY 16 15.109 -3.959 -10.633 715 H ALA 17 HN ALA 17 11.678 -4.380 -10.864 716 HA ALA 17 HA ALA 17 11.837 -7.180 -11.133 717 1HB ALA 17 HMB ALA 17 9.760 -5.117 -10.897 718 2HB ALA 17 HMB ALA 17 9.246 -6.575 -11.785 719 3HB ALA 17 HMB ALA 17 9.896 -6.721 -10.131 720 H GLU 18 HN GLU 18 11.185 -8.579 -12.764 721 HA GLU 18 HA GLU 18 10.333 -7.543 -15.336 722 1HB GLU 18 HBR GLU 18 12.121 -8.728 -16.574 723 2HB GLU 18 HBS GLU 18 12.534 -7.307 -15.781 724 1HG GLU 18 HGS GLU 18 14.315 -8.348 -14.996 725 2HG GLU 18 HGR GLU 18 13.227 -9.038 -13.762 726 H ARG 19 HN ARG 19 8.636 -8.769 -15.665 727 HA ARG 19 HA ARG 19 7.263 -10.593 -15.892 728 1HB ARG 19 HBR ARG 19 9.075 -11.743 -17.063 729 2HB ARG 19 HBS ARG 19 9.790 -12.231 -15.498 730 1HG ARG 19 HGS ARG 19 8.657 -14.140 -16.265 731 2HG ARG 19 HGR ARG 19 7.564 -13.421 -15.048 732 1HD ARG 19 HDS ARG 19 6.017 -13.649 -16.631 733 2HD ARG 19 HDR ARG 19 6.745 -12.165 -17.304 734 HE ARG 19 HE ARG 19 8.232 -13.995 -18.535 735 1HH1 ARG 19 HH1 ARG 19 4.800 -14.293 -17.789 736 2HH1 ARG 19 HH1 ARG 19 4.437 -15.112 -19.272 737 1HH2 ARG 19 HH2 ARG 19 7.698 -14.953 -20.518 738 2HH2 ARG 19 HH2 ARG 19 6.077 -15.487 -20.816 739 H VAL 20 HN VAL 20 6.091 -10.161 -14.100 740 HA VAL 20 HA VAL 20 6.787 -11.808 -11.723 741 HB VAL 20 HB VAL 20 5.002 -9.366 -11.799 742 1HG1 VAL 20 HMG VAL 20 5.647 -11.362 -9.680 743 2HG1 VAL 20 HMG VAL 20 5.484 -9.655 -9.205 744 3HG1 VAL 20 HMG VAL 20 4.135 -10.486 -10.016 745 1HG2 VAL 20 HMG VAL 20 7.899 -9.689 -11.255 746 2HG2 VAL 20 HMG VAL 20 6.988 -8.303 -11.904 747 3HG2 VAL 20 HMG VAL 20 6.984 -8.630 -10.154 748 H SER 21 HN SER 21 5.165 -13.078 -10.841 749 HA SER 21 HA SER 21 3.178 -14.176 -12.606 750 1HB SER 21 HBS SER 21 2.465 -15.473 -10.786 751 2HB SER 21 HBR SER 21 4.241 -15.345 -10.632 752 HG SER 21 HG SER 21 2.605 -15.062 -8.744 753 H ASP 22 HN ASP 22 0.961 -13.939 -12.557 754 HA ASP 22 HA ASP 22 -0.111 -11.352 -11.954 755 1HB ASP 22 HBS ASP 22 -1.814 -13.794 -12.280 756 2HB ASP 22 HBR ASP 22 -2.127 -12.097 -12.746 757 H ASP 23 HN ASP 23 0.190 -14.371 -10.199 758 HA ASP 23 HA ASP 23 -1.392 -13.724 -7.984 759 1HB ASP 23 HBS ASP 23 -0.148 -15.908 -8.631 760 2HB ASP 23 HBR ASP 23 1.156 -15.235 -7.610 761 H ALA 24 HN ALA 24 2.161 -13.328 -8.214 762 HA ALA 24 HA ALA 24 2.433 -12.005 -5.808 763 1HB ALA 24 HMB ALA 24 4.106 -12.841 -7.828 764 2HB ALA 24 HMB ALA 24 4.331 -11.073 -7.833 765 3HB ALA 24 HMB ALA 24 4.597 -12.000 -6.335 766 H ARG 25 HN ARG 25 2.085 -10.555 -9.056 767 HA ARG 25 HA ARG 25 2.501 -7.892 -8.292 768 1HB ARG 25 HBR ARG 25 1.346 -7.273 -10.374 769 2HB ARG 25 HBS ARG 25 2.566 -8.558 -10.610 770 1HG ARG 25 HGS ARG 25 0.674 -10.225 -10.555 771 2HG ARG 25 HGR ARG 25 -0.453 -8.840 -10.588 772 1HD ARG 25 HDS ARG 25 1.279 -8.250 -12.622 773 2HD ARG 25 HDR ARG 25 1.162 -10.030 -12.712 774 HE ARG 25 HE ARG 25 -1.421 -8.765 -12.456 775 1HH1 ARG 25 HH1 ARG 25 1.046 -9.936 -14.688 776 2HH1 ARG 25 HH1 ARG 25 -0.007 -9.865 -16.061 777 1HH2 ARG 25 HH2 ARG 25 -2.729 -8.563 -14.297 778 2HH2 ARG 25 HH2 ARG 25 -2.143 -9.087 -15.841 779 H ILE 26 HN ILE 26 -0.491 -9.804 -8.437 780 HA ILE 26 HA ILE 26 -2.141 -7.669 -7.442 781 HB ILE 26 HB ILE 26 -2.599 -10.689 -7.603 782 1HG1 ILE 26 HG1 ILE 26 -3.410 -8.414 -9.455 783 2HG1 ILE 26 HG1 ILE 26 -2.136 -9.630 -9.756 784 1HG2 ILE 26 HMG ILE 26 -4.451 -8.441 -6.859 785 2HG2 ILE 26 HMG ILE 26 -5.064 -9.936 -7.615 786 3HG2 ILE 26 HMG ILE 26 -4.195 -10.014 -6.059 787 1HD1 ILE 26 HMD ILE 26 -4.016 -11.371 -9.545 788 2HD1 ILE 26 HMD ILE 26 -5.131 -9.989 -9.722 789 3HD1 ILE 26 HMD ILE 26 -3.965 -10.365 -11.018 790 H THR 27 HN THR 27 -0.197 -10.207 -6.000 791 HA THR 27 HA THR 27 -1.440 -10.265 -3.413 792 HB THR 27 HB THR 27 1.382 -11.037 -4.341 793 HG1 THR 27 HG1 THR 27 -0.031 -12.030 -5.187 794 1HG2 THR 27 HMG THR 27 1.358 -10.515 -1.908 795 2HG2 THR 27 HMG THR 27 0.087 -11.746 -1.698 796 3HG2 THR 27 HMG THR 27 1.704 -12.224 -2.277 797 H LEU 28 HN LEU 28 1.405 -8.552 -4.740 798 HA LEU 28 HA LEU 28 1.971 -6.940 -2.509 799 1HB LEU 28 HBR LEU 28 3.075 -7.397 -4.884 800 2HB LEU 28 HBS LEU 28 2.209 -5.900 -5.309 801 HG LEU 28 HG LEU 28 3.567 -4.568 -4.031 802 1HD1 LEU 28 HMD LEU 28 3.339 -5.929 -1.923 803 2HD1 LEU 28 HMD LEU 28 4.667 -6.956 -2.521 804 3HD1 LEU 28 HMD LEU 28 4.950 -5.225 -2.206 805 1HD2 LEU 28 HMD LEU 28 4.891 -6.823 -5.400 806 2HD2 LEU 28 HMD LEU 28 5.069 -5.064 -5.624 807 3HD2 LEU 28 HMD LEU 28 5.931 -5.885 -4.297 808 H ALA 29 HN ALA 29 0.154 -5.956 -5.436 809 HA ALA 29 HA ALA 29 -0.954 -3.677 -4.449 810 1HB ALA 29 HMB ALA 29 -1.385 -5.404 -6.686 811 2HB ALA 29 HMB ALA 29 -2.964 -4.862 -6.064 812 3HB ALA 29 HMB ALA 29 -1.727 -3.663 -6.517 813 H LYS 30 HN LYS 30 -1.800 -6.910 -3.572 814 HA LYS 30 HA LYS 30 -4.345 -6.109 -2.398 815 1HB LYS 30 HBR LYS 30 -4.061 -8.268 -3.571 816 2HB LYS 30 HBS LYS 30 -2.893 -8.775 -2.319 817 1HG LYS 30 HGR LYS 30 -5.524 -7.866 -1.295 818 2HG LYS 30 HGS LYS 30 -5.562 -9.357 -2.278 819 1HD LYS 30 HDS LYS 30 -3.458 -9.911 -0.704 820 2HD LYS 30 HDR LYS 30 -4.319 -8.831 0.357 821 1HE LYS 30 HES LYS 30 -6.350 -10.196 0.147 822 2HE LYS 30 HER LYS 30 -5.442 -11.321 -0.902 823 1HZ LYS 30 HZB LYS 30 -4.061 -10.840 1.493 824 2HZ LYS 30 HZC LYS 30 -5.574 -11.361 1.824 825 3HZ LYS 30 HZA LYS 30 -4.590 -12.256 0.876 826 H ILE 31 HN ILE 31 -1.065 -6.732 -1.365 827 HA ILE 31 HA ILE 31 -1.514 -6.658 1.481 828 HB ILE 31 HB ILE 31 0.816 -6.160 -0.397 829 1HG1 ILE 31 HG1 ILE 31 1.270 -8.004 1.777 830 2HG1 ILE 31 HG1 ILE 31 -0.300 -8.354 0.996 831 1HG2 ILE 31 HMG ILE 31 0.769 -5.453 2.528 832 2HG2 ILE 31 HMG ILE 31 2.258 -6.016 1.724 833 3HG2 ILE 31 HMG ILE 31 1.435 -4.543 1.147 834 1HD1 ILE 31 HMD ILE 31 1.773 -7.860 -0.975 835 2HD1 ILE 31 HMD ILE 31 2.235 -9.173 0.139 836 3HD1 ILE 31 HMD ILE 31 0.705 -9.274 -0.771 837 H LEU 32 HN LEU 32 -0.179 -4.097 -0.637 838 HA LEU 32 HA LEU 32 -0.410 -2.111 1.221 839 1HB LEU 32 HBR LEU 32 -0.571 -1.780 -1.789 840 2HB LEU 32 HBS LEU 32 0.019 -0.584 -0.601 841 HG LEU 32 HG LEU 32 1.657 -2.747 -0.144 842 1HD1 LEU 32 HMD LEU 32 0.471 -3.263 -2.621 843 2HD1 LEU 32 HMD LEU 32 2.048 -2.533 -3.019 844 3HD1 LEU 32 HMD LEU 32 1.972 -3.979 -1.979 845 1HD2 LEU 32 HMD LEU 32 2.233 -0.365 -0.271 846 2HD2 LEU 32 HMD LEU 32 3.330 -1.350 -1.272 847 3HD2 LEU 32 HMD LEU 32 2.030 -0.404 -2.041 848 H GLU 33 HN GLU 33 -2.824 -3.043 -1.206 849 HA GLU 33 HA GLU 33 -4.595 -0.897 -0.713 850 1HB GLU 33 HBR GLU 33 -6.010 -2.010 -2.138 851 2HB GLU 33 HBS GLU 33 -4.463 -2.457 -2.602 852 1HG GLU 33 HGS GLU 33 -5.396 -4.495 -2.754 853 2HG GLU 33 HGR GLU 33 -4.777 -4.620 -1.085 854 H GLU 34 HN GLU 34 -4.493 -4.206 0.643 855 HA GLU 34 HA GLU 34 -6.605 -3.979 2.486 856 1HB GLU 34 HBR GLU 34 -4.001 -5.472 2.371 857 2HB GLU 34 HBS GLU 34 -4.893 -5.467 3.793 858 1HG GLU 34 HGS GLU 34 -6.751 -5.986 1.712 859 2HG GLU 34 HGR GLU 34 -5.420 -7.161 1.529 860 H MET 35 HN MET 35 -3.123 -3.226 2.896 861 HA MET 35 HA MET 35 -3.262 -2.111 5.444 862 1HB MET 35 HBS MET 35 -1.451 -1.376 3.123 863 2HB MET 35 HBR MET 35 -1.205 -0.861 4.811 864 1HG MET 35 HGS MET 35 -1.518 -3.801 4.076 865 2HG MET 35 HGR MET 35 0.053 -2.979 3.946 866 1HE MET 35 HME MET 35 0.339 -1.050 5.739 867 2HE MET 35 HME MET 35 0.129 -1.276 7.494 868 3HE MET 35 HME MET 35 1.434 -2.132 6.635 869 H GLY 36 HN GLY 36 -4.190 -0.761 2.347 870 1HA GLY 36 HAR GLY 36 -4.309 1.960 3.199 871 2HA GLY 36 HAS GLY 36 -5.052 1.279 1.726 872 H ARG 37 HN ARG 37 -6.803 -0.567 2.754 873 HA ARG 37 HA ARG 37 -8.994 0.838 3.928 874 1HB ARG 37 HBR ARG 37 -8.578 -1.684 2.836 875 2HB ARG 37 HBS ARG 37 -8.892 -2.011 4.564 876 1HG ARG 37 HGS ARG 37 -10.856 -0.176 3.909 877 2HG ARG 37 HGR ARG 37 -10.720 -1.167 2.429 878 1HD ARG 37 HDS ARG 37 -11.372 -2.019 5.234 879 2HD ARG 37 HDR ARG 37 -12.320 -2.240 3.736 880 HE ARG 37 HE ARG 37 -10.465 -4.074 4.778 881 1HH1 ARG 37 HH1 ARG 37 -11.444 -2.647 1.705 882 2HH1 ARG 37 HH1 ARG 37 -10.707 -3.901 0.765 883 1HH2 ARG 37 HH2 ARG 37 -9.408 -5.627 3.511 884 2HH2 ARG 37 HH2 ARG 37 -9.558 -5.590 1.786 885 H ASP 38 HN ASP 38 -6.054 -0.438 5.185 886 HA ASP 38 HA ASP 38 -7.145 -0.929 7.815 887 1HB ASP 38 HBS ASP 38 -4.839 -1.745 6.308 888 2HB ASP 38 HBR ASP 38 -4.366 -1.196 7.942 889 H ILE 39 HN ILE 39 -4.695 1.291 6.473 890 HA ILE 39 HA ILE 39 -4.482 2.946 8.834 891 HB ILE 39 HB ILE 39 -4.042 3.787 5.933 892 1HG1 ILE 39 HG1 ILE 39 -1.828 2.642 7.630 893 2HG1 ILE 39 HG1 ILE 39 -2.936 1.548 6.756 894 1HG2 ILE 39 HMG ILE 39 -3.845 5.237 8.265 895 2HG2 ILE 39 HMG ILE 39 -2.162 4.731 7.959 896 3HG2 ILE 39 HMG ILE 39 -3.065 5.627 6.709 897 1HD1 ILE 39 HMD ILE 39 -1.525 3.790 5.324 898 2HD1 ILE 39 HMD ILE 39 -0.709 2.235 5.637 899 3HD1 ILE 39 HMD ILE 39 -2.205 2.278 4.667 900 H ALA 40 HN ALA 40 -6.869 2.382 6.434 901 HA ALA 40 HA ALA 40 -8.152 4.980 6.398 902 1HB ALA 40 HMB ALA 40 -8.458 3.221 4.664 903 2HB ALA 40 HMB ALA 40 -9.335 2.243 5.868 904 3HB ALA 40 HMB ALA 40 -9.981 3.825 5.367 905 H SER 41 HN SER 41 -9.444 1.907 7.681 906 HA SER 41 HA SER 41 -11.240 3.133 9.420 907 1HB SER 41 HBS SER 41 -10.062 0.365 9.336 908 2HB SER 41 HBR SER 41 -11.200 0.852 10.626 909 HG SER 41 HG SER 41 -11.641 -0.047 8.141 910 H GLU 42 HN GLU 42 -7.856 2.737 9.758 911 HA GLU 42 HA GLU 42 -7.767 3.228 12.612 912 1HB GLU 42 HBR GLU 42 -5.986 2.829 10.347 913 2HB GLU 42 HBS GLU 42 -5.481 4.141 11.262 914 1HG GLU 42 HGS GLU 42 -5.972 2.499 13.315 915 2HG GLU 42 HGR GLU 42 -5.469 1.277 12.116 916 H ALA 43 HN ALA 43 -6.915 5.278 9.782 917 HA ALA 43 HA ALA 43 -6.920 7.738 11.127 918 1HB ALA 43 HMB ALA 43 -7.211 6.846 8.296 919 2HB ALA 43 HMB ALA 43 -7.635 8.531 8.697 920 3HB ALA 43 HMB ALA 43 -6.002 7.913 9.057 921 H ILE 44 HN ILE 44 -9.535 5.678 10.248 922 HA ILE 44 HA ILE 44 -11.534 7.774 10.358 923 HB ILE 44 HB ILE 44 -11.680 4.732 10.117 924 1HG1 ILE 44 HG1 ILE 44 -12.298 6.840 8.023 925 2HG1 ILE 44 HG1 ILE 44 -10.658 6.177 8.280 926 1HG2 ILE 44 HMG ILE 44 -13.836 6.670 10.577 927 2HG2 ILE 44 HMG ILE 44 -14.080 5.614 9.160 928 3HG2 ILE 44 HMG ILE 44 -13.807 4.898 10.770 929 1HD1 ILE 44 HMD ILE 44 -13.116 4.557 7.548 930 2HD1 ILE 44 HMD ILE 44 -11.840 5.080 6.417 931 3HD1 ILE 44 HMD ILE 44 -11.452 3.941 7.733 932 H LYS 45 HN LYS 45 -10.908 4.832 12.313 933 HA LYS 45 HA LYS 45 -12.459 5.583 14.577 934 1HB LYS 45 HBR LYS 45 -11.331 3.322 14.022 935 2HB LYS 45 HBS LYS 45 -9.876 4.039 14.772 936 1HG LYS 45 HGR LYS 45 -11.172 4.432 16.853 937 2HG LYS 45 HGS LYS 45 -12.585 3.637 16.100 938 1HD LYS 45 HDS LYS 45 -11.405 2.133 17.599 939 2HD LYS 45 HDR LYS 45 -11.472 1.568 15.952 940 1HE LYS 45 HES LYS 45 -9.266 1.323 17.246 941 2HE LYS 45 HER LYS 45 -9.240 1.895 15.554 942 1HZ LYS 45 HZA LYS 45 -9.295 3.758 17.811 943 2HZ LYS 45 HZB LYS 45 -7.890 3.165 17.226 944 3HZ LYS 45 HZC LYS 45 -8.867 4.051 16.262 945 H LEU 46 HN LEU 46 -9.527 6.811 13.278 946 HA LEU 46 HA LEU 46 -8.662 8.066 15.749 947 1HB LEU 46 HBR LEU 46 -7.792 7.854 12.910 948 2HB LEU 46 HBS LEU 46 -7.237 9.281 13.831 949 HG LEU 46 HG LEU 46 -6.848 6.512 14.931 950 1HD1 LEU 46 HMD LEU 46 -5.465 7.793 12.624 951 2HD1 LEU 46 HMD LEU 46 -4.440 7.016 13.857 952 3HD1 LEU 46 HMD LEU 46 -5.695 6.070 13.017 953 1HD2 LEU 46 HMD LEU 46 -5.987 9.291 15.420 954 2HD2 LEU 46 HMD LEU 46 -6.133 7.915 16.542 955 3HD2 LEU 46 HMD LEU 46 -4.685 8.078 15.517 956 H ALA 47 HN ALA 47 -10.358 9.050 12.784 957 HA ALA 47 HA ALA 47 -10.421 11.845 13.309 958 1HB ALA 47 HMB ALA 47 -12.134 9.988 11.657 959 2HB ALA 47 HMB ALA 47 -12.449 11.738 11.769 960 3HB ALA 47 HMB ALA 47 -10.896 11.151 11.120 961 H ARG 48 HN ARG 48 -12.366 9.137 14.424 962 HA ARG 48 HA ARG 48 -14.307 10.806 15.770 963 1HB ARG 48 HBR ARG 48 -14.441 8.296 14.952 964 2HB ARG 48 HBS ARG 48 -13.796 7.969 16.586 965 1HG ARG 48 HGS ARG 48 -15.991 7.882 17.122 966 2HG ARG 48 HGR ARG 48 -15.809 9.657 17.216 967 1HD ARG 48 HDS ARG 48 -16.557 8.262 14.663 968 2HD ARG 48 HDR ARG 48 -17.774 8.705 15.893 969 HE ARG 48 HE ARG 48 -16.318 11.019 15.442 970 1HH1 ARG 48 HH1 ARG 48 -18.488 8.895 13.651 971 2HH1 ARG 48 HH1 ARG 48 -18.870 10.101 12.468 972 1HH2 ARG 48 HH2 ARG 48 -16.741 12.529 13.804 973 2HH2 ARG 48 HH2 ARG 48 -17.882 12.158 12.555 974 H HIS 49 HN HIS 49 -11.674 8.654 16.912 975 HA HIS 49 HA HIS 49 -11.775 9.367 19.586 976 1HB HIS 49 HBS HIS 49 -10.354 7.505 18.530 977 2HB HIS 49 HBR HIS 49 -9.133 8.771 18.208 978 HD1 HIS 49 HD1 HIS 49 -10.635 6.738 21.020 979 HD2 HIS 49 HD2 HIS 49 -7.836 9.772 20.461 980 HE1 HIS 49 HE1 HIS 49 -9.271 6.839 23.121 981 HE2 HIS 49 HE2 HIS 49 -7.562 8.658 22.779 982 H ALA 50 HN ALA 50 -10.060 10.959 16.927 983 HA ALA 50 HA ALA 50 -8.661 12.876 18.336 984 1HB ALA 50 HMB ALA 50 -8.593 12.457 15.878 985 2HB ALA 50 HMB ALA 50 -10.123 13.359 15.728 986 3HB ALA 50 HMB ALA 50 -8.659 14.180 16.330 987 H GLY 51 HN GLY 51 -12.057 13.030 17.245 988 1HA GLY 51 HAR GLY 51 -13.664 14.416 18.579 989 2HA GLY 51 HAS GLY 51 -12.356 15.621 18.711 990 H ARG 52 HN ARG 52 -12.906 13.704 15.809 991 HA ARG 52 HA ARG 52 -13.952 14.093 13.808 992 1HB ARG 52 HBR ARG 52 -15.937 14.645 15.113 993 2HB ARG 52 HBS ARG 52 -15.355 16.322 15.320 994 1HG ARG 52 HGS ARG 52 -15.344 15.921 12.558 995 2HG ARG 52 HGR ARG 52 -16.831 15.106 13.120 996 1HD ARG 52 HDS ARG 52 -15.988 17.959 13.619 997 2HD ARG 52 HDR ARG 52 -17.332 17.381 12.594 998 HE ARG 52 HE ARG 52 -18.091 16.382 14.939 999 1HH1 ARG 52 HH1 ARG 52 -16.482 19.479 14.447 1000 2HH1 ARG 52 HH1 ARG 52 -17.403 20.277 15.677 1001 1HH2 ARG 52 HH2 ARG 52 -19.366 17.492 16.451 1002 2HH2 ARG 52 HH2 ARG 52 -19.034 19.153 16.812 1003 H LYS 53 HN LYS 53 -12.592 14.741 12.325 1004 HA LYS 53 HA LYS 53 -12.361 17.599 11.706 1005 1HB LYS 53 HBR LYS 53 -10.051 15.932 12.716 1006 2HB LYS 53 HBS LYS 53 -9.812 17.309 11.604 1007 1HG LYS 53 HGR LYS 53 -10.962 17.363 14.416 1008 2HG LYS 53 HGS LYS 53 -9.443 18.106 13.837 1009 1HD LYS 53 HDS LYS 53 -12.248 18.920 13.070 1010 2HD LYS 53 HDR LYS 53 -11.199 19.736 14.196 1011 1HE LYS 53 HES LYS 53 -10.421 20.965 12.542 1012 2HE LYS 53 HER LYS 53 -9.673 19.484 11.880 1013 1HZ LYS 53 HZB LYS 53 -11.873 19.099 10.806 1014 2HZ LYS 53 HZC LYS 53 -12.288 20.626 11.211 1015 3HZ LYS 53 HZA LYS 53 -11.020 20.361 10.216 1016 H THR 54 HN THR 54 -13.219 14.840 10.641 1017 HA THR 54 HA THR 54 -13.094 13.545 8.783 1018 HB THR 54 HB THR 54 -13.541 15.997 7.917 1019 HG1 THR 54 HG1 THR 54 -12.479 14.017 6.396 1020 1HG2 THR 54 HMG THR 54 -10.693 15.872 7.450 1021 2HG2 THR 54 HMG THR 54 -11.584 16.018 5.914 1022 3HG2 THR 54 HMG THR 54 -11.843 17.211 7.210 1023 H ILE 55 HN ILE 55 -11.686 12.576 7.116 1024 HA ILE 55 HA ILE 55 -9.038 12.008 8.225 1025 HB ILE 55 HB ILE 55 -10.236 11.050 5.585 1026 1HG1 ILE 55 HG1 ILE 55 -11.876 10.538 7.222 1027 2HG1 ILE 55 HG1 ILE 55 -10.983 9.027 6.892 1028 1HG2 ILE 55 HMG ILE 55 -7.705 10.702 6.581 1029 2HG2 ILE 55 HMG ILE 55 -8.540 9.220 7.117 1030 3HG2 ILE 55 HMG ILE 55 -8.512 9.651 5.387 1031 1HD1 ILE 55 HMD ILE 55 -9.677 9.375 8.960 1032 2HD1 ILE 55 HMD ILE 55 -10.637 10.841 9.298 1033 3HD1 ILE 55 HMD ILE 55 -11.428 9.243 9.267 1034 H LYS 56 HN LYS 56 -7.122 12.648 7.441 1035 HA LYS 56 HA LYS 56 -6.960 14.487 5.147 1036 1HB LYS 56 HBR LYS 56 -6.494 15.364 8.015 1037 2HB LYS 56 HBS LYS 56 -5.964 16.268 6.568 1038 1HG LYS 56 HGR LYS 56 -8.585 15.977 5.975 1039 2HG LYS 56 HGS LYS 56 -8.682 15.963 7.759 1040 1HD LYS 56 HDS LYS 56 -7.372 18.115 6.093 1041 2HD LYS 56 HDR LYS 56 -8.989 18.177 6.737 1042 1HE LYS 56 HES LYS 56 -8.312 18.445 8.910 1043 2HE LYS 56 HER LYS 56 -6.737 17.656 8.610 1044 1HZ LYS 56 HZC LYS 56 -7.524 20.304 7.603 1045 2HZ LYS 56 HZA LYS 56 -6.543 20.036 8.881 1046 3HZ LYS 56 HZB LYS 56 -6.074 19.586 7.383 1047 H ALA 57 HN ALA 57 -4.638 15.540 5.294 1048 HA ALA 57 HA ALA 57 -2.658 13.495 5.193 1049 1HB ALA 57 HMB ALA 57 -2.692 16.483 5.150 1050 2HB ALA 57 HMB ALA 57 -1.148 15.646 5.454 1051 3HB ALA 57 HMB ALA 57 -2.062 15.315 3.960 1052 H GLU 58 HN GLU 58 -3.885 15.546 7.762 1053 HA GLU 58 HA GLU 58 -1.742 14.889 9.588 1054 1HB GLU 58 HBR GLU 58 -3.788 16.780 9.282 1055 2HB GLU 58 HBS GLU 58 -4.271 15.873 10.608 1056 1HG GLU 58 HGS GLU 58 -1.665 16.192 11.273 1057 2HG GLU 58 HGR GLU 58 -1.986 17.775 10.513 1058 H ASP 59 HN ASP 59 -4.964 13.667 8.881 1059 HA ASP 59 HA ASP 59 -4.989 12.043 11.286 1060 1HB ASP 59 HBS ASP 59 -6.947 12.832 9.223 1061 2HB ASP 59 HBR ASP 59 -7.190 11.238 9.996 1062 H ILE 60 HN ILE 60 -4.478 11.583 7.838 1063 HA ILE 60 HA ILE 60 -4.163 8.720 7.891 1064 HB ILE 60 HB ILE 60 -3.012 10.899 6.081 1065 1HG1 ILE 60 HG1 ILE 60 -5.430 10.752 6.021 1066 2HG1 ILE 60 HG1 ILE 60 -4.736 10.143 4.490 1067 1HG2 ILE 60 HMG ILE 60 -2.698 7.921 5.986 1068 2HG2 ILE 60 HMG ILE 60 -2.773 8.864 4.473 1069 3HG2 ILE 60 HMG ILE 60 -1.505 9.210 5.680 1070 1HD1 ILE 60 HMD ILE 60 -4.963 7.832 5.902 1071 2HD1 ILE 60 HMD ILE 60 -6.344 8.758 6.546 1072 3HD1 ILE 60 HMD ILE 60 -6.206 8.466 4.791 1073 H GLU 61 HN GLU 61 -1.994 11.508 8.374 1074 HA GLU 61 HA GLU 61 0.431 10.047 8.437 1075 1HB GLU 61 HBR GLU 61 -0.551 12.715 9.381 1076 2HB GLU 61 HBS GLU 61 0.909 12.146 9.982 1077 1HG GLU 61 HGS GLU 61 1.983 11.949 7.905 1078 2HG GLU 61 HGR GLU 61 0.493 12.247 6.968 1079 H LEU 62 HN LEU 62 -1.660 11.237 11.094 1080 HA LEU 62 HA LEU 62 -0.342 9.961 13.227 1081 1HB LEU 62 HBR LEU 62 -2.745 11.416 12.691 1082 2HB LEU 62 HBS LEU 62 -3.155 9.978 13.672 1083 HG LEU 62 HG LEU 62 -1.400 10.711 15.309 1084 1HD1 LEU 62 HMD LEU 62 -0.521 12.368 13.366 1085 2HD1 LEU 62 HMD LEU 62 -1.599 13.479 14.248 1086 3HD1 LEU 62 HMD LEU 62 -0.264 12.666 15.104 1087 1HD2 LEU 62 HMD LEU 62 -4.047 11.477 14.900 1088 2HD2 LEU 62 HMD LEU 62 -3.116 11.626 16.412 1089 3HD2 LEU 62 HMD LEU 62 -3.205 13.000 15.282 1090 H ALA 63 HN ALA 63 -3.088 8.810 11.240 1091 HA ALA 63 HA ALA 63 -3.382 6.328 12.382 1092 1HB ALA 63 HMB ALA 63 -3.778 7.200 9.512 1093 2HB ALA 63 HMB ALA 63 -4.316 5.629 10.159 1094 3HB ALA 63 HMB ALA 63 -4.982 7.142 10.825 1095 H VAL 64 HN VAL 64 -1.313 7.145 9.577 1096 HA VAL 64 HA VAL 64 -0.583 4.437 9.270 1097 HB VAL 64 HB VAL 64 -0.753 6.615 7.712 1098 1HG1 VAL 64 HMG VAL 64 2.217 6.245 8.111 1099 2HG1 VAL 64 HMG VAL 64 1.523 6.878 6.599 1100 3HG1 VAL 64 HMG VAL 64 1.247 7.738 8.133 1101 1HG2 VAL 64 HMG VAL 64 -0.545 3.969 7.332 1102 2HG2 VAL 64 HMG VAL 64 -0.568 5.170 6.019 1103 3HG2 VAL 64 HMG VAL 64 0.980 4.493 6.580 1104 H ARG 65 HN ARG 65 1.555 7.221 10.007 1105 HA ARG 65 HA ARG 65 3.796 5.743 10.674 1106 1HB ARG 65 HBR ARG 65 2.843 8.490 11.215 1107 2HB ARG 65 HBS ARG 65 4.070 7.868 12.355 1108 1HG ARG 65 HGS ARG 65 5.664 7.561 10.629 1109 2HG ARG 65 HGR ARG 65 4.433 7.772 9.351 1110 1HD ARG 65 HDS ARG 65 4.551 10.040 11.155 1111 2HD ARG 65 HDR ARG 65 6.128 9.703 10.385 1112 HE ARG 65 HE ARG 65 4.312 9.585 8.315 1113 1HH1 ARG 65 HH1 ARG 65 4.824 11.985 10.846 1114 2HH1 ARG 65 HH1 ARG 65 4.526 13.323 9.788 1115 1HH2 ARG 65 HH2 ARG 65 4.058 11.364 6.933 1116 2HH2 ARG 65 HH2 ARG 65 4.090 12.973 7.574 1117 H ARG 66 HN ARG 66 0.912 6.259 12.546 1118 HA ARG 66 HA ARG 66 2.060 5.019 14.942 1119 1HB ARG 66 HBR ARG 66 0.265 6.772 15.026 1120 2HB ARG 66 HBS ARG 66 -0.854 5.576 14.310 1121 1HG ARG 66 HGS ARG 66 0.083 4.140 16.399 1122 2HG ARG 66 HGR ARG 66 0.224 5.789 17.072 1123 1HD ARG 66 HDS ARG 66 -2.049 6.203 16.857 1124 2HD ARG 66 HDR ARG 66 -2.279 4.859 15.703 1125 HE ARG 66 HE ARG 66 -1.604 3.438 17.805 1126 1HH1 ARG 66 HH1 ARG 66 -3.808 6.183 17.595 1127 2HH1 ARG 66 HH1 ARG 66 -4.634 5.770 19.060 1128 1HH2 ARG 66 HH2 ARG 66 -2.625 3.004 19.781 1129 2HH2 ARG 66 HH2 ARG 66 -3.966 3.972 20.298 1130 H PHE 67 HN PHE 67 0.191 4.137 12.099 1131 HA PHE 67 HA PHE 67 -0.757 1.661 12.872 1132 1HB PHE 67 HBR PHE 67 -1.097 2.897 10.602 1133 2HB PHE 67 HBS PHE 67 0.365 2.010 10.081 1134 HD1 PHE 67 HD2 PHE 67 -2.319 0.692 12.369 1135 HD2 PHE 67 HD1 PHE 67 -0.516 0.630 8.508 1136 HE1 PHE 67 HE2 PHE 67 -3.744 -1.230 11.739 1137 HE2 PHE 67 HE1 PHE 67 -1.921 -1.273 7.860 1138 HZ PHE 67 HZ PHE 67 -3.447 -2.282 9.514 1139 H LYS 68 HN LYS 68 2.468 2.495 11.647 1140 HA LYS 68 HA LYS 68 4.423 1.297 11.468 1141 1HB LYS 68 HBR LYS 68 3.022 -0.180 13.590 1142 2HB LYS 68 HBS LYS 68 4.077 -1.202 12.575 1143 1HG LYS 68 HGR LYS 68 5.736 0.905 13.038 1144 2HG LYS 68 HGS LYS 68 4.772 0.914 14.542 1145 1HD LYS 68 HDS LYS 68 6.458 -1.324 13.436 1146 2HD LYS 68 HDR LYS 68 6.730 -0.377 14.873 1147 1HE LYS 68 HES LYS 68 4.721 -2.539 14.412 1148 2HE LYS 68 HER LYS 68 5.901 -2.319 15.736 1149 1HZ LYS 68 HZC LYS 68 4.549 -0.362 16.374 1150 2HZ LYS 68 HZA LYS 68 3.408 -0.834 15.306 1151 3HZ LYS 68 HZB LYS 68 3.792 -1.795 16.567 1152 H LYS 69 HN LYS 69 5.039 0.291 9.696 1153 HA LYS 69 HA LYS 69 2.951 -0.803 7.994 1154 1HB LYS 69 HBR LYS 69 5.837 -0.020 7.613 1155 2HB LYS 69 HBS LYS 69 4.980 -0.993 6.384 1156 1HG LYS 69 HGR LYS 69 4.819 1.288 5.698 1157 2HG LYS 69 HGS LYS 69 3.214 0.825 6.332 1158 1HD LYS 69 HDS LYS 69 3.541 2.918 7.226 1159 2HD LYS 69 HDR LYS 69 3.904 1.813 8.521 1160 1HE LYS 69 HES LYS 69 5.994 2.519 8.732 1161 2HE LYS 69 HER LYS 69 6.266 2.445 6.968 1162 1HZ LYS 69 HZC LYS 69 4.969 4.550 6.881 1163 2HZ LYS 69 HZA LYS 69 5.085 4.642 8.508 1164 3HZ LYS 69 HZB LYS 69 6.436 4.669 7.591 No H/Q in entry = 1164 Start of MODEL 22 Raw file had 1198 H/Q atoms Start of MODEL 22 1 1H MET 1 HNB MET 1 1.642 10.516 -11.111 2 2H MET 1 HNC MET 1 2.713 10.172 -12.295 3 3H MET 1 HN MET 1 1.534 9.103 -11.922 4 HA MET 1 HA MET 1 3.202 8.110 -10.872 5 1HB MET 1 HBS MET 1 5.068 9.315 -9.851 6 2HB MET 1 HBR MET 1 4.844 9.785 -11.561 7 1HG MET 1 HGS MET 1 3.570 11.810 -10.771 8 2HG MET 1 HGR MET 1 3.967 11.344 -9.099 9 1HE MET 1 HME MET 1 4.380 13.814 -10.641 10 2HE MET 1 HME MET 1 5.821 14.347 -9.739 11 3HE MET 1 HME MET 1 5.909 14.118 -11.504 12 H GLU 2 HN GLU 2 0.571 9.168 -10.071 13 HA GLU 2 HA GLU 2 0.913 9.168 -7.104 14 1HB GLU 2 HBR GLU 2 -0.587 11.052 -7.035 15 2HB GLU 2 HBS GLU 2 0.842 11.360 -7.857 16 1HG GLU 2 HGS GLU 2 -0.057 11.841 -9.811 17 2HG GLU 2 HGR GLU 2 -1.237 10.504 -9.772 18 H LEU 3 HN LEU 3 -0.081 7.340 -6.526 19 HA LEU 3 HA LEU 3 -1.825 5.898 -7.596 20 1HB LEU 3 HBS LEU 3 -1.233 6.530 -4.798 21 2HB LEU 3 HBR LEU 3 -2.677 5.503 -5.088 22 HG LEU 3 HG LEU 3 -1.145 4.186 -6.640 23 1HD1 LEU 3 HMD LEU 3 0.831 5.858 -5.120 24 2HD1 LEU 3 HMD LEU 3 1.276 4.311 -5.888 25 3HD1 LEU 3 HMD LEU 3 0.624 5.642 -6.877 26 1HD2 LEU 3 HMD LEU 3 -1.814 3.840 -3.975 27 2HD2 LEU 3 HMD LEU 3 -0.950 2.636 -4.961 28 3HD2 LEU 3 HMD LEU 3 -0.036 3.751 -3.918 29 HA PRO 4 HA PRO 4 -5.700 7.806 -8.240 30 1HB PRO 4 HBR PRO 4 -7.161 5.600 -8.641 31 2HB PRO 4 HBS PRO 4 -6.299 6.374 -9.804 32 1HG PRO 4 HGR PRO 4 -5.706 3.949 -8.546 33 2HG PRO 4 HGS PRO 4 -5.144 4.549 -9.998 34 1HD PRO 4 HDS PRO 4 -3.753 4.473 -7.689 35 2HD PRO 4 HDR PRO 4 -3.324 5.313 -9.046 36 H ILE 5 HN ILE 5 -7.443 8.596 -7.285 37 HA ILE 5 HA ILE 5 -7.520 7.832 -4.457 38 HB ILE 5 HB ILE 5 -8.541 10.054 -4.135 39 1HG1 ILE 5 HG1 ILE 5 -8.226 11.147 -6.801 40 2HG1 ILE 5 HG1 ILE 5 -9.306 9.725 -6.841 41 1HG2 ILE 5 HMG ILE 5 -5.997 9.677 -4.529 42 2HG2 ILE 5 HMG ILE 5 -6.285 10.585 -6.037 43 3HG2 ILE 5 HMG ILE 5 -6.654 11.333 -4.461 44 1HD1 ILE 5 HMD ILE 5 -10.617 10.796 -4.976 45 2HD1 ILE 5 HMD ILE 5 -9.632 12.262 -5.221 46 3HD1 ILE 5 HMD ILE 5 -10.670 11.654 -6.538 47 H ALA 6 HN ALA 6 -9.420 7.452 -7.274 48 HA ALA 6 HA ALA 6 -11.988 7.135 -5.975 49 1HB ALA 6 HMB ALA 6 -10.810 6.495 -8.655 50 2HB ALA 6 HMB ALA 6 -12.323 5.699 -8.154 51 3HB ALA 6 HMB ALA 6 -12.236 7.477 -8.235 52 HA PRO 7 HA PRO 7 -10.447 2.465 -6.086 53 1HB PRO 7 HBS PRO 7 -7.666 2.787 -6.232 54 2HB PRO 7 HBR PRO 7 -8.606 1.729 -7.064 55 1HG PRO 7 HGR PRO 7 -7.445 3.912 -8.084 56 2HG PRO 7 HGS PRO 7 -8.667 3.036 -8.807 57 1HD PRO 7 HDR PRO 7 -8.821 5.561 -7.652 58 2HD PRO 7 HDS PRO 7 -9.965 4.785 -8.558 59 H ILE 8 HN ILE 8 -7.825 4.370 -4.817 60 HA ILE 8 HA ILE 8 -7.771 3.190 -2.320 61 HB ILE 8 HB ILE 8 -7.042 6.049 -3.118 62 1HG1 ILE 8 HG1 ILE 8 -5.441 3.467 -2.978 63 2HG1 ILE 8 HG1 ILE 8 -5.912 4.373 -4.444 64 1HG2 ILE 8 HMG ILE 8 -7.328 5.649 -0.620 65 2HG2 ILE 8 HMG ILE 8 -5.911 4.572 -0.746 66 3HG2 ILE 8 HMG ILE 8 -5.760 6.297 -1.172 67 1HD1 ILE 8 HMD ILE 8 -4.309 5.847 -2.419 68 2HD1 ILE 8 HMD ILE 8 -3.481 4.547 -3.320 69 3HD1 ILE 8 HMD ILE 8 -4.248 5.895 -4.202 70 H GLY 9 HN GLY 9 -9.431 6.243 -3.194 71 1HA GLY 9 HAR GLY 9 -10.437 6.843 -0.706 72 2HA GLY 9 HAS GLY 9 -11.211 7.352 -2.231 73 H ARG 10 HN ARG 10 -11.892 4.775 -3.213 74 HA ARG 10 HA ARG 10 -14.331 4.201 -1.944 75 1HB ARG 10 HBR ARG 10 -12.752 3.100 -4.121 76 2HB ARG 10 HBS ARG 10 -13.544 1.812 -3.169 77 1HG ARG 10 HGS ARG 10 -15.379 3.999 -3.714 78 2HG ARG 10 HGR ARG 10 -14.671 3.353 -5.222 79 1HD ARG 10 HDS ARG 10 -15.292 1.146 -3.582 80 2HD ARG 10 HDR ARG 10 -16.697 2.247 -3.539 81 HE ARG 10 HE ARG 10 -15.637 1.747 -6.206 82 1HH1 ARG 10 HH1 ARG 10 -18.067 0.963 -3.775 83 2HH1 ARG 10 HH1 ARG 10 -19.027 0.035 -4.879 84 1HH2 ARG 10 HH2 ARG 10 -16.851 0.420 -7.585 85 2HH2 ARG 10 HH2 ARG 10 -18.342 -0.271 -7.035 86 H ILE 11 HN ILE 11 -11.171 2.553 -1.689 87 HA ILE 11 HA ILE 11 -11.887 0.570 0.090 88 HB ILE 11 HB ILE 11 -9.234 2.080 -0.093 89 1HG1 ILE 11 HG1 ILE 11 -10.057 -0.521 -1.432 90 2HG1 ILE 11 HG1 ILE 11 -10.205 1.084 -2.201 91 1HG2 ILE 11 HMG ILE 11 -9.908 0.298 1.876 92 2HG2 ILE 11 HMG ILE 11 -9.133 -0.750 0.657 93 3HG2 ILE 11 HMG ILE 11 -8.254 0.657 1.313 94 1HD1 ILE 11 HMD ILE 11 -7.530 0.540 -1.121 95 2HD1 ILE 11 HMD ILE 11 -8.041 -0.599 -2.396 96 3HD1 ILE 11 HMD ILE 11 -8.029 1.155 -2.720 97 H ILE 12 HN ILE 12 -10.989 3.930 0.794 98 HA ILE 12 HA ILE 12 -10.816 3.598 3.585 99 HB ILE 12 HB ILE 12 -11.508 6.213 2.176 100 1HG1 ILE 12 HG1 ILE 12 -9.815 5.298 0.803 101 2HG1 ILE 12 HG1 ILE 12 -9.013 6.489 1.865 102 1HG2 ILE 12 HMG ILE 12 -11.063 5.710 4.823 103 2HG2 ILE 12 HMG ILE 12 -9.443 6.196 4.258 104 3HG2 ILE 12 HMG ILE 12 -10.837 7.282 4.012 105 1HD1 ILE 12 HMD ILE 12 -9.036 3.516 2.438 106 2HD1 ILE 12 HMD ILE 12 -7.769 4.321 1.475 107 3HD1 ILE 12 HMD ILE 12 -8.018 4.780 3.180 108 H LYS 13 HN LYS 13 -13.510 4.580 1.497 109 HA LYS 13 HA LYS 13 -15.345 5.279 3.632 110 1HB LYS 13 HBS LYS 13 -15.358 5.551 0.887 111 2HB LYS 13 HBR LYS 13 -16.506 4.209 1.155 112 1HG LYS 13 HGR LYS 13 -17.934 5.552 2.486 113 2HG LYS 13 HGS LYS 13 -16.689 6.818 2.691 114 1HD LYS 13 HDS LYS 13 -17.331 7.889 0.887 115 2HD LYS 13 HDR LYS 13 -17.175 6.450 -0.084 116 1HE LYS 13 HES LYS 13 -19.513 5.953 1.258 117 2HE LYS 13 HER LYS 13 -19.558 7.719 0.995 118 1HZ LYS 13 HZB LYS 13 -18.686 6.382 -1.312 119 2HZ LYS 13 HZC LYS 13 -20.121 5.768 -0.831 120 3HZ LYS 13 HZA LYS 13 -19.972 7.369 -1.118 121 H ASP 14 HN ASP 14 -14.597 2.380 1.702 122 HA ASP 14 HA ASP 14 -16.396 0.660 2.772 123 1HB ASP 14 HBS ASP 14 -14.794 0.228 0.912 124 2HB ASP 14 HBR ASP 14 -13.558 -0.130 2.153 125 H ALA 15 HN ALA 15 -13.311 1.624 4.194 126 HA ALA 15 HA ALA 15 -13.412 0.232 6.604 127 1HB ALA 15 HMB ALA 15 -11.942 2.337 5.513 128 2HB ALA 15 HMB ALA 15 -12.663 3.005 7.000 129 3HB ALA 15 HMB ALA 15 -11.672 1.526 7.076 130 H GLY 16 HN GLY 16 -15.035 3.281 5.718 131 1HA GLY 16 HAR GLY 16 -17.236 3.649 6.834 132 2HA GLY 16 HAS GLY 16 -16.418 3.271 8.373 133 H ALA 17 HN ALA 17 -14.539 4.980 6.041 134 HA ALA 17 HA ALA 17 -14.168 7.294 7.501 135 1HB ALA 17 HMB ALA 17 -13.107 6.302 5.258 136 2HB ALA 17 HMB ALA 17 -14.146 7.560 4.539 137 3HB ALA 17 HMB ALA 17 -12.920 8.003 5.753 138 H GLU 18 HN GLU 18 -15.325 8.999 7.985 139 HA GLU 18 HA GLU 18 -18.118 9.152 7.092 140 1HB GLU 18 HBS GLU 18 -16.683 9.692 9.321 141 2HB GLU 18 HBR GLU 18 -16.803 11.256 8.722 142 1HG GLU 18 HGS GLU 18 -19.373 10.646 8.467 143 2HG GLU 18 HGR GLU 18 -19.021 9.342 9.632 144 H ARG 19 HN ARG 19 -15.624 11.694 7.436 145 HA ARG 19 HA ARG 19 -16.002 12.379 4.572 146 1HB ARG 19 HBR ARG 19 -16.291 14.174 6.925 147 2HB ARG 19 HBS ARG 19 -15.318 14.791 5.557 148 1HG ARG 19 HGS ARG 19 -17.145 15.246 4.368 149 2HG ARG 19 HGR ARG 19 -17.798 13.602 4.624 150 1HD ARG 19 HDS ARG 19 -17.931 15.783 6.698 151 2HD ARG 19 HDR ARG 19 -19.198 15.516 5.467 152 HE ARG 19 HE ARG 19 -18.662 13.892 7.822 153 1HH1 ARG 19 HH1 ARG 19 -19.892 13.743 4.522 154 2HH1 ARG 19 HH1 ARG 19 -21.060 12.520 4.896 155 1HH2 ARG 19 HH2 ARG 19 -20.288 12.388 8.302 156 2HH2 ARG 19 HH2 ARG 19 -21.284 11.752 7.035 157 H VAL 20 HN VAL 20 -14.170 12.705 3.484 158 HA VAL 20 HA VAL 20 -11.640 12.760 5.013 159 HB VAL 20 HB VAL 20 -12.169 10.954 2.643 160 1HG1 VAL 20 HMG VAL 20 -9.896 11.804 2.581 161 2HG1 VAL 20 HMG VAL 20 -9.644 11.326 4.277 162 3HG1 VAL 20 HMG VAL 20 -9.902 10.081 3.030 163 1HG2 VAL 20 HMG VAL 20 -13.181 10.191 4.784 164 2HG2 VAL 20 HMG VAL 20 -11.943 9.094 4.128 165 3HG2 VAL 20 HMG VAL 20 -11.549 10.163 5.496 166 H SER 21 HN SER 21 -10.251 14.218 4.337 167 HA SER 21 HA SER 21 -10.850 15.928 2.051 168 1HB SER 21 HBS SER 21 -8.864 17.123 2.628 169 2HB SER 21 HBR SER 21 -9.802 16.810 4.116 170 HG SER 21 HG SER 21 -7.248 16.065 3.266 171 H ASP 22 HN ASP 22 -9.992 15.867 0.086 172 HA ASP 22 HA ASP 22 -9.115 13.387 -0.880 173 1HB ASP 22 HBS ASP 22 -8.681 15.932 -2.405 174 2HB ASP 22 HBR ASP 22 -9.093 14.295 -2.993 175 H ASP 23 HN ASP 23 -7.367 15.878 0.641 176 HA ASP 23 HA ASP 23 -4.825 15.088 -0.467 177 1HB ASP 23 HBR ASP 23 -5.725 17.095 1.549 178 2HB ASP 23 HBS ASP 23 -4.004 16.621 1.474 179 H ALA 24 HN ALA 24 -6.802 14.032 2.131 180 HA ALA 24 HA ALA 24 -4.732 12.429 3.448 181 1HB ALA 24 HMB ALA 24 -7.540 13.014 3.815 182 2HB ALA 24 HMB ALA 24 -7.250 11.257 3.822 183 3HB ALA 24 HMB ALA 24 -6.360 12.312 4.949 184 H ARG 25 HN ARG 25 -7.297 12.027 1.000 185 HA ARG 25 HA ARG 25 -6.922 9.380 0.396 186 1HB ARG 25 HBS ARG 25 -8.182 11.641 -0.854 187 2HB ARG 25 HBR ARG 25 -7.350 10.662 -2.097 188 1HG ARG 25 HGS ARG 25 -8.863 9.015 -1.972 189 2HG ARG 25 HGR ARG 25 -8.886 9.050 -0.185 190 1HD ARG 25 HDS ARG 25 -11.054 9.603 -1.207 191 2HD ARG 25 HDR ARG 25 -10.389 10.912 -0.190 192 HE ARG 25 HE ARG 25 -9.563 11.432 -2.811 193 1HH1 ARG 25 HH1 ARG 25 -12.691 10.917 -1.267 194 2HH1 ARG 25 HH1 ARG 25 -13.484 12.123 -2.224 195 1HH2 ARG 25 HH2 ARG 25 -10.605 13.091 -3.952 196 2HH2 ARG 25 HH2 ARG 25 -12.305 13.350 -3.746 197 H ILE 26 HN ILE 26 -5.001 12.135 -0.704 198 HA ILE 26 HA ILE 26 -3.443 10.487 -2.508 199 HB ILE 26 HB ILE 26 -4.129 12.928 -2.863 200 1HG1 ILE 26 HG1 ILE 26 -1.684 13.439 -3.783 201 2HG1 ILE 26 HG1 ILE 26 -1.405 11.742 -3.297 202 1HG2 ILE 26 HMG ILE 26 -2.698 13.340 -0.465 203 2HG2 ILE 26 HMG ILE 26 -1.759 14.110 -1.771 204 3HG2 ILE 26 HMG ILE 26 -3.469 14.552 -1.522 205 1HD1 ILE 26 HMD ILE 26 -3.565 11.262 -4.669 206 2HD1 ILE 26 HMD ILE 26 -3.235 12.851 -5.411 207 3HD1 ILE 26 HMD ILE 26 -2.024 11.546 -5.523 208 H THR 27 HN THR 27 -3.135 11.736 0.754 209 HA THR 27 HA THR 27 -0.292 11.343 1.066 210 HB THR 27 HB THR 27 -2.580 11.504 3.106 211 HG1 THR 27 HG1 THR 27 -2.222 13.310 3.168 212 1HG2 THR 27 HMG THR 27 0.406 11.480 3.612 213 2HG2 THR 27 HMG THR 27 -0.836 11.930 4.807 214 3HG2 THR 27 HMG THR 27 -0.785 10.272 4.157 215 H LEU 28 HN LEU 28 -3.208 9.409 1.758 216 HA LEU 28 HA LEU 28 -1.954 6.967 2.424 217 1HB LEU 28 HBR LEU 28 -4.478 7.962 2.169 218 2HB LEU 28 HBS LEU 28 -4.383 6.914 0.730 219 HG LEU 28 HG LEU 28 -4.244 4.968 1.980 220 1HD1 LEU 28 HMD LEU 28 -3.031 6.699 4.028 221 2HD1 LEU 28 HMD LEU 28 -4.179 5.498 4.671 222 3HD1 LEU 28 HMD LEU 28 -2.792 4.966 3.688 223 1HD2 LEU 28 HMD LEU 28 -6.038 7.027 3.259 224 2HD2 LEU 28 HMD LEU 28 -6.445 5.734 2.101 225 3HD2 LEU 28 HMD LEU 28 -6.040 5.325 3.787 226 H ALA 29 HN ALA 29 -2.958 8.281 -0.748 227 HA ALA 29 HA ALA 29 -2.117 6.159 -2.317 228 1HB ALA 29 HMB ALA 29 -3.163 8.704 -2.724 229 2HB ALA 29 HMB ALA 29 -1.625 8.709 -3.623 230 3HB ALA 29 HMB ALA 29 -2.847 7.456 -3.957 231 H LYS 30 HN LYS 30 -0.238 9.059 -1.390 232 HA LYS 30 HA LYS 30 2.115 8.239 -2.741 233 1HB LYS 30 HBR LYS 30 1.309 10.404 -0.920 234 2HB LYS 30 HBS LYS 30 3.017 9.908 -0.744 235 1HG LYS 30 HGR LYS 30 3.584 11.006 -2.606 236 2HG LYS 30 HGS LYS 30 2.332 10.147 -3.549 237 1HD LYS 30 HDS LYS 30 0.706 11.830 -2.397 238 2HD LYS 30 HDR LYS 30 2.153 12.751 -2.092 239 1HE LYS 30 HES LYS 30 1.175 13.572 -4.099 240 2HE LYS 30 HER LYS 30 2.686 12.707 -4.501 241 1HZ LYS 30 HZC LYS 30 0.695 10.848 -4.609 242 2HZ LYS 30 HZA LYS 30 0.061 12.162 -5.342 243 3HZ LYS 30 HZB LYS 30 1.469 11.528 -5.877 244 H ILE 31 HN ILE 31 0.890 7.652 0.498 245 HA ILE 31 HA ILE 31 3.140 6.217 1.557 246 HB ILE 31 HB ILE 31 0.135 6.232 2.025 247 1HG1 ILE 31 HG1 ILE 31 2.123 6.798 4.171 248 2HG1 ILE 31 HG1 ILE 31 2.073 7.939 2.796 249 1HG2 ILE 31 HMG ILE 31 1.719 3.982 2.598 250 2HG2 ILE 31 HMG ILE 31 1.483 4.834 4.147 251 3HG2 ILE 31 HMG ILE 31 0.071 4.350 3.171 252 1HD1 ILE 31 HMD ILE 31 -0.599 7.322 3.739 253 2HD1 ILE 31 HMD ILE 31 0.427 7.935 5.063 254 3HD1 ILE 31 HMD ILE 31 0.221 8.898 3.576 255 H LEU 32 HN LEU 32 0.080 4.875 0.302 256 HA LEU 32 HA LEU 32 0.872 2.297 0.472 257 1HB LEU 32 HBS LEU 32 -1.263 3.856 -0.730 258 2HB LEU 32 HBR LEU 32 -0.965 2.345 -1.635 259 HG LEU 32 HG LEU 32 -2.772 2.229 0.105 260 1HD1 LEU 32 HMD LEU 32 -0.543 0.471 -0.455 261 2HD1 LEU 32 HMD LEU 32 -1.150 0.204 1.199 262 3HD1 LEU 32 HMD LEU 32 -2.261 0.080 -0.188 263 1HD2 LEU 32 HMD LEU 32 -0.373 2.707 1.874 264 2HD2 LEU 32 HMD LEU 32 -1.978 3.479 1.919 265 3HD2 LEU 32 HMD LEU 32 -1.787 1.790 2.450 266 H GLU 33 HN GLU 33 1.497 4.472 -2.200 267 HA GLU 33 HA GLU 33 2.761 2.591 -3.961 268 1HB GLU 33 HBR GLU 33 2.100 5.204 -4.024 269 2HB GLU 33 HBS GLU 33 3.684 5.365 -3.495 270 1HG GLU 33 HGS GLU 33 3.623 3.516 -5.706 271 2HG GLU 33 HGR GLU 33 2.976 5.098 -6.217 272 H GLU 34 HN GLU 34 4.147 4.876 -1.560 273 HA GLU 34 HA GLU 34 6.804 4.218 -2.109 274 1HB GLU 34 HBS GLU 34 5.470 6.039 -0.763 275 2HB GLU 34 HBR GLU 34 5.874 5.137 0.593 276 1HG GLU 34 HGS GLU 34 7.699 6.426 -1.463 277 2HG GLU 34 HGR GLU 34 7.593 6.939 0.243 278 H MET 35 HN MET 35 4.493 2.734 0.091 279 HA MET 35 HA MET 35 6.388 0.872 1.272 280 1HB MET 35 HBS MET 35 3.412 1.206 1.228 281 2HB MET 35 HBR MET 35 4.093 -0.386 1.650 282 1HG MET 35 HGS MET 35 5.094 2.173 2.967 283 2HG MET 35 HGR MET 35 3.640 1.336 3.560 284 1HE MET 35 HME MET 35 3.624 -1.175 3.410 285 2HE MET 35 HME MET 35 5.065 -2.174 3.091 286 3HE MET 35 HME MET 35 4.520 -1.905 4.766 287 H GLY 36 HN GLY 36 4.131 0.929 -1.471 288 1HA GLY 36 HAR GLY 36 4.336 -1.772 -2.191 289 2HA GLY 36 HAS GLY 36 3.875 -0.445 -3.295 290 H ARG 37 HN ARG 37 6.209 1.058 -3.315 291 HA ARG 37 HA ARG 37 8.058 -0.387 -4.986 292 1HB ARG 37 HBR ARG 37 7.739 2.320 -3.956 293 2HB ARG 37 HBS ARG 37 9.436 1.766 -3.865 294 1HG ARG 37 HGS ARG 37 9.477 1.321 -6.234 295 2HG ARG 37 HGR ARG 37 7.731 1.668 -6.374 296 1HD ARG 37 HDS ARG 37 8.548 3.660 -7.048 297 2HD ARG 37 HDR ARG 37 8.485 3.958 -5.287 298 HE ARG 37 HE ARG 37 10.993 3.001 -6.559 299 1HH1 ARG 37 HH1 ARG 37 9.196 5.607 -5.004 300 2HH1 ARG 37 HH1 ARG 37 10.628 6.425 -4.476 301 1HH2 ARG 37 HH2 ARG 37 12.838 4.029 -5.737 302 2HH2 ARG 37 HH2 ARG 37 12.690 5.533 -4.890 303 H ASP 38 HN ASP 38 7.808 0.367 -1.539 304 HA ASP 38 HA ASP 38 10.355 -0.477 -0.807 305 1HB ASP 38 HBR ASP 38 7.921 0.281 0.535 306 2HB ASP 38 HBS ASP 38 8.756 -1.043 1.399 307 H ILE 39 HN ILE 39 7.327 -2.372 -0.788 308 HA ILE 39 HA ILE 39 8.499 -4.738 0.261 309 HB ILE 39 HB ILE 39 6.034 -4.527 -1.537 310 1HG1 ILE 39 HG1 ILE 39 5.892 -4.445 1.470 311 2HG1 ILE 39 HG1 ILE 39 6.295 -2.958 0.565 312 1HG2 ILE 39 HMG ILE 39 6.961 -6.818 -1.014 313 2HG2 ILE 39 HMG ILE 39 6.551 -6.497 0.692 314 3HG2 ILE 39 HMG ILE 39 5.265 -6.529 -0.543 315 1HD1 ILE 39 HMD ILE 39 3.835 -4.633 0.008 316 2HD1 ILE 39 HMD ILE 39 3.860 -3.263 1.150 317 3HD1 ILE 39 HMD ILE 39 4.207 -2.989 -0.578 318 H ALA 40 HN ALA 40 7.907 -3.638 -3.076 319 HA ALA 40 HA ALA 40 8.514 -6.075 -4.354 320 1HB ALA 40 HMB ALA 40 7.765 -3.469 -5.103 321 2HB ALA 40 HMB ALA 40 9.279 -3.820 -5.975 322 3HB ALA 40 HMB ALA 40 7.887 -4.921 -6.129 323 H SER 41 HN SER 41 10.579 -3.284 -3.541 324 HA SER 41 HA SER 41 12.963 -4.317 -4.812 325 1HB SER 41 HBR SER 41 12.351 -1.875 -4.010 326 2HB SER 41 HBS SER 41 13.099 -2.445 -2.490 327 HG SER 41 HG SER 41 14.910 -2.000 -3.279 328 H GLU 42 HN GLU 42 11.343 -4.706 -1.730 329 HA GLU 42 HA GLU 42 13.423 -6.224 -0.418 330 1HB GLU 42 HBS GLU 42 10.656 -5.472 -0.140 331 2HB GLU 42 HBR GLU 42 10.836 -7.066 0.354 332 1HG GLU 42 HGR GLU 42 11.107 -5.417 2.289 333 2HG GLU 42 HGS GLU 42 12.570 -6.394 1.984 334 H ALA 43 HN ALA 43 10.510 -7.077 -2.327 335 HA ALA 43 HA ALA 43 11.107 -9.840 -2.496 336 1HB ALA 43 HMB ALA 43 8.928 -8.494 -2.972 337 2HB ALA 43 HMB ALA 43 9.568 -8.406 -4.633 338 3HB ALA 43 HMB ALA 43 9.277 -9.991 -3.873 339 H ILE 44 HN ILE 44 12.532 -7.147 -4.041 340 HA ILE 44 HA ILE 44 13.327 -8.573 -6.375 341 HB ILE 44 HB ILE 44 13.047 -5.930 -5.607 342 1HG1 ILE 44 HG1 ILE 44 14.422 -5.927 -8.083 343 2HG1 ILE 44 HG1 ILE 44 13.583 -7.501 -7.958 344 1HG2 ILE 44 HMG ILE 44 15.401 -5.925 -4.678 345 2HG2 ILE 44 HMG ILE 44 15.960 -6.085 -6.364 346 3HG2 ILE 44 HMG ILE 44 14.982 -4.675 -5.878 347 1HD1 ILE 44 HMD ILE 44 11.678 -5.702 -7.081 348 2HD1 ILE 44 HMD ILE 44 12.502 -4.814 -8.390 349 3HD1 ILE 44 HMD ILE 44 11.778 -6.412 -8.714 350 H LYS 45 HN LYS 45 15.248 -7.354 -3.595 351 HA LYS 45 HA LYS 45 17.563 -8.904 -4.004 352 1HB LYS 45 HBS LYS 45 16.849 -7.107 -2.153 353 2HB LYS 45 HBR LYS 45 16.543 -8.601 -1.220 354 1HG LYS 45 HGR LYS 45 18.996 -9.180 -2.196 355 2HG LYS 45 HGS LYS 45 19.114 -7.399 -2.139 356 1HD LYS 45 HDS LYS 45 19.968 -8.194 -0.102 357 2HD LYS 45 HDR LYS 45 18.433 -7.428 0.199 358 1HE LYS 45 HES LYS 45 18.063 -10.251 -0.295 359 2HE LYS 45 HER LYS 45 19.229 -9.947 1.023 360 1HZ LYS 45 HZB LYS 45 17.460 -8.332 1.823 361 2HZ LYS 45 HZC LYS 45 16.430 -9.141 0.846 362 3HZ LYS 45 HZA LYS 45 17.197 -9.929 2.054 363 H LEU 46 HN LEU 46 14.372 -9.760 -2.827 364 HA LEU 46 HA LEU 46 15.017 -12.305 -1.654 365 1HB LEU 46 HBR LEU 46 12.604 -10.831 -2.621 366 2HB LEU 46 HBS LEU 46 12.481 -12.599 -2.392 367 HG LEU 46 HG LEU 46 13.442 -10.754 -0.206 368 1HD1 LEU 46 HMD LEU 46 10.660 -11.385 -1.136 369 2HD1 LEU 46 HMD LEU 46 10.985 -11.247 0.611 370 3HD1 LEU 46 HMD LEU 46 11.328 -9.873 -0.472 371 1HD2 LEU 46 HMD LEU 46 12.855 -13.611 -0.605 372 2HD2 LEU 46 HMD LEU 46 13.881 -12.804 0.608 373 3HD2 LEU 46 HMD LEU 46 12.120 -12.912 0.859 374 H ALA 47 HN ALA 47 13.853 -11.297 -4.885 375 HA ALA 47 HA ALA 47 13.754 -13.961 -5.895 376 1HB ALA 47 HMB ALA 47 13.187 -11.260 -6.813 377 2HB ALA 47 HMB ALA 47 13.925 -12.262 -8.087 378 3HB ALA 47 HMB ALA 47 12.442 -12.814 -7.268 379 H ARG 48 HN ARG 48 16.213 -11.439 -5.892 380 HA ARG 48 HA ARG 48 18.089 -12.860 -7.598 381 1HB ARG 48 HBS ARG 48 17.952 -10.313 -6.364 382 2HB ARG 48 HBR ARG 48 19.381 -11.145 -5.684 383 1HG ARG 48 HGS ARG 48 20.510 -10.513 -7.495 384 2HG ARG 48 HGR ARG 48 19.491 -11.631 -8.446 385 1HD ARG 48 HDS ARG 48 19.000 -9.771 -9.586 386 2HD ARG 48 HDR ARG 48 17.829 -9.534 -8.259 387 HE ARG 48 HE ARG 48 20.337 -8.059 -8.694 388 1HH1 ARG 48 HH1 ARG 48 17.392 -8.548 -6.819 389 2HH1 ARG 48 HH1 ARG 48 17.664 -7.155 -5.825 390 1HH2 ARG 48 HH2 ARG 48 20.724 -6.322 -7.291 391 2HH2 ARG 48 HH2 ARG 48 19.548 -5.894 -6.094 392 H HIS 49 HN HIS 49 17.583 -12.437 -4.087 393 HA HIS 49 HA HIS 49 19.675 -14.056 -3.214 394 1HB HIS 49 HBS HIS 49 18.303 -12.615 -1.699 395 2HB HIS 49 HBR HIS 49 16.974 -13.803 -1.822 396 HD1 HIS 49 HD1 HIS 49 20.683 -14.682 -1.387 397 HD2 HIS 49 HD2 HIS 49 17.090 -14.793 0.716 398 HE1 HIS 49 HE1 HIS 49 21.099 -16.083 0.649 399 HE2 HIS 49 HE2 HIS 49 18.923 -16.169 1.916 400 H ALA 50 HN ALA 50 16.499 -14.931 -4.427 401 HA ALA 50 HA ALA 50 16.602 -17.750 -3.826 402 1HB ALA 50 HMB ALA 50 14.747 -16.049 -4.888 403 2HB ALA 50 HMB ALA 50 15.315 -16.917 -6.337 404 3HB ALA 50 HMB ALA 50 14.671 -17.829 -4.947 405 H GLY 51 HN GLY 51 17.584 -15.726 -6.604 406 1HA GLY 51 HAR GLY 51 19.463 -16.215 -8.043 407 2HA GLY 51 HAS GLY 51 19.337 -17.932 -7.576 408 H ARG 52 HN ARG 52 16.601 -15.825 -8.354 409 HA ARG 52 HA ARG 52 16.538 -16.705 -11.134 410 1HB ARG 52 HBR ARG 52 13.967 -17.167 -10.771 411 2HB ARG 52 HBS ARG 52 15.192 -18.457 -10.598 412 1HG ARG 52 HGS ARG 52 14.488 -18.869 -8.533 413 2HG ARG 52 HGR ARG 52 14.850 -17.185 -8.057 414 1HD ARG 52 HDS ARG 52 12.499 -17.929 -7.674 415 2HD ARG 52 HDR ARG 52 12.688 -16.457 -8.668 416 HE ARG 52 HE ARG 52 11.854 -17.612 -10.510 417 1HH1 ARG 52 HH1 ARG 52 12.125 -19.744 -7.715 418 2HH1 ARG 52 HH1 ARG 52 11.367 -21.076 -8.521 419 1HH2 ARG 52 HH2 ARG 52 10.985 -19.416 -11.573 420 2HH2 ARG 52 HH2 ARG 52 10.721 -20.891 -10.704 421 H LYS 53 HN LYS 53 15.793 -15.144 -12.396 422 HA LYS 53 HA LYS 53 15.710 -12.554 -11.367 423 1HB LYS 53 HBR LYS 53 14.736 -13.617 -14.037 424 2HB LYS 53 HBS LYS 53 14.860 -11.882 -13.626 425 1HG LYS 53 HGR LYS 53 17.319 -13.472 -13.152 426 2HG LYS 53 HGS LYS 53 16.821 -13.327 -14.862 427 1HD LYS 53 HDS LYS 53 17.744 -11.345 -14.952 428 2HD LYS 53 HDR LYS 53 16.514 -10.777 -13.857 429 1HE LYS 53 HES LYS 53 18.833 -10.234 -13.152 430 2HE LYS 53 HER LYS 53 17.860 -11.130 -11.950 431 1HZ LYS 53 HZC LYS 53 19.264 -12.889 -13.629 432 2HZ LYS 53 HZA LYS 53 20.303 -11.834 -12.938 433 3HZ LYS 53 HZB LYS 53 19.324 -12.747 -12.003 434 H THR 54 HN THR 54 13.043 -14.679 -12.393 435 HA THR 54 HA THR 54 11.064 -12.673 -12.432 436 HB THR 54 HB THR 54 10.626 -15.682 -12.005 437 HG1 THR 54 HG1 THR 54 10.802 -14.077 -14.192 438 1HG2 THR 54 HMG THR 54 8.729 -13.692 -12.035 439 2HG2 THR 54 HMG THR 54 8.742 -14.247 -13.729 440 3HG2 THR 54 HMG THR 54 8.454 -15.413 -12.411 441 H ILE 55 HN ILE 55 9.998 -11.662 -10.917 442 HA ILE 55 HA ILE 55 9.915 -12.745 -8.157 443 HB ILE 55 HB ILE 55 9.110 -10.029 -9.309 444 1HG1 ILE 55 HG1 ILE 55 11.222 -10.288 -7.225 445 2HG1 ILE 55 HG1 ILE 55 11.610 -10.964 -8.832 446 1HG2 ILE 55 HMG ILE 55 7.721 -10.870 -7.339 447 2HG2 ILE 55 HMG ILE 55 9.211 -10.698 -6.374 448 3HG2 ILE 55 HMG ILE 55 8.501 -9.275 -7.182 449 1HD1 ILE 55 HMD ILE 55 10.543 -8.494 -9.446 450 2HD1 ILE 55 HMD ILE 55 11.445 -8.178 -7.940 451 3HD1 ILE 55 HMD ILE 55 12.278 -8.893 -9.347 452 H LYS 56 HN LYS 56 7.867 -12.848 -7.076 453 HA LYS 56 HA LYS 56 5.484 -13.337 -8.718 454 1HB LYS 56 HBS LYS 56 7.249 -15.323 -8.846 455 2HB LYS 56 HBR LYS 56 6.534 -15.726 -7.258 456 1HG LYS 56 HGR LYS 56 4.311 -15.250 -8.852 457 2HG LYS 56 HGS LYS 56 5.445 -16.063 -9.967 458 1HD LYS 56 HDS LYS 56 4.644 -17.948 -9.144 459 2HD LYS 56 HDR LYS 56 5.738 -17.626 -7.827 460 1HE LYS 56 HES LYS 56 3.961 -17.878 -6.515 461 2HE LYS 56 HER LYS 56 3.573 -16.210 -7.022 462 1HZ LYS 56 HZA LYS 56 2.591 -18.653 -8.329 463 2HZ LYS 56 HZB LYS 56 1.723 -17.706 -7.321 464 3HZ LYS 56 HZC LYS 56 2.221 -17.122 -8.763 465 H ALA 57 HN ALA 57 3.775 -14.401 -7.358 466 HA ALA 57 HA ALA 57 3.296 -12.922 -5.071 467 1HB ALA 57 HMB ALA 57 1.622 -14.141 -6.460 468 2HB ALA 57 HMB ALA 57 2.124 -15.652 -5.659 469 3HB ALA 57 HMB ALA 57 1.401 -14.333 -4.703 470 H GLU 58 HN GLU 58 5.204 -15.777 -5.423 471 HA GLU 58 HA GLU 58 5.289 -16.419 -2.590 472 1HB GLU 58 HBS GLU 58 6.042 -17.444 -5.077 473 2HB GLU 58 HBR GLU 58 7.505 -17.295 -4.269 474 1HG GLU 58 HGS GLU 58 6.857 -18.837 -2.576 475 2HG GLU 58 HGR GLU 58 5.112 -18.631 -2.884 476 H ASP 59 HN ASP 59 7.444 -14.798 -4.941 477 HA ASP 59 HA ASP 59 9.386 -13.913 -3.108 478 1HB ASP 59 HBR ASP 59 8.569 -12.301 -5.503 479 2HB ASP 59 HBS ASP 59 10.174 -12.488 -4.741 480 H ILE 60 HN ILE 60 6.335 -12.394 -4.136 481 HA ILE 60 HA ILE 60 6.784 -9.910 -2.885 482 HB ILE 60 HB ILE 60 4.174 -11.333 -3.599 483 1HG1 ILE 60 HG1 ILE 60 5.491 -11.097 -5.546 484 2HG1 ILE 60 HG1 ILE 60 4.276 -9.790 -5.602 485 1HG2 ILE 60 HMG ILE 60 4.687 -8.526 -2.662 486 2HG2 ILE 60 HMG ILE 60 3.321 -8.902 -3.745 487 3HG2 ILE 60 HMG ILE 60 3.435 -9.689 -2.149 488 1HD1 ILE 60 HMD ILE 60 6.269 -8.435 -4.445 489 2HD1 ILE 60 HMD ILE 60 7.237 -9.649 -5.321 490 3HD1 ILE 60 HMD ILE 60 6.108 -8.596 -6.214 491 H GLU 61 HN GLU 61 4.650 -12.576 -1.784 492 HA GLU 61 HA GLU 61 3.982 -11.395 0.682 493 1HB GLU 61 HBR GLU 61 4.071 -14.240 -0.324 494 2HB GLU 61 HBS GLU 61 3.618 -13.867 1.248 495 1HG GLU 61 HGS GLU 61 1.787 -12.475 0.623 496 2HG GLU 61 HGR GLU 61 2.141 -12.633 -1.119 497 H LEU 62 HN LEU 62 6.703 -13.428 -0.281 498 HA LEU 62 HA LEU 62 7.939 -13.758 2.255 499 1HB LEU 62 HBR LEU 62 8.647 -13.871 -0.614 500 2HB LEU 62 HBS LEU 62 10.003 -13.518 0.496 501 HG LEU 62 HG LEU 62 9.582 -15.587 1.703 502 1HD1 LEU 62 HMD LEU 62 7.035 -15.446 0.772 503 2HD1 LEU 62 HMD LEU 62 7.730 -16.632 -0.359 504 3HD1 LEU 62 HMD LEU 62 7.791 -16.933 1.395 505 1HD2 LEU 62 HMD LEU 62 10.817 -15.276 -0.644 506 2HD2 LEU 62 HMD LEU 62 10.686 -16.860 0.160 507 3HD2 LEU 62 HMD LEU 62 9.566 -16.436 -1.160 508 H ALA 63 HN ALA 63 8.288 -11.192 -0.218 509 HA ALA 63 HA ALA 63 10.054 -9.577 1.124 510 1HB ALA 63 HMB ALA 63 9.249 -9.311 -1.214 511 2HB ALA 63 HMB ALA 63 7.751 -8.587 -0.575 512 3HB ALA 63 HMB ALA 63 9.318 -7.788 -0.291 513 H VAL 64 HN VAL 64 6.487 -9.445 1.315 514 HA VAL 64 HA VAL 64 6.625 -7.172 2.970 515 HB VAL 64 HB VAL 64 4.864 -8.301 1.255 516 1HG1 VAL 64 HMG VAL 64 3.729 -8.828 3.982 517 2HG1 VAL 64 HMG VAL 64 2.659 -8.304 2.660 518 3HG1 VAL 64 HMG VAL 64 3.634 -9.783 2.483 519 1HG2 VAL 64 HMG VAL 64 5.070 -5.894 2.820 520 2HG2 VAL 64 HMG VAL 64 4.427 -6.159 1.181 521 3HG2 VAL 64 HMG VAL 64 3.362 -6.346 2.595 522 H ARG 65 HN ARG 65 5.284 -10.403 3.773 523 HA ARG 65 HA ARG 65 5.158 -10.087 6.494 524 1HB ARG 65 HBS ARG 65 4.697 -12.151 4.790 525 2HB ARG 65 HBR ARG 65 6.141 -12.749 5.656 526 1HG ARG 65 HGS ARG 65 4.681 -11.924 7.760 527 2HG ARG 65 HGR ARG 65 3.358 -12.309 6.623 528 1HD ARG 65 HDS ARG 65 3.576 -14.422 7.201 529 2HD ARG 65 HDR ARG 65 5.169 -14.416 6.394 530 HE ARG 65 HE ARG 65 5.926 -13.534 8.754 531 1HH1 ARG 65 HH1 ARG 65 3.734 -16.178 7.954 532 2HH1 ARG 65 HH1 ARG 65 3.929 -16.949 9.492 533 1HH2 ARG 65 HH2 ARG 65 6.054 -14.503 10.800 534 2HH2 ARG 65 HH2 ARG 65 5.243 -16.002 11.103 535 H ARG 66 HN ARG 66 8.002 -10.276 4.580 536 HA ARG 66 HA ARG 66 9.704 -10.966 6.919 537 1HB ARG 66 HBR ARG 66 10.238 -12.171 4.866 538 2HB ARG 66 HBS ARG 66 10.433 -10.625 3.990 539 1HG ARG 66 HGS ARG 66 12.607 -11.532 4.536 540 2HG ARG 66 HGR ARG 66 12.321 -10.050 5.491 541 1HD ARG 66 HDS ARG 66 13.185 -11.468 7.064 542 2HD ARG 66 HDR ARG 66 11.428 -11.703 7.281 543 HE ARG 66 HE ARG 66 11.705 -13.896 6.654 544 1HH1 ARG 66 HH1 ARG 66 14.303 -12.038 5.163 545 2HH1 ARG 66 HH1 ARG 66 15.184 -13.450 4.683 546 1HH2 ARG 66 HH2 ARG 66 12.949 -15.715 6.127 547 2HH2 ARG 66 HH2 ARG 66 14.420 -15.531 5.230 548 H PHE 67 HN PHE 67 8.427 -8.361 5.113 549 HA PHE 67 HA PHE 67 10.277 -6.294 5.939 550 1HB PHE 67 HBS PHE 67 7.930 -6.302 4.423 551 2HB PHE 67 HBR PHE 67 7.449 -5.505 5.950 552 HD1 PHE 67 HD1 PHE 67 8.700 -3.605 6.774 553 HD2 PHE 67 HD2 PHE 67 9.315 -5.076 2.822 554 HE1 PHE 67 HE1 PHE 67 9.566 -1.408 6.112 555 HE2 PHE 67 HE2 PHE 67 10.174 -2.863 2.126 556 HZ PHE 67 HZ PHE 67 10.402 -1.064 3.817 557 H LYS 68 HN LYS 68 6.978 -6.887 7.150 558 HA LYS 68 HA LYS 68 6.121 -7.157 9.262 559 1HB LYS 68 HBS LYS 68 7.503 -9.197 8.760 560 2HB LYS 68 HBR LYS 68 8.818 -8.465 9.724 561 1HG LYS 68 HGR LYS 68 7.832 -8.983 11.690 562 2HG LYS 68 HGS LYS 68 6.201 -8.562 11.097 563 1HD LYS 68 HDS LYS 68 5.698 -10.686 10.963 564 2HD LYS 68 HDR LYS 68 6.874 -10.841 9.687 565 1HE LYS 68 HES LYS 68 8.277 -10.893 12.168 566 2HE LYS 68 HER LYS 68 6.902 -12.031 12.236 567 1HZ LYS 68 HZB LYS 68 8.780 -11.962 9.986 568 2HZ LYS 68 HZC LYS 68 9.022 -12.904 11.298 569 3HZ LYS 68 HZA LYS 68 7.703 -13.130 10.363 570 H LYS 69 HN LYS 69 8.012 -4.759 8.823 571 HA LYS 69 HA LYS 69 9.161 -3.153 9.990 572 1HB LYS 69 HBS LYS 69 7.311 -3.146 11.612 573 2HB LYS 69 HBR LYS 69 8.069 -4.512 12.478 574 1HG LYS 69 HGR LYS 69 9.569 -1.923 12.049 575 2HG LYS 69 HGS LYS 69 8.399 -2.098 13.388 576 1HD LYS 69 HDS LYS 69 9.912 -4.387 13.593 577 2HD LYS 69 HDR LYS 69 11.080 -3.214 13.049 578 1HE LYS 69 HES LYS 69 10.903 -1.899 14.922 579 2HE LYS 69 HER LYS 69 9.258 -2.489 15.288 580 1HZ LYS 69 HZB LYS 69 10.497 -4.698 15.609 581 2HZ LYS 69 HZC LYS 69 11.818 -3.762 15.819 582 3HZ LYS 69 HZA LYS 69 10.527 -3.583 16.803 583 1H MET 1 HNC MET 1 -11.210 -4.434 -8.844 584 2H MET 1 HN MET 1 -12.832 -4.311 -8.698 585 3H MET 1 HNB MET 1 -11.954 -3.018 -9.174 586 HA MET 1 HA MET 1 -12.296 -2.436 -7.074 587 1HB MET 1 HBS MET 1 -12.469 -3.946 -5.220 588 2HB MET 1 HBR MET 1 -13.560 -4.465 -6.525 589 1HG MET 1 HGS MET 1 -10.760 -5.640 -6.292 590 2HG MET 1 HGR MET 1 -12.066 -6.220 -5.237 591 1HE MET 1 HME MET 1 -12.783 -8.432 -5.903 592 2HE MET 1 HME MET 1 -12.689 -9.129 -7.541 593 3HE MET 1 HME MET 1 -11.206 -8.576 -6.721 594 H GLU 2 HN GLU 2 -10.800 -1.806 -5.509 595 HA GLU 2 HA GLU 2 -8.758 -1.422 -4.541 596 1HB GLU 2 HBR GLU 2 -8.549 -4.343 -5.291 597 2HB GLU 2 HBS GLU 2 -7.332 -3.511 -4.489 598 1HG GLU 2 HGS GLU 2 -8.219 -3.864 -2.528 599 2HG GLU 2 HGR GLU 2 -9.624 -2.849 -2.949 600 H LEU 3 HN LEU 3 -6.228 -2.184 -5.002 601 HA LEU 3 HA LEU 3 -5.589 -0.277 -6.937 602 1HB LEU 3 HBR LEU 3 -3.679 -2.407 -5.982 603 2HB LEU 3 HBS LEU 3 -3.358 -0.689 -6.349 604 HG LEU 3 HG LEU 3 -4.830 -1.788 -3.940 605 1HD1 LEU 3 HMD LEU 3 -2.063 -1.355 -4.504 606 2HD1 LEU 3 HMD LEU 3 -2.595 -0.118 -3.337 607 3HD1 LEU 3 HMD LEU 3 -2.826 -1.846 -2.971 608 1HD2 LEU 3 HMD LEU 3 -5.695 0.372 -4.873 609 2HD2 LEU 3 HMD LEU 3 -5.014 0.503 -3.233 610 3HD2 LEU 3 HMD LEU 3 -4.072 1.065 -4.636 611 HA PRO 4 HA PRO 4 -5.245 -2.506 -10.768 612 1HB PRO 4 HBR PRO 4 -3.711 -0.564 -11.884 613 2HB PRO 4 HBS PRO 4 -5.325 -0.763 -12.102 614 1HG PRO 4 HGS PRO 4 -4.106 1.264 -10.784 615 2HG PRO 4 HGR PRO 4 -5.749 1.020 -10.937 616 1HD PRO 4 HDS PRO 4 -4.113 0.506 -8.721 617 2HD PRO 4 HDR PRO 4 -5.763 0.615 -8.777 618 H ILE 5 HN ILE 5 -3.714 -3.584 -12.039 619 HA ILE 5 HA ILE 5 -1.347 -4.180 -10.419 620 HB ILE 5 HB ILE 5 -1.192 -6.201 -11.828 621 1HG1 ILE 5 HG1 ILE 5 -3.421 -6.411 -13.383 622 2HG1 ILE 5 HG1 ILE 5 -3.097 -4.659 -13.510 623 1HG2 ILE 5 HMG ILE 5 -2.860 -5.968 -9.870 624 2HG2 ILE 5 HMG ILE 5 -4.109 -5.983 -11.143 625 3HG2 ILE 5 HMG ILE 5 -2.998 -7.367 -10.966 626 1HD1 ILE 5 HMD ILE 5 -1.056 -6.824 -14.089 627 2HD1 ILE 5 HMD ILE 5 -2.066 -6.025 -15.323 628 3HD1 ILE 5 HMD ILE 5 -0.891 -5.072 -14.378 629 H ALA 6 HN ALA 6 -2.168 -2.432 -13.249 630 HA ALA 6 HA ALA 6 0.325 -2.771 -14.701 631 1HB ALA 6 HMB ALA 6 -2.086 -0.996 -14.895 632 2HB ALA 6 HMB ALA 6 -0.587 -0.545 -15.747 633 3HB ALA 6 HMB ALA 6 -1.379 -2.103 -16.099 634 HA PRO 7 HA PRO 7 1.139 1.549 -12.521 635 1HB PRO 7 HBR PRO 7 -0.422 1.738 -10.307 636 2HB PRO 7 HBS PRO 7 -0.507 2.700 -11.635 637 1HG PRO 7 HGS PRO 7 -2.223 0.644 -10.879 638 2HG PRO 7 HGR PRO 7 -2.499 1.878 -11.967 639 1HD PRO 7 HDS PRO 7 -2.058 -0.664 -12.647 640 2HD PRO 7 HDR PRO 7 -1.895 0.625 -13.671 641 H ILE 8 HN ILE 8 -0.031 -0.833 -10.264 642 HA ILE 8 HA ILE 8 2.207 -0.869 -8.599 643 HB ILE 8 HB ILE 8 0.288 -3.130 -9.347 644 1HG1 ILE 8 HG1 ILE 8 0.292 -1.121 -7.061 645 2HG1 ILE 8 HG1 ILE 8 -0.805 -1.136 -8.471 646 1HG2 ILE 8 HMG ILE 8 2.648 -3.202 -7.694 647 2HG2 ILE 8 HMG ILE 8 1.187 -3.510 -6.719 648 3HG2 ILE 8 HMG ILE 8 1.530 -4.515 -8.152 649 1HD1 ILE 8 HMD ILE 8 -0.942 -3.679 -7.151 650 2HD1 ILE 8 HMD ILE 8 -1.156 -2.380 -5.948 651 3HD1 ILE 8 HMD ILE 8 -2.219 -2.454 -7.378 652 H GLY 9 HN GLY 9 1.672 -2.418 -11.719 653 1HA GLY 9 HAR GLY 9 3.814 -4.151 -11.828 654 2HA GLY 9 HAS GLY 9 3.162 -3.293 -13.250 655 H ARG 10 HN ARG 10 3.783 -0.674 -12.671 656 HA ARG 10 HA ARG 10 6.588 -0.595 -13.226 657 1HB ARG 10 HBR ARG 10 4.415 1.058 -13.693 658 2HB ARG 10 HBS ARG 10 5.383 1.973 -12.502 659 1HG ARG 10 HGS ARG 10 7.257 1.050 -14.352 660 2HG ARG 10 HGR ARG 10 5.847 1.518 -15.345 661 1HD ARG 10 HDS ARG 10 6.216 3.493 -13.344 662 2HD ARG 10 HDR ARG 10 7.800 3.163 -14.097 663 HE ARG 10 HE ARG 10 5.368 4.129 -15.498 664 1HH1 ARG 10 HH1 ARG 10 8.768 3.208 -15.646 665 2HH1 ARG 10 HH1 ARG 10 9.081 4.173 -17.050 666 1HH2 ARG 10 HH2 ARG 10 5.847 5.481 -17.253 667 2HH2 ARG 10 HH2 ARG 10 7.429 5.461 -17.959 668 H ILE 11 HN ILE 11 4.679 -0.238 -10.337 669 HA ILE 11 HA ILE 11 6.567 1.151 -8.742 670 HB ILE 11 HB ILE 11 4.354 -0.820 -7.992 671 1HG1 ILE 11 HG1 ILE 11 4.396 2.221 -7.931 672 2HG1 ILE 11 HG1 ILE 11 3.724 1.238 -9.264 673 1HG2 ILE 11 HMG ILE 11 6.106 0.902 -6.258 674 2HG2 ILE 11 HMG ILE 11 4.453 0.453 -5.760 675 3HG2 ILE 11 HMG ILE 11 5.666 -0.816 -6.075 676 1HD1 ILE 11 HMD ILE 11 2.399 0.189 -7.130 677 2HD1 ILE 11 HMD ILE 11 2.601 1.884 -6.609 678 3HD1 ILE 11 HMD ILE 11 1.786 1.517 -8.153 679 H ILE 12 HN ILE 12 6.087 -2.307 -9.411 680 HA ILE 12 HA ILE 12 8.201 -3.184 -7.605 681 HB ILE 12 HB ILE 12 7.000 -4.736 -9.940 682 1HG1 ILE 12 HG1 ILE 12 5.090 -3.944 -8.801 683 2HG1 ILE 12 HG1 ILE 12 5.338 -5.622 -8.245 684 1HG2 ILE 12 HMG ILE 12 8.784 -5.375 -7.734 685 2HG2 ILE 12 HMG ILE 12 7.364 -6.452 -7.804 686 3HG2 ILE 12 HMG ILE 12 8.423 -6.279 -9.230 687 1HD1 ILE 12 HMD ILE 12 6.487 -3.380 -6.623 688 2HD1 ILE 12 HMD ILE 12 4.732 -3.698 -6.553 689 3HD1 ILE 12 HMD ILE 12 5.889 -4.982 -6.111 690 H LYS 13 HN LYS 13 7.816 -2.338 -11.016 691 HA LYS 13 HA LYS 13 10.388 -3.275 -11.928 692 1HB LYS 13 HBR LYS 13 8.184 -1.587 -12.966 693 2HB LYS 13 HBS LYS 13 9.817 -1.185 -13.567 694 1HG LYS 13 HGR LYS 13 10.040 -3.697 -14.108 695 2HG LYS 13 HGS LYS 13 8.271 -3.775 -13.869 696 1HD LYS 13 HDS LYS 13 9.022 -1.574 -15.601 697 2HD LYS 13 HDR LYS 13 9.677 -3.082 -16.177 698 1HE LYS 13 HES LYS 13 7.573 -4.098 -16.374 699 2HE LYS 13 HER LYS 13 6.798 -2.827 -15.387 700 1HZ LYS 13 HZA LYS 13 8.030 -2.347 -18.010 701 2HZ LYS 13 HZB LYS 13 6.433 -2.607 -17.785 702 3HZ LYS 13 HZC LYS 13 7.146 -1.292 -17.130 703 H ASP 14 HN ASP 14 9.092 -0.096 -10.904 704 HA ASP 14 HA ASP 14 11.404 1.315 -10.892 705 1HB ASP 14 HBS ASP 14 9.051 2.097 -10.414 706 2HB ASP 14 HBR ASP 14 9.365 1.646 -8.713 707 H ALA 15 HN ALA 15 10.273 -0.878 -8.370 708 HA ALA 15 HA ALA 15 12.353 -0.776 -6.570 709 1HB ALA 15 HMB ALA 15 10.270 -2.561 -7.242 710 2HB ALA 15 HMB ALA 15 11.766 -3.526 -7.147 711 3HB ALA 15 HMB ALA 15 11.262 -2.526 -5.761 712 H GLY 16 HN GLY 16 12.282 -2.507 -9.681 713 1HA GLY 16 HAR GLY 16 14.521 -2.580 -10.794 714 2HA GLY 16 HAS GLY 16 15.142 -3.298 -9.284 715 H ALA 17 HN ALA 17 11.936 -4.224 -10.084 716 HA ALA 17 HA ALA 17 12.593 -6.899 -10.703 717 1HB ALA 17 HMB ALA 17 10.412 -5.741 -9.807 718 2HB ALA 17 HMB ALA 17 9.981 -5.696 -11.536 719 3HB ALA 17 HMB ALA 17 10.331 -7.254 -10.745 720 H GLU 18 HN GLU 18 13.170 -7.869 -12.499 721 HA GLU 18 HA GLU 18 13.050 -6.313 -15.051 722 1HB GLU 18 HBR GLU 18 15.084 -8.115 -13.799 723 2HB GLU 18 HBS GLU 18 14.846 -8.227 -15.456 724 1HG GLU 18 HGS GLU 18 16.678 -6.697 -14.978 725 2HG GLU 18 HGR GLU 18 15.391 -5.878 -15.904 726 H ARG 19 HN ARG 19 11.175 -8.247 -13.567 727 HA ARG 19 HA ARG 19 10.138 -9.749 -15.661 728 1HB ARG 19 HBR ARG 19 12.496 -11.006 -14.494 729 2HB ARG 19 HBS ARG 19 11.033 -12.018 -14.312 730 1HG ARG 19 HGS ARG 19 10.685 -12.097 -16.665 731 2HG ARG 19 HGR ARG 19 11.900 -10.820 -16.958 732 1HD ARG 19 HDS ARG 19 13.677 -12.241 -16.375 733 2HD ARG 19 HDR ARG 19 12.574 -13.459 -15.676 734 HE ARG 19 HE ARG 19 13.143 -13.012 -18.527 735 1HH1 ARG 19 HH1 ARG 19 10.948 -14.475 -16.188 736 2HH1 ARG 19 HH1 ARG 19 10.515 -15.776 -17.246 737 1HH2 ARG 19 HH2 ARG 19 12.648 -14.796 -19.834 738 2HH2 ARG 19 HH2 ARG 19 11.474 -15.956 -19.311 739 H VAL 20 HN VAL 20 8.333 -8.930 -14.599 740 HA VAL 20 HA VAL 20 7.785 -9.990 -11.877 741 HB VAL 20 HB VAL 20 6.355 -7.713 -13.245 742 1HG1 VAL 20 HMG VAL 20 5.945 -9.109 -10.786 743 2HG1 VAL 20 HMG VAL 20 6.436 -7.438 -10.420 744 3HG1 VAL 20 HMG VAL 20 5.032 -7.743 -11.471 745 1HG2 VAL 20 HMG VAL 20 8.953 -7.488 -12.814 746 2HG2 VAL 20 HMG VAL 20 7.826 -6.147 -12.493 747 3HG2 VAL 20 HMG VAL 20 8.407 -7.162 -11.151 748 H SER 21 HN SER 21 6.416 -11.565 -11.676 749 HA SER 21 HA SER 21 4.594 -12.475 -13.726 750 1HB SER 21 HBS SER 21 3.770 -13.979 -12.154 751 2HB SER 21 HBR SER 21 5.504 -13.823 -11.753 752 HG SER 21 HG SER 21 3.711 -13.814 -10.049 753 H ASP 22 HN ASP 22 2.386 -12.197 -13.839 754 HA ASP 22 HA ASP 22 1.275 -9.688 -13.038 755 1HB ASP 22 HBS ASP 22 0.533 -10.976 -15.000 756 2HB ASP 22 HBR ASP 22 -0.208 -12.170 -13.897 757 H ASP 23 HN ASP 23 1.897 -12.588 -11.379 758 HA ASP 23 HA ASP 23 -0.178 -12.115 -9.414 759 1HB ASP 23 HBS ASP 23 1.086 -14.355 -10.394 760 2HB ASP 23 HBR ASP 23 1.741 -14.192 -8.739 761 H ALA 24 HN ALA 24 3.275 -11.620 -9.687 762 HA ALA 24 HA ALA 24 3.795 -10.870 -6.959 763 1HB ALA 24 HMB ALA 24 5.107 -10.597 -9.600 764 2HB ALA 24 HMB ALA 24 5.501 -9.347 -8.392 765 3HB ALA 24 HMB ALA 24 5.773 -11.067 -8.015 766 H ARG 25 HN ARG 25 2.755 -9.117 -9.888 767 HA ARG 25 HA ARG 25 2.497 -6.564 -8.767 768 1HB ARG 25 HBR ARG 25 1.180 -7.989 -11.057 769 2HB ARG 25 HBS ARG 25 0.530 -6.415 -10.511 770 1HG ARG 25 HGS ARG 25 2.262 -5.254 -11.375 771 2HG ARG 25 HGR ARG 25 3.460 -6.496 -10.914 772 1HD ARG 25 HDS ARG 25 3.290 -7.584 -12.867 773 2HD ARG 25 HDR ARG 25 1.544 -7.246 -13.030 774 HE ARG 25 HE ARG 25 2.357 -4.864 -13.601 775 1HH1 ARG 25 HH1 ARG 25 3.909 -7.882 -14.557 776 2HH1 ARG 25 HH1 ARG 25 4.787 -7.146 -15.857 777 1HH2 ARG 25 HH2 ARG 25 3.621 -3.913 -15.226 778 2HH2 ARG 25 HH2 ARG 25 4.625 -4.900 -16.234 779 H ILE 26 HN ILE 26 -0.057 -9.050 -9.185 780 HA ILE 26 HA ILE 26 -2.039 -7.541 -7.922 781 HB ILE 26 HB ILE 26 -2.275 -9.568 -9.481 782 1HG1 ILE 26 HG1 ILE 26 -4.089 -8.293 -8.309 783 2HG1 ILE 26 HG1 ILE 26 -4.502 -9.975 -8.748 784 1HG2 ILE 26 HMG ILE 26 -1.075 -10.964 -7.377 785 2HG2 ILE 26 HMG ILE 26 -2.787 -11.464 -7.366 786 3HG2 ILE 26 HMG ILE 26 -1.818 -11.636 -8.853 787 1HD1 ILE 26 HMD ILE 26 -3.468 -10.082 -6.127 788 2HD1 ILE 26 HMD ILE 26 -4.571 -8.680 -6.173 789 3HD1 ILE 26 HMD ILE 26 -5.160 -10.295 -6.650 790 H THR 27 HN THR 27 0.304 -9.808 -6.586 791 HA THR 27 HA THR 27 -0.973 -10.163 -4.075 792 HB THR 27 HB THR 27 1.956 -10.557 -4.907 793 HG1 THR 27 HG1 THR 27 1.422 -12.191 -5.482 794 1HG2 THR 27 HMG THR 27 1.023 -10.457 -2.280 795 2HG2 THR 27 HMG THR 27 1.075 -12.194 -2.679 796 3HG2 THR 27 HMG THR 27 2.539 -11.194 -2.858 797 H LEU 28 HN LEU 28 1.415 -7.833 -5.256 798 HA LEU 28 HA LEU 28 1.748 -6.357 -2.827 799 1HB LEU 28 HBR LEU 28 2.173 -6.007 -5.742 800 2HB LEU 28 HBS LEU 28 1.943 -4.505 -4.804 801 HG LEU 28 HG LEU 28 4.245 -4.766 -4.949 802 1HD1 LEU 28 HMD LEU 28 2.993 -5.121 -2.426 803 2HD1 LEU 28 HMD LEU 28 4.428 -6.177 -2.457 804 3HD1 LEU 28 HMD LEU 28 4.597 -4.433 -2.784 805 1HD2 LEU 28 HMD LEU 28 3.526 -7.599 -4.974 806 2HD2 LEU 28 HMD LEU 28 4.939 -6.762 -5.667 807 3HD2 LEU 28 HMD LEU 28 4.950 -7.262 -3.957 808 H ALA 29 HN ALA 29 -0.673 -6.321 -5.428 809 HA ALA 29 HA ALA 29 -2.110 -4.035 -4.578 810 1HB ALA 29 HMB ALA 29 -2.274 -5.340 -6.767 811 2HB ALA 29 HMB ALA 29 -3.361 -6.447 -5.890 812 3HB ALA 29 HMB ALA 29 -3.786 -4.724 -6.055 813 H LYS 30 HN LYS 30 -2.980 -7.488 -4.114 814 HA LYS 30 HA LYS 30 -5.043 -7.019 -2.333 815 1HB LYS 30 HBR LYS 30 -3.718 -9.283 -3.389 816 2HB LYS 30 HBS LYS 30 -3.737 -9.488 -1.614 817 1HG LYS 30 HGR LYS 30 -6.321 -8.566 -2.589 818 2HG LYS 30 HGS LYS 30 -5.814 -10.063 -3.423 819 1HD LYS 30 HDS LYS 30 -7.064 -10.733 -1.554 820 2HD LYS 30 HDR LYS 30 -5.389 -11.116 -1.264 821 1HE LYS 30 HES LYS 30 -6.310 -8.493 -0.247 822 2HE LYS 30 HER LYS 30 -6.943 -9.961 0.551 823 1HZ LYS 30 HZA LYS 30 -4.674 -10.671 0.862 824 2HZ LYS 30 HZB LYS 30 -4.102 -9.321 0.146 825 3HZ LYS 30 HZC LYS 30 -4.912 -9.215 1.560 826 H ILE 31 HN ILE 31 -1.592 -7.301 -1.705 827 HA ILE 31 HA ILE 31 -1.713 -7.239 1.188 828 HB ILE 31 HB ILE 31 0.404 -6.532 -0.892 829 1HG1 ILE 31 HG1 ILE 31 0.406 -8.778 1.146 830 2HG1 ILE 31 HG1 ILE 31 -0.369 -8.924 -0.458 831 1HG2 ILE 31 HMG ILE 31 0.749 -6.503 2.115 832 2HG2 ILE 31 HMG ILE 31 2.056 -6.383 0.907 833 3HG2 ILE 31 HMG ILE 31 0.824 -5.098 1.020 834 1HD1 ILE 31 HMD ILE 31 2.552 -8.238 -0.027 835 2HD1 ILE 31 HMD ILE 31 1.935 -9.883 -0.333 836 3HD1 ILE 31 HMD ILE 31 1.739 -8.614 -1.570 837 H LEU 32 HN LEU 32 -0.527 -4.696 -1.004 838 HA LEU 32 HA LEU 32 -0.589 -2.751 0.888 839 1HB LEU 32 HBR LEU 32 -0.681 -2.683 -2.126 840 2HB LEU 32 HBS LEU 32 -0.545 -1.185 -1.163 841 HG LEU 32 HG LEU 32 1.425 -3.297 -0.528 842 1HD1 LEU 32 HMD LEU 32 0.952 -2.931 -3.201 843 2HD1 LEU 32 HMD LEU 32 2.178 -1.680 -2.876 844 3HD1 LEU 32 HMD LEU 32 2.523 -3.384 -2.492 845 1HD2 LEU 32 HMD LEU 32 1.015 -0.428 -0.399 846 2HD2 LEU 32 HMD LEU 32 2.179 -1.453 0.478 847 3HD2 LEU 32 HMD LEU 32 2.590 -0.818 -1.136 848 H GLU 33 HN GLU 33 -3.215 -3.642 -1.291 849 HA GLU 33 HA GLU 33 -4.891 -1.446 -0.670 850 1HB GLU 33 HBR GLU 33 -6.441 -2.556 -1.972 851 2HB GLU 33 HBS GLU 33 -4.932 -2.972 -2.573 852 1HG GLU 33 HGS GLU 33 -6.046 -4.987 -2.669 853 2HG GLU 33 HGR GLU 33 -4.993 -5.184 -1.243 854 H GLU 34 HN GLU 34 -4.774 -4.775 0.643 855 HA GLU 34 HA GLU 34 -6.772 -4.549 2.573 856 1HB GLU 34 HBR GLU 34 -4.234 -6.087 2.247 857 2HB GLU 34 HBS GLU 34 -4.902 -6.027 3.785 858 1HG GLU 34 HGS GLU 34 -7.154 -6.556 2.342 859 2HG GLU 34 HGR GLU 34 -5.956 -7.555 1.476 860 H MET 35 HN MET 35 -3.363 -3.537 2.708 861 HA MET 35 HA MET 35 -3.355 -2.455 5.322 862 1HB MET 35 HBS MET 35 -1.700 -2.263 2.908 863 2HB MET 35 HBR MET 35 -1.745 -0.759 3.863 864 1HG MET 35 HGS MET 35 0.041 -1.955 4.848 865 2HG MET 35 HGR MET 35 -1.339 -2.278 5.923 866 1HE MET 35 HME MET 35 -1.790 -4.094 6.730 867 2HE MET 35 HME MET 35 -1.985 -5.705 5.995 868 3HE MET 35 HME MET 35 -0.422 -5.234 6.710 869 H GLY 36 HN GLY 36 -4.338 -1.078 2.191 870 1HA GLY 36 HAR GLY 36 -4.533 1.603 2.998 871 2HA GLY 36 HAS GLY 36 -5.398 0.881 1.614 872 H ARG 37 HN ARG 37 -6.931 -1.028 3.053 873 HA ARG 37 HA ARG 37 -9.110 0.463 4.190 874 1HB ARG 37 HBR ARG 37 -8.839 -2.072 3.266 875 2HB ARG 37 HBS ARG 37 -8.717 -2.354 5.027 876 1HG ARG 37 HGS ARG 37 -10.907 -2.004 5.348 877 2HG ARG 37 HGR ARG 37 -10.931 -0.576 4.275 878 1HD ARG 37 HDS ARG 37 -12.286 -2.040 3.154 879 2HD ARG 37 HDR ARG 37 -10.703 -2.328 2.380 880 HE ARG 37 HE ARG 37 -10.631 -4.448 3.351 881 1HH1 ARG 37 HH1 ARG 37 -13.183 -2.579 4.908 882 2HH1 ARG 37 HH1 ARG 37 -13.969 -3.982 5.552 883 1HH2 ARG 37 HH2 ARG 37 -11.758 -6.267 4.100 884 2HH2 ARG 37 HH2 ARG 37 -13.162 -6.070 5.096 885 H ASP 38 HN ASP 38 -6.272 -1.235 5.482 886 HA ASP 38 HA ASP 38 -6.904 -1.019 8.164 887 1HB ASP 38 HBS ASP 38 -4.969 -2.237 6.880 888 2HB ASP 38 HBR ASP 38 -4.040 -0.796 7.387 889 H ILE 39 HN ILE 39 -5.056 1.302 6.184 890 HA ILE 39 HA ILE 39 -4.442 3.051 8.418 891 HB ILE 39 HB ILE 39 -4.485 3.799 5.461 892 1HG1 ILE 39 HG1 ILE 39 -2.049 2.627 6.815 893 2HG1 ILE 39 HG1 ILE 39 -3.282 1.571 6.070 894 1HG2 ILE 39 HMG ILE 39 -2.972 4.829 7.858 895 2HG2 ILE 39 HMG ILE 39 -2.487 5.181 6.178 896 3HG2 ILE 39 HMG ILE 39 -4.084 5.704 6.774 897 1HD1 ILE 39 HMD ILE 39 -1.807 3.786 4.622 898 2HD1 ILE 39 HMD ILE 39 -1.351 2.061 4.585 899 3HD1 ILE 39 HMD ILE 39 -2.919 2.585 3.912 900 H ALA 40 HN ALA 40 -7.078 2.594 6.170 901 HA ALA 40 HA ALA 40 -8.154 5.236 6.223 902 1HB ALA 40 HMB ALA 40 -8.687 3.567 4.501 903 2HB ALA 40 HMB ALA 40 -9.551 2.593 5.717 904 3HB ALA 40 HMB ALA 40 -10.148 4.216 5.288 905 H SER 41 HN SER 41 -9.358 2.254 7.820 906 HA SER 41 HA SER 41 -11.274 3.725 9.392 907 1HB SER 41 HBS SER 41 -10.939 1.078 8.658 908 2HB SER 41 HBR SER 41 -10.611 1.075 10.415 909 HG SER 41 HG SER 41 -12.554 1.575 10.924 910 H GLU 42 HN GLU 42 -7.948 2.773 9.788 911 HA GLU 42 HA GLU 42 -7.818 3.354 12.597 912 1HB GLU 42 HBR GLU 42 -5.940 2.914 10.314 913 2HB GLU 42 HBS GLU 42 -5.351 3.724 11.661 914 1HG GLU 42 HGS GLU 42 -5.054 1.925 12.859 915 2HG GLU 42 HGR GLU 42 -6.766 1.441 12.721 916 H ALA 43 HN ALA 43 -7.168 5.220 9.629 917 HA ALA 43 HA ALA 43 -6.265 7.613 11.025 918 1HB ALA 43 HMB ALA 43 -7.147 7.039 8.189 919 2HB ALA 43 HMB ALA 43 -6.643 8.647 8.767 920 3HB ALA 43 HMB ALA 43 -5.491 7.288 8.801 921 H ILE 44 HN ILE 44 -9.281 6.256 9.787 922 HA ILE 44 HA ILE 44 -11.015 8.427 10.503 923 HB ILE 44 HB ILE 44 -11.376 5.417 10.174 924 1HG1 ILE 44 HG1 ILE 44 -12.656 7.556 8.486 925 2HG1 ILE 44 HG1 ILE 44 -10.917 7.194 8.288 926 1HG2 ILE 44 HMG ILE 44 -13.269 7.330 11.359 927 2HG2 ILE 44 HMG ILE 44 -13.920 6.376 10.001 928 3HG2 ILE 44 HMG ILE 44 -13.225 5.548 11.419 929 1HD1 ILE 44 HMD ILE 44 -11.595 4.769 7.962 930 2HD1 ILE 44 HMD ILE 44 -13.276 5.353 7.846 931 3HD1 ILE 44 HMD ILE 44 -12.057 5.900 6.663 932 H LYS 45 HN LYS 45 -10.043 5.436 12.230 933 HA LYS 45 HA LYS 45 -11.062 6.039 14.715 934 1HB LYS 45 HBR LYS 45 -9.235 4.153 13.662 935 2HB LYS 45 HBS LYS 45 -8.441 4.900 15.077 936 1HG LYS 45 HGR LYS 45 -9.794 3.843 16.531 937 2HG LYS 45 HGS LYS 45 -11.255 4.193 15.564 938 1HD LYS 45 HDS LYS 45 -9.650 2.249 14.201 939 2HD LYS 45 HDR LYS 45 -9.846 1.759 15.862 940 1HE LYS 45 HES LYS 45 -12.188 1.711 15.732 941 2HE LYS 45 HER LYS 45 -12.183 2.629 14.200 942 1HZ LYS 45 HZB LYS 45 -10.853 0.612 13.387 943 2HZ LYS 45 HZC LYS 45 -11.517 -0.168 14.658 944 3HZ LYS 45 HZA LYS 45 -12.478 0.493 13.514 945 H LEU 46 HN LEU 46 -8.094 7.244 13.226 946 HA LEU 46 HA LEU 46 -7.196 8.741 15.508 947 1HB LEU 46 HBR LEU 46 -6.561 8.420 12.635 948 2HB LEU 46 HBS LEU 46 -6.135 10.002 13.349 949 HG LEU 46 HG LEU 46 -5.265 7.499 14.741 950 1HD1 LEU 46 HMD LEU 46 -4.557 8.202 12.023 951 2HD1 LEU 46 HMD LEU 46 -3.141 8.324 13.097 952 3HD1 LEU 46 HMD LEU 46 -4.058 6.800 13.001 953 1HD2 LEU 46 HMD LEU 46 -4.149 10.288 14.309 954 2HD2 LEU 46 HMD LEU 46 -4.938 9.664 15.781 955 3HD2 LEU 46 HMD LEU 46 -3.363 9.008 15.267 956 H ALA 47 HN ALA 47 -9.302 9.429 12.735 957 HA ALA 47 HA ALA 47 -9.793 12.139 13.210 958 1HB ALA 47 HMB ALA 47 -10.618 10.393 11.369 959 2HB ALA 47 HMB ALA 47 -12.081 10.424 12.385 960 3HB ALA 47 HMB ALA 47 -11.453 11.936 11.683 961 H ARG 48 HN ARG 48 -11.296 9.261 14.661 962 HA ARG 48 HA ARG 48 -13.113 10.538 16.383 963 1HB ARG 48 HBR ARG 48 -11.846 7.917 16.176 964 2HB ARG 48 HBS ARG 48 -12.074 8.428 17.874 965 1HG ARG 48 HGS ARG 48 -14.056 7.336 17.482 966 2HG ARG 48 HGR ARG 48 -14.507 9.008 17.044 967 1HD ARG 48 HDS ARG 48 -13.960 8.457 14.684 968 2HD ARG 48 HDR ARG 48 -13.726 6.760 15.189 969 HE ARG 48 HE ARG 48 -16.305 7.926 15.911 970 1HH1 ARG 48 HH1 ARG 48 -14.465 5.843 13.743 971 2HH1 ARG 48 HH1 ARG 48 -15.880 5.217 12.966 972 1HH2 ARG 48 HH2 ARG 48 -18.126 7.182 14.784 973 2HH2 ARG 48 HH2 ARG 48 -17.952 5.972 13.556 974 H HIS 49 HN HIS 49 -9.694 9.638 16.950 975 HA HIS 49 HA HIS 49 -9.351 10.897 19.408 976 1HB HIS 49 HBS HIS 49 -7.642 9.545 17.774 977 2HB HIS 49 HBR HIS 49 -7.063 11.218 17.527 978 HD1 HIS 49 HD1 HIS 49 -6.877 8.401 19.933 979 HD2 HIS 49 HD2 HIS 49 -6.264 12.521 19.960 980 HE1 HIS 49 HE1 HIS 49 -5.438 8.888 21.926 981 HE2 HIS 49 HE2 HIS 49 -5.046 11.377 21.936 982 H ALA 50 HN ALA 50 -9.123 12.270 16.134 983 HA ALA 50 HA ALA 50 -8.545 14.932 16.819 984 1HB ALA 50 HMB ALA 50 -9.220 13.506 14.519 985 2HB ALA 50 HMB ALA 50 -10.501 14.734 14.686 986 3HB ALA 50 HMB ALA 50 -8.791 15.232 14.635 987 H GLY 51 HN GLY 51 -11.682 13.241 16.611 988 1HA GLY 51 HAR GLY 51 -13.614 14.081 17.972 989 2HA GLY 51 HAS GLY 51 -13.029 15.724 17.596 990 H ARG 52 HN ARG 52 -12.931 13.011 15.338 991 HA ARG 52 HA ARG 52 -13.826 12.701 13.261 992 1HB ARG 52 HBR ARG 52 -16.175 12.719 13.125 993 2HB ARG 52 HBS ARG 52 -15.748 12.253 14.794 994 1HG ARG 52 HGS ARG 52 -16.300 15.139 14.357 995 2HG ARG 52 HGR ARG 52 -17.685 14.033 14.148 996 1HD ARG 52 HDS ARG 52 -17.726 13.438 16.316 997 2HD ARG 52 HDR ARG 52 -15.960 13.601 16.518 998 HE ARG 52 HE ARG 52 -16.582 16.156 16.302 999 1HH1 ARG 52 HH1 ARG 52 -18.157 13.618 18.176 1000 2HH1 ARG 52 HH1 ARG 52 -18.925 14.738 19.250 1001 1HH2 ARG 52 HH2 ARG 52 -17.706 17.593 17.649 1002 2HH2 ARG 52 HH2 ARG 52 -18.668 16.988 18.955 1003 H LYS 53 HN LYS 53 -15.698 13.972 11.754 1004 HA LYS 53 HA LYS 53 -15.843 15.600 10.142 1005 1HB LYS 53 HBR LYS 53 -15.966 17.168 12.175 1006 2HB LYS 53 HBS LYS 53 -14.229 17.469 11.884 1007 1HG LYS 53 HGR LYS 53 -15.053 19.178 10.626 1008 2HG LYS 53 HGS LYS 53 -15.169 17.894 9.390 1009 1HD LYS 53 HDS LYS 53 -17.198 19.141 9.397 1010 2HD LYS 53 HDR LYS 53 -17.472 17.506 9.934 1011 1HE LYS 53 HES LYS 53 -16.926 19.222 12.193 1012 2HE LYS 53 HER LYS 53 -18.277 19.835 11.197 1013 1HZ LYS 53 HZB LYS 53 -18.655 17.145 11.412 1014 2HZ LYS 53 HZC LYS 53 -18.212 17.609 12.914 1015 3HZ LYS 53 HZA LYS 53 -19.493 18.314 12.186 1016 H THR 54 HN THR 54 -14.598 14.582 8.667 1017 HA THR 54 HA THR 54 -12.977 14.577 7.068 1018 HB THR 54 HB THR 54 -11.622 16.973 8.362 1019 HG1 THR 54 HG1 THR 54 -13.058 18.173 7.664 1020 1HG2 THR 54 HMG THR 54 -12.211 16.095 5.542 1021 2HG2 THR 54 HMG THR 54 -11.815 17.789 5.927 1022 3HG2 THR 54 HMG THR 54 -10.647 16.496 6.297 1023 H ILE 55 HN ILE 55 -11.460 13.126 6.924 1024 HA ILE 55 HA ILE 55 -9.260 13.048 8.921 1025 HB ILE 55 HB ILE 55 -10.055 11.120 6.686 1026 1HG1 ILE 55 HG1 ILE 55 -9.989 9.712 9.061 1027 2HG1 ILE 55 HG1 ILE 55 -10.578 11.316 9.581 1028 1HG2 ILE 55 HMG ILE 55 -7.609 11.163 8.436 1029 2HG2 ILE 55 HMG ILE 55 -8.262 9.640 7.778 1030 3HG2 ILE 55 HMG ILE 55 -7.737 10.936 6.671 1031 1HD1 ILE 55 HMD ILE 55 -11.815 9.852 7.251 1032 2HD1 ILE 55 HMD ILE 55 -12.319 9.546 8.934 1033 3HD1 ILE 55 HMD ILE 55 -12.493 11.177 8.234 1034 H LYS 56 HN LYS 56 -7.235 13.622 8.383 1035 HA LYS 56 HA LYS 56 -6.910 14.986 5.748 1036 1HB LYS 56 HBR LYS 56 -6.812 16.033 8.507 1037 2HB LYS 56 HBS LYS 56 -5.419 16.482 7.480 1038 1HG LYS 56 HGR LYS 56 -7.620 16.922 5.830 1039 2HG LYS 56 HGS LYS 56 -8.187 17.452 7.439 1040 1HD LYS 56 HDS LYS 56 -7.218 19.287 6.171 1041 2HD LYS 56 HDR LYS 56 -6.412 18.972 7.683 1042 1HE LYS 56 HES LYS 56 -4.846 19.480 5.857 1043 2HE LYS 56 HER LYS 56 -4.587 17.878 6.606 1044 1HZ LYS 56 HZA LYS 56 -6.056 18.344 4.102 1045 2HZ LYS 56 HZB LYS 56 -4.512 17.822 4.196 1046 3HZ LYS 56 HZC LYS 56 -5.724 16.892 4.773 1047 H ALA 57 HN ALA 57 -4.505 15.821 5.680 1048 HA ALA 57 HA ALA 57 -2.998 13.522 5.177 1049 1HB ALA 57 HMB ALA 57 -2.132 16.406 5.509 1050 2HB ALA 57 HMB ALA 57 -1.102 15.102 4.863 1051 3HB ALA 57 HMB ALA 57 -2.592 15.570 4.003 1052 H GLU 58 HN GLU 58 -3.319 15.414 8.081 1053 HA GLU 58 HA GLU 58 -0.962 14.332 9.348 1054 1HB GLU 58 HBR GLU 58 -2.658 16.477 9.641 1055 2HB GLU 58 HBS GLU 58 -3.210 15.460 10.857 1056 1HG GLU 58 HGS GLU 58 -1.587 15.877 12.259 1057 2HG GLU 58 HGR GLU 58 -0.309 15.504 11.071 1058 H ASP 59 HN ASP 59 -4.410 13.568 9.290 1059 HA ASP 59 HA ASP 59 -4.154 11.578 11.363 1060 1HB ASP 59 HBS ASP 59 -6.339 12.765 9.796 1061 2HB ASP 59 HBR ASP 59 -6.570 11.059 10.279 1062 H ILE 60 HN ILE 60 -4.160 11.598 7.853 1063 HA ILE 60 HA ILE 60 -4.070 8.748 7.457 1064 HB ILE 60 HB ILE 60 -3.018 11.104 5.820 1065 1HG1 ILE 60 HG1 ILE 60 -5.410 11.139 6.081 1066 2HG1 ILE 60 HG1 ILE 60 -5.010 10.658 4.408 1067 1HG2 ILE 60 HMG ILE 60 -3.236 8.197 5.003 1068 2HG2 ILE 60 HMG ILE 60 -2.879 9.563 3.913 1069 3HG2 ILE 60 HMG ILE 60 -1.738 9.141 5.217 1070 1HD1 ILE 60 HMD ILE 60 -5.285 8.228 5.351 1071 2HD1 ILE 60 HMD ILE 60 -6.225 9.045 6.628 1072 3HD1 ILE 60 HMD ILE 60 -6.717 9.199 4.920 1073 H GLU 61 HN GLU 61 -1.545 11.281 7.695 1074 HA GLU 61 HA GLU 61 0.631 9.502 7.625 1075 1HB GLU 61 HBR GLU 61 0.125 12.319 8.483 1076 2HB GLU 61 HBS GLU 61 1.537 11.587 9.019 1077 1HG GLU 61 HGS GLU 61 2.472 11.209 6.942 1078 2HG GLU 61 HGR GLU 61 0.950 11.465 6.046 1079 H LEU 62 HN LEU 62 -1.127 10.928 10.385 1080 HA LEU 62 HA LEU 62 0.327 9.759 12.466 1081 1HB LEU 62 HBR LEU 62 -2.467 10.754 12.050 1082 2HB LEU 62 HBS LEU 62 -2.083 9.866 13.553 1083 HG LEU 62 HG LEU 62 -0.453 12.244 12.683 1084 1HD1 LEU 62 HMD LEU 62 -3.068 12.209 14.220 1085 2HD1 LEU 62 HMD LEU 62 -1.913 13.566 14.248 1086 3HD1 LEU 62 HMD LEU 62 -2.696 13.094 12.719 1087 1HD2 LEU 62 HMD LEU 62 -0.280 10.349 14.705 1088 2HD2 LEU 62 HMD LEU 62 0.531 11.936 14.671 1089 3HD2 LEU 62 HMD LEU 62 -1.031 11.752 15.506 1090 H ALA 63 HN ALA 63 -2.570 8.485 10.792 1091 HA ALA 63 HA ALA 63 -2.689 6.013 12.018 1092 1HB ALA 63 HMB ALA 63 -3.412 6.930 9.239 1093 2HB ALA 63 HMB ALA 63 -3.701 5.260 9.788 1094 3HB ALA 63 HMB ALA 63 -4.470 6.623 10.640 1095 H VAL 64 HN VAL 64 -0.919 6.839 9.013 1096 HA VAL 64 HA VAL 64 -0.333 4.137 8.583 1097 HB VAL 64 HB VAL 64 -0.462 6.449 7.139 1098 1HG1 VAL 64 HMG VAL 64 2.280 6.316 7.642 1099 2HG1 VAL 64 HMG VAL 64 2.087 5.640 6.008 1100 3HG1 VAL 64 HMG VAL 64 1.445 7.256 6.383 1101 1HG2 VAL 64 HMG VAL 64 -0.673 3.780 6.690 1102 2HG2 VAL 64 HMG VAL 64 -0.841 5.060 5.463 1103 3HG2 VAL 64 HMG VAL 64 0.708 4.200 5.647 1104 H ARG 65 HN ARG 65 1.960 6.782 9.366 1105 HA ARG 65 HA ARG 65 4.144 5.226 9.950 1106 1HB ARG 65 HBR ARG 65 3.695 7.856 10.040 1107 2HB ARG 65 HBS ARG 65 3.638 7.519 11.795 1108 1HG ARG 65 HGS ARG 65 5.858 7.694 11.809 1109 2HG ARG 65 HGR ARG 65 5.916 6.171 10.876 1110 1HD ARG 65 HDS ARG 65 6.621 7.215 9.066 1111 2HD ARG 65 HDR ARG 65 5.312 8.426 9.177 1112 HE ARG 65 HE ARG 65 7.578 8.805 11.000 1113 1HH1 ARG 65 HH1 ARG 65 5.837 9.812 8.104 1114 2HH1 ARG 65 HH1 ARG 65 6.810 11.227 7.880 1115 1HH2 ARG 65 HH2 ARG 65 8.911 10.594 10.599 1116 2HH2 ARG 65 HH2 ARG 65 8.547 11.672 9.293 1117 H ARG 66 HN ARG 66 1.346 5.872 12.002 1118 HA ARG 66 HA ARG 66 2.315 4.931 14.428 1119 1HB ARG 66 HBR ARG 66 0.168 6.057 14.204 1120 2HB ARG 66 HBS ARG 66 -0.497 4.656 13.316 1121 1HG ARG 66 HGS ARG 66 0.547 3.700 15.789 1122 2HG ARG 66 HGR ARG 66 -0.442 5.147 16.136 1123 1HD ARG 66 HDS ARG 66 -1.872 3.686 14.229 1124 2HD ARG 66 HDR ARG 66 -1.248 2.485 15.394 1125 HE ARG 66 HE ARG 66 -2.546 4.867 16.525 1126 1HH1 ARG 66 HH1 ARG 66 -2.613 1.402 15.875 1127 2HH1 ARG 66 HH1 ARG 66 -4.060 1.148 16.792 1128 1HH2 ARG 66 HH2 ARG 66 -4.505 4.517 17.607 1129 2HH2 ARG 66 HH2 ARG 66 -5.132 2.910 17.773 1130 H PHE 67 HN PHE 67 0.591 3.075 11.894 1131 HA PHE 67 HA PHE 67 0.978 0.508 13.032 1132 1HB PHE 67 HBR PHE 67 1.126 0.743 10.048 1133 2HB PHE 67 HBS PHE 67 0.218 -0.402 11.077 1134 HD1 PHE 67 HD1 PHE 67 -1.342 1.143 12.767 1135 HD2 PHE 67 HD2 PHE 67 -0.488 1.857 8.654 1136 HE1 PHE 67 HE1 PHE 67 -3.367 2.518 12.607 1137 HE2 PHE 67 HE2 PHE 67 -2.569 3.177 8.447 1138 HZ PHE 67 HZ PHE 67 -3.950 3.590 10.465 1139 H LYS 68 HN LYS 68 2.819 2.054 10.369 1140 HA LYS 68 HA LYS 68 5.315 0.801 11.263 1141 1HB LYS 68 HBR LYS 68 4.272 0.104 8.514 1142 2HB LYS 68 HBS LYS 68 5.679 -0.563 9.390 1143 1HG LYS 68 HGR LYS 68 4.258 -1.775 10.904 1144 2HG LYS 68 HGS LYS 68 2.798 -0.958 10.276 1145 1HD LYS 68 HDS LYS 68 2.512 -2.515 8.768 1146 2HD LYS 68 HDR LYS 68 4.057 -2.124 8.065 1147 1HE LYS 68 HES LYS 68 3.484 -4.192 10.172 1148 2HE LYS 68 HER LYS 68 4.097 -4.421 8.510 1149 1HZ LYS 68 HZB LYS 68 6.014 -3.003 9.323 1150 2HZ LYS 68 HZC LYS 68 5.501 -3.347 10.835 1151 3HZ LYS 68 HZA LYS 68 5.952 -4.554 9.831 1152 H LYS 69 HN LYS 69 7.035 1.209 9.524 1153 HA LYS 69 HA LYS 69 6.750 3.962 8.460 1154 1HB LYS 69 HBR LYS 69 9.207 2.218 8.272 1155 2HB LYS 69 HBS LYS 69 9.070 3.997 8.162 1156 1HG LYS 69 HGR LYS 69 8.655 4.182 10.525 1157 2HG LYS 69 HGS LYS 69 8.513 2.410 10.694 1158 1HD LYS 69 HDS LYS 69 11.036 3.003 9.511 1159 2HD LYS 69 HDR LYS 69 10.816 4.070 10.870 1160 1HE LYS 69 HES LYS 69 10.130 1.989 12.202 1161 2HE LYS 69 HER LYS 69 10.851 1.081 10.844 1162 1HZ LYS 69 HZC LYS 69 12.825 2.605 11.263 1163 2HZ LYS 69 HZA LYS 69 12.158 2.884 12.727 1164 3HZ LYS 69 HZB LYS 69 12.577 1.366 12.298 No H/Q in entry = 1164 Start of MODEL 23 Raw file had 1198 H/Q atoms Start of MODEL 23 1 1H MET 1 HNC MET 1 3.272 6.606 -12.732 2 2H MET 1 HN MET 1 3.134 7.969 -13.622 3 3H MET 1 HNB MET 1 3.286 8.067 -11.999 4 HA MET 1 HA MET 1 1.060 8.507 -12.594 5 1HB MET 1 HBS MET 1 1.578 6.117 -14.258 6 2HB MET 1 HBR MET 1 -0.023 6.160 -13.477 7 1HG MET 1 HGS MET 1 1.084 8.575 -14.968 8 2HG MET 1 HGR MET 1 0.259 7.255 -15.827 9 1HE MET 1 HME MET 1 -1.679 7.322 -16.400 10 2HE MET 1 HME MET 1 -2.938 6.990 -15.184 11 3HE MET 1 HME MET 1 -2.921 8.549 -16.045 12 H GLU 2 HN GLU 2 1.094 8.605 -10.371 13 HA GLU 2 HA GLU 2 1.540 6.405 -8.676 14 1HB GLU 2 HBR GLU 2 1.045 7.912 -6.968 15 2HB GLU 2 HBS GLU 2 1.780 8.761 -8.214 16 1HG GLU 2 HGS GLU 2 -1.171 8.735 -8.309 17 2HG GLU 2 HGR GLU 2 -0.453 9.773 -7.048 18 H LEU 3 HN LEU 3 -0.136 5.874 -6.884 19 HA LEU 3 HA LEU 3 -2.313 4.459 -7.894 20 1HB LEU 3 HBR LEU 3 -2.197 5.637 -5.123 21 2HB LEU 3 HBS LEU 3 -2.874 4.070 -5.654 22 HG LEU 3 HG LEU 3 0.056 4.814 -5.443 23 1HD1 LEU 3 HMD LEU 3 -1.401 4.261 -3.358 24 2HD1 LEU 3 HMD LEU 3 -1.374 2.596 -3.991 25 3HD1 LEU 3 HMD LEU 3 0.153 3.420 -3.582 26 1HD2 LEU 3 HMD LEU 3 -1.399 2.360 -6.463 27 2HD2 LEU 3 HMD LEU 3 -0.222 3.383 -7.325 28 3HD2 LEU 3 HMD LEU 3 0.316 2.349 -5.978 29 HA PRO 4 HA PRO 4 -5.109 7.866 -8.806 30 1HB PRO 4 HBR PRO 4 -6.774 6.057 -9.994 31 2HB PRO 4 HBS PRO 4 -5.846 7.175 -10.756 32 1HG PRO 4 HGR PRO 4 -5.490 4.495 -10.818 33 2HG PRO 4 HGS PRO 4 -4.484 5.659 -11.464 34 1HD PRO 4 HDS PRO 4 -4.151 4.181 -9.102 35 2HD PRO 4 HDR PRO 4 -3.014 5.030 -9.952 36 H ILE 5 HN ILE 5 -6.942 8.592 -7.887 37 HA ILE 5 HA ILE 5 -7.262 7.206 -5.323 38 HB ILE 5 HB ILE 5 -8.152 9.324 -4.498 39 1HG1 ILE 5 HG1 ILE 5 -9.327 9.805 -6.740 40 2HG1 ILE 5 HG1 ILE 5 -8.739 11.176 -5.761 41 1HG2 ILE 5 HMG ILE 5 -5.739 9.084 -4.543 42 2HG2 ILE 5 HMG ILE 5 -5.677 9.803 -6.174 43 3HG2 ILE 5 HMG ILE 5 -6.225 10.782 -4.787 44 1HD1 ILE 5 HMD ILE 5 -6.609 10.904 -7.336 45 2HD1 ILE 5 HMD ILE 5 -7.825 10.182 -8.422 46 3HD1 ILE 5 HMD ILE 5 -8.043 11.848 -7.822 47 H ALA 6 HN ALA 6 -8.665 6.489 -7.954 48 HA ALA 6 HA ALA 6 -11.491 6.667 -7.215 49 1HB ALA 6 HMB ALA 6 -9.953 5.955 -9.535 50 2HB ALA 6 HMB ALA 6 -11.043 4.612 -9.106 51 3HB ALA 6 HMB ALA 6 -11.706 6.242 -9.383 52 HA PRO 7 HA PRO 7 -10.544 2.037 -6.169 53 1HB PRO 7 HBR PRO 7 -7.927 1.446 -6.027 54 2HB PRO 7 HBS PRO 7 -8.935 0.981 -7.237 55 1HG PRO 7 HGR PRO 7 -6.966 2.964 -7.300 56 2HG PRO 7 HGS PRO 7 -7.689 2.154 -8.568 57 1HD PRO 7 HDS PRO 7 -8.221 4.687 -7.838 58 2HD PRO 7 HDR PRO 7 -9.143 3.770 -8.859 59 H ILE 8 HN ILE 8 -7.848 3.947 -5.066 60 HA ILE 8 HA ILE 8 -7.908 3.135 -2.426 61 HB ILE 8 HB ILE 8 -7.157 5.897 -3.503 62 1HG1 ILE 8 HG1 ILE 8 -5.501 3.362 -3.187 63 2HG1 ILE 8 HG1 ILE 8 -6.076 4.074 -4.722 64 1HG2 ILE 8 HMG ILE 8 -6.329 4.499 -0.950 65 2HG2 ILE 8 HMG ILE 8 -5.593 5.993 -1.589 66 3HG2 ILE 8 HMG ILE 8 -7.310 5.982 -1.104 67 1HD1 ILE 8 HMD ILE 8 -4.638 6.089 -3.315 68 2HD1 ILE 8 HMD ILE 8 -3.660 4.597 -3.297 69 3HD1 ILE 8 HMD ILE 8 -4.218 5.279 -4.847 70 H GLY 9 HN GLY 9 -9.638 5.893 -3.896 71 1HA GLY 9 HAS GLY 9 -10.620 7.024 -1.586 72 2HA GLY 9 HAR GLY 9 -11.432 7.151 -3.170 73 H ARG 10 HN ARG 10 -12.181 4.527 -3.617 74 HA ARG 10 HA ARG 10 -14.517 4.300 -2.058 75 1HB ARG 10 HBS ARG 10 -14.977 2.277 -3.248 76 2HB ARG 10 HBR ARG 10 -14.268 3.465 -4.378 77 1HG ARG 10 HGS ARG 10 -12.551 2.122 -4.882 78 2HG ARG 10 HGR ARG 10 -12.271 1.688 -3.172 79 1HD ARG 10 HDS ARG 10 -12.936 -0.172 -4.760 80 2HD ARG 10 HDR ARG 10 -13.845 -0.027 -3.230 81 HE ARG 10 HE ARG 10 -14.919 1.143 -5.741 82 1HH1 ARG 10 HH1 ARG 10 -15.115 -1.322 -3.227 83 2HH1 ARG 10 HH1 ARG 10 -16.801 -1.614 -3.493 84 1HH2 ARG 10 HH2 ARG 10 -17.152 0.823 -5.972 85 2HH2 ARG 10 HH2 ARG 10 -17.954 -0.403 -5.047 86 H ILE 11 HN ILE 11 -11.406 2.605 -1.887 87 HA ILE 11 HA ILE 11 -12.028 0.695 -0.003 88 HB ILE 11 HB ILE 11 -9.424 2.253 -0.366 89 1HG1 ILE 11 HG1 ILE 11 -10.030 -0.527 -1.391 90 2HG1 ILE 11 HG1 ILE 11 -10.567 0.923 -2.284 91 1HG2 ILE 11 HMG ILE 11 -9.628 1.024 1.841 92 2HG2 ILE 11 HMG ILE 11 -9.660 -0.480 0.885 93 3HG2 ILE 11 HMG ILE 11 -8.240 0.595 0.808 94 1HD1 ILE 11 HMD ILE 11 -7.700 0.771 -1.461 95 2HD1 ILE 11 HMD ILE 11 -8.252 -0.281 -2.792 96 3HD1 ILE 11 HMD ILE 11 -8.446 1.488 -2.914 97 H ILE 12 HN ILE 12 -11.024 4.066 0.589 98 HA ILE 12 HA ILE 12 -10.722 3.702 3.446 99 HB ILE 12 HB ILE 12 -11.054 6.335 1.940 100 1HG1 ILE 12 HG1 ILE 12 -9.401 4.804 0.834 101 2HG1 ILE 12 HG1 ILE 12 -8.729 6.356 1.407 102 1HG2 ILE 12 HMG ILE 12 -10.903 6.000 4.583 103 2HG2 ILE 12 HMG ILE 12 -9.160 6.019 4.205 104 3HG2 ILE 12 HMG ILE 12 -10.189 7.398 3.737 105 1HD1 ILE 12 HMD ILE 12 -7.781 5.221 3.364 106 2HD1 ILE 12 HMD ILE 12 -8.448 3.670 2.788 107 3HD1 ILE 12 HMD ILE 12 -7.193 4.509 1.838 108 H LYS 13 HN LYS 13 -13.203 5.060 1.283 109 HA LYS 13 HA LYS 13 -14.977 5.960 3.393 110 1HB LYS 13 HBS LYS 13 -14.871 6.199 0.599 111 2HB LYS 13 HBR LYS 13 -16.313 5.197 0.931 112 1HG LYS 13 HGR LYS 13 -16.177 7.463 2.752 113 2HG LYS 13 HGS LYS 13 -16.109 8.004 1.051 114 1HD LYS 13 HDS LYS 13 -18.237 6.289 2.330 115 2HD LYS 13 HDR LYS 13 -18.367 7.964 1.870 116 1HE LYS 13 HES LYS 13 -18.034 5.613 0.018 117 2HE LYS 13 HER LYS 13 -19.460 6.669 0.223 118 1HZ LYS 13 HZA LYS 13 -17.178 8.180 -0.386 119 2HZ LYS 13 HZB LYS 13 -17.385 7.021 -1.519 120 3HZ LYS 13 HZC LYS 13 -18.591 8.075 -1.200 121 H ASP 14 HN ASP 14 -14.698 3.067 1.316 122 HA ASP 14 HA ASP 14 -16.746 1.611 2.329 123 1HB ASP 14 HBS ASP 14 -15.317 0.997 0.415 124 2HB ASP 14 HBR ASP 14 -14.069 0.451 1.574 125 H ALA 15 HN ALA 15 -13.531 1.975 3.740 126 HA ALA 15 HA ALA 15 -13.802 0.490 6.058 127 1HB ALA 15 HMB ALA 15 -11.910 2.076 5.147 128 2HB ALA 15 HMB ALA 15 -12.682 3.258 6.236 129 3HB ALA 15 HMB ALA 15 -12.059 1.721 6.887 130 H GLY 16 HN GLY 16 -15.013 3.779 5.413 131 1HA GLY 16 HAR GLY 16 -17.179 4.270 6.555 132 2HA GLY 16 HAS GLY 16 -16.388 3.762 8.071 133 H ALA 17 HN ALA 17 -14.335 5.387 5.848 134 HA ALA 17 HA ALA 17 -14.054 7.807 7.333 135 1HB ALA 17 HMB ALA 17 -13.177 6.731 4.716 136 2HB ALA 17 HMB ALA 17 -13.245 8.505 4.862 137 3HB ALA 17 HMB ALA 17 -12.257 7.554 6.001 138 H GLU 18 HN GLU 18 -15.284 9.525 7.446 139 HA GLU 18 HA GLU 18 -17.406 9.920 5.387 140 1HB GLU 18 HBR GLU 18 -17.637 10.786 8.257 141 2HB GLU 18 HBS GLU 18 -18.795 10.801 7.043 142 1HG GLU 18 HGS GLU 18 -19.227 8.553 7.014 143 2HG GLU 18 HGR GLU 18 -17.701 8.088 7.814 144 H ARG 19 HN ARG 19 -14.522 10.803 5.914 145 HA ARG 19 HA ARG 19 -14.625 13.627 5.434 146 1HB ARG 19 HBS ARG 19 -13.541 14.033 7.822 147 2HB ARG 19 HBR ARG 19 -15.296 14.184 7.523 148 1HG ARG 19 HGS ARG 19 -15.788 12.514 8.932 149 2HG ARG 19 HGR ARG 19 -14.485 11.472 8.292 150 1HD ARG 19 HDS ARG 19 -13.606 11.790 10.321 151 2HD ARG 19 HDR ARG 19 -13.024 13.312 9.592 152 HE ARG 19 HE ARG 19 -14.752 14.492 10.746 153 1HH1 ARG 19 HH1 ARG 19 -14.910 11.031 11.398 154 2HH1 ARG 19 HH1 ARG 19 -15.721 11.242 12.913 155 1HH2 ARG 19 HH2 ARG 19 -15.698 14.735 12.791 156 2HH2 ARG 19 HH2 ARG 19 -16.169 13.338 13.702 157 H VAL 20 HN VAL 20 -13.080 12.958 3.934 158 HA VAL 20 HA VAL 20 -10.406 12.882 5.114 159 HB VAL 20 HB VAL 20 -11.077 10.978 2.869 160 1HG1 VAL 20 HMG VAL 20 -8.626 11.329 4.609 161 2HG1 VAL 20 HMG VAL 20 -8.900 9.936 3.536 162 3HG1 VAL 20 HMG VAL 20 -8.767 11.573 2.852 163 1HG2 VAL 20 HMG VAL 20 -10.845 10.363 5.823 164 2HG2 VAL 20 HMG VAL 20 -12.296 10.215 4.803 165 3HG2 VAL 20 HMG VAL 20 -10.897 9.152 4.519 166 H SER 21 HN SER 21 -9.541 14.662 4.422 167 HA SER 21 HA SER 21 -10.355 16.000 2.044 168 1HB SER 21 HBS SER 21 -9.559 17.293 3.865 169 2HB SER 21 HBR SER 21 -7.997 16.425 3.895 170 HG SER 21 HG SER 21 -7.635 18.365 2.956 171 H ASP 22 HN ASP 22 -8.968 16.632 0.271 172 HA ASP 22 HA ASP 22 -8.219 14.319 -1.102 173 1HB ASP 22 HBR ASP 22 -7.338 17.054 -1.972 174 2HB ASP 22 HBS ASP 22 -7.798 15.634 -2.954 175 H ASP 23 HN ASP 23 -6.372 16.366 0.968 176 HA ASP 23 HA ASP 23 -3.846 15.535 -0.193 177 1HB ASP 23 HBR ASP 23 -4.642 17.505 1.916 178 2HB ASP 23 HBS ASP 23 -2.940 16.994 1.727 179 H ALA 24 HN ALA 24 -5.811 14.723 2.571 180 HA ALA 24 HA ALA 24 -3.964 12.890 3.834 181 1HB ALA 24 HMB ALA 24 -6.698 13.703 4.111 182 2HB ALA 24 HMB ALA 24 -6.619 11.926 3.996 183 3HB ALA 24 HMB ALA 24 -5.669 12.782 5.237 184 H ARG 25 HN ARG 25 -6.410 12.694 1.244 185 HA ARG 25 HA ARG 25 -6.187 9.895 0.988 186 1HB ARG 25 HBS ARG 25 -7.593 12.090 -0.417 187 2HB ARG 25 HBR ARG 25 -7.272 10.633 -1.400 188 1HG ARG 25 HGS ARG 25 -8.867 10.846 1.171 189 2HG ARG 25 HGR ARG 25 -9.458 10.422 -0.459 190 1HD ARG 25 HDS ARG 25 -7.874 8.801 1.493 191 2HD ARG 25 HDR ARG 25 -9.351 8.383 0.582 192 HE ARG 25 HE ARG 25 -6.692 7.842 -0.209 193 1HH1 ARG 25 HH1 ARG 25 -9.717 9.034 -1.577 194 2HH1 ARG 25 HH1 ARG 25 -9.238 8.697 -3.207 195 1HH2 ARG 25 HH2 ARG 25 -6.029 7.600 -2.364 196 2HH2 ARG 25 HH2 ARG 25 -7.159 7.862 -3.651 197 H ILE 26 HN ILE 26 -4.468 12.524 -0.545 198 HA ILE 26 HA ILE 26 -3.235 10.861 -2.605 199 HB ILE 26 HB ILE 26 -3.626 13.411 -2.711 200 1HG1 ILE 26 HG1 ILE 26 -1.315 13.683 -3.890 201 2HG1 ILE 26 HG1 ILE 26 -1.074 11.970 -3.441 202 1HG2 ILE 26 HMG ILE 26 -1.172 13.400 -0.946 203 2HG2 ILE 26 HMG ILE 26 -1.682 14.786 -1.946 204 3HG2 ILE 26 HMG ILE 26 -2.746 14.185 -0.646 205 1HD1 ILE 26 HMD ILE 26 -3.671 12.302 -4.638 206 2HD1 ILE 26 HMD ILE 26 -2.422 13.014 -5.694 207 3HD1 ILE 26 HMD ILE 26 -2.291 11.310 -5.179 208 H THR 27 HN THR 27 -2.567 11.957 0.686 209 HA THR 27 HA THR 27 0.153 11.144 0.842 210 HB THR 27 HB THR 27 -2.002 11.449 3.004 211 HG1 THR 27 HG1 THR 27 -1.512 13.189 3.025 212 1HG2 THR 27 HMG THR 27 -0.072 9.904 3.663 213 2HG2 THR 27 HMG THR 27 0.961 11.352 3.561 214 3HG2 THR 27 HMG THR 27 -0.400 11.307 4.710 215 H LEU 28 HN LEU 28 -2.904 9.427 1.166 216 HA LEU 28 HA LEU 28 -1.772 6.990 2.304 217 1HB LEU 28 HBR LEU 28 -4.242 8.108 2.148 218 2HB LEU 28 HBS LEU 28 -4.312 6.986 0.764 219 HG LEU 28 HG LEU 28 -4.268 5.106 2.094 220 1HD1 LEU 28 HMD LEU 28 -2.297 5.724 3.469 221 2HD1 LEU 28 HMD LEU 28 -3.344 6.774 4.456 222 3HD1 LEU 28 HMD LEU 28 -3.623 5.015 4.422 223 1HD2 LEU 28 HMD LEU 28 -6.298 6.526 2.319 224 2HD2 LEU 28 HMD LEU 28 -6.005 5.459 3.718 225 3HD2 LEU 28 HMD LEU 28 -5.619 7.196 3.825 226 H ALA 29 HN ALA 29 -2.979 8.027 -0.904 227 HA ALA 29 HA ALA 29 -1.968 5.956 -2.422 228 1HB ALA 29 HMB ALA 29 -2.506 8.851 -2.950 229 2HB ALA 29 HMB ALA 29 -1.651 7.891 -4.184 230 3HB ALA 29 HMB ALA 29 -3.268 7.389 -3.628 231 H LYS 30 HN LYS 30 -0.249 8.868 -1.303 232 HA LYS 30 HA LYS 30 2.227 8.162 -2.455 233 1HB LYS 30 HBS LYS 30 1.291 10.382 -1.282 234 2HB LYS 30 HBR LYS 30 2.225 9.717 0.089 235 1HG LYS 30 HGR LYS 30 4.258 9.956 -1.003 236 2HG LYS 30 HGS LYS 30 3.513 9.912 -2.626 237 1HD LYS 30 HDS LYS 30 3.514 12.193 -0.658 238 2HD LYS 30 HDR LYS 30 4.346 12.091 -2.185 239 1HE LYS 30 HES LYS 30 1.576 11.610 -2.667 240 2HE LYS 30 HER LYS 30 1.766 13.082 -1.673 241 1HZ LYS 30 HZA LYS 30 3.236 12.570 -4.164 242 2HZ LYS 30 HZB LYS 30 1.882 13.477 -4.067 243 3HZ LYS 30 HZC LYS 30 3.239 13.951 -3.292 244 H ILE 31 HN ILE 31 0.749 7.351 0.641 245 HA ILE 31 HA ILE 31 3.023 6.077 1.850 246 HB ILE 31 HB ILE 31 0.010 6.000 2.208 247 1HG1 ILE 31 HG1 ILE 31 2.021 6.651 4.339 248 2HG1 ILE 31 HG1 ILE 31 1.780 7.796 2.989 249 1HG2 ILE 31 HMG ILE 31 1.041 3.679 2.661 250 2HG2 ILE 31 HMG ILE 31 1.777 4.456 4.086 251 3HG2 ILE 31 HMG ILE 31 0.003 4.427 3.903 252 1HD1 ILE 31 HMD ILE 31 -0.695 7.725 3.547 253 2HD1 ILE 31 HMD ILE 31 -0.238 6.871 5.045 254 3HD1 ILE 31 HMD ILE 31 0.360 8.524 4.742 255 H LEU 32 HN LEU 32 0.105 4.528 0.477 256 HA LEU 32 HA LEU 32 1.107 2.008 0.413 257 1HB LEU 32 HBS LEU 32 -1.087 3.508 -0.851 258 2HB LEU 32 HBR LEU 32 -0.651 1.992 -1.690 259 HG LEU 32 HG LEU 32 -0.832 1.115 0.871 260 1HD1 LEU 32 HMD LEU 32 -2.816 3.380 0.519 261 2HD1 LEU 32 HMD LEU 32 -2.999 2.071 1.714 262 3HD1 LEU 32 HMD LEU 32 -1.606 3.180 1.811 263 1HD2 LEU 32 HMD LEU 32 -2.615 1.282 -1.507 264 2HD2 LEU 32 HMD LEU 32 -1.945 -0.139 -0.666 265 3HD2 LEU 32 HMD LEU 32 -3.349 0.719 0.017 266 H GLU 33 HN GLU 33 1.488 4.476 -2.076 267 HA GLU 33 HA GLU 33 2.839 2.731 -3.911 268 1HB GLU 33 HBR GLU 33 1.544 4.786 -4.430 269 2HB GLU 33 HBS GLU 33 2.665 5.696 -3.575 270 1HG GLU 33 HGS GLU 33 3.916 4.073 -5.664 271 2HG GLU 33 HGR GLU 33 2.868 5.365 -6.312 272 H GLU 34 HN GLU 34 3.829 4.556 -1.136 273 HA GLU 34 HA GLU 34 6.695 4.473 -1.591 274 1HB GLU 34 HBS GLU 34 4.843 5.385 0.253 275 2HB GLU 34 HBR GLU 34 5.655 4.215 1.140 276 1HG GLU 34 HGS GLU 34 6.858 6.195 1.577 277 2HG GLU 34 HGR GLU 34 7.881 5.471 0.307 278 H MET 35 HN MET 35 4.613 2.582 0.639 279 HA MET 35 HA MET 35 6.456 0.588 1.102 280 1HB MET 35 HBS MET 35 3.447 0.627 1.312 281 2HB MET 35 HBR MET 35 4.402 -0.819 1.747 282 1HG MET 35 HGS MET 35 5.774 0.671 3.282 283 2HG MET 35 HGR MET 35 4.602 1.968 2.945 284 1HE MET 35 HME MET 35 5.775 -0.548 4.871 285 2HE MET 35 HME MET 35 4.716 -0.256 6.274 286 3HE MET 35 HME MET 35 4.530 -1.743 5.311 287 H GLY 36 HN GLY 36 4.073 0.806 -1.491 288 1HA GLY 36 HAR GLY 36 4.305 -1.813 -2.476 289 2HA GLY 36 HAS GLY 36 3.784 -0.396 -3.429 290 H ARG 37 HN ARG 37 6.060 1.166 -3.387 291 HA ARG 37 HA ARG 37 7.889 -0.011 -5.230 292 1HB ARG 37 HBS ARG 37 7.617 2.402 -5.027 293 2HB ARG 37 HBR ARG 37 8.251 2.350 -3.356 294 1HG ARG 37 HGS ARG 37 9.926 1.311 -5.629 295 2HG ARG 37 HGR ARG 37 9.802 3.070 -5.343 296 1HD ARG 37 HDS ARG 37 10.260 1.551 -2.904 297 2HD ARG 37 HDR ARG 37 11.542 1.315 -4.125 298 HE ARG 37 HE ARG 37 11.226 4.018 -4.106 299 1HH1 ARG 37 HH1 ARG 37 11.420 1.765 -1.401 300 2HH1 ARG 37 HH1 ARG 37 12.358 2.846 -0.425 301 1HH2 ARG 37 HH2 ARG 37 12.561 5.353 -2.852 302 2HH2 ARG 37 HH2 ARG 37 13.003 4.878 -1.245 303 H ASP 38 HN ASP 38 7.584 -0.098 -1.767 304 HA ASP 38 HA ASP 38 10.358 -0.730 -1.368 305 1HB ASP 38 HBR ASP 38 8.015 -0.242 0.418 306 2HB ASP 38 HBS ASP 38 9.497 -1.001 1.070 307 H ILE 39 HN ILE 39 7.315 -2.541 -1.081 308 HA ILE 39 HA ILE 39 8.536 -5.066 -0.359 309 HB ILE 39 HB ILE 39 5.908 -4.630 -1.850 310 1HG1 ILE 39 HG1 ILE 39 6.114 -4.710 1.166 311 2HG1 ILE 39 HG1 ILE 39 6.307 -3.178 0.268 312 1HG2 ILE 39 HMG ILE 39 6.858 -6.809 0.022 313 2HG2 ILE 39 HMG ILE 39 5.196 -6.651 -0.605 314 3HG2 ILE 39 HMG ILE 39 6.550 -6.941 -1.729 315 1HD1 ILE 39 HMD ILE 39 3.910 -4.898 -0.263 316 2HD1 ILE 39 HMD ILE 39 3.966 -3.900 1.215 317 3HD1 ILE 39 HMD ILE 39 4.098 -3.129 -0.388 318 H ALA 40 HN ALA 40 8.153 -3.166 -3.244 319 HA ALA 40 HA ALA 40 8.397 -5.275 -5.199 320 1HB ALA 40 HMB ALA 40 7.520 -2.989 -5.653 321 2HB ALA 40 HMB ALA 40 9.168 -2.352 -5.424 322 3HB ALA 40 HMB ALA 40 8.831 -3.493 -6.749 323 H SER 41 HN SER 41 10.751 -2.696 -4.414 324 HA SER 41 HA SER 41 13.005 -4.124 -5.251 325 1HB SER 41 HBS SER 41 14.306 -2.502 -3.870 326 2HB SER 41 HBR SER 41 13.151 -1.769 -5.021 327 HG SER 41 HG SER 41 12.778 -0.605 -3.310 328 H GLU 42 HN GLU 42 11.105 -4.532 -2.438 329 HA GLU 42 HA GLU 42 13.094 -5.970 -0.843 330 1HB GLU 42 HBS GLU 42 10.227 -5.380 -0.886 331 2HB GLU 42 HBR GLU 42 10.565 -6.873 -0.198 332 1HG GLU 42 HGR GLU 42 11.571 -4.098 0.693 333 2HG GLU 42 HGS GLU 42 10.456 -5.199 1.548 334 H ALA 43 HN ALA 43 10.120 -7.035 -2.549 335 HA ALA 43 HA ALA 43 10.793 -9.693 -2.769 336 1HB ALA 43 HMB ALA 43 8.590 -8.545 -3.268 337 2HB ALA 43 HMB ALA 43 9.234 -8.219 -4.896 338 3HB ALA 43 HMB ALA 43 9.045 -9.898 -4.333 339 H ILE 44 HN ILE 44 12.150 -7.048 -4.484 340 HA ILE 44 HA ILE 44 13.055 -8.699 -6.715 341 HB ILE 44 HB ILE 44 13.217 -5.729 -6.037 342 1HG1 ILE 44 HG1 ILE 44 11.788 -7.138 -8.315 343 2HG1 ILE 44 HG1 ILE 44 11.048 -6.846 -6.715 344 1HG2 ILE 44 HMG ILE 44 15.217 -6.674 -7.414 345 2HG2 ILE 44 HMG ILE 44 14.024 -6.748 -8.737 346 3HG2 ILE 44 HMG ILE 44 14.380 -5.192 -7.942 347 1HD1 ILE 44 HMD ILE 44 11.379 -4.411 -7.052 348 2HD1 ILE 44 HMD ILE 44 12.016 -4.751 -8.683 349 3HD1 ILE 44 HMD ILE 44 10.324 -5.150 -8.285 350 H LYS 45 HN LYS 45 14.616 -6.606 -4.256 351 HA LYS 45 HA LYS 45 17.204 -7.734 -4.359 352 1HB LYS 45 HBS LYS 45 16.216 -5.750 -2.940 353 2HB LYS 45 HBR LYS 45 15.947 -7.032 -1.725 354 1HG LYS 45 HGR LYS 45 18.435 -7.619 -2.063 355 2HG LYS 45 HGS LYS 45 18.563 -6.041 -2.891 356 1HD LYS 45 HDS LYS 45 19.207 -5.560 -0.734 357 2HD LYS 45 HDR LYS 45 17.562 -5.000 -0.854 358 1HE LYS 45 HES LYS 45 16.702 -6.782 0.412 359 2HE LYS 45 HER LYS 45 18.225 -7.703 0.258 360 1HZ LYS 45 HZB LYS 45 18.964 -5.383 1.404 361 2HZ LYS 45 HZC LYS 45 17.528 -5.683 2.122 362 3HZ LYS 45 HZA LYS 45 18.722 -6.794 2.189 363 H LEU 46 HN LEU 46 14.191 -9.082 -3.404 364 HA LEU 46 HA LEU 46 15.309 -11.144 -1.739 365 1HB LEU 46 HBS LEU 46 12.713 -10.145 -2.653 366 2HB LEU 46 HBR LEU 46 12.763 -11.923 -2.491 367 HG LEU 46 HG LEU 46 13.345 -11.750 -0.162 368 1HD1 LEU 46 HMD LEU 46 14.607 -9.509 -0.700 369 2HD1 LEU 46 HMD LEU 46 13.046 -8.763 -0.273 370 3HD1 LEU 46 HMD LEU 46 13.902 -9.781 0.914 371 1HD2 LEU 46 HMD LEU 46 10.917 -11.248 -1.164 372 2HD2 LEU 46 HMD LEU 46 11.260 -11.207 0.585 373 3HD2 LEU 46 HMD LEU 46 11.198 -9.690 -0.347 374 H ALA 47 HN ALA 47 13.960 -11.061 -5.048 375 HA ALA 47 HA ALA 47 14.381 -13.862 -5.605 376 1HB ALA 47 HMB ALA 47 14.076 -11.471 -7.442 377 2HB ALA 47 HMB ALA 47 14.017 -13.183 -7.930 378 3HB ALA 47 HMB ALA 47 12.769 -12.522 -6.842 379 H ARG 48 HN ARG 48 16.381 -11.054 -5.432 380 HA ARG 48 HA ARG 48 18.500 -12.196 -7.039 381 1HB ARG 48 HBR ARG 48 18.303 -9.722 -5.300 382 2HB ARG 48 HBS ARG 48 19.794 -10.203 -6.159 383 1HG ARG 48 HGS ARG 48 17.519 -10.188 -7.959 384 2HG ARG 48 HGR ARG 48 17.689 -8.616 -7.129 385 1HD ARG 48 HDS ARG 48 19.911 -10.080 -8.552 386 2HD ARG 48 HDR ARG 48 18.927 -8.770 -9.260 387 HE ARG 48 HE ARG 48 21.196 -8.413 -7.645 388 1HH1 ARG 48 HH1 ARG 48 17.950 -7.114 -8.098 389 2HH1 ARG 48 HH1 ARG 48 18.308 -5.636 -7.270 390 1HH2 ARG 48 HH2 ARG 48 21.589 -6.523 -6.457 391 2HH2 ARG 48 HH2 ARG 48 20.367 -5.300 -6.342 392 H HIS 49 HN HIS 49 18.590 -10.999 -3.664 393 HA HIS 49 HA HIS 49 21.037 -12.319 -3.179 394 1HB HIS 49 HBS HIS 49 20.897 -11.615 -0.881 395 2HB HIS 49 HBR HIS 49 20.320 -10.286 -1.925 396 HD1 HIS 49 HD1 HIS 49 17.465 -12.335 -1.943 397 HD2 HIS 49 HD2 HIS 49 19.319 -10.136 1.066 398 HE1 HIS 49 HE1 HIS 49 15.836 -12.228 -0.041 399 HE2 HIS 49 HE2 HIS 49 16.931 -10.849 1.760 400 H ALA 50 HN ALA 50 17.881 -13.554 -3.199 401 HA ALA 50 HA ALA 50 18.314 -15.904 -1.559 402 1HB ALA 50 HMB ALA 50 16.092 -15.106 -2.379 403 2HB ALA 50 HMB ALA 50 16.586 -15.580 -4.024 404 3HB ALA 50 HMB ALA 50 16.447 -16.813 -2.746 405 H GLY 51 HN GLY 51 18.804 -15.004 -4.975 406 1HA GLY 51 HAR GLY 51 20.471 -15.983 -6.439 407 2HA GLY 51 HAS GLY 51 20.511 -17.418 -5.379 408 H ARG 52 HN ARG 52 17.708 -15.578 -6.602 409 HA ARG 52 HA ARG 52 16.615 -18.156 -7.631 410 1HB ARG 52 HBS ARG 52 15.291 -15.996 -5.963 411 2HB ARG 52 HBR ARG 52 14.404 -17.297 -6.811 412 1HG ARG 52 HGS ARG 52 16.432 -17.613 -4.572 413 2HG ARG 52 HGR ARG 52 14.669 -17.884 -4.481 414 1HD ARG 52 HDS ARG 52 16.764 -19.477 -5.928 415 2HD ARG 52 HDR ARG 52 15.606 -20.008 -4.677 416 HE ARG 52 HE ARG 52 13.846 -19.503 -6.483 417 1HH1 ARG 52 HH1 ARG 52 17.039 -20.893 -7.034 418 2HH1 ARG 52 HH1 ARG 52 16.604 -21.556 -8.574 419 1HH2 ARG 52 HH2 ARG 52 13.352 -20.276 -8.556 420 2HH2 ARG 52 HH2 ARG 52 14.518 -21.209 -9.435 421 H LYS 53 HN LYS 53 14.515 -17.702 -8.884 422 HA LYS 53 HA LYS 53 15.126 -15.561 -10.872 423 1HB LYS 53 HBS LYS 53 14.595 -18.505 -11.214 424 2HB LYS 53 HBR LYS 53 14.130 -17.346 -12.493 425 1HG LYS 53 HGR LYS 53 16.826 -16.781 -11.661 426 2HG LYS 53 HGS LYS 53 16.681 -18.529 -12.008 427 1HD LYS 53 HDS LYS 53 16.964 -18.041 -14.131 428 2HD LYS 53 HDR LYS 53 15.327 -17.444 -14.092 429 1HE LYS 53 HES LYS 53 15.964 -15.372 -14.502 430 2HE LYS 53 HER LYS 53 17.105 -15.413 -13.128 431 1HZ LYS 53 HZA LYS 53 18.300 -16.906 -15.016 432 2HZ LYS 53 HZB LYS 53 17.617 -15.717 -15.903 433 3HZ LYS 53 HZC LYS 53 18.643 -15.343 -14.689 434 H THR 54 HN THR 54 13.489 -14.364 -11.537 435 HA THR 54 HA THR 54 11.376 -13.558 -11.891 436 HB THR 54 HB THR 54 10.475 -16.463 -11.460 437 HG1 THR 54 HG1 THR 54 10.808 -14.823 -13.601 438 1HG2 THR 54 HMG THR 54 8.942 -13.995 -12.033 439 2HG2 THR 54 HMG THR 54 8.546 -15.423 -13.022 440 3HG2 THR 54 HMG THR 54 8.447 -15.514 -11.245 441 H ILE 55 HN ILE 55 9.866 -12.577 -10.650 442 HA ILE 55 HA ILE 55 9.745 -13.317 -7.778 443 HB ILE 55 HB ILE 55 8.866 -10.816 -9.298 444 1HG1 ILE 55 HG1 ILE 55 11.084 -11.336 -7.283 445 2HG1 ILE 55 HG1 ILE 55 11.266 -11.034 -9.036 446 1HG2 ILE 55 HMG ILE 55 7.381 -11.479 -7.320 447 2HG2 ILE 55 HMG ILE 55 8.790 -11.085 -6.301 448 3HG2 ILE 55 HMG ILE 55 8.065 -9.831 -7.341 449 1HD1 ILE 55 HMD ILE 55 9.790 -8.881 -7.802 450 2HD1 ILE 55 HMD ILE 55 11.328 -9.153 -6.940 451 3HD1 ILE 55 HMD ILE 55 11.333 -8.837 -8.696 452 H LYS 56 HN LYS 56 7.594 -13.238 -6.770 453 HA LYS 56 HA LYS 56 5.346 -14.105 -8.388 454 1HB LYS 56 HBS LYS 56 7.158 -16.110 -7.117 455 2HB LYS 56 HBR LYS 56 5.396 -16.351 -6.946 456 1HG LYS 56 HGR LYS 56 5.966 -15.700 -9.684 457 2HG LYS 56 HGS LYS 56 7.079 -16.996 -9.164 458 1HD LYS 56 HDS LYS 56 5.405 -18.335 -9.759 459 2HD LYS 56 HDR LYS 56 4.880 -17.994 -8.133 460 1HE LYS 56 HES LYS 56 3.674 -15.946 -9.366 461 2HE LYS 56 HER LYS 56 3.729 -17.131 -10.701 462 1HZ LYS 56 HZA LYS 56 2.870 -18.665 -8.793 463 2HZ LYS 56 HZB LYS 56 2.296 -17.258 -8.193 464 3HZ LYS 56 HZC LYS 56 1.844 -17.758 -9.681 465 H ALA 57 HN ALA 57 3.636 -15.085 -6.868 466 HA ALA 57 HA ALA 57 3.075 -13.359 -4.695 467 1HB ALA 57 HMB ALA 57 1.480 -14.817 -6.031 468 2HB ALA 57 HMB ALA 57 2.017 -16.170 -5.004 469 3HB ALA 57 HMB ALA 57 1.231 -14.751 -4.267 470 H GLU 58 HN GLU 58 5.059 -16.190 -4.971 471 HA GLU 58 HA GLU 58 5.362 -16.774 -2.145 472 1HB GLU 58 HBS GLU 58 5.923 -18.050 -4.277 473 2HB GLU 58 HBR GLU 58 7.318 -17.129 -4.418 474 1HG GLU 58 HGS GLU 58 7.802 -19.269 -3.341 475 2HG GLU 58 HGR GLU 58 8.071 -18.009 -2.107 476 H ASP 59 HN ASP 59 7.325 -14.973 -4.555 477 HA ASP 59 HA ASP 59 9.072 -13.812 -2.748 478 1HB ASP 59 HBR ASP 59 8.193 -12.439 -5.276 479 2HB ASP 59 HBS ASP 59 9.768 -12.356 -4.443 480 H ILE 60 HN ILE 60 6.001 -12.478 -3.961 481 HA ILE 60 HA ILE 60 6.357 -9.903 -2.890 482 HB ILE 60 HB ILE 60 3.809 -11.428 -3.614 483 1HG1 ILE 60 HG1 ILE 60 5.371 -11.255 -5.449 484 2HG1 ILE 60 HG1 ILE 60 3.971 -10.185 -5.743 485 1HG2 ILE 60 HMG ILE 60 3.707 -9.247 -2.098 486 2HG2 ILE 60 HMG ILE 60 3.872 -8.455 -3.687 487 3HG2 ILE 60 HMG ILE 60 2.520 -9.577 -3.387 488 1HD1 ILE 60 HMD ILE 60 6.695 -9.301 -4.744 489 2HD1 ILE 60 HMD ILE 60 6.088 -9.139 -6.414 490 3HD1 ILE 60 HMD ILE 60 5.299 -8.244 -5.087 491 H GLU 61 HN GLU 61 4.502 -12.677 -1.600 492 HA GLU 61 HA GLU 61 3.784 -11.508 0.847 493 1HB GLU 61 HBR GLU 61 3.542 -13.939 -0.492 494 2HB GLU 61 HBS GLU 61 4.497 -14.332 0.833 495 1HG GLU 61 HGS GLU 61 2.625 -12.816 2.094 496 2HG GLU 61 HGR GLU 61 1.607 -13.651 0.890 497 H LEU 62 HN LEU 62 6.661 -13.437 -0.032 498 HA LEU 62 HA LEU 62 7.947 -13.417 2.447 499 1HB LEU 62 HBS LEU 62 8.489 -14.058 -0.296 500 2HB LEU 62 HBR LEU 62 9.891 -13.190 0.390 501 HG LEU 62 HG LEU 62 9.934 -14.862 2.240 502 1HD1 LEU 62 HMD LEU 62 7.567 -15.777 0.696 503 2HD1 LEU 62 HMD LEU 62 8.663 -17.049 1.292 504 3HD1 LEU 62 HMD LEU 62 7.926 -15.900 2.437 505 1HD2 LEU 62 HMD LEU 62 10.441 -15.423 -0.634 506 2HD2 LEU 62 HMD LEU 62 11.551 -15.449 0.759 507 3HD2 LEU 62 HMD LEU 62 10.461 -16.826 0.465 508 H ALA 63 HN ALA 63 8.379 -11.113 -0.265 509 HA ALA 63 HA ALA 63 10.052 -9.333 1.005 510 1HB ALA 63 HMB ALA 63 7.986 -9.022 -1.156 511 2HB ALA 63 HMB ALA 63 8.893 -7.610 -0.554 512 3HB ALA 63 HMB ALA 63 9.765 -8.993 -1.262 513 H VAL 64 HN VAL 64 6.545 -9.609 1.270 514 HA VAL 64 HA VAL 64 6.365 -7.032 2.486 515 HB VAL 64 HB VAL 64 4.820 -8.596 0.907 516 1HG1 VAL 64 HMG VAL 64 3.657 -8.877 3.651 517 2HG1 VAL 64 HMG VAL 64 2.567 -8.618 2.268 518 3HG1 VAL 64 HMG VAL 64 3.680 -10.008 2.278 519 1HG2 VAL 64 HMG VAL 64 4.932 -6.039 1.442 520 2HG2 VAL 64 HMG VAL 64 3.506 -6.763 0.658 521 3HG2 VAL 64 HMG VAL 64 3.468 -6.379 2.396 522 H ARG 65 HN ARG 65 5.375 -10.262 3.710 523 HA ARG 65 HA ARG 65 5.329 -9.600 6.440 524 1HB ARG 65 HBS ARG 65 5.644 -11.941 6.905 525 2HB ARG 65 HBR ARG 65 4.525 -11.737 5.525 526 1HG ARG 65 HGS ARG 65 5.853 -12.891 4.133 527 2HG ARG 65 HGR ARG 65 7.333 -12.086 4.728 528 1HD ARG 65 HDS ARG 65 7.863 -13.885 5.872 529 2HD ARG 65 HDR ARG 65 6.337 -13.757 6.794 530 HE ARG 65 HE ARG 65 6.260 -15.070 4.150 531 1HH1 ARG 65 HH1 ARG 65 6.491 -15.476 7.645 532 2HH1 ARG 65 HH1 ARG 65 5.738 -17.035 7.623 533 1HH2 ARG 65 HH2 ARG 65 5.164 -17.054 4.176 534 2HH2 ARG 65 HH2 ARG 65 4.989 -17.930 5.660 535 H ARG 66 HN ARG 66 7.979 -9.757 4.267 536 HA ARG 66 HA ARG 66 10.049 -9.960 6.324 537 1HB ARG 66 HBS ARG 66 10.503 -10.645 4.000 538 2HB ARG 66 HBR ARG 66 10.212 -8.966 3.460 539 1HG ARG 66 HGS ARG 66 12.515 -9.031 3.562 540 2HG ARG 66 HGR ARG 66 12.105 -8.386 5.177 541 1HD ARG 66 HDS ARG 66 12.044 -11.188 5.388 542 2HD ARG 66 HDR ARG 66 13.512 -10.776 4.456 543 HE ARG 66 HE ARG 66 13.968 -9.154 6.388 544 1HH1 ARG 66 HH1 ARG 66 12.492 -12.340 6.701 545 2HH1 ARG 66 HH1 ARG 66 12.852 -12.461 8.390 546 1HH2 ARG 66 HH2 ARG 66 14.308 -9.294 8.625 547 2HH2 ARG 66 HH2 ARG 66 13.883 -10.739 9.480 548 H PHE 67 HN PHE 67 8.278 -7.462 4.543 549 HA PHE 67 HA PHE 67 9.518 -5.182 5.599 550 1HB PHE 67 HBR PHE 67 7.188 -5.655 4.076 551 2HB PHE 67 HBS PHE 67 6.632 -4.807 5.549 552 HD1 PHE 67 HD2 PHE 67 9.256 -3.154 5.954 553 HD2 PHE 67 HD1 PHE 67 6.637 -3.876 2.672 554 HE1 PHE 67 HE2 PHE 67 9.920 -0.991 4.956 555 HE2 PHE 67 HE1 PHE 67 7.322 -1.759 1.634 556 HZ PHE 67 HZ PHE 67 8.862 -0.254 2.839 557 H LYS 68 HN LYS 68 7.000 -7.272 6.983 558 HA LYS 68 HA LYS 68 6.609 -5.946 9.422 559 1HB LYS 68 HBS LYS 68 6.777 -8.953 9.083 560 2HB LYS 68 HBR LYS 68 5.892 -8.031 10.333 561 1HG LYS 68 HGR LYS 68 5.247 -7.810 7.376 562 2HG LYS 68 HGS LYS 68 4.504 -9.043 8.434 563 1HD LYS 68 HDS LYS 68 4.360 -6.060 8.882 564 2HD LYS 68 HDR LYS 68 3.145 -7.012 8.072 565 1HE LYS 68 HES LYS 68 3.024 -8.440 10.173 566 2HE LYS 68 HER LYS 68 3.974 -7.141 10.947 567 1HZ LYS 68 HZA LYS 68 1.446 -6.660 9.536 568 2HZ LYS 68 HZB LYS 68 1.531 -6.938 11.142 569 3HZ LYS 68 HZC LYS 68 2.261 -5.626 10.502 570 H LYS 69 HN LYS 69 8.304 -5.108 10.465 571 HA LYS 69 HA LYS 69 10.279 -4.920 11.617 572 1HB LYS 69 HBS LYS 69 10.691 -7.885 11.700 573 2HB LYS 69 HBR LYS 69 11.063 -6.632 12.918 574 1HG LYS 69 HGR LYS 69 9.174 -7.116 14.005 575 2HG LYS 69 HGS LYS 69 8.221 -6.712 12.549 576 1HD LYS 69 HDS LYS 69 9.264 -9.233 12.016 577 2HD LYS 69 HDR LYS 69 8.879 -9.289 13.715 578 1HE LYS 69 HES LYS 69 6.713 -8.020 12.342 579 2HE LYS 69 HER LYS 69 7.133 -9.560 11.540 580 1HZ LYS 69 HZB LYS 69 7.069 -10.534 13.812 581 2HZ LYS 69 HZC LYS 69 6.397 -9.145 14.349 582 3HZ LYS 69 HZA LYS 69 5.621 -10.048 13.231 583 1H MET 1 HN MET 1 -11.133 1.067 -7.579 584 2H MET 1 HNC MET 1 -12.740 1.194 -7.843 585 3H MET 1 HNB MET 1 -12.172 1.054 -6.319 586 HA MET 1 HA MET 1 -12.964 -1.014 -6.724 587 1HB MET 1 HBS MET 1 -12.647 -0.214 -9.394 588 2HB MET 1 HBR MET 1 -11.619 -1.664 -9.208 589 1HG MET 1 HGS MET 1 -13.544 -2.901 -8.253 590 2HG MET 1 HGR MET 1 -14.553 -1.444 -8.423 591 1HE MET 1 HME MET 1 -16.158 -2.533 -9.576 592 2HE MET 1 HME MET 1 -16.140 -1.447 -10.989 593 3HE MET 1 HME MET 1 -16.154 -3.214 -11.222 594 H GLU 2 HN GLU 2 -11.369 -3.074 -7.740 595 HA GLU 2 HA GLU 2 -9.176 -3.223 -5.838 596 1HB GLU 2 HBR GLU 2 -8.704 -5.288 -7.078 597 2HB GLU 2 HBS GLU 2 -10.244 -5.149 -6.425 598 1HG GLU 2 HGS GLU 2 -11.352 -4.733 -8.439 599 2HG GLU 2 HGR GLU 2 -9.848 -4.475 -9.363 600 H LEU 3 HN LEU 3 -7.114 -2.699 -6.122 601 HA LEU 3 HA LEU 3 -6.279 -0.926 -8.083 602 1HB LEU 3 HBR LEU 3 -4.437 -2.807 -6.610 603 2HB LEU 3 HBS LEU 3 -4.148 -1.116 -7.108 604 HG LEU 3 HG LEU 3 -5.961 -2.075 -4.879 605 1HD1 LEU 3 HMD LEU 3 -3.207 -0.923 -5.050 606 2HD1 LEU 3 HMD LEU 3 -4.255 -0.407 -3.705 607 3HD1 LEU 3 HMD LEU 3 -3.877 -2.134 -3.928 608 1HD2 LEU 3 HMD LEU 3 -5.374 0.675 -6.014 609 2HD2 LEU 3 HMD LEU 3 -6.941 -0.172 -5.979 610 3HD2 LEU 3 HMD LEU 3 -6.194 0.381 -4.459 611 HA PRO 4 HA PRO 4 -5.760 -3.583 -11.665 612 1HB PRO 4 HBR PRO 4 -4.899 -1.406 -13.044 613 2HB PRO 4 HBS PRO 4 -6.385 -2.097 -13.155 614 1HG PRO 4 HGS PRO 4 -5.667 0.257 -11.850 615 2HG PRO 4 HGR PRO 4 -7.185 -0.239 -12.336 616 1HD PRO 4 HDS PRO 4 -6.354 -0.219 -9.807 617 2HD PRO 4 HDR PRO 4 -7.626 -1.115 -10.366 618 H ILE 5 HN ILE 5 -4.094 -4.578 -12.612 619 HA ILE 5 HA ILE 5 -1.859 -4.650 -10.856 620 HB ILE 5 HB ILE 5 -0.987 -6.358 -12.546 621 1HG1 ILE 5 HG1 ILE 5 -3.631 -5.729 -13.916 622 2HG1 ILE 5 HG1 ILE 5 -1.997 -5.361 -14.537 623 1HG2 ILE 5 HMG ILE 5 -3.362 -6.520 -10.883 624 2HG2 ILE 5 HMG ILE 5 -3.403 -7.688 -12.230 625 3HG2 ILE 5 HMG ILE 5 -2.025 -7.680 -11.098 626 1HD1 ILE 5 HMD ILE 5 -1.654 -7.954 -14.310 627 2HD1 ILE 5 HMD ILE 5 -3.437 -7.987 -14.360 628 3HD1 ILE 5 HMD ILE 5 -2.518 -7.271 -15.712 629 H ALA 6 HN ALA 6 -2.520 -2.815 -13.673 630 HA ALA 6 HA ALA 6 0.091 -2.774 -14.818 631 1HB ALA 6 HMB ALA 6 -2.499 -1.394 -15.226 632 2HB ALA 6 HMB ALA 6 -1.047 -0.515 -15.770 633 3HB ALA 6 HMB ALA 6 -1.391 -2.145 -16.401 634 HA PRO 7 HA PRO 7 0.408 1.623 -12.801 635 1HB PRO 7 HBR PRO 7 -1.299 1.989 -10.746 636 2HB PRO 7 HBS PRO 7 -1.410 2.715 -12.215 637 1HG PRO 7 HGS PRO 7 -2.944 0.619 -11.199 638 2HG PRO 7 HGR PRO 7 -3.308 1.662 -12.450 639 1HD PRO 7 HDS PRO 7 -2.573 -0.888 -12.764 640 2HD PRO 7 HDR PRO 7 -2.528 0.259 -13.954 641 H ILE 8 HN ILE 8 -0.661 -0.796 -10.555 642 HA ILE 8 HA ILE 8 1.345 -0.443 -8.626 643 HB ILE 8 HB ILE 8 -0.091 -2.986 -9.532 644 1HG1 ILE 8 HG1 ILE 8 -0.686 -0.922 -7.380 645 2HG1 ILE 8 HG1 ILE 8 -1.632 -1.267 -8.856 646 1HG2 ILE 8 HMG ILE 8 1.918 -2.544 -7.421 647 2HG2 ILE 8 HMG ILE 8 0.445 -3.411 -6.909 648 3HG2 ILE 8 HMG ILE 8 1.424 -4.039 -8.262 649 1HD1 ILE 8 HMD ILE 8 -1.372 -3.679 -7.322 650 2HD1 ILE 8 HMD ILE 8 -1.952 -2.364 -6.265 651 3HD1 ILE 8 HMD ILE 8 -2.842 -2.768 -7.758 652 H GLY 9 HN GLY 9 1.313 -2.631 -11.462 653 1HA GLY 9 HAR GLY 9 3.776 -3.780 -11.105 654 2HA GLY 9 HAS GLY 9 3.026 -3.551 -12.708 655 H ARG 10 HN ARG 10 3.044 -0.609 -12.456 656 HA ARG 10 HA ARG 10 5.686 -0.145 -13.475 657 1HB ARG 10 HBR ARG 10 3.431 0.956 -14.138 658 2HB ARG 10 HBS ARG 10 3.747 2.051 -12.761 659 1HG ARG 10 HGS ARG 10 5.831 1.623 -14.898 660 2HG ARG 10 HGR ARG 10 4.475 2.758 -15.156 661 1HD ARG 10 HDS ARG 10 5.287 3.464 -12.672 662 2HD ARG 10 HDR ARG 10 6.831 2.951 -13.408 663 HE ARG 10 HE ARG 10 5.368 5.348 -13.982 664 1HH1 ARG 10 HH1 ARG 10 7.625 2.984 -15.305 665 2HH1 ARG 10 HH1 ARG 10 8.092 4.005 -16.623 666 1HH2 ARG 10 HH2 ARG 10 5.908 6.603 -15.791 667 2HH2 ARG 10 HH2 ARG 10 7.122 6.054 -16.898 668 H ILE 11 HN ILE 11 4.000 0.638 -10.458 669 HA ILE 11 HA ILE 11 6.065 2.132 -9.205 670 HB ILE 11 HB ILE 11 3.959 0.245 -8.043 671 1HG1 ILE 11 HG1 ILE 11 4.015 3.266 -8.415 672 2HG1 ILE 11 HG1 ILE 11 3.043 2.092 -9.348 673 1HG2 ILE 11 HMG ILE 11 5.851 0.608 -6.483 674 2HG2 ILE 11 HMG ILE 11 5.536 2.361 -6.566 675 3HG2 ILE 11 HMG ILE 11 4.299 1.263 -5.898 676 1HD1 ILE 11 HMD ILE 11 2.011 1.464 -7.061 677 2HD1 ILE 11 HMD ILE 11 2.700 3.010 -6.499 678 3HD1 ILE 11 HMD ILE 11 1.519 2.993 -7.836 679 H ILE 12 HN ILE 12 5.333 -1.374 -9.086 680 HA ILE 12 HA ILE 12 7.662 -2.150 -7.693 681 HB ILE 12 HB ILE 12 6.196 -3.829 -9.780 682 1HG1 ILE 12 HG1 ILE 12 4.460 -2.838 -8.507 683 2HG1 ILE 12 HG1 ILE 12 4.668 -4.500 -7.888 684 1HG2 ILE 12 HMG ILE 12 8.336 -4.471 -8.175 685 2HG2 ILE 12 HMG ILE 12 6.941 -5.088 -7.252 686 3HG2 ILE 12 HMG ILE 12 7.204 -5.621 -8.933 687 1HD1 ILE 12 HMD ILE 12 5.820 -2.018 -6.581 688 2HD1 ILE 12 HMD ILE 12 4.291 -2.806 -6.107 689 3HD1 ILE 12 HMD ILE 12 5.836 -3.684 -5.942 690 H LYS 13 HN LYS 13 7.012 -1.775 -11.168 691 HA LYS 13 HA LYS 13 9.509 -2.573 -12.124 692 1HB LYS 13 HBR LYS 13 7.321 -0.804 -13.120 693 2HB LYS 13 HBS LYS 13 8.907 -0.703 -13.936 694 1HG LYS 13 HGR LYS 13 8.603 -2.665 -15.000 695 2HG LYS 13 HGS LYS 13 8.015 -3.471 -13.518 696 1HD LYS 13 HDS LYS 13 5.875 -3.208 -14.038 697 2HD LYS 13 HDR LYS 13 6.106 -1.565 -14.571 698 1HE LYS 13 HES LYS 13 6.548 -2.139 -16.747 699 2HE LYS 13 HER LYS 13 7.097 -3.778 -16.297 700 1HZ LYS 13 HZB LYS 13 4.336 -3.089 -15.777 701 2HZ LYS 13 HZC LYS 13 4.760 -3.345 -17.333 702 3HZ LYS 13 HZA LYS 13 4.989 -4.519 -16.220 703 H ASP 14 HN ASP 14 8.399 0.675 -11.132 704 HA ASP 14 HA ASP 14 10.654 2.072 -11.680 705 1HB ASP 14 HBS ASP 14 8.474 2.983 -10.924 706 2HB ASP 14 HBR ASP 14 8.943 2.566 -9.249 707 H ALA 15 HN ALA 15 10.036 0.136 -8.795 708 HA ALA 15 HA ALA 15 12.470 0.359 -7.482 709 1HB ALA 15 HMB ALA 15 10.254 -1.345 -7.425 710 2HB ALA 15 HMB ALA 15 11.656 -2.412 -7.695 711 3HB ALA 15 HMB ALA 15 11.628 -1.315 -6.291 712 H GLY 16 HN GLY 16 11.677 -1.662 -10.310 713 1HA GLY 16 HAR GLY 16 13.767 -2.183 -11.730 714 2HA GLY 16 HAS GLY 16 14.423 -2.838 -10.208 715 H ALA 17 HN ALA 17 11.139 -3.366 -10.121 716 HA ALA 17 HA ALA 17 11.105 -6.123 -10.831 717 1HB ALA 17 HMB ALA 17 9.406 -4.360 -9.616 718 2HB ALA 17 HMB ALA 17 8.600 -4.651 -11.179 719 3HB ALA 17 HMB ALA 17 9.009 -6.024 -10.117 720 H GLU 18 HN GLU 18 8.955 -6.429 -12.458 721 HA GLU 18 HA GLU 18 8.535 -6.960 -14.652 722 1HB GLU 18 HBR GLU 18 9.154 -4.444 -15.098 723 2HB GLU 18 HBS GLU 18 10.685 -5.040 -15.431 724 1HG GLU 18 HGS GLU 18 8.732 -6.611 -16.861 725 2HG GLU 18 HGR GLU 18 8.620 -4.896 -17.343 726 H ARG 19 HN ARG 19 10.639 -7.689 -12.602 727 HA ARG 19 HA ARG 19 11.682 -9.769 -14.451 728 1HB ARG 19 HBR ARG 19 13.503 -8.641 -13.102 729 2HB ARG 19 HBS ARG 19 12.705 -9.283 -11.638 730 1HG ARG 19 HGS ARG 19 13.384 -11.426 -12.036 731 2HG ARG 19 HGR ARG 19 13.389 -11.218 -13.810 732 1HD ARG 19 HDS ARG 19 15.321 -9.451 -12.810 733 2HD ARG 19 HDR ARG 19 15.538 -10.983 -11.917 734 HE ARG 19 HE ARG 19 16.132 -12.050 -13.915 735 1HH1 ARG 19 HH1 ARG 19 15.416 -8.636 -14.427 736 2HH1 ARG 19 HH1 ARG 19 15.933 -8.664 -16.079 737 1HH2 ARG 19 HH2 ARG 19 16.680 -12.077 -16.114 738 2HH2 ARG 19 HH2 ARG 19 16.651 -10.610 -17.034 739 H VAL 20 HN VAL 20 9.045 -9.063 -13.160 740 HA VAL 20 HA VAL 20 8.831 -11.169 -11.094 741 HB VAL 20 HB VAL 20 7.250 -8.620 -11.497 742 1HG1 VAL 20 HMG VAL 20 7.033 -10.828 -9.486 743 2HG1 VAL 20 HMG VAL 20 6.699 -9.153 -8.984 744 3HG1 VAL 20 HMG VAL 20 5.760 -9.891 -10.304 745 1HG2 VAL 20 HMG VAL 20 9.748 -9.225 -10.030 746 2HG2 VAL 20 HMG VAL 20 9.163 -7.705 -10.748 747 3HG2 VAL 20 HMG VAL 20 8.544 -8.238 -9.167 748 H SER 21 HN SER 21 6.620 -12.062 -10.764 749 HA SER 21 HA SER 21 5.290 -12.577 -13.355 750 1HB SER 21 HBS SER 21 4.491 -14.568 -12.468 751 2HB SER 21 HBR SER 21 6.158 -14.440 -11.838 752 HG SER 21 HG SER 21 3.698 -14.631 -10.608 753 H ASP 22 HN ASP 22 2.922 -12.885 -13.295 754 HA ASP 22 HA ASP 22 1.752 -10.493 -12.299 755 1HB ASP 22 HBS ASP 22 -0.164 -11.038 -13.528 756 2HB ASP 22 HBR ASP 22 1.251 -11.565 -14.483 757 H ASP 23 HN ASP 23 1.633 -13.849 -11.270 758 HA ASP 23 HA ASP 23 -0.375 -13.562 -9.290 759 1HB ASP 23 HBS ASP 23 0.931 -15.661 -10.270 760 2HB ASP 23 HBR ASP 23 1.859 -15.429 -8.760 761 H ALA 24 HN ALA 24 3.004 -12.676 -9.391 762 HA ALA 24 HA ALA 24 3.324 -11.914 -6.648 763 1HB ALA 24 HMB ALA 24 4.898 -11.942 -8.905 764 2HB ALA 24 HMB ALA 24 4.627 -10.202 -8.633 765 3HB ALA 24 HMB ALA 24 5.320 -11.209 -7.336 766 H ARG 25 HN ARG 25 2.814 -9.787 -9.487 767 HA ARG 25 HA ARG 25 2.439 -7.513 -7.940 768 1HB ARG 25 HBR ARG 25 1.264 -6.602 -10.060 769 2HB ARG 25 HBS ARG 25 2.987 -7.072 -10.135 770 1HG ARG 25 HGS ARG 25 2.330 -9.226 -11.159 771 2HG ARG 25 HGR ARG 25 0.624 -8.694 -11.138 772 1HD ARG 25 HDS ARG 25 0.981 -7.058 -12.724 773 2HD ARG 25 HDR ARG 25 2.742 -7.015 -12.429 774 HE ARG 25 HE ARG 25 1.452 -9.383 -13.684 775 1HH1 ARG 25 HH1 ARG 25 3.595 -6.597 -13.958 776 2HH1 ARG 25 HH1 ARG 25 4.469 -7.263 -15.297 777 1HH2 ARG 25 HH2 ARG 25 2.695 -10.274 -15.359 778 2HH2 ARG 25 HH2 ARG 25 3.956 -9.341 -16.093 779 H ILE 26 HN ILE 26 0.222 -10.048 -8.585 780 HA ILE 26 HA ILE 26 -2.142 -8.530 -7.890 781 HB ILE 26 HB ILE 26 -1.620 -11.531 -8.149 782 1HG1 ILE 26 HG1 ILE 26 -3.187 -9.821 -10.085 783 2HG1 ILE 26 HG1 ILE 26 -1.401 -9.849 -10.137 784 1HG2 ILE 26 HMG ILE 26 -4.254 -10.070 -7.861 785 2HG2 ILE 26 HMG ILE 26 -4.068 -11.788 -8.308 786 3HG2 ILE 26 HMG ILE 26 -3.527 -11.218 -6.706 787 1HD1 ILE 26 HMD ILE 26 -2.222 -12.545 -10.036 788 2HD1 ILE 26 HMD ILE 26 -3.299 -11.737 -11.207 789 3HD1 ILE 26 HMD ILE 26 -1.529 -11.657 -11.420 790 H THR 27 HN THR 27 0.053 -10.773 -6.219 791 HA THR 27 HA THR 27 -1.215 -10.866 -3.745 792 HB THR 27 HB THR 27 1.781 -10.912 -4.408 793 HG1 THR 27 HG1 THR 27 1.081 -12.369 -5.233 794 1HG2 THR 27 HMG THR 27 0.909 -10.479 -1.887 795 2HG2 THR 27 HMG THR 27 0.837 -12.259 -1.947 796 3HG2 THR 27 HMG THR 27 2.370 -11.416 -2.292 797 H LEU 28 HN LEU 28 1.276 -8.536 -4.838 798 HA LEU 28 HA LEU 28 1.252 -6.885 -2.572 799 1HB LEU 28 HBR LEU 28 2.545 -7.074 -4.986 800 2HB LEU 28 HBS LEU 28 1.606 -5.573 -5.190 801 HG LEU 28 HG LEU 28 2.799 -4.428 -3.582 802 1HD1 LEU 28 HMD LEU 28 2.656 -6.097 -1.771 803 2HD1 LEU 28 HMD LEU 28 3.937 -7.052 -2.562 804 3HD1 LEU 28 HMD LEU 28 4.295 -5.419 -1.945 805 1HD2 LEU 28 HMD LEU 28 4.053 -5.507 -5.681 806 2HD2 LEU 28 HMD LEU 28 4.871 -4.446 -4.505 807 3HD2 LEU 28 HMD LEU 28 5.045 -6.214 -4.380 808 H ALA 29 HN ALA 29 -0.687 -6.695 -5.563 809 HA ALA 29 HA ALA 29 -2.169 -4.443 -4.963 810 1HB ALA 29 HMB ALA 29 -2.258 -6.562 -6.849 811 2HB ALA 29 HMB ALA 29 -3.906 -6.340 -6.208 812 3HB ALA 29 HMB ALA 29 -3.036 -4.960 -6.926 813 H LYS 30 HN LYS 30 -2.900 -7.821 -4.065 814 HA LYS 30 HA LYS 30 -5.232 -7.183 -2.551 815 1HB LYS 30 HBR LYS 30 -4.200 -9.485 -3.472 816 2HB LYS 30 HBS LYS 30 -3.602 -9.558 -1.790 817 1HG LYS 30 HGR LYS 30 -6.075 -9.031 -1.146 818 2HG LYS 30 HGS LYS 30 -6.445 -9.561 -2.811 819 1HD LYS 30 HDS LYS 30 -5.984 -11.718 -2.407 820 2HD LYS 30 HDR LYS 30 -4.674 -11.349 -1.319 821 1HE LYS 30 HES LYS 30 -6.443 -10.625 0.369 822 2HE LYS 30 HER LYS 30 -7.606 -11.435 -0.719 823 1HZ LYS 30 HZB LYS 30 -6.280 -13.434 -0.486 824 2HZ LYS 30 HZC LYS 30 -5.275 -12.687 0.561 825 3HZ LYS 30 HZA LYS 30 -6.840 -12.926 0.962 826 H ILE 31 HN ILE 31 -1.802 -7.236 -1.837 827 HA ILE 31 HA ILE 31 -1.955 -7.062 1.042 828 HB ILE 31 HB ILE 31 0.119 -6.311 -1.062 829 1HG1 ILE 31 HG1 ILE 31 0.322 -8.447 1.072 830 2HG1 ILE 31 HG1 ILE 31 -0.543 -8.728 -0.467 831 1HG2 ILE 31 HMG ILE 31 0.142 -5.698 1.845 832 2HG2 ILE 31 HMG ILE 31 1.644 -6.335 1.124 833 3HG2 ILE 31 HMG ILE 31 0.902 -4.850 0.472 834 1HD1 ILE 31 HMD ILE 31 2.254 -7.663 -0.563 835 2HD1 ILE 31 HMD ILE 31 2.000 -9.385 -0.173 836 3HD1 ILE 31 HMD ILE 31 1.387 -8.720 -1.710 837 H LEU 32 HN LEU 32 -0.931 -4.532 -1.245 838 HA LEU 32 HA LEU 32 -0.997 -2.546 0.601 839 1HB LEU 32 HBR LEU 32 -0.609 -2.884 -2.215 840 2HB LEU 32 HBS LEU 32 -1.510 -1.367 -1.936 841 HG LEU 32 HG LEU 32 0.332 -0.761 -0.284 842 1HD1 LEU 32 HMD LEU 32 1.200 -3.198 -0.318 843 2HD1 LEU 32 HMD LEU 32 1.961 -2.747 -1.866 844 3HD1 LEU 32 HMD LEU 32 2.390 -1.872 -0.374 845 1HD2 LEU 32 HMD LEU 32 0.252 -0.795 -3.214 846 2HD2 LEU 32 HMD LEU 32 0.601 0.542 -2.087 847 3HD2 LEU 32 HMD LEU 32 1.895 -0.591 -2.554 848 H GLU 33 HN GLU 33 -3.666 -3.582 -1.458 849 HA GLU 33 HA GLU 33 -5.320 -1.315 -0.767 850 1HB GLU 33 HBR GLU 33 -5.336 -2.539 -2.912 851 2HB GLU 33 HBS GLU 33 -5.761 -3.948 -2.108 852 1HG GLU 33 HGS GLU 33 -7.693 -1.995 -1.370 853 2HG GLU 33 HGR GLU 33 -7.630 -2.041 -3.153 854 H GLU 34 HN GLU 34 -4.999 -4.662 0.330 855 HA GLU 34 HA GLU 34 -7.090 -4.639 2.318 856 1HB GLU 34 HBR GLU 34 -4.469 -6.046 1.879 857 2HB GLU 34 HBS GLU 34 -5.206 -6.107 3.386 858 1HG GLU 34 HGS GLU 34 -6.362 -7.140 0.824 859 2HG GLU 34 HGR GLU 34 -6.003 -8.110 2.279 860 H MET 35 HN MET 35 -3.667 -3.630 2.222 861 HA MET 35 HA MET 35 -3.473 -2.632 4.810 862 1HB MET 35 HBS MET 35 -1.845 -2.717 2.563 863 2HB MET 35 HBR MET 35 -2.033 -0.972 2.895 864 1HG MET 35 HGS MET 35 -1.305 -1.301 5.214 865 2HG MET 35 HGR MET 35 -1.242 -3.063 4.961 866 1HE MET 35 HME MET 35 0.302 -4.229 4.307 867 2HE MET 35 HME MET 35 1.301 -3.978 2.853 868 3HE MET 35 HME MET 35 1.993 -3.692 4.469 869 H GLY 36 HN GLY 36 -4.660 -1.012 1.872 870 1HA GLY 36 HAR GLY 36 -4.626 1.590 2.964 871 2HA GLY 36 HAS GLY 36 -5.504 1.087 1.493 872 H ARG 37 HN ARG 37 -7.162 -0.880 2.802 873 HA ARG 37 HA ARG 37 -9.258 0.621 4.083 874 1HB ARG 37 HBR ARG 37 -8.773 -2.106 3.273 875 2HB ARG 37 HBS ARG 37 -9.353 -2.064 4.963 876 1HG ARG 37 HGS ARG 37 -11.441 -1.568 4.339 877 2HG ARG 37 HGR ARG 37 -10.892 -0.306 3.201 878 1HD ARG 37 HDS ARG 37 -11.866 -1.810 1.786 879 2HD ARG 37 HDR ARG 37 -10.159 -2.334 1.749 880 HE ARG 37 HE ARG 37 -11.900 -3.670 3.700 881 1HH1 ARG 37 HH1 ARG 37 -10.666 -3.723 0.398 882 2HH1 ARG 37 HH1 ARG 37 -10.719 -5.451 0.291 883 1HH2 ARG 37 HH2 ARG 37 -11.834 -5.932 3.567 884 2HH2 ARG 37 HH2 ARG 37 -11.381 -6.701 2.083 885 H ASP 38 HN ASP 38 -6.470 -1.280 5.192 886 HA ASP 38 HA ASP 38 -7.036 -1.149 7.891 887 1HB ASP 38 HBS ASP 38 -5.037 -2.227 6.324 888 2HB ASP 38 HBR ASP 38 -4.175 -1.115 7.425 889 H ILE 39 HN ILE 39 -5.163 1.169 5.952 890 HA ILE 39 HA ILE 39 -4.356 2.780 8.242 891 HB ILE 39 HB ILE 39 -4.557 3.826 5.396 892 1HG1 ILE 39 HG1 ILE 39 -2.017 2.462 6.182 893 2HG1 ILE 39 HG1 ILE 39 -3.396 1.421 5.735 894 1HG2 ILE 39 HMG ILE 39 -2.869 4.420 7.805 895 2HG2 ILE 39 HMG ILE 39 -2.315 4.857 6.168 896 3HG2 ILE 39 HMG ILE 39 -3.850 5.516 6.795 897 1HD1 ILE 39 HMD ILE 39 -3.408 3.264 3.716 898 2HD1 ILE 39 HMD ILE 39 -1.667 3.138 4.088 899 3HD1 ILE 39 HMD ILE 39 -2.593 1.677 3.650 900 H ALA 40 HN ALA 40 -7.123 2.471 6.147 901 HA ALA 40 HA ALA 40 -8.085 5.178 6.319 902 1HB ALA 40 HMB ALA 40 -8.985 2.602 5.221 903 2HB ALA 40 HMB ALA 40 -10.297 3.649 5.818 904 3HB ALA 40 HMB ALA 40 -9.160 4.257 4.588 905 H SER 41 HN SER 41 -9.605 2.211 7.624 906 HA SER 41 HA SER 41 -11.127 3.505 9.545 907 1HB SER 41 HBS SER 41 -10.250 0.845 10.406 908 2HB SER 41 HBR SER 41 -11.886 1.474 10.054 909 HG SER 41 HG SER 41 -11.695 0.020 8.547 910 H GLU 42 HN GLU 42 -7.756 2.600 9.668 911 HA GLU 42 HA GLU 42 -7.289 3.216 12.411 912 1HB GLU 42 HBR GLU 42 -5.737 3.080 9.867 913 2HB GLU 42 HBS GLU 42 -5.078 3.990 11.114 914 1HG GLU 42 HGS GLU 42 -4.193 1.735 11.206 915 2HG GLU 42 HGR GLU 42 -5.047 2.128 12.723 916 H ALA 43 HN ALA 43 -6.557 5.238 9.533 917 HA ALA 43 HA ALA 43 -6.236 7.641 10.945 918 1HB ALA 43 HMB ALA 43 -6.700 6.866 8.104 919 2HB ALA 43 HMB ALA 43 -6.906 8.577 8.558 920 3HB ALA 43 HMB ALA 43 -5.353 7.756 8.860 921 H ILE 44 HN ILE 44 -9.091 5.900 10.265 922 HA ILE 44 HA ILE 44 -10.799 8.230 10.537 923 HB ILE 44 HB ILE 44 -11.287 5.248 10.104 924 1HG1 ILE 44 HG1 ILE 44 -11.765 7.574 8.214 925 2HG1 ILE 44 HG1 ILE 44 -10.207 6.707 8.328 926 1HG2 ILE 44 HMG ILE 44 -13.280 7.443 10.526 927 2HG2 ILE 44 HMG ILE 44 -13.639 6.118 9.386 928 3HG2 ILE 44 HMG ILE 44 -13.293 5.753 11.098 929 1HD1 ILE 44 HMD ILE 44 -11.429 4.594 7.766 930 2HD1 ILE 44 HMD ILE 44 -12.889 5.579 7.480 931 3HD1 ILE 44 HMD ILE 44 -11.438 5.820 6.469 932 H LYS 45 HN LYS 45 -10.487 5.124 12.302 933 HA LYS 45 HA LYS 45 -11.932 5.923 14.635 934 1HB LYS 45 HBR LYS 45 -10.893 3.578 13.792 935 2HB LYS 45 HBS LYS 45 -9.623 4.078 14.945 936 1HG LYS 45 HGR LYS 45 -12.519 4.162 15.777 937 2HG LYS 45 HGS LYS 45 -11.644 2.606 15.757 938 1HD LYS 45 HDS LYS 45 -10.988 5.069 17.365 939 2HD LYS 45 HDR LYS 45 -11.584 3.537 17.942 940 1HE LYS 45 HES LYS 45 -9.504 2.897 18.290 941 2HE LYS 45 HER LYS 45 -9.288 2.882 16.517 942 1HZ LYS 45 HZC LYS 45 -8.728 5.260 16.728 943 2HZ LYS 45 HZA LYS 45 -8.727 5.103 18.353 944 3HZ LYS 45 HZB LYS 45 -7.654 4.266 17.452 945 H LEU 46 HN LEU 46 -8.857 6.783 13.363 946 HA LEU 46 HA LEU 46 -7.797 7.822 15.883 947 1HB LEU 46 HBR LEU 46 -7.009 7.916 12.972 948 2HB LEU 46 HBS LEU 46 -6.184 8.910 14.206 949 HG LEU 46 HG LEU 46 -6.402 5.953 14.623 950 1HD1 LEU 46 HMD LEU 46 -5.181 7.162 12.321 951 2HD1 LEU 46 HMD LEU 46 -3.908 6.533 13.396 952 3HD1 LEU 46 HMD LEU 46 -5.199 5.451 12.817 953 1HD2 LEU 46 HMD LEU 46 -4.500 8.204 15.310 954 2HD2 LEU 46 HMD LEU 46 -5.502 7.223 16.410 955 3HD2 LEU 46 HMD LEU 46 -4.103 6.489 15.583 956 H ALA 47 HN ALA 47 -9.190 9.152 12.866 957 HA ALA 47 HA ALA 47 -8.952 11.841 13.557 958 1HB ALA 47 HMB ALA 47 -10.123 10.284 11.470 959 2HB ALA 47 HMB ALA 47 -11.290 11.534 11.971 960 3HB ALA 47 HMB ALA 47 -9.647 12.002 11.464 961 H ARG 48 HN ARG 48 -11.199 9.469 14.684 962 HA ARG 48 HA ARG 48 -12.901 11.470 16.009 963 1HB ARG 48 HBR ARG 48 -13.929 9.401 15.231 964 2HB ARG 48 HBS ARG 48 -12.811 8.444 16.244 965 1HG ARG 48 HGS ARG 48 -14.333 10.475 17.735 966 2HG ARG 48 HGR ARG 48 -15.350 9.232 16.955 967 1HD ARG 48 HDS ARG 48 -14.751 7.704 18.427 968 2HD ARG 48 HDR ARG 48 -13.018 8.062 18.189 969 HE ARG 48 HE ARG 48 -14.479 9.971 19.856 970 1HH1 ARG 48 HH1 ARG 48 -12.229 7.263 19.664 971 2HH1 ARG 48 HH1 ARG 48 -11.809 7.353 21.342 972 1HH2 ARG 48 HH2 ARG 48 -14.002 9.974 22.072 973 2HH2 ARG 48 HH2 ARG 48 -12.810 8.888 22.704 974 H HIS 49 HN HIS 49 -10.533 8.933 16.885 975 HA HIS 49 HA HIS 49 -10.619 9.313 19.624 976 1HB HIS 49 HBS HIS 49 -9.447 7.401 18.519 977 2HB HIS 49 HBR HIS 49 -8.115 8.510 18.079 978 HD1 HIS 49 HD1 HIS 49 -9.416 9.336 21.416 979 HD2 HIS 49 HD2 HIS 49 -6.619 6.700 19.807 980 HE1 HIS 49 HE1 HIS 49 -7.864 8.723 23.286 981 HE2 HIS 49 HE2 HIS 49 -6.155 7.146 22.313 982 H ALA 50 HN ALA 50 -8.655 11.007 17.211 983 HA ALA 50 HA ALA 50 -7.212 12.713 19.013 984 1HB ALA 50 HMB ALA 50 -7.367 12.303 16.256 985 2HB ALA 50 HMB ALA 50 -7.959 13.965 16.508 986 3HB ALA 50 HMB ALA 50 -6.355 13.488 17.121 987 H GLY 51 HN GLY 51 -10.346 12.966 17.323 988 1HA GLY 51 HAR GLY 51 -12.224 14.277 18.132 989 2HA GLY 51 HAS GLY 51 -11.073 15.299 19.034 990 H ARG 52 HN ARG 52 -10.610 14.103 15.733 991 HA ARG 52 HA ARG 52 -10.162 16.912 14.918 992 1HB ARG 52 HBR ARG 52 -8.886 14.340 14.360 993 2HB ARG 52 HBS ARG 52 -9.244 15.273 12.879 994 1HG ARG 52 HGS ARG 52 -8.120 17.247 14.157 995 2HG ARG 52 HGR ARG 52 -7.429 15.959 15.183 996 1HD ARG 52 HDS ARG 52 -7.083 15.072 12.567 997 2HD ARG 52 HDR ARG 52 -6.704 16.817 12.523 998 HE ARG 52 HE ARG 52 -5.440 15.044 14.545 999 1HH1 ARG 52 HH1 ARG 52 -5.135 17.022 11.642 1000 2HH1 ARG 52 HH1 ARG 52 -3.438 17.281 11.865 1001 1HH2 ARG 52 HH2 ARG 52 -3.247 15.512 14.873 1002 2HH2 ARG 52 HH2 ARG 52 -2.367 16.426 13.692 1003 H LYS 53 HN LYS 53 -11.217 17.871 13.311 1004 HA LYS 53 HA LYS 53 -13.400 16.396 11.939 1005 1HB LYS 53 HBR LYS 53 -14.018 18.633 11.054 1006 2HB LYS 53 HBS LYS 53 -14.117 18.497 12.833 1007 1HG LYS 53 HGR LYS 53 -11.841 19.605 12.939 1008 2HG LYS 53 HGS LYS 53 -11.996 19.922 11.187 1009 1HD LYS 53 HDS LYS 53 -13.505 21.549 11.444 1010 2HD LYS 53 HDR LYS 53 -14.317 20.736 12.753 1011 1HE LYS 53 HES LYS 53 -11.795 22.370 12.946 1012 2HE LYS 53 HER LYS 53 -13.415 22.756 13.591 1013 1HZ LYS 53 HZA LYS 53 -13.192 20.786 14.989 1014 2HZ LYS 53 HZB LYS 53 -11.662 20.563 14.461 1015 3HZ LYS 53 HZC LYS 53 -12.046 21.903 15.312 1016 H THR 54 HN THR 54 -13.270 15.856 9.871 1017 HA THR 54 HA THR 54 -12.344 15.378 7.832 1018 HB THR 54 HB THR 54 -10.295 17.607 8.030 1019 HG1 THR 54 HG1 THR 54 -11.518 18.949 8.030 1020 1HG2 THR 54 HMG THR 54 -10.628 16.055 6.003 1021 2HG2 THR 54 HMG THR 54 -12.111 16.998 5.707 1022 3HG2 THR 54 HMG THR 54 -10.525 17.810 5.717 1023 H ILE 55 HN ILE 55 -10.767 14.015 7.173 1024 HA ILE 55 HA ILE 55 -8.517 13.472 9.029 1025 HB ILE 55 HB ILE 55 -9.580 11.955 6.596 1026 1HG1 ILE 55 HG1 ILE 55 -9.548 11.189 9.541 1027 2HG1 ILE 55 HG1 ILE 55 -10.943 11.907 8.687 1028 1HG2 ILE 55 HMG ILE 55 -6.965 11.877 7.726 1029 2HG2 ILE 55 HMG ILE 55 -7.796 10.347 8.110 1030 3HG2 ILE 55 HMG ILE 55 -7.657 10.885 6.415 1031 1HD1 ILE 55 HMD ILE 55 -9.984 9.596 7.251 1032 2HD1 ILE 55 HMD ILE 55 -10.296 9.181 8.957 1033 3HD1 ILE 55 HMD ILE 55 -11.589 9.907 7.965 1034 H LYS 56 HN LYS 56 -6.452 13.869 8.494 1035 HA LYS 56 HA LYS 56 -6.006 15.437 5.998 1036 1HB LYS 56 HBR LYS 56 -4.955 16.014 8.784 1037 2HB LYS 56 HBS LYS 56 -4.284 16.724 7.288 1038 1HG LYS 56 HGR LYS 56 -6.897 17.352 6.960 1039 2HG LYS 56 HGS LYS 56 -6.809 17.340 8.744 1040 1HD LYS 56 HDS LYS 56 -5.264 19.049 8.835 1041 2HD LYS 56 HDR LYS 56 -4.721 18.787 7.200 1042 1HE LYS 56 HES LYS 56 -6.473 19.925 6.241 1043 2HE LYS 56 HER LYS 56 -7.526 19.676 7.662 1044 1HZ LYS 56 HZC LYS 56 -5.111 21.255 7.976 1045 2HZ LYS 56 HZA LYS 56 -6.391 21.942 7.228 1046 3HZ LYS 56 HZB LYS 56 -6.543 21.377 8.752 1047 H ALA 57 HN ALA 57 -3.633 15.570 5.506 1048 HA ALA 57 HA ALA 57 -2.363 13.035 5.380 1049 1HB ALA 57 HMB ALA 57 -1.964 15.080 3.936 1050 2HB ALA 57 HMB ALA 57 -0.965 15.711 5.270 1051 3HB ALA 57 HMB ALA 57 -0.521 14.181 4.470 1052 H GLU 58 HN GLU 58 -2.666 15.317 7.925 1053 HA GLU 58 HA GLU 58 -0.439 14.416 9.545 1054 1HB GLU 58 HBR GLU 58 -2.431 16.367 9.596 1055 2HB GLU 58 HBS GLU 58 -2.928 15.283 10.777 1056 1HG GLU 58 HGS GLU 58 -0.364 16.818 10.747 1057 2HG GLU 58 HGR GLU 58 -1.595 16.838 12.040 1058 H ASP 59 HN ASP 59 -3.973 13.762 9.623 1059 HA ASP 59 HA ASP 59 -3.749 11.642 11.444 1060 1HB ASP 59 HBS ASP 59 -5.830 13.020 10.116 1061 2HB ASP 59 HBR ASP 59 -6.098 11.267 9.886 1062 H ILE 60 HN ILE 60 -3.436 11.713 7.972 1063 HA ILE 60 HA ILE 60 -3.815 8.886 7.489 1064 HB ILE 60 HB ILE 60 -2.454 11.119 5.909 1065 1HG1 ILE 60 HG1 ILE 60 -4.798 11.489 6.140 1066 2HG1 ILE 60 HG1 ILE 60 -4.495 10.916 4.475 1067 1HG2 ILE 60 HMG ILE 60 -2.667 8.208 5.322 1068 2HG2 ILE 60 HMG ILE 60 -2.918 9.359 3.983 1069 3HG2 ILE 60 HMG ILE 60 -1.392 9.383 4.907 1070 1HD1 ILE 60 HMD ILE 60 -5.099 8.571 5.489 1071 2HD1 ILE 60 HMD ILE 60 -5.899 9.550 6.748 1072 3HD1 ILE 60 HMD ILE 60 -6.384 9.725 5.040 1073 H GLU 61 HN GLU 61 -0.853 10.902 7.342 1074 HA GLU 61 HA GLU 61 0.977 8.807 7.582 1075 1HB GLU 61 HBR GLU 61 1.028 11.732 8.306 1076 2HB GLU 61 HBS GLU 61 2.329 10.734 8.659 1077 1HG GLU 61 HGS GLU 61 2.756 10.095 6.424 1078 2HG GLU 61 HGR GLU 61 1.297 10.910 5.798 1079 H LEU 62 HN LEU 62 -0.811 10.573 10.057 1080 HA LEU 62 HA LEU 62 0.357 9.487 12.367 1081 1HB LEU 62 HBR LEU 62 -2.273 10.618 11.547 1082 2HB LEU 62 HBS LEU 62 -2.220 9.694 13.076 1083 HG LEU 62 HG LEU 62 -0.565 12.143 12.407 1084 1HD1 LEU 62 HMD LEU 62 -3.170 11.687 13.753 1085 2HD1 LEU 62 HMD LEU 62 -2.030 12.766 14.595 1086 3HD1 LEU 62 HMD LEU 62 -2.537 13.132 12.927 1087 1HD2 LEU 62 HMD LEU 62 -0.752 10.316 14.815 1088 2HD2 LEU 62 HMD LEU 62 0.683 10.701 13.833 1089 3HD2 LEU 62 HMD LEU 62 -0.041 11.949 14.878 1090 H ALA 63 HN ALA 63 -2.437 8.244 10.493 1091 HA ALA 63 HA ALA 63 -2.883 6.007 12.007 1092 1HB ALA 63 HMB ALA 63 -3.443 6.757 9.175 1093 2HB ALA 63 HMB ALA 63 -3.718 5.065 9.665 1094 3HB ALA 63 HMB ALA 63 -4.558 6.388 10.515 1095 H VAL 64 HN VAL 64 -0.576 6.372 9.347 1096 HA VAL 64 HA VAL 64 -0.263 3.561 9.172 1097 HB VAL 64 HB VAL 64 0.034 5.829 7.585 1098 1HG1 VAL 64 HMG VAL 64 2.724 4.484 7.830 1099 2HG1 VAL 64 HMG VAL 64 2.181 5.221 6.305 1100 3HG1 VAL 64 HMG VAL 64 2.309 6.214 7.776 1101 1HG2 VAL 64 HMG VAL 64 -1.000 3.680 7.026 1102 2HG2 VAL 64 HMG VAL 64 0.076 4.307 5.753 1103 3HG2 VAL 64 HMG VAL 64 0.614 2.965 6.792 1104 H ARG 65 HN ARG 65 1.960 6.145 10.249 1105 HA ARG 65 HA ARG 65 3.946 4.344 11.313 1106 1HB ARG 65 HBR ARG 65 3.244 7.239 11.834 1107 2HB ARG 65 HBS ARG 65 4.491 6.370 12.774 1108 1HG ARG 65 HGS ARG 65 5.981 6.360 11.057 1109 2HG ARG 65 HGR ARG 65 4.710 6.243 9.806 1110 1HD ARG 65 HDS ARG 65 4.190 8.687 10.810 1111 2HD ARG 65 HDR ARG 65 5.955 8.599 11.068 1112 HE ARG 65 HE ARG 65 5.055 7.830 8.399 1113 1HH1 ARG 65 HH1 ARG 65 5.890 10.577 10.446 1114 2HH1 ARG 65 HH1 ARG 65 6.538 11.500 9.131 1115 1HH2 ARG 65 HH2 ARG 65 6.026 9.014 6.727 1116 2HH2 ARG 65 HH2 ARG 65 6.615 10.616 7.026 1117 H ARG 66 HN ARG 66 0.826 5.511 12.341 1118 HA ARG 66 HA ARG 66 0.953 4.868 15.109 1119 1HB ARG 66 HBR ARG 66 -1.193 5.260 13.085 1120 2HB ARG 66 HBS ARG 66 -1.611 4.291 14.525 1121 1HG ARG 66 HGS ARG 66 -0.525 7.127 14.512 1122 2HG ARG 66 HGR ARG 66 -2.209 6.634 14.848 1123 1HD ARG 66 HDS ARG 66 0.272 6.156 16.473 1124 2HD ARG 66 HDR ARG 66 -1.242 6.983 16.939 1125 HE ARG 66 HE ARG 66 -2.285 4.654 16.689 1126 1HH1 ARG 66 HH1 ARG 66 0.958 5.309 17.906 1127 2HH1 ARG 66 HH1 ARG 66 1.096 3.768 18.683 1128 1HH2 ARG 66 HH2 ARG 66 -2.020 2.602 17.615 1129 2HH2 ARG 66 HH2 ARG 66 -0.591 2.236 18.523 1130 H PHE 67 HN PHE 67 0.220 2.946 12.207 1131 HA PHE 67 HA PHE 67 -0.164 0.604 13.929 1132 1HB PHE 67 HBR PHE 67 -1.238 -0.454 12.004 1133 2HB PHE 67 HBS PHE 67 -1.927 1.176 12.258 1134 HD1 PHE 67 HD2 PHE 67 0.861 -0.443 10.254 1135 HD2 PHE 67 HD1 PHE 67 -2.484 2.191 10.414 1136 HE1 PHE 67 HE2 PHE 67 1.047 -0.066 7.816 1137 HE2 PHE 67 HE1 PHE 67 -2.402 2.476 7.979 1138 HZ PHE 67 HZ PHE 67 -0.651 1.332 6.673 1139 H LYS 68 HN LYS 68 2.183 1.912 11.803 1140 HA LYS 68 HA LYS 68 4.008 -0.301 12.174 1141 1HB LYS 68 HBR LYS 68 2.487 -1.245 10.445 1142 2HB LYS 68 HBS LYS 68 2.893 0.135 9.385 1143 1HG LYS 68 HGR LYS 68 4.431 -1.325 8.566 1144 2HG LYS 68 HGS LYS 68 5.387 -0.744 9.958 1145 1HD LYS 68 HDS LYS 68 3.724 -2.866 10.860 1146 2HD LYS 68 HDR LYS 68 4.449 -3.369 9.358 1147 1HE LYS 68 HES LYS 68 5.990 -2.291 11.716 1148 2HE LYS 68 HER LYS 68 5.781 -4.014 11.292 1149 1HZ LYS 68 HZB LYS 68 6.824 -3.467 9.156 1150 2HZ LYS 68 HZC LYS 68 7.145 -1.960 9.696 1151 3HZ LYS 68 HZA LYS 68 7.825 -3.250 10.429 1152 H LYS 69 HN LYS 69 5.708 0.908 12.597 1153 HA LYS 69 HA LYS 69 7.574 2.171 12.186 1154 1HB LYS 69 HBR LYS 69 7.309 0.678 10.071 1155 2HB LYS 69 HBS LYS 69 6.820 2.198 9.270 1156 1HG LYS 69 HGR LYS 69 8.945 2.878 9.092 1157 2HG LYS 69 HGS LYS 69 9.258 2.562 10.822 1158 1HD LYS 69 HDS LYS 69 9.260 0.043 9.929 1159 2HD LYS 69 HDR LYS 69 9.713 0.842 8.449 1160 1HE LYS 69 HES LYS 69 11.162 1.516 10.979 1161 2HE LYS 69 HER LYS 69 11.545 0.029 10.065 1162 1HZ LYS 69 HZB LYS 69 11.371 2.244 8.353 1163 2HZ LYS 69 HZC LYS 69 12.440 2.556 9.547 1164 3HZ LYS 69 HZA LYS 69 12.630 1.235 8.605 No H/Q in entry = 1164 Start of MODEL 24 Raw file had 1198 H/Q atoms Start of MODEL 24 1 1H MET 1 HNC MET 1 5.122 9.486 -9.923 2 2H MET 1 HNB MET 1 4.875 11.094 -9.785 3 3H MET 1 HN MET 1 6.128 10.392 -9.009 4 HA MET 1 HA MET 1 4.929 9.538 -7.370 5 1HB MET 1 HBS MET 1 3.581 12.036 -8.375 6 2HB MET 1 HBR MET 1 2.958 11.180 -6.935 7 1HG MET 1 HGS MET 1 5.055 11.459 -5.771 8 2HG MET 1 HGR MET 1 5.861 12.021 -7.255 9 1HE MET 1 HME MET 1 6.709 14.147 -6.470 10 2HE MET 1 HME MET 1 5.821 15.494 -5.715 11 3HE MET 1 HME MET 1 6.146 14.010 -4.785 12 H GLU 2 HN GLU 2 3.194 8.320 -6.658 13 HA GLU 2 HA GLU 2 1.596 7.179 -8.909 14 1HB GLU 2 HBR GLU 2 2.988 5.865 -6.565 15 2HB GLU 2 HBS GLU 2 1.996 5.092 -7.676 16 1HG GLU 2 HGS GLU 2 4.281 6.640 -8.777 17 2HG GLU 2 HGR GLU 2 4.634 5.023 -8.110 18 H LEU 3 HN LEU 3 0.214 5.283 -7.512 19 HA LEU 3 HA LEU 3 -1.931 5.112 -6.780 20 1HB LEU 3 HBS LEU 3 -0.154 6.291 -4.689 21 2HB LEU 3 HBR LEU 3 -1.862 5.889 -4.314 22 HG LEU 3 HG LEU 3 -1.433 3.607 -5.167 23 1HD1 LEU 3 HMD LEU 3 1.236 4.857 -5.566 24 2HD1 LEU 3 HMD LEU 3 1.168 3.123 -5.157 25 3HD1 LEU 3 HMD LEU 3 0.309 3.735 -6.593 26 1HD2 LEU 3 HMD LEU 3 -1.200 4.354 -2.693 27 2HD2 LEU 3 HMD LEU 3 -0.442 2.809 -3.148 28 3HD2 LEU 3 HMD LEU 3 0.557 4.271 -2.967 29 HA PRO 4 HA PRO 4 -3.717 9.199 -7.934 30 1HB PRO 4 HBR PRO 4 -5.716 7.697 -9.111 31 2HB PRO 4 HBS PRO 4 -4.691 8.744 -9.850 32 1HG PRO 4 HGS PRO 4 -4.673 6.094 -10.139 33 2HG PRO 4 HGR PRO 4 -3.464 7.128 -10.640 34 1HD PRO 4 HDS PRO 4 -3.490 5.419 -8.408 35 2HD PRO 4 HDR PRO 4 -2.188 6.106 -9.163 36 H ILE 5 HN ILE 5 -5.423 10.278 -7.075 37 HA ILE 5 HA ILE 5 -5.814 9.373 -4.415 38 HB ILE 5 HB ILE 5 -7.269 11.444 -4.227 39 1HG1 ILE 5 HG1 ILE 5 -6.833 12.927 -6.461 40 2HG1 ILE 5 HG1 ILE 5 -6.955 11.298 -7.184 41 1HG2 ILE 5 HMG ILE 5 -4.472 11.595 -5.314 42 2HG2 ILE 5 HMG ILE 5 -5.379 13.070 -4.891 43 3HG2 ILE 5 HMG ILE 5 -5.059 11.833 -3.647 44 1HD1 ILE 5 HMD ILE 5 -9.116 11.245 -5.571 45 2HD1 ILE 5 HMD ILE 5 -9.031 12.994 -5.911 46 3HD1 ILE 5 HMD ILE 5 -9.152 11.828 -7.256 47 H ALA 6 HN ALA 6 -7.574 8.800 -7.294 48 HA ALA 6 HA ALA 6 -10.127 8.268 -6.154 49 1HB ALA 6 HMB ALA 6 -8.885 8.149 -8.713 50 2HB ALA 6 HMB ALA 6 -9.645 6.568 -8.396 51 3HB ALA 6 HMB ALA 6 -10.618 8.059 -8.307 52 HA PRO 7 HA PRO 7 -8.549 3.690 -6.066 53 1HB PRO 7 HBR PRO 7 -5.810 3.607 -6.014 54 2HB PRO 7 HBS PRO 7 -6.792 2.989 -7.176 55 1HG PRO 7 HGS PRO 7 -5.271 5.304 -7.270 56 2HG PRO 7 HGR PRO 7 -6.003 4.496 -8.533 57 1HD PRO 7 HDS PRO 7 -6.841 6.829 -7.553 58 2HD PRO 7 HDR PRO 7 -7.772 5.805 -8.458 59 H ILE 8 HN ILE 8 -6.622 6.068 -4.492 60 HA ILE 8 HA ILE 8 -6.354 4.781 -1.987 61 HB ILE 8 HB ILE 8 -6.656 7.757 -2.626 62 1HG1 ILE 8 HG1 ILE 8 -4.877 6.398 -3.858 63 2HG1 ILE 8 HG1 ILE 8 -4.344 7.872 -3.002 64 1HG2 ILE 8 HMG ILE 8 -5.906 6.300 -0.132 65 2HG2 ILE 8 HMG ILE 8 -5.072 7.830 -0.516 66 3HG2 ILE 8 HMG ILE 8 -6.849 7.798 -0.359 67 1HD1 ILE 8 HMD ILE 8 -4.112 5.106 -1.800 68 2HD1 ILE 8 HMD ILE 8 -2.840 5.847 -2.805 69 3HD1 ILE 8 HMD ILE 8 -3.327 6.617 -1.272 70 H GLY 9 HN GLY 9 -8.608 7.478 -2.645 71 1HA GLY 9 HAS GLY 9 -10.022 7.150 -0.290 72 2HA GLY 9 HAR GLY 9 -10.650 8.015 -1.718 73 H ARG 10 HN ARG 10 -10.302 5.365 -3.244 74 HA ARG 10 HA ARG 10 -12.926 4.287 -2.752 75 1HB ARG 10 HBS ARG 10 -10.638 3.563 -4.578 76 2HB ARG 10 HBR ARG 10 -12.038 2.470 -4.378 77 1HG ARG 10 HGS ARG 10 -13.113 5.036 -4.849 78 2HG ARG 10 HGR ARG 10 -11.765 4.844 -6.006 79 1HD ARG 10 HDS ARG 10 -13.196 2.397 -5.896 80 2HD ARG 10 HDR ARG 10 -14.376 3.725 -6.079 81 HE ARG 10 HE ARG 10 -12.515 2.776 -8.061 82 1HH1 ARG 10 HH1 ARG 10 -13.873 5.790 -6.835 83 2HH1 ARG 10 HH1 ARG 10 -13.920 6.532 -8.399 84 1HH2 ARG 10 HH2 ARG 10 -12.713 3.731 -10.107 85 2HH2 ARG 10 HH2 ARG 10 -13.263 5.368 -10.251 86 H ILE 11 HN ILE 11 -9.601 3.255 -2.050 87 HA ILE 11 HA ILE 11 -10.255 0.850 -0.618 88 HB ILE 11 HB ILE 11 -7.920 2.809 -0.397 89 1HG1 ILE 11 HG1 ILE 11 -8.353 1.563 -2.570 90 2HG1 ILE 11 HG1 ILE 11 -6.727 1.392 -1.851 91 1HG2 ILE 11 HMG ILE 11 -8.637 0.751 1.414 92 2HG2 ILE 11 HMG ILE 11 -7.212 0.193 0.497 93 3HG2 ILE 11 HMG ILE 11 -7.155 1.742 1.378 94 1HD1 ILE 11 HMD ILE 11 -8.744 -0.678 -1.140 95 2HD1 ILE 11 HMD ILE 11 -8.125 -0.679 -2.813 96 3HD1 ILE 11 HMD ILE 11 -6.992 -0.826 -1.442 97 H ILE 12 HN ILE 12 -9.528 4.182 0.496 98 HA ILE 12 HA ILE 12 -10.009 3.616 3.206 99 HB ILE 12 HB ILE 12 -10.308 6.372 1.932 100 1HG1 ILE 12 HG1 ILE 12 -8.371 5.503 0.890 101 2HG1 ILE 12 HG1 ILE 12 -7.801 6.565 2.207 102 1HG2 ILE 12 HMG ILE 12 -10.514 5.648 4.540 103 2HG2 ILE 12 HMG ILE 12 -8.779 6.044 4.425 104 3HG2 ILE 12 HMG ILE 12 -10.003 7.256 3.962 105 1HD1 ILE 12 HMD ILE 12 -8.037 3.571 2.538 106 2HD1 ILE 12 HMD ILE 12 -6.576 4.354 1.876 107 3HD1 ILE 12 HMD ILE 12 -7.123 4.738 3.530 108 H LYS 13 HN LYS 13 -12.179 4.482 0.611 109 HA LYS 13 HA LYS 13 -14.488 4.967 2.288 110 1HB LYS 13 HBS LYS 13 -14.247 5.734 -0.097 111 2HB LYS 13 HBR LYS 13 -14.442 4.030 -0.597 112 1HG LYS 13 HGR LYS 13 -16.595 4.571 1.152 113 2HG LYS 13 HGS LYS 13 -16.460 5.998 0.087 114 1HD LYS 13 HDS LYS 13 -17.169 4.914 -1.711 115 2HD LYS 13 HDR LYS 13 -16.179 3.521 -1.375 116 1HE LYS 13 HES LYS 13 -17.989 3.124 0.532 117 2HE LYS 13 HER LYS 13 -18.981 4.069 -0.614 118 1HZ LYS 13 HZA LYS 13 -17.451 1.664 -1.333 119 2HZ LYS 13 HZB LYS 13 -19.050 1.676 -1.000 120 3HZ LYS 13 HZC LYS 13 -18.480 2.490 -2.296 121 H ASP 14 HN ASP 14 -13.073 2.162 0.616 122 HA ASP 14 HA ASP 14 -14.926 0.286 1.246 123 1HB ASP 14 HBS ASP 14 -12.814 0.049 -0.121 124 2HB ASP 14 HBR ASP 14 -11.988 -0.314 1.421 125 H ALA 15 HN ALA 15 -12.385 1.523 3.363 126 HA ALA 15 HA ALA 15 -13.000 0.197 5.734 127 1HB ALA 15 HMB ALA 15 -11.345 2.208 5.044 128 2HB ALA 15 HMB ALA 15 -12.601 3.127 5.913 129 3HB ALA 15 HMB ALA 15 -11.749 1.792 6.730 130 H GLY 16 HN GLY 16 -14.599 3.032 4.285 131 1HA GLY 16 HAR GLY 16 -17.008 3.343 4.876 132 2HA GLY 16 HAS GLY 16 -16.533 3.061 6.572 133 H ALA 17 HN ALA 17 -14.414 4.815 4.413 134 HA ALA 17 HA ALA 17 -14.298 7.025 6.146 135 1HB ALA 17 HMB ALA 17 -13.321 6.641 3.306 136 2HB ALA 17 HMB ALA 17 -12.890 8.022 4.345 137 3HB ALA 17 HMB ALA 17 -12.419 6.370 4.817 138 H GLU 18 HN GLU 18 -15.307 8.903 6.257 139 HA GLU 18 HA GLU 18 -17.389 9.521 4.264 140 1HB GLU 18 HBS GLU 18 -16.708 10.984 6.759 141 2HB GLU 18 HBR GLU 18 -18.195 10.991 5.981 142 1HG GLU 18 HGS GLU 18 -17.966 8.327 6.513 143 2HG GLU 18 HGR GLU 18 -16.973 8.942 7.861 144 H ARG 19 HN ARG 19 -15.895 10.145 2.593 145 HA ARG 19 HA ARG 19 -14.693 11.632 1.333 146 1HB ARG 19 HBS ARG 19 -15.346 13.628 3.526 147 2HB ARG 19 HBR ARG 19 -14.568 13.998 1.960 148 1HG ARG 19 HGS ARG 19 -17.359 12.850 2.295 149 2HG ARG 19 HGR ARG 19 -16.981 14.575 2.024 150 1HD ARG 19 HDS ARG 19 -16.245 14.212 -0.126 151 2HD ARG 19 HDR ARG 19 -15.938 12.476 0.162 152 HE ARG 19 HE ARG 19 -18.736 13.375 0.284 153 1HH1 ARG 19 HH1 ARG 19 -16.201 11.565 -1.368 154 2HH1 ARG 19 HH1 ARG 19 -17.288 10.903 -2.542 155 1HH2 ARG 19 HH2 ARG 19 -20.104 12.589 -1.343 156 2HH2 ARG 19 HH2 ARG 19 -19.497 11.481 -2.528 157 H VAL 20 HN VAL 20 -12.586 11.658 1.107 158 HA VAL 20 HA VAL 20 -10.903 12.115 3.513 159 HB VAL 20 HB VAL 20 -10.250 10.453 1.070 160 1HG1 VAL 20 HMG VAL 20 -8.420 11.900 2.461 161 2HG1 VAL 20 HMG VAL 20 -8.413 10.374 3.377 162 3HG1 VAL 20 HMG VAL 20 -8.079 10.364 1.629 163 1HG2 VAL 20 HMG VAL 20 -11.787 9.434 2.777 164 2HG2 VAL 20 HMG VAL 20 -10.274 8.545 2.474 165 3HG2 VAL 20 HMG VAL 20 -10.445 9.538 3.943 166 H SER 21 HN SER 21 -9.835 13.926 3.519 167 HA SER 21 HA SER 21 -10.070 15.842 1.373 168 1HB SER 21 HBS SER 21 -9.943 16.729 3.545 169 2HB SER 21 HBR SER 21 -8.478 15.786 3.943 170 HG SER 21 HG SER 21 -8.910 18.021 2.150 171 H ASP 22 HN ASP 22 -8.436 16.670 0.074 172 HA ASP 22 HA ASP 22 -7.125 14.610 -1.271 173 1HB ASP 22 HBS ASP 22 -6.327 16.212 -2.796 174 2HB ASP 22 HBR ASP 22 -7.959 16.714 -2.267 175 H ASP 23 HN ASP 23 -6.119 16.369 1.462 176 HA ASP 23 HA ASP 23 -3.296 15.867 1.241 177 1HB ASP 23 HBR ASP 23 -5.083 17.039 3.166 178 2HB ASP 23 HBS ASP 23 -3.937 15.916 3.953 179 H ALA 24 HN ALA 24 -5.851 14.234 3.148 180 HA ALA 24 HA ALA 24 -4.290 12.114 3.978 181 1HB ALA 24 HMB ALA 24 -7.192 12.643 3.720 182 2HB ALA 24 HMB ALA 24 -6.712 10.935 3.890 183 3HB ALA 24 HMB ALA 24 -6.225 12.124 5.124 184 H ARG 25 HN ARG 25 -6.367 12.293 1.080 185 HA ARG 25 HA ARG 25 -5.996 9.701 0.157 186 1HB ARG 25 HBR ARG 25 -7.339 11.898 -0.743 187 2HB ARG 25 HBS ARG 25 -6.039 11.759 -1.962 188 1HG ARG 25 HGS ARG 25 -7.153 10.138 -2.995 189 2HG ARG 25 HGR ARG 25 -7.147 9.156 -1.502 190 1HD ARG 25 HDS ARG 25 -9.380 9.355 -1.865 191 2HD ARG 25 HDR ARG 25 -9.090 10.770 -0.816 192 HE ARG 25 HE ARG 25 -8.980 11.199 -3.727 193 1HH1 ARG 25 HH1 ARG 25 -10.991 11.256 -0.833 194 2HH1 ARG 25 HH1 ARG 25 -12.006 12.526 -1.430 195 1HH2 ARG 25 HH2 ARG 25 -10.248 12.946 -4.421 196 2HH2 ARG 25 HH2 ARG 25 -11.587 13.482 -3.461 197 H ILE 26 HN ILE 26 -4.123 12.623 -0.728 198 HA ILE 26 HA ILE 26 -2.280 11.144 -2.335 199 HB ILE 26 HB ILE 26 -2.123 13.979 -1.199 200 1HG1 ILE 26 HG1 ILE 26 -2.956 13.166 -3.999 201 2HG1 ILE 26 HG1 ILE 26 -4.120 13.264 -2.649 202 1HG2 ILE 26 HMG ILE 26 -0.233 12.454 -2.796 203 2HG2 ILE 26 HMG ILE 26 -0.762 13.947 -3.615 204 3HG2 ILE 26 HMG ILE 26 -0.048 14.032 -1.983 205 1HD1 ILE 26 HMD ILE 26 -3.244 15.672 -2.344 206 2HD1 ILE 26 HMD ILE 26 -2.562 15.473 -3.980 207 3HD1 ILE 26 HMD ILE 26 -4.321 15.325 -3.724 208 H THR 27 HN THR 27 -2.434 11.954 1.041 209 HA THR 27 HA THR 27 0.299 11.455 1.758 210 HB THR 27 HB THR 27 -2.308 11.156 3.349 211 HG1 THR 27 HG1 THR 27 -1.936 12.939 2.660 212 1HG2 THR 27 HMG THR 27 0.043 9.957 4.074 213 2HG2 THR 27 HMG THR 27 0.181 11.550 4.862 214 3HG2 THR 27 HMG THR 27 -1.225 10.507 5.200 215 H LEU 28 HN LEU 28 -2.622 9.377 1.802 216 HA LEU 28 HA LEU 28 -1.110 7.107 2.668 217 1HB LEU 28 HBS LEU 28 -3.475 7.734 3.225 218 2HB LEU 28 HBR LEU 28 -3.934 7.229 1.573 219 HG LEU 28 HG LEU 28 -3.430 4.955 2.034 220 1HD1 LEU 28 HMD LEU 28 -2.247 6.021 4.610 221 2HD1 LEU 28 HMD LEU 28 -2.671 4.308 4.368 222 3HD1 LEU 28 HMD LEU 28 -1.442 5.076 3.333 223 1HD2 LEU 28 HMD LEU 28 -5.492 6.245 3.056 224 2HD2 LEU 28 HMD LEU 28 -5.191 4.535 3.458 225 3HD2 LEU 28 HMD LEU 28 -4.717 5.816 4.603 226 H ALA 29 HN ALA 29 -1.805 8.447 -0.414 227 HA ALA 29 HA ALA 29 -1.151 6.052 -1.955 228 1HB ALA 29 HMB ALA 29 -1.797 8.878 -2.478 229 2HB ALA 29 HMB ALA 29 -0.580 8.172 -3.571 230 3HB ALA 29 HMB ALA 29 -2.183 7.410 -3.409 231 H LYS 30 HN LYS 30 0.500 9.063 -0.946 232 HA LYS 30 HA LYS 30 3.050 8.365 -1.873 233 1HB LYS 30 HBS LYS 30 1.968 10.558 -0.663 234 2HB LYS 30 HBR LYS 30 2.994 9.908 0.647 235 1HG LYS 30 HGR LYS 30 4.906 10.522 -0.383 236 2HG LYS 30 HGS LYS 30 4.320 10.000 -1.989 237 1HD LYS 30 HDS LYS 30 3.809 12.622 -0.595 238 2HD LYS 30 HDR LYS 30 4.755 12.329 -2.028 239 1HE LYS 30 HES LYS 30 2.009 11.371 -2.291 240 2HE LYS 30 HER LYS 30 2.149 13.125 -1.979 241 1HZ LYS 30 HZC LYS 30 4.053 12.547 -3.832 242 2HZ LYS 30 HZA LYS 30 2.754 11.686 -4.321 243 3HZ LYS 30 HZB LYS 30 2.629 13.299 -4.103 244 H ILE 31 HN ILE 31 1.332 7.438 1.036 245 HA ILE 31 HA ILE 31 3.587 6.283 2.465 246 HB ILE 31 HB ILE 31 0.556 5.916 2.619 247 1HG1 ILE 31 HG1 ILE 31 2.308 7.158 4.738 248 2HG1 ILE 31 HG1 ILE 31 1.840 8.096 3.291 249 1HG2 ILE 31 HMG ILE 31 2.623 4.245 3.753 250 2HG2 ILE 31 HMG ILE 31 1.654 5.027 5.030 251 3HG2 ILE 31 HMG ILE 31 0.850 4.052 3.771 252 1HD1 ILE 31 HMD ILE 31 -0.288 6.696 4.872 253 2HD1 ILE 31 HMD ILE 31 0.418 8.208 5.503 254 3HD1 ILE 31 HMD ILE 31 -0.375 8.193 3.906 255 H LEU 32 HN LEU 32 0.748 4.599 1.140 256 HA LEU 32 HA LEU 32 1.958 2.153 1.146 257 1HB LEU 32 HBS LEU 32 -0.510 3.313 0.469 258 2HB LEU 32 HBR LEU 32 -0.058 2.291 -0.926 259 HG LEU 32 HG LEU 32 0.413 0.632 1.223 260 1HD1 LEU 32 HMD LEU 32 -2.063 2.306 1.743 261 2HD1 LEU 32 HMD LEU 32 -1.725 0.731 2.503 262 3HD1 LEU 32 HMD LEU 32 -0.646 2.115 2.805 263 1HD2 LEU 32 HMD LEU 32 -0.634 0.103 -0.927 264 2HD2 LEU 32 HMD LEU 32 -1.628 -0.486 0.430 265 3HD2 LEU 32 HMD LEU 32 -2.099 0.994 -0.443 266 H GLU 33 HN GLU 33 2.261 4.612 -1.279 267 HA GLU 33 HA GLU 33 3.315 2.949 -3.348 268 1HB GLU 33 HBR GLU 33 2.336 5.187 -3.609 269 2HB GLU 33 HBS GLU 33 3.533 5.838 -2.630 270 1HG GLU 33 HGS GLU 33 5.284 4.966 -4.271 271 2HG GLU 33 HGR GLU 33 3.962 4.829 -5.462 272 H GLU 34 HN GLU 34 4.922 5.139 -0.997 273 HA GLU 34 HA GLU 34 7.559 4.453 -1.558 274 1HB GLU 34 HBR GLU 34 6.085 5.919 0.341 275 2HB GLU 34 HBS GLU 34 6.930 4.789 1.247 276 1HG GLU 34 HGS GLU 34 8.641 6.167 1.300 277 2HG GLU 34 HGR GLU 34 9.017 5.623 -0.358 278 H MET 35 HN MET 35 5.214 2.857 0.587 279 HA MET 35 HA MET 35 6.842 0.656 1.388 280 1HB MET 35 HBR MET 35 4.664 1.203 2.401 281 2HB MET 35 HBS MET 35 3.852 0.722 0.884 282 1HG MET 35 HGS MET 35 4.981 -1.554 1.139 283 2HG MET 35 HGR MET 35 5.474 -1.025 2.766 284 1HE MET 35 HME MET 35 4.385 -3.204 3.078 285 2HE MET 35 HME MET 35 2.945 -3.107 4.123 286 3HE MET 35 HME MET 35 2.784 -3.641 2.431 287 H GLY 36 HN GLY 36 4.492 0.980 -1.304 288 1HA GLY 36 HAR GLY 36 4.742 -1.591 -2.233 289 2HA GLY 36 HAS GLY 36 4.228 -0.222 -3.255 290 H ARG 37 HN ARG 37 6.593 1.276 -3.282 291 HA ARG 37 HA ARG 37 8.103 -0.047 -5.358 292 1HB ARG 37 HBS ARG 37 7.831 2.422 -5.190 293 2HB ARG 37 HBR ARG 37 8.844 2.397 -3.718 294 1HG ARG 37 HGS ARG 37 10.517 1.137 -5.391 295 2HG ARG 37 HGR ARG 37 9.605 2.102 -6.587 296 1HD ARG 37 HDS ARG 37 11.111 3.671 -6.092 297 2HD ARG 37 HDR ARG 37 10.047 3.959 -4.686 298 HE ARG 37 HE ARG 37 11.814 3.333 -3.370 299 1HH1 ARG 37 HH1 ARG 37 12.307 1.915 -6.560 300 2HH1 ARG 37 HH1 ARG 37 13.714 1.032 -6.070 301 1HH2 ARG 37 HH2 ARG 37 13.579 2.062 -2.734 302 2HH2 ARG 37 HH2 ARG 37 14.434 1.115 -3.905 303 H ASP 38 HN ASP 38 8.482 0.519 -1.880 304 HA ASP 38 HA ASP 38 11.024 -0.581 -1.562 305 1HB ASP 38 HBR ASP 38 8.903 0.272 0.129 306 2HB ASP 38 HBS ASP 38 9.518 -1.300 0.714 307 H ILE 39 HN ILE 39 7.875 -2.260 -1.319 308 HA ILE 39 HA ILE 39 9.014 -4.817 -0.806 309 HB ILE 39 HB ILE 39 6.349 -4.473 -2.226 310 1HG1 ILE 39 HG1 ILE 39 6.958 -3.739 0.661 311 2HG1 ILE 39 HG1 ILE 39 6.275 -2.703 -0.625 312 1HG2 ILE 39 HMG ILE 39 7.215 -6.732 -1.686 313 2HG2 ILE 39 HMG ILE 39 7.142 -6.303 0.043 314 3HG2 ILE 39 HMG ILE 39 5.647 -6.346 -0.928 315 1HD1 ILE 39 HMD ILE 39 4.629 -5.048 -0.206 316 2HD1 ILE 39 HMD ILE 39 4.875 -4.150 1.315 317 3HD1 ILE 39 HMD ILE 39 4.208 -3.318 -0.115 318 H ALA 40 HN ALA 40 8.624 -2.953 -3.695 319 HA ALA 40 HA ALA 40 8.445 -5.121 -5.599 320 1HB ALA 40 HMB ALA 40 8.619 -2.201 -5.623 321 2HB ALA 40 HMB ALA 40 9.557 -2.974 -6.926 322 3HB ALA 40 HMB ALA 40 7.818 -3.323 -6.750 323 H SER 41 HN SER 41 11.098 -2.774 -5.007 324 HA SER 41 HA SER 41 12.973 -4.376 -6.473 325 1HB SER 41 HBR SER 41 14.520 -2.663 -4.985 326 2HB SER 41 HBS SER 41 13.810 -2.330 -6.591 327 HG SER 41 HG SER 41 12.837 -0.751 -5.782 328 H GLU 42 HN GLU 42 11.808 -4.463 -3.256 329 HA GLU 42 HA GLU 42 13.982 -6.074 -2.138 330 1HB GLU 42 HBR GLU 42 11.247 -5.167 -1.433 331 2HB GLU 42 HBS GLU 42 11.644 -6.707 -0.897 332 1HG GLU 42 HGS GLU 42 12.997 -4.158 -0.148 333 2HG GLU 42 HGR GLU 42 12.313 -5.371 0.967 334 H ALA 43 HN ALA 43 10.587 -6.831 -3.034 335 HA ALA 43 HA ALA 43 10.908 -9.572 -3.215 336 1HB ALA 43 HMB ALA 43 8.756 -8.421 -3.141 337 2HB ALA 43 HMB ALA 43 9.005 -7.825 -4.802 338 3HB ALA 43 HMB ALA 43 8.835 -9.574 -4.499 339 H ILE 44 HN ILE 44 12.076 -7.172 -5.363 340 HA ILE 44 HA ILE 44 12.423 -9.005 -7.576 341 HB ILE 44 HB ILE 44 13.187 -6.110 -7.014 342 1HG1 ILE 44 HG1 ILE 44 11.377 -7.160 -9.193 343 2HG1 ILE 44 HG1 ILE 44 10.802 -6.993 -7.510 344 1HG2 ILE 44 HMG ILE 44 14.913 -7.229 -8.502 345 2HG2 ILE 44 HMG ILE 44 13.606 -7.408 -9.702 346 3HG2 ILE 44 HMG ILE 44 14.093 -5.784 -9.150 347 1HD1 ILE 44 HMD ILE 44 11.693 -4.550 -7.727 348 2HD1 ILE 44 HMD ILE 44 11.602 -4.867 -9.480 349 3HD1 ILE 44 HMD ILE 44 10.134 -4.990 -8.474 350 H LYS 45 HN LYS 45 14.655 -7.263 -5.377 351 HA LYS 45 HA LYS 45 16.966 -8.811 -5.836 352 1HB LYS 45 HBR LYS 45 16.931 -6.778 -4.450 353 2HB LYS 45 HBS LYS 45 15.986 -7.648 -3.207 354 1HG LYS 45 HGR LYS 45 18.050 -7.942 -2.291 355 2HG LYS 45 HGS LYS 45 18.083 -9.332 -3.413 356 1HD LYS 45 HDS LYS 45 19.024 -7.412 -5.042 357 2HD LYS 45 HDR LYS 45 19.536 -6.757 -3.511 358 1HE LYS 45 HES LYS 45 20.712 -8.820 -2.958 359 2HE LYS 45 HER LYS 45 20.174 -9.521 -4.510 360 1HZ LYS 45 HZA LYS 45 21.343 -7.647 -5.575 361 2HZ LYS 45 HZB LYS 45 21.970 -7.232 -4.126 362 3HZ LYS 45 HZC LYS 45 22.334 -8.678 -4.789 363 H LEU 46 HN LEU 46 13.935 -9.655 -4.455 364 HA LEU 46 HA LEU 46 14.901 -11.928 -2.980 365 1HB LEU 46 HBR LEU 46 12.364 -10.551 -3.609 366 2HB LEU 46 HBS LEU 46 12.220 -12.304 -3.304 367 HG LEU 46 HG LEU 46 13.135 -12.049 -1.093 368 1HD1 LEU 46 HMD LEU 46 14.550 -10.005 -2.028 369 2HD1 LEU 46 HMD LEU 46 13.191 -9.069 -1.354 370 3HD1 LEU 46 HMD LEU 46 14.141 -10.147 -0.300 371 1HD2 LEU 46 HMD LEU 46 10.711 -10.890 -1.992 372 2HD2 LEU 46 HMD LEU 46 11.105 -11.500 -0.364 373 3HD2 LEU 46 HMD LEU 46 11.391 -9.788 -0.768 374 H ALA 47 HN ALA 47 13.135 -11.531 -6.064 375 HA ALA 47 HA ALA 47 13.261 -14.275 -6.882 376 1HB ALA 47 HMB ALA 47 12.744 -11.634 -8.163 377 2HB ALA 47 HMB ALA 47 13.204 -12.998 -9.213 378 3HB ALA 47 HMB ALA 47 11.775 -13.130 -8.155 379 H ARG 48 HN ARG 48 15.606 -11.790 -6.544 380 HA ARG 48 HA ARG 48 17.535 -12.914 -8.441 381 1HB ARG 48 HBR ARG 48 17.302 -10.511 -6.887 382 2HB ARG 48 HBS ARG 48 18.827 -11.340 -6.460 383 1HG ARG 48 HGS ARG 48 19.253 -11.482 -8.985 384 2HG ARG 48 HGR ARG 48 17.927 -10.297 -9.153 385 1HD ARG 48 HDS ARG 48 20.119 -9.232 -9.107 386 2HD ARG 48 HDR ARG 48 19.099 -8.743 -7.725 387 HE ARG 48 HE ARG 48 20.803 -9.491 -6.391 388 1HH1 ARG 48 HH1 ARG 48 20.998 -11.252 -9.438 389 2HH1 ARG 48 HH1 ARG 48 22.252 -12.305 -8.876 390 1HH2 ARG 48 HH2 ARG 48 22.353 -10.969 -5.648 391 2HH2 ARG 48 HH2 ARG 48 23.021 -12.145 -6.731 392 H HIS 49 HN HIS 49 16.814 -12.993 -4.967 393 HA HIS 49 HA HIS 49 18.869 -14.811 -4.184 394 1HB HIS 49 HBS HIS 49 17.405 -13.629 -2.536 395 2HB HIS 49 HBR HIS 49 16.040 -14.658 -3.060 396 HD1 HIS 49 HD1 HIS 49 18.188 -14.523 -0.297 397 HD2 HIS 49 HD2 HIS 49 17.132 -17.565 -2.940 398 HE1 HIS 49 HE1 HIS 49 18.530 -16.679 0.934 399 HE2 HIS 49 HE2 HIS 49 17.876 -18.523 -0.654 400 H ALA 50 HN ALA 50 15.751 -15.189 -5.786 401 HA ALA 50 HA ALA 50 15.821 -18.068 -6.046 402 1HB ALA 50 HMB ALA 50 14.233 -15.847 -6.984 403 2HB ALA 50 HMB ALA 50 14.647 -16.937 -8.331 404 3HB ALA 50 HMB ALA 50 13.829 -17.579 -6.885 405 H GLY 51 HN GLY 51 17.023 -15.290 -7.934 406 1HA GLY 51 HAR GLY 51 19.003 -15.233 -9.153 407 2HA GLY 51 HAS GLY 51 19.068 -17.015 -9.120 408 H ARG 52 HN ARG 52 16.035 -15.657 -10.016 409 HA ARG 52 HA ARG 52 16.213 -15.257 -12.702 410 1HB ARG 52 HBS ARG 52 15.481 -17.409 -13.718 411 2HB ARG 52 HBR ARG 52 17.171 -17.395 -13.137 412 1HG ARG 52 HGS ARG 52 15.436 -18.378 -11.056 413 2HG ARG 52 HGR ARG 52 15.136 -19.280 -12.569 414 1HD ARG 52 HDS ARG 52 17.785 -18.854 -11.186 415 2HD ARG 52 HDR ARG 52 16.848 -20.370 -11.288 416 HE ARG 52 HE ARG 52 18.248 -19.043 -13.549 417 1HH1 ARG 52 HH1 ARG 52 16.416 -21.789 -12.308 418 2HH1 ARG 52 HH1 ARG 52 17.013 -22.873 -13.519 419 1HH2 ARG 52 HH2 ARG 52 19.105 -20.523 -15.038 420 2HH2 ARG 52 HH2 ARG 52 18.535 -22.158 -15.065 421 H LYS 53 HN LYS 53 14.048 -16.327 -13.836 422 HA LYS 53 HA LYS 53 11.771 -16.555 -13.886 423 1HB LYS 53 HBS LYS 53 12.602 -18.154 -11.895 424 2HB LYS 53 HBR LYS 53 11.597 -17.020 -10.948 425 1HG LYS 53 HGR LYS 53 9.849 -18.311 -11.501 426 2HG LYS 53 HGS LYS 53 10.001 -17.638 -13.149 427 1HD LYS 53 HDS LYS 53 11.889 -19.753 -12.865 428 2HD LYS 53 HDR LYS 53 10.363 -20.311 -12.237 429 1HE LYS 53 HES LYS 53 11.011 -19.393 -15.008 430 2HE LYS 53 HER LYS 53 10.241 -20.903 -14.445 431 1HZ LYS 53 HZC LYS 53 8.588 -18.950 -13.602 432 2HZ LYS 53 HZA LYS 53 9.055 -18.406 -15.071 433 3HZ LYS 53 HZB LYS 53 8.365 -19.880 -14.927 434 H THR 54 HN THR 54 9.697 -15.947 -12.423 435 HA THR 54 HA THR 54 9.864 -13.032 -12.518 436 HB THR 54 HB THR 54 7.270 -14.498 -11.963 437 HG1 THR 54 HG1 THR 54 8.646 -14.288 -14.297 438 1HG2 THR 54 HMG THR 54 7.993 -12.184 -13.779 439 2HG2 THR 54 HMG THR 54 6.368 -12.898 -13.621 440 3HG2 THR 54 HMG THR 54 7.135 -12.111 -12.218 441 H ILE 55 HN ILE 55 8.566 -11.747 -10.968 442 HA ILE 55 HA ILE 55 9.103 -12.384 -8.179 443 HB ILE 55 HB ILE 55 7.240 -10.244 -9.303 444 1HG1 ILE 55 HG1 ILE 55 9.275 -9.949 -10.486 445 2HG1 ILE 55 HG1 ILE 55 9.248 -8.720 -9.189 446 1HG2 ILE 55 HMG ILE 55 7.466 -10.904 -6.753 447 2HG2 ILE 55 HMG ILE 55 8.903 -9.853 -6.862 448 3HG2 ILE 55 HMG ILE 55 7.293 -9.209 -7.280 449 1HD1 ILE 55 HMD ILE 55 10.617 -10.595 -7.893 450 2HD1 ILE 55 HMD ILE 55 11.029 -11.088 -9.557 451 3HD1 ILE 55 HMD ILE 55 11.406 -9.438 -8.998 452 H LYS 56 HN LYS 56 7.731 -13.171 -6.691 453 HA LYS 56 HA LYS 56 5.185 -14.334 -7.726 454 1HB LYS 56 HBS LYS 56 5.891 -16.261 -6.086 455 2HB LYS 56 HBR LYS 56 6.484 -16.211 -7.771 456 1HG LYS 56 HGR LYS 56 8.554 -15.012 -6.821 457 2HG LYS 56 HGS LYS 56 7.974 -15.545 -5.216 458 1HD LYS 56 HDS LYS 56 8.515 -17.409 -7.527 459 2HD LYS 56 HDR LYS 56 9.695 -16.981 -6.318 460 1HE LYS 56 HES LYS 56 7.327 -17.774 -4.953 461 2HE LYS 56 HER LYS 56 7.720 -18.988 -6.203 462 1HZ LYS 56 HZC LYS 56 9.984 -18.981 -5.290 463 2HZ LYS 56 HZA LYS 56 9.489 -18.018 -4.068 464 3HZ LYS 56 HZB LYS 56 8.867 -19.520 -4.227 465 H ALA 57 HN ALA 57 4.223 -15.580 -5.626 466 HA ALA 57 HA ALA 57 3.174 -13.313 -4.225 467 1HB ALA 57 HMB ALA 57 2.614 -16.282 -4.101 468 2HB ALA 57 HMB ALA 57 1.723 -15.068 -3.149 469 3HB ALA 57 HMB ALA 57 1.678 -15.012 -4.930 470 H GLU 58 HN GLU 58 4.627 -16.369 -3.032 471 HA GLU 58 HA GLU 58 5.143 -15.527 -0.380 472 1HB GLU 58 HBR GLU 58 5.270 -17.818 -1.554 473 2HB GLU 58 HBS GLU 58 6.756 -17.314 -2.147 474 1HG GLU 58 HGS GLU 58 7.262 -16.744 0.405 475 2HG GLU 58 HGR GLU 58 6.160 -18.122 0.678 476 H ASP 59 HN ASP 59 6.753 -14.874 -3.423 477 HA ASP 59 HA ASP 59 9.137 -13.764 -2.450 478 1HB ASP 59 HBS ASP 59 7.688 -13.787 -4.956 479 2HB ASP 59 HBR ASP 59 8.514 -12.230 -4.662 480 H ILE 60 HN ILE 60 6.098 -12.053 -3.258 481 HA ILE 60 HA ILE 60 7.208 -9.599 -2.525 482 HB ILE 60 HB ILE 60 5.064 -10.433 -3.999 483 1HG1 ILE 60 HG1 ILE 60 4.588 -7.764 -3.881 484 2HG1 ILE 60 HG1 ILE 60 6.199 -7.841 -3.110 485 1HG2 ILE 60 HMG ILE 60 3.636 -10.560 -1.882 486 2HG2 ILE 60 HMG ILE 60 3.673 -8.778 -1.910 487 3HG2 ILE 60 HMG ILE 60 3.005 -9.677 -3.297 488 1HD1 ILE 60 HMD ILE 60 6.320 -9.508 -5.387 489 2HD1 ILE 60 HMD ILE 60 5.492 -8.013 -5.898 490 3HD1 ILE 60 HMD ILE 60 7.104 -7.924 -5.143 491 H GLU 61 HN GLU 61 5.146 -11.818 -0.688 492 HA GLU 61 HA GLU 61 4.767 -10.072 1.600 493 1HB GLU 61 HBR GLU 61 4.750 -13.076 1.598 494 2HB GLU 61 HBS GLU 61 3.975 -12.000 2.627 495 1HG GLU 61 HGS GLU 61 2.283 -11.407 1.236 496 2HG GLU 61 HGR GLU 61 3.156 -11.808 -0.268 497 H LEU 62 HN LEU 62 7.281 -12.145 0.360 498 HA LEU 62 HA LEU 62 8.750 -12.419 2.874 499 1HB LEU 62 HBR LEU 62 9.131 -13.086 -0.017 500 2HB LEU 62 HBS LEU 62 10.576 -12.937 1.022 501 HG LEU 62 HG LEU 62 8.266 -14.770 1.679 502 1HD1 LEU 62 HMD LEU 62 9.929 -14.930 -0.555 503 2HD1 LEU 62 HMD LEU 62 10.680 -16.021 0.636 504 3HD1 LEU 62 HMD LEU 62 8.977 -16.253 0.166 505 1HD2 LEU 62 HMD LEU 62 10.246 -13.950 3.278 506 2HD2 LEU 62 HMD LEU 62 9.616 -15.616 3.315 507 3HD2 LEU 62 HMD LEU 62 11.115 -15.250 2.425 508 H ALA 63 HN ALA 63 8.775 -10.348 -0.021 509 HA ALA 63 HA ALA 63 10.850 -8.562 0.854 510 1HB ALA 63 HMB ALA 63 8.651 -8.533 -1.170 511 2HB ALA 63 HMB ALA 63 9.411 -6.990 -0.705 512 3HB ALA 63 HMB ALA 63 10.408 -8.309 -1.370 513 H VAL 64 HN VAL 64 7.423 -8.950 1.522 514 HA VAL 64 HA VAL 64 7.040 -6.444 2.930 515 HB VAL 64 HB VAL 64 5.577 -9.086 2.868 516 1HG1 VAL 64 HMG VAL 64 5.189 -8.116 5.060 517 2HG1 VAL 64 HMG VAL 64 4.735 -6.561 4.321 518 3HG1 VAL 64 HMG VAL 64 3.722 -8.002 4.060 519 1HG2 VAL 64 HMG VAL 64 5.647 -7.241 0.939 520 2HG2 VAL 64 HMG VAL 64 4.208 -8.226 1.298 521 3HG2 VAL 64 HMG VAL 64 4.329 -6.564 1.925 522 H ARG 65 HN ARG 65 6.922 -9.736 4.272 523 HA ARG 65 HA ARG 65 7.450 -8.973 6.845 524 1HB ARG 65 HBR ARG 65 6.558 -11.160 6.237 525 2HB ARG 65 HBS ARG 65 8.146 -11.640 5.572 526 1HG ARG 65 HGS ARG 65 8.370 -10.733 8.328 527 2HG ARG 65 HGR ARG 65 7.196 -12.069 8.168 528 1HD ARG 65 HDS ARG 65 9.926 -12.151 6.912 529 2HD ARG 65 HDR ARG 65 9.623 -12.677 8.591 530 HE ARG 65 HE ARG 65 8.492 -13.937 6.147 531 1HH1 ARG 65 HH1 ARG 65 8.917 -13.954 9.647 532 2HH1 ARG 65 HH1 ARG 65 8.635 -15.656 9.783 533 1HH2 ARG 65 HH2 ARG 65 8.253 -16.182 6.350 534 2HH2 ARG 65 HH2 ARG 65 8.256 -16.918 7.918 535 H ARG 66 HN ARG 66 9.715 -9.195 4.281 536 HA ARG 66 HA ARG 66 12.131 -9.368 5.813 537 1HB ARG 66 HBS ARG 66 12.129 -9.677 3.397 538 2HB ARG 66 HBR ARG 66 11.580 -7.992 3.162 539 1HG ARG 66 HGS ARG 66 13.862 -7.885 2.719 540 2HG ARG 66 HGR ARG 66 13.750 -7.345 4.418 541 1HD ARG 66 HDS ARG 66 14.411 -9.497 5.209 542 2HD ARG 66 HDR ARG 66 14.344 -10.175 3.558 543 HE ARG 66 HE ARG 66 16.152 -8.025 3.508 544 1HH1 ARG 66 HH1 ARG 66 15.888 -11.029 5.336 545 2HH1 ARG 66 HH1 ARG 66 17.595 -11.323 5.309 546 1HH2 ARG 66 HH2 ARG 66 18.362 -8.510 3.383 547 2HH2 ARG 66 HH2 ARG 66 18.996 -9.897 4.205 548 H PHE 67 HN PHE 67 10.254 -6.584 4.557 549 HA PHE 67 HA PHE 67 11.544 -4.561 5.980 550 1HB PHE 67 HBS PHE 67 8.530 -4.648 5.546 551 2HB PHE 67 HBR PHE 67 9.566 -3.212 5.789 552 HD1 PHE 67 HD1 PHE 67 11.663 -3.273 4.140 553 HD2 PHE 67 HD2 PHE 67 7.801 -4.850 3.275 554 HE1 PHE 67 HE1 PHE 67 12.187 -3.188 1.745 555 HE2 PHE 67 HE2 PHE 67 8.343 -4.869 0.862 556 HZ PHE 67 HZ PHE 67 10.533 -3.991 0.102 557 H LYS 68 HN LYS 68 8.701 -6.485 7.004 558 HA LYS 68 HA LYS 68 7.709 -6.783 9.056 559 1HB LYS 68 HBS LYS 68 9.974 -7.349 9.918 560 2HB LYS 68 HBR LYS 68 10.241 -5.615 10.257 561 1HG LYS 68 HGR LYS 68 8.230 -5.681 11.769 562 2HG LYS 68 HGS LYS 68 8.176 -7.451 11.529 563 1HD LYS 68 HDS LYS 68 9.379 -7.451 13.413 564 2HD LYS 68 HDR LYS 68 10.674 -7.323 12.255 565 1HE LYS 68 HES LYS 68 9.441 -4.944 13.636 566 2HE LYS 68 HER LYS 68 10.902 -5.810 14.188 567 1HZ LYS 68 HZA LYS 68 11.684 -5.342 11.816 568 2HZ LYS 68 HZB LYS 68 10.537 -4.178 11.800 569 3HZ LYS 68 HZC LYS 68 11.734 -4.131 12.911 570 H LYS 69 HN LYS 69 9.751 -3.938 9.755 571 HA LYS 69 HA LYS 69 7.571 -2.201 10.487 572 1HB LYS 69 HBS LYS 69 9.889 -1.799 11.206 573 2HB LYS 69 HBR LYS 69 10.365 -1.528 9.505 574 1HG LYS 69 HGR LYS 69 9.284 0.525 9.387 575 2HG LYS 69 HGS LYS 69 8.161 0.130 10.719 576 1HD LYS 69 HDS LYS 69 9.618 0.707 12.346 577 2HD LYS 69 HDR LYS 69 11.016 0.233 11.422 578 1HE LYS 69 HES LYS 69 10.093 2.361 9.961 579 2HE LYS 69 HER LYS 69 9.727 2.828 11.645 580 1HZ LYS 69 HZA LYS 69 12.224 1.797 11.735 581 2HZ LYS 69 HZB LYS 69 12.229 2.652 10.343 582 3HZ LYS 69 HZC LYS 69 11.839 3.386 11.749 583 1H MET 1 HN MET 1 -8.214 -6.589 -2.631 584 2H MET 1 HNC MET 1 -7.183 -7.856 -2.670 585 3H MET 1 HNB MET 1 -6.824 -6.486 -3.485 586 HA MET 1 HA MET 1 -7.492 -8.019 -5.066 587 1HB MET 1 HBS MET 1 -9.858 -8.432 -3.215 588 2HB MET 1 HBR MET 1 -9.754 -9.076 -4.878 589 1HG MET 1 HGS MET 1 -7.777 -10.390 -4.287 590 2HG MET 1 HGR MET 1 -7.733 -9.641 -2.673 591 1HE MET 1 HME MET 1 -9.526 -9.944 -0.869 592 2HE MET 1 HME MET 1 -10.869 -9.438 -1.923 593 3HE MET 1 HME MET 1 -10.992 -10.948 -0.986 594 H GLU 2 HN GLU 2 -7.650 -5.165 -4.387 595 HA GLU 2 HA GLU 2 -10.095 -4.375 -5.911 596 1HB GLU 2 HBR GLU 2 -9.181 -3.825 -3.319 597 2HB GLU 2 HBS GLU 2 -8.713 -2.479 -4.206 598 1HG GLU 2 HGS GLU 2 -11.522 -3.475 -3.896 599 2HG GLU 2 HGR GLU 2 -10.911 -1.892 -3.343 600 H LEU 3 HN LEU 3 -6.698 -3.518 -5.184 601 HA LEU 3 HA LEU 3 -6.613 -1.244 -6.935 602 1HB LEU 3 HBR LEU 3 -4.188 -2.826 -6.154 603 2HB LEU 3 HBS LEU 3 -4.423 -1.059 -6.254 604 HG LEU 3 HG LEU 3 -5.434 -2.895 -4.065 605 1HD1 LEU 3 HMD LEU 3 -3.053 -1.137 -4.426 606 2HD1 LEU 3 HMD LEU 3 -3.867 -1.097 -2.842 607 3HD1 LEU 3 HMD LEU 3 -3.244 -2.637 -3.484 608 1HD2 LEU 3 HMD LEU 3 -5.891 -0.024 -4.798 609 2HD2 LEU 3 HMD LEU 3 -7.022 -1.229 -4.132 610 3HD2 LEU 3 HMD LEU 3 -5.803 -0.473 -3.075 611 HA PRO 4 HA PRO 4 -5.800 -3.173 -10.841 612 1HB PRO 4 HBR PRO 4 -4.735 -0.953 -11.929 613 2HB PRO 4 HBS PRO 4 -6.308 -1.407 -12.052 614 1HG PRO 4 HGS PRO 4 -5.288 0.712 -10.650 615 2HG PRO 4 HGR PRO 4 -6.893 0.307 -10.856 616 1HD PRO 4 HDS PRO 4 -5.304 -0.092 -8.613 617 2HD PRO 4 HDR PRO 4 -6.937 -0.308 -8.754 618 H ILE 5 HN ILE 5 -4.205 -4.210 -11.852 619 HA ILE 5 HA ILE 5 -1.760 -4.235 -10.241 620 HB ILE 5 HB ILE 5 -1.340 -6.400 -11.352 621 1HG1 ILE 5 HG1 ILE 5 -3.538 -7.133 -12.788 622 2HG1 ILE 5 HG1 ILE 5 -3.455 -5.391 -13.177 623 1HG2 ILE 5 HMG ILE 5 -3.985 -5.905 -10.058 624 2HG2 ILE 5 HMG ILE 5 -3.645 -7.517 -10.741 625 3HG2 ILE 5 HMG ILE 5 -2.576 -6.837 -9.485 626 1HD1 ILE 5 HMD ILE 5 -0.825 -6.495 -13.391 627 2HD1 ILE 5 HMD ILE 5 -1.960 -7.533 -14.296 628 3HD1 ILE 5 HMD ILE 5 -1.857 -5.791 -14.664 629 H ALA 6 HN ALA 6 -2.836 -3.032 -13.260 630 HA ALA 6 HA ALA 6 -0.353 -2.927 -14.657 631 1HB ALA 6 HMB ALA 6 -2.965 -2.162 -15.150 632 2HB ALA 6 HMB ALA 6 -2.096 -0.611 -15.032 633 3HB ALA 6 HMB ALA 6 -1.557 -1.849 -16.195 634 HA PRO 7 HA PRO 7 0.076 1.464 -12.653 635 1HB PRO 7 HBR PRO 7 -1.438 1.790 -10.443 636 2HB PRO 7 HBS PRO 7 -1.691 2.524 -11.890 637 1HG PRO 7 HGS PRO 7 -3.101 0.403 -10.755 638 2HG PRO 7 HGR PRO 7 -3.586 1.443 -11.965 639 1HD PRO 7 HDS PRO 7 -2.848 -1.096 -12.349 640 2HD PRO 7 HDR PRO 7 -2.929 0.054 -13.535 641 H ILE 8 HN ILE 8 -0.714 -1.012 -10.357 642 HA ILE 8 HA ILE 8 1.472 -0.571 -8.601 643 HB ILE 8 HB ILE 8 -0.071 -3.118 -9.292 644 1HG1 ILE 8 HG1 ILE 8 -0.387 -1.062 -7.072 645 2HG1 ILE 8 HG1 ILE 8 -1.479 -1.323 -8.463 646 1HG2 ILE 8 HMG ILE 8 1.884 -2.575 -7.057 647 2HG2 ILE 8 HMG ILE 8 0.693 -3.902 -7.026 648 3HG2 ILE 8 HMG ILE 8 1.944 -3.856 -8.296 649 1HD1 ILE 8 HMD ILE 8 -1.260 -3.813 -7.149 650 2HD1 ILE 8 HMD ILE 8 -1.480 -2.584 -5.875 651 3HD1 ILE 8 HMD ILE 8 -2.664 -2.714 -7.202 652 H GLY 9 HN GLY 9 1.111 -2.861 -11.335 653 1HA GLY 9 HAR GLY 9 3.636 -3.961 -11.240 654 2HA GLY 9 HAS GLY 9 2.665 -3.839 -12.732 655 H ARG 10 HN ARG 10 2.725 -0.791 -12.298 656 HA ARG 10 HA ARG 10 5.226 -0.338 -13.756 657 1HB ARG 10 HBR ARG 10 3.013 1.608 -13.028 658 2HB ARG 10 HBS ARG 10 4.364 1.887 -14.165 659 1HG ARG 10 HGS ARG 10 2.796 -0.486 -14.845 660 2HG ARG 10 HGR ARG 10 1.808 1.002 -14.805 661 1HD ARG 10 HDS ARG 10 4.417 1.301 -16.107 662 2HD ARG 10 HDR ARG 10 3.313 0.148 -16.908 663 HE ARG 10 HE ARG 10 1.757 1.925 -17.260 664 1HH1 ARG 10 HH1 ARG 10 4.607 3.051 -15.517 665 2HH1 ARG 10 HH1 ARG 10 4.409 4.693 -16.034 666 1HH2 ARG 10 HH2 ARG 10 1.607 4.054 -18.023 667 2HH2 ARG 10 HH2 ARG 10 2.711 5.261 -17.451 668 H ILE 11 HN ILE 11 3.813 0.281 -10.608 669 HA ILE 11 HA ILE 11 5.896 1.974 -9.557 670 HB ILE 11 HB ILE 11 3.985 -0.013 -8.235 671 1HG1 ILE 11 HG1 ILE 11 3.922 2.994 -8.651 672 2HG1 ILE 11 HG1 ILE 11 2.794 1.766 -9.292 673 1HG2 ILE 11 HMG ILE 11 6.206 0.631 -7.004 674 2HG2 ILE 11 HMG ILE 11 5.343 2.161 -6.695 675 3HG2 ILE 11 HMG ILE 11 4.647 0.616 -6.136 676 1HD1 ILE 11 HMD ILE 11 3.114 2.534 -6.375 677 2HD1 ILE 11 HMD ILE 11 1.794 3.048 -7.461 678 3HD1 ILE 11 HMD ILE 11 1.976 1.326 -7.029 679 H ILE 12 HN ILE 12 5.340 -1.554 -9.682 680 HA ILE 12 HA ILE 12 7.756 -2.205 -8.222 681 HB ILE 12 HB ILE 12 6.168 -4.054 -10.057 682 1HG1 ILE 12 HG1 ILE 12 4.489 -3.030 -8.742 683 2HG1 ILE 12 HG1 ILE 12 4.808 -4.623 -8.003 684 1HG2 ILE 12 HMG ILE 12 8.340 -4.417 -8.198 685 2HG2 ILE 12 HMG ILE 12 6.920 -5.377 -7.708 686 3HG2 ILE 12 HMG ILE 12 7.606 -5.571 -9.343 687 1HD1 ILE 12 HMD ILE 12 6.105 -2.099 -6.972 688 2HD1 ILE 12 HMD ILE 12 4.488 -2.627 -6.436 689 3HD1 ILE 12 HMD ILE 12 5.905 -3.673 -6.157 690 H LYS 13 HN LYS 13 6.784 -1.942 -11.619 691 HA LYS 13 HA LYS 13 9.274 -2.641 -12.824 692 1HB LYS 13 HBR LYS 13 6.894 -0.993 -13.587 693 2HB LYS 13 HBS LYS 13 8.410 -0.778 -14.507 694 1HG LYS 13 HGR LYS 13 8.043 -3.566 -14.315 695 2HG LYS 13 HGS LYS 13 6.426 -2.896 -14.670 696 1HD LYS 13 HDS LYS 13 7.210 -1.791 -16.624 697 2HD LYS 13 HDR LYS 13 8.872 -2.130 -16.226 698 1HE LYS 13 HES LYS 13 8.705 -3.854 -17.612 699 2HE LYS 13 HER LYS 13 7.818 -4.642 -16.276 700 1HZ LYS 13 HZB LYS 13 5.942 -3.177 -17.510 701 2HZ LYS 13 HZC LYS 13 6.847 -3.685 -18.771 702 3HZ LYS 13 HZA LYS 13 6.191 -4.773 -17.744 703 H ASP 14 HN ASP 14 7.953 0.416 -11.541 704 HA ASP 14 HA ASP 14 9.993 2.061 -12.226 705 1HB ASP 14 HBS ASP 14 7.811 2.712 -11.249 706 2HB ASP 14 HBR ASP 14 8.468 2.294 -9.639 707 H ALA 15 HN ALA 15 9.841 -0.019 -9.379 708 HA ALA 15 HA ALA 15 12.356 0.471 -8.264 709 1HB ALA 15 HMB ALA 15 10.440 -1.165 -7.602 710 2HB ALA 15 HMB ALA 15 11.327 -2.327 -8.621 711 3HB ALA 15 HMB ALA 15 12.131 -1.576 -7.218 712 H GLY 16 HN GLY 16 11.475 -1.609 -11.019 713 1HA GLY 16 HAR GLY 16 13.296 -1.804 -12.740 714 2HA GLY 16 HAS GLY 16 14.366 -2.290 -11.399 715 H ALA 17 HN ALA 17 11.146 -3.377 -11.023 716 HA ALA 17 HA ALA 17 11.570 -6.137 -11.583 717 1HB ALA 17 HMB ALA 17 9.602 -4.656 -10.430 718 2HB ALA 17 HMB ALA 17 8.860 -5.054 -12.001 719 3HB ALA 17 HMB ALA 17 9.438 -6.358 -10.933 720 H GLU 18 HN GLU 18 11.500 -7.283 -13.390 721 HA GLU 18 HA GLU 18 11.067 -5.804 -15.953 722 1HB GLU 18 HBR GLU 18 12.810 -8.113 -15.125 723 2HB GLU 18 HBS GLU 18 12.241 -8.005 -16.700 724 1HG GLU 18 HGS GLU 18 13.816 -5.815 -15.377 725 2HG GLU 18 HGR GLU 18 14.523 -6.954 -16.555 726 H ARG 19 HN ARG 19 10.251 -8.546 -13.910 727 HA ARG 19 HA ARG 19 7.704 -8.795 -15.371 728 1HB ARG 19 HBR ARG 19 7.932 -11.301 -15.348 729 2HB ARG 19 HBS ARG 19 8.922 -10.433 -16.557 730 1HG ARG 19 HGS ARG 19 10.717 -10.612 -14.552 731 2HG ARG 19 HGR ARG 19 9.745 -12.073 -14.213 732 1HD ARG 19 HDS ARG 19 10.414 -13.120 -16.079 733 2HD ARG 19 HDR ARG 19 10.477 -11.612 -17.035 734 HE ARG 19 HE ARG 19 12.605 -11.190 -15.584 735 1HH1 ARG 19 HH1 ARG 19 11.565 -14.200 -17.097 736 2HH1 ARG 19 HH1 ARG 19 13.151 -14.896 -17.057 737 1HH2 ARG 19 HH2 ARG 19 14.637 -12.182 -15.432 738 2HH2 ARG 19 HH2 ARG 19 14.891 -13.753 -16.119 739 H VAL 20 HN VAL 20 6.181 -8.718 -13.920 740 HA VAL 20 HA VAL 20 6.600 -10.140 -11.341 741 HB VAL 20 HB VAL 20 4.620 -7.907 -11.799 742 1HG1 VAL 20 HMG VAL 20 4.223 -9.541 -9.926 743 2HG1 VAL 20 HMG VAL 20 5.730 -8.949 -9.186 744 3HG1 VAL 20 HMG VAL 20 4.366 -7.835 -9.439 745 1HG2 VAL 20 HMG VAL 20 7.005 -7.160 -12.107 746 2HG2 VAL 20 HMG VAL 20 6.093 -6.338 -10.819 747 3HG2 VAL 20 HMG VAL 20 7.280 -7.597 -10.404 748 H SER 21 HN SER 21 5.598 -11.978 -11.250 749 HA SER 21 HA SER 21 3.826 -12.853 -13.370 750 1HB SER 21 HBS SER 21 5.227 -14.507 -12.476 751 2HB SER 21 HBR SER 21 4.777 -14.112 -10.792 752 HG SER 21 HG SER 21 3.341 -15.549 -10.879 753 H ASP 22 HN ASP 22 1.694 -13.763 -12.925 754 HA ASP 22 HA ASP 22 0.036 -11.726 -12.019 755 1HB ASP 22 HBS ASP 22 -1.829 -13.304 -12.310 756 2HB ASP 22 HBR ASP 22 -0.713 -13.206 -13.703 757 H ASP 23 HN ASP 23 1.148 -14.615 -10.338 758 HA ASP 23 HA ASP 23 -0.357 -14.362 -8.036 759 1HB ASP 23 HBS ASP 23 1.902 -15.860 -8.867 760 2HB ASP 23 HBR ASP 23 2.230 -15.204 -7.238 761 H ALA 24 HN ALA 24 2.941 -13.032 -8.481 762 HA ALA 24 HA ALA 24 3.058 -11.807 -6.017 763 1HB ALA 24 HMB ALA 24 4.836 -12.174 -7.895 764 2HB ALA 24 HMB ALA 24 4.401 -10.511 -8.366 765 3HB ALA 24 HMB ALA 24 5.019 -10.840 -6.727 766 H ARG 25 HN ARG 25 2.006 -10.358 -9.105 767 HA ARG 25 HA ARG 25 1.750 -7.758 -8.163 768 1HB ARG 25 HBR ARG 25 0.095 -7.486 -10.108 769 2HB ARG 25 HBS ARG 25 1.775 -7.976 -10.470 770 1HG ARG 25 HGS ARG 25 0.714 -10.407 -10.356 771 2HG ARG 25 HGR ARG 25 -0.781 -9.510 -10.743 772 1HD ARG 25 HDS ARG 25 1.081 -8.426 -12.455 773 2HD ARG 25 HDR ARG 25 1.523 -10.156 -12.400 774 HE ARG 25 HE ARG 25 -1.270 -9.306 -12.967 775 1HH1 ARG 25 HH1 ARG 25 1.736 -10.775 -14.076 776 2HH1 ARG 25 HH1 ARG 25 0.963 -11.660 -15.349 777 1HH2 ARG 25 HH2 ARG 25 -2.263 -10.568 -14.566 778 2HH2 ARG 25 HH2 ARG 25 -1.300 -11.538 -15.630 779 H ILE 26 HN ILE 26 -0.678 -10.355 -8.259 780 HA ILE 26 HA ILE 26 -2.746 -8.793 -6.948 781 HB ILE 26 HB ILE 26 -2.307 -11.744 -7.546 782 1HG1 ILE 26 HG1 ILE 26 -4.259 -11.478 -8.944 783 2HG1 ILE 26 HG1 ILE 26 -4.534 -9.827 -8.320 784 1HG2 ILE 26 HMG ILE 26 -3.491 -11.282 -5.242 785 2HG2 ILE 26 HMG ILE 26 -4.881 -10.902 -6.293 786 3HG2 ILE 26 HMG ILE 26 -4.107 -12.507 -6.384 787 1HD1 ILE 26 HMD ILE 26 -1.893 -10.336 -9.586 788 2HD1 ILE 26 HMD ILE 26 -3.314 -10.346 -10.663 789 3HD1 ILE 26 HMD ILE 26 -2.960 -8.910 -9.669 790 H THR 27 HN THR 27 -0.021 -10.832 -6.000 791 HA THR 27 HA THR 27 -0.847 -11.263 -3.351 792 HB THR 27 HB THR 27 1.907 -11.436 -4.685 793 HG1 THR 27 HG1 THR 27 1.445 -13.171 -5.017 794 1HG2 THR 27 HMG THR 27 1.574 -11.297 -1.921 795 2HG2 THR 27 HMG THR 27 1.663 -13.040 -2.281 796 3HG2 THR 27 HMG THR 27 2.973 -11.953 -2.810 797 H LEU 28 HN LEU 28 1.414 -8.854 -4.701 798 HA LEU 28 HA LEU 28 1.777 -7.293 -2.335 799 1HB LEU 28 HBR LEU 28 2.805 -7.338 -4.803 800 2HB LEU 28 HBS LEU 28 1.583 -6.063 -5.047 801 HG LEU 28 HG LEU 28 2.627 -4.593 -3.569 802 1HD1 LEU 28 HMD LEU 28 3.804 -7.055 -2.412 803 2HD1 LEU 28 HMD LEU 28 4.877 -5.634 -2.472 804 3HD1 LEU 28 HMD LEU 28 3.309 -5.531 -1.631 805 1HD2 LEU 28 HMD LEU 28 3.787 -5.318 -5.797 806 2HD2 LEU 28 HMD LEU 28 4.632 -4.241 -4.657 807 3HD2 LEU 28 HMD LEU 28 5.038 -5.975 -4.711 808 H ALA 29 HN ALA 29 -0.453 -6.877 -5.105 809 HA ALA 29 HA ALA 29 -1.803 -4.730 -4.147 810 1HB ALA 29 HMB ALA 29 -2.471 -6.906 -6.061 811 2HB ALA 29 HMB ALA 29 -3.799 -5.841 -5.536 812 3HB ALA 29 HMB ALA 29 -2.351 -5.144 -6.304 813 H LYS 30 HN LYS 30 -2.346 -8.087 -3.271 814 HA LYS 30 HA LYS 30 -4.677 -7.518 -1.667 815 1HB LYS 30 HBR LYS 30 -3.732 -9.776 -2.756 816 2HB LYS 30 HBS LYS 30 -3.011 -9.931 -1.128 817 1HG LYS 30 HGR LYS 30 -5.965 -9.623 -1.793 818 2HG LYS 30 HGS LYS 30 -5.146 -11.096 -1.199 819 1HD LYS 30 HDS LYS 30 -5.631 -8.521 0.288 820 2HD LYS 30 HDR LYS 30 -6.339 -10.087 0.581 821 1HE LYS 30 HES LYS 30 -3.408 -10.099 0.659 822 2HE LYS 30 HER LYS 30 -4.200 -9.082 1.897 823 1HZ LYS 30 HZA LYS 30 -5.644 -11.166 2.190 824 2HZ LYS 30 HZB LYS 30 -4.398 -11.957 1.488 825 3HZ LYS 30 HZC LYS 30 -4.159 -11.121 2.871 826 H ILE 31 HN ILE 31 -1.202 -7.767 -1.116 827 HA ILE 31 HA ILE 31 -1.250 -7.601 1.756 828 HB ILE 31 HB ILE 31 0.786 -7.095 -0.439 829 1HG1 ILE 31 HG1 ILE 31 1.225 -8.966 1.842 830 2HG1 ILE 31 HG1 ILE 31 -0.102 -9.356 0.709 831 1HG2 ILE 31 HMG ILE 31 1.324 -6.647 2.507 832 2HG2 ILE 31 HMG ILE 31 2.545 -6.723 1.209 833 3HG2 ILE 31 HMG ILE 31 1.341 -5.409 1.223 834 1HD1 ILE 31 HMD ILE 31 1.807 -8.868 -1.087 835 2HD1 ILE 31 HMD ILE 31 2.852 -9.345 0.278 836 3HD1 ILE 31 HMD ILE 31 1.604 -10.468 -0.323 837 H LEU 32 HN LEU 32 -0.243 -5.082 -0.578 838 HA LEU 32 HA LEU 32 -0.251 -3.054 1.235 839 1HB LEU 32 HBR LEU 32 -0.273 -3.337 -1.703 840 2HB LEU 32 HBS LEU 32 -0.728 -1.721 -1.094 841 HG LEU 32 HG LEU 32 1.548 -2.258 0.336 842 1HD1 LEU 32 HMD LEU 32 1.706 -3.571 -2.375 843 2HD1 LEU 32 HMD LEU 32 3.145 -2.856 -1.608 844 3HD1 LEU 32 HMD LEU 32 2.267 -4.175 -0.796 845 1HD2 LEU 32 HMD LEU 32 0.701 -0.679 -2.010 846 2HD2 LEU 32 HMD LEU 32 1.525 -0.170 -0.515 847 3HD2 LEU 32 HMD LEU 32 2.462 -0.892 -1.847 848 H GLU 33 HN GLU 33 -2.977 -4.120 -0.755 849 HA GLU 33 HA GLU 33 -4.746 -1.973 -0.178 850 1HB GLU 33 HBR GLU 33 -4.971 -3.694 -1.945 851 2HB GLU 33 HBS GLU 33 -5.150 -4.875 -0.766 852 1HG GLU 33 HGS GLU 33 -7.093 -2.857 -0.221 853 2HG GLU 33 HGR GLU 33 -7.311 -3.391 -1.910 854 H GLU 34 HN GLU 34 -4.237 -5.131 1.426 855 HA GLU 34 HA GLU 34 -6.072 -4.884 3.481 856 1HB GLU 34 HBR GLU 34 -4.271 -6.685 2.717 857 2HB GLU 34 HBS GLU 34 -3.319 -5.929 3.875 858 1HG GLU 34 HGS GLU 34 -5.968 -6.530 4.924 859 2HG GLU 34 HGR GLU 34 -5.060 -8.010 4.515 860 H MET 35 HN MET 35 -2.755 -3.594 3.303 861 HA MET 35 HA MET 35 -2.832 -2.304 5.837 862 1HB MET 35 HBS MET 35 -1.166 -1.755 3.362 863 2HB MET 35 HBR MET 35 -0.897 -1.001 4.955 864 1HG MET 35 HGS MET 35 -1.022 -4.029 4.630 865 2HG MET 35 HGR MET 35 0.480 -3.128 4.322 866 1HE MET 35 HME MET 35 -1.482 -4.978 6.325 867 2HE MET 35 HME MET 35 -0.295 -5.189 7.635 868 3HE MET 35 HME MET 35 -1.777 -4.242 7.921 869 H GLY 36 HN GLY 36 -3.609 -1.207 2.544 870 1HA GLY 36 HAR GLY 36 -3.921 1.522 3.176 871 2HA GLY 36 HAS GLY 36 -4.597 0.707 1.741 872 H ARG 37 HN ARG 37 -6.306 -1.126 2.943 873 HA ARG 37 HA ARG 37 -8.599 0.376 3.823 874 1HB ARG 37 HBR ARG 37 -8.051 -2.279 3.051 875 2HB ARG 37 HBS ARG 37 -8.599 -2.363 4.750 876 1HG ARG 37 HGS ARG 37 -10.665 -1.253 4.201 877 2HG ARG 37 HGR ARG 37 -10.108 -0.941 2.534 878 1HD ARG 37 HDS ARG 37 -11.711 -2.872 2.893 879 2HD ARG 37 HDR ARG 37 -10.229 -3.193 1.950 880 HE ARG 37 HE ARG 37 -9.623 -4.725 3.550 881 1HH1 ARG 37 HH1 ARG 37 -12.155 -2.670 4.891 882 2HH1 ARG 37 HH1 ARG 37 -12.132 -3.461 6.431 883 1HH2 ARG 37 HH2 ARG 37 -9.532 -5.650 5.617 884 2HH2 ARG 37 HH2 ARG 37 -10.649 -5.148 6.843 885 H ASP 38 HN ASP 38 -5.840 -1.153 5.375 886 HA ASP 38 HA ASP 38 -6.925 -1.137 7.973 887 1HB ASP 38 HBS ASP 38 -4.419 -1.858 6.721 888 2HB ASP 38 HBR ASP 38 -4.178 -1.109 8.326 889 H ILE 39 HN ILE 39 -4.749 1.168 6.357 890 HA ILE 39 HA ILE 39 -4.439 2.820 8.727 891 HB ILE 39 HB ILE 39 -3.811 3.502 5.815 892 1HG1 ILE 39 HG1 ILE 39 -1.771 2.402 7.746 893 2HG1 ILE 39 HG1 ILE 39 -2.865 1.293 6.872 894 1HG2 ILE 39 HMG ILE 39 -3.768 5.189 7.914 895 2HG2 ILE 39 HMG ILE 39 -2.119 4.517 8.017 896 3HG2 ILE 39 HMG ILE 39 -2.668 5.306 6.515 897 1HD1 ILE 39 HMD ILE 39 -1.337 3.356 5.325 898 2HD1 ILE 39 HMD ILE 39 -0.494 1.896 5.909 899 3HD1 ILE 39 HMD ILE 39 -1.906 1.740 4.829 900 H ALA 40 HN ALA 40 -6.672 2.538 6.078 901 HA ALA 40 HA ALA 40 -7.956 5.085 6.259 902 1HB ALA 40 HMB ALA 40 -8.258 3.323 4.475 903 2HB ALA 40 HMB ALA 40 -9.278 2.438 5.636 904 3HB ALA 40 HMB ALA 40 -9.748 4.072 5.102 905 H SER 41 HN SER 41 -8.655 1.928 7.807 906 HA SER 41 HA SER 41 -10.934 2.974 9.169 907 1HB SER 41 HBS SER 41 -10.871 0.737 10.355 908 2HB SER 41 HBR SER 41 -11.029 0.708 8.575 909 HG SER 41 HG SER 41 -9.045 0.023 8.257 910 H GLU 42 HN GLU 42 -7.585 2.366 10.099 911 HA GLU 42 HA GLU 42 -7.811 3.099 12.887 912 1HB GLU 42 HBR GLU 42 -5.665 3.035 10.780 913 2HB GLU 42 HBS GLU 42 -5.410 3.872 12.212 914 1HG GLU 42 HGS GLU 42 -4.623 1.425 12.119 915 2HG GLU 42 HGR GLU 42 -5.374 1.999 13.633 916 H ALA 43 HN ALA 43 -7.332 4.824 9.809 917 HA ALA 43 HA ALA 43 -7.246 7.409 11.038 918 1HB ALA 43 HMB ALA 43 -7.590 6.435 8.201 919 2HB ALA 43 HMB ALA 43 -7.587 8.163 8.635 920 3HB ALA 43 HMB ALA 43 -6.156 7.156 8.974 921 H ILE 44 HN ILE 44 -9.804 5.273 10.240 922 HA ILE 44 HA ILE 44 -11.732 7.325 9.795 923 HB ILE 44 HB ILE 44 -11.487 4.687 9.135 924 1HG1 ILE 44 HG1 ILE 44 -14.255 5.403 8.850 925 2HG1 ILE 44 HG1 ILE 44 -13.247 6.872 8.691 926 1HG2 ILE 44 HMG ILE 44 -13.276 4.668 11.505 927 2HG2 ILE 44 HMG ILE 44 -13.808 3.780 10.054 928 3HG2 ILE 44 HMG ILE 44 -12.237 3.399 10.804 929 1HD1 ILE 44 HMD ILE 44 -11.998 4.769 7.223 930 2HD1 ILE 44 HMD ILE 44 -13.722 4.815 6.772 931 3HD1 ILE 44 HMD ILE 44 -12.718 6.282 6.614 932 H LYS 45 HN LYS 45 -11.588 4.887 12.432 933 HA LYS 45 HA LYS 45 -13.139 6.289 14.307 934 1HB LYS 45 HBR LYS 45 -12.394 3.959 14.598 935 2HB LYS 45 HBS LYS 45 -10.723 4.535 14.857 936 1HG LYS 45 HGR LYS 45 -11.583 4.130 17.022 937 2HG LYS 45 HGS LYS 45 -11.662 5.902 16.810 938 1HD LYS 45 HDS LYS 45 -13.949 5.934 16.594 939 2HD LYS 45 HDR LYS 45 -14.033 4.273 16.077 940 1HE LYS 45 HES LYS 45 -12.967 4.181 18.674 941 2HE LYS 45 HER LYS 45 -14.309 5.360 18.701 942 1HZ LYS 45 HZC LYS 45 -15.657 3.648 17.613 943 2HZ LYS 45 HZA LYS 45 -14.436 2.575 17.773 944 3HZ LYS 45 HZB LYS 45 -15.153 3.200 19.101 945 H LEU 46 HN LEU 46 -9.790 6.703 13.314 946 HA LEU 46 HA LEU 46 -8.944 8.565 15.249 947 1HB LEU 46 HBR LEU 46 -8.254 7.756 12.488 948 2HB LEU 46 HBS LEU 46 -7.731 9.397 12.966 949 HG LEU 46 HG LEU 46 -7.071 6.936 14.587 950 1HD1 LEU 46 HMD LEU 46 -5.882 7.971 12.069 951 2HD1 LEU 46 HMD LEU 46 -4.741 7.585 13.383 952 3HD1 LEU 46 HMD LEU 46 -5.852 6.333 12.772 953 1HD2 LEU 46 HMD LEU 46 -6.523 9.838 14.632 954 2HD2 LEU 46 HMD LEU 46 -6.525 8.644 15.955 955 3HD2 LEU 46 HMD LEU 46 -5.100 8.799 14.896 956 H ALA 47 HN ALA 47 -10.853 8.988 12.279 957 HA ALA 47 HA ALA 47 -10.842 11.830 12.374 958 1HB ALA 47 HMB ALA 47 -11.599 9.859 10.579 959 2HB ALA 47 HMB ALA 47 -13.132 10.661 11.002 960 3HB ALA 47 HMB ALA 47 -11.770 11.620 10.367 961 H ARG 48 HN ARG 48 -13.068 9.368 13.605 962 HA ARG 48 HA ARG 48 -15.057 11.180 14.643 963 1HB ARG 48 HBR ARG 48 -14.245 8.358 15.391 964 2HB ARG 48 HBS ARG 48 -15.556 9.264 16.203 965 1HG ARG 48 HGS ARG 48 -16.851 8.205 14.686 966 2HG ARG 48 HGR ARG 48 -16.318 9.535 13.618 967 1HD ARG 48 HDS ARG 48 -15.288 8.126 12.279 968 2HD ARG 48 HDR ARG 48 -14.365 7.432 13.641 969 HE ARG 48 HE ARG 48 -16.137 5.822 13.953 970 1HH1 ARG 48 HH1 ARG 48 -16.694 7.918 11.173 971 2HH1 ARG 48 HH1 ARG 48 -17.661 6.745 10.345 972 1HH2 ARG 48 HH2 ARG 48 -17.299 4.266 12.781 973 2HH2 ARG 48 HH2 ARG 48 -18.005 4.679 11.255 974 H HIS 49 HN HIS 49 -12.231 9.503 16.068 975 HA HIS 49 HA HIS 49 -12.318 10.686 18.575 976 1HB HIS 49 HBS HIS 49 -10.653 8.860 17.530 977 2HB HIS 49 HBR HIS 49 -9.590 10.290 17.393 978 HD1 HIS 49 HD1 HIS 49 -10.256 7.642 19.710 979 HD2 HIS 49 HD2 HIS 49 -9.676 11.752 20.066 980 HE1 HIS 49 HE1 HIS 49 -9.462 8.044 22.054 981 HE2 HIS 49 HE2 HIS 49 -9.087 10.526 22.268 982 H ALA 50 HN ALA 50 -10.809 11.895 15.596 983 HA ALA 50 HA ALA 50 -9.715 14.265 16.570 984 1HB ALA 50 HMB ALA 50 -11.085 13.759 13.914 985 2HB ALA 50 HMB ALA 50 -10.008 15.128 14.291 986 3HB ALA 50 HMB ALA 50 -9.372 13.463 14.306 987 H GLY 51 HN GLY 51 -13.049 13.625 15.463 988 1HA GLY 51 HAR GLY 51 -14.793 14.849 16.746 989 2HA GLY 51 HAS GLY 51 -13.846 16.333 16.458 990 H ARG 52 HN ARG 52 -13.947 13.951 13.938 991 HA ARG 52 HA ARG 52 -15.126 13.686 11.997 992 1HB ARG 52 HBR ARG 52 -17.055 14.455 13.981 993 2HB ARG 52 HBS ARG 52 -17.476 15.221 12.422 994 1HG ARG 52 HGS ARG 52 -17.080 12.261 12.963 995 2HG ARG 52 HGR ARG 52 -18.619 13.100 12.616 996 1HD ARG 52 HDS ARG 52 -16.250 12.893 10.755 997 2HD ARG 52 HDR ARG 52 -17.738 11.909 10.671 998 HE ARG 52 HE ARG 52 -18.748 14.402 10.543 999 1HH1 ARG 52 HH1 ARG 52 -16.258 12.713 8.706 1000 2HH1 ARG 52 HH1 ARG 52 -16.384 13.777 7.347 1001 1HH2 ARG 52 HH2 ARG 52 -18.793 15.850 8.799 1002 2HH2 ARG 52 HH2 ARG 52 -17.820 15.552 7.398 1003 H LYS 53 HN LYS 53 -13.944 14.777 10.550 1004 HA LYS 53 HA LYS 53 -15.312 16.848 9.206 1005 1HB LYS 53 HBR LYS 53 -13.925 18.031 11.187 1006 2HB LYS 53 HBS LYS 53 -12.639 17.924 9.952 1007 1HG LYS 53 HGR LYS 53 -15.279 18.967 9.040 1008 2HG LYS 53 HGS LYS 53 -14.346 20.009 10.150 1009 1HD LYS 53 HDS LYS 53 -12.465 20.031 8.689 1010 2HD LYS 53 HDR LYS 53 -13.164 18.801 7.672 1011 1HE LYS 53 HES LYS 53 -14.571 20.219 6.605 1012 2HE LYS 53 HER LYS 53 -14.737 21.279 8.032 1013 1HZ LYS 53 HZB LYS 53 -12.169 21.551 7.383 1014 2HZ LYS 53 HZC LYS 53 -12.840 21.387 5.903 1015 3HZ LYS 53 HZA LYS 53 -13.355 22.568 6.907 1016 H THR 54 HN THR 54 -15.036 15.142 7.705 1017 HA THR 54 HA THR 54 -14.026 13.766 6.190 1018 HB THR 54 HB THR 54 -13.647 16.130 5.247 1019 HG1 THR 54 HG1 THR 54 -13.493 14.847 3.993 1020 1HG2 THR 54 HMG THR 54 -11.104 15.823 6.698 1021 2HG2 THR 54 HMG THR 54 -10.934 16.296 4.988 1022 3HG2 THR 54 HMG THR 54 -11.923 17.287 6.091 1023 H ILE 55 HN ILE 55 -11.627 13.102 5.380 1024 HA ILE 55 HA ILE 55 -10.057 12.460 7.832 1025 HB ILE 55 HB ILE 55 -10.357 10.844 5.254 1026 1HG1 ILE 55 HG1 ILE 55 -11.236 10.393 8.125 1027 2HG1 ILE 55 HG1 ILE 55 -12.257 10.563 6.668 1028 1HG2 ILE 55 HMG ILE 55 -8.065 10.989 6.769 1029 2HG2 ILE 55 HMG ILE 55 -8.901 9.563 7.440 1030 3HG2 ILE 55 HMG ILE 55 -8.536 9.645 5.696 1031 1HD1 ILE 55 HMD ILE 55 -11.080 8.418 5.849 1032 2HD1 ILE 55 HMD ILE 55 -10.573 8.222 7.548 1033 3HD1 ILE 55 HMD ILE 55 -12.308 8.276 7.136 1034 H LYS 56 HN LYS 56 -7.954 12.973 7.850 1035 HA LYS 56 HA LYS 56 -6.957 14.581 5.544 1036 1HB LYS 56 HBR LYS 56 -7.979 15.631 7.877 1037 2HB LYS 56 HBS LYS 56 -6.228 15.548 8.221 1038 1HG LYS 56 HGR LYS 56 -6.256 16.613 5.684 1039 2HG LYS 56 HGS LYS 56 -7.733 17.321 6.398 1040 1HD LYS 56 HDS LYS 56 -5.995 17.695 8.427 1041 2HD LYS 56 HDR LYS 56 -4.889 17.732 7.082 1042 1HE LYS 56 HES LYS 56 -7.039 19.326 6.268 1043 2HE LYS 56 HER LYS 56 -6.726 19.739 7.976 1044 1HZ LYS 56 HZC LYS 56 -4.672 19.664 5.874 1045 2HZ LYS 56 HZA LYS 56 -5.401 21.024 6.412 1046 3HZ LYS 56 HZB LYS 56 -4.463 20.147 7.421 1047 H ALA 57 HN ALA 57 -4.617 15.301 6.076 1048 HA ALA 57 HA ALA 57 -3.061 13.024 5.897 1049 1HB ALA 57 HMB ALA 57 -2.668 15.653 5.441 1050 2HB ALA 57 HMB ALA 57 -1.683 15.442 6.910 1051 3HB ALA 57 HMB ALA 57 -1.364 14.440 5.472 1052 H GLU 58 HN GLU 58 -3.413 15.199 8.716 1053 HA GLU 58 HA GLU 58 -1.693 13.817 10.434 1054 1HB GLU 58 HBR GLU 58 -4.002 15.692 10.694 1055 2HB GLU 58 HBS GLU 58 -3.557 14.830 12.064 1056 1HG GLU 58 HGS GLU 58 -1.670 16.568 10.502 1057 2HG GLU 58 HGR GLU 58 -2.351 17.013 12.090 1058 H ASP 59 HN ASP 59 -5.072 13.233 9.608 1059 HA ASP 59 HA ASP 59 -5.457 11.181 11.556 1060 1HB ASP 59 HBS ASP 59 -7.022 12.489 9.547 1061 2HB ASP 59 HBR ASP 59 -7.238 10.718 9.440 1062 H ILE 60 HN ILE 60 -4.713 11.081 8.069 1063 HA ILE 60 HA ILE 60 -4.382 8.319 7.839 1064 HB ILE 60 HB ILE 60 -2.959 10.591 6.371 1065 1HG1 ILE 60 HG1 ILE 60 -5.310 10.813 6.144 1066 2HG1 ILE 60 HG1 ILE 60 -4.706 10.106 4.618 1067 1HG2 ILE 60 HMG ILE 60 -1.719 8.513 6.071 1068 2HG2 ILE 60 HMG ILE 60 -3.211 7.689 5.546 1069 3HG2 ILE 60 HMG ILE 60 -2.529 9.012 4.563 1070 1HD1 ILE 60 HMD ILE 60 -5.367 7.903 6.202 1071 2HD1 ILE 60 HMD ILE 60 -6.670 9.085 6.498 1072 3HD1 ILE 60 HMD ILE 60 -6.298 8.565 4.832 1073 H GLU 61 HN GLU 61 -2.118 10.796 8.972 1074 HA GLU 61 HA GLU 61 0.154 9.018 8.936 1075 1HB GLU 61 HBR GLU 61 -0.495 11.817 9.750 1076 2HB GLU 61 HBS GLU 61 0.842 11.095 10.463 1077 1HG GLU 61 HGS GLU 61 2.072 10.796 8.550 1078 2HG GLU 61 HGR GLU 61 0.681 10.953 7.443 1079 H LEU 62 HN LEU 62 -2.107 10.227 11.385 1080 HA LEU 62 HA LEU 62 -0.917 8.968 13.674 1081 1HB LEU 62 HBR LEU 62 -3.712 9.855 12.928 1082 2HB LEU 62 HBS LEU 62 -3.300 9.146 14.515 1083 HG LEU 62 HG LEU 62 -2.254 11.739 13.350 1084 1HD1 LEU 62 HMD LEU 62 -4.220 11.024 15.532 1085 2HD1 LEU 62 HMD LEU 62 -3.386 12.597 15.483 1086 3HD1 LEU 62 HMD LEU 62 -4.446 12.109 14.137 1087 1HD2 LEU 62 HMD LEU 62 -0.590 10.438 14.663 1088 2HD2 LEU 62 HMD LEU 62 -1.060 11.968 15.446 1089 3HD2 LEU 62 HMD LEU 62 -1.729 10.425 16.035 1090 H ALA 63 HN ALA 63 -3.446 7.964 11.350 1091 HA ALA 63 HA ALA 63 -3.866 5.403 12.300 1092 1HB ALA 63 HMB ALA 63 -3.912 6.402 9.440 1093 2HB ALA 63 HMB ALA 63 -4.610 4.862 10.005 1094 3HB ALA 63 HMB ALA 63 -5.256 6.409 10.610 1095 H VAL 64 HN VAL 64 -1.557 6.382 9.737 1096 HA VAL 64 HA VAL 64 -0.617 3.756 9.471 1097 HB VAL 64 HB VAL 64 -0.582 6.078 8.046 1098 1HG1 VAL 64 HMG VAL 64 1.929 6.194 9.281 1099 2HG1 VAL 64 HMG VAL 64 2.241 5.582 7.641 1100 3HG1 VAL 64 HMG VAL 64 1.355 7.108 7.867 1101 1HG2 VAL 64 HMG VAL 64 0.015 3.305 7.650 1102 2HG2 VAL 64 HMG VAL 64 -0.649 4.515 6.525 1103 3HG2 VAL 64 HMG VAL 64 1.113 4.299 6.661 1104 H ARG 65 HN ARG 65 1.118 6.581 10.840 1105 HA ARG 65 HA ARG 65 3.223 5.254 11.939 1106 1HB ARG 65 HBR ARG 65 1.721 7.658 13.000 1107 2HB ARG 65 HBS ARG 65 3.229 7.050 13.741 1108 1HG ARG 65 HGS ARG 65 4.191 7.268 11.321 1109 2HG ARG 65 HGR ARG 65 2.800 8.360 11.064 1110 1HD ARG 65 HDS ARG 65 4.741 9.622 11.711 1111 2HD ARG 65 HDR ARG 65 3.504 9.684 12.998 1112 HE ARG 65 HE ARG 65 6.043 8.144 13.091 1113 1HH1 ARG 65 HH1 ARG 65 3.063 9.148 14.685 1114 2HH1 ARG 65 HH1 ARG 65 3.706 8.914 16.277 1115 1HH2 ARG 65 HH2 ARG 65 6.889 7.968 15.187 1116 2HH2 ARG 65 HH2 ARG 65 5.869 8.240 16.561 1117 H ARG 66 HN ARG 66 -0.069 5.231 13.078 1118 HA ARG 66 HA ARG 66 0.411 4.311 15.778 1119 1HB ARG 66 HBR ARG 66 -1.729 5.293 15.144 1120 2HB ARG 66 HBS ARG 66 -1.998 3.984 13.958 1121 1HG ARG 66 HGS ARG 66 -1.562 3.311 16.856 1122 2HG ARG 66 HGR ARG 66 -3.155 3.908 16.310 1123 1HD ARG 66 HDS ARG 66 -2.194 1.930 14.484 1124 2HD ARG 66 HDR ARG 66 -2.099 1.300 16.151 1125 HE ARG 66 HE ARG 66 -4.619 2.560 15.256 1126 1HH1 ARG 66 HH1 ARG 66 -2.827 -0.423 15.817 1127 2HH1 ARG 66 HH1 ARG 66 -4.256 -1.352 16.122 1128 1HH2 ARG 66 HH2 ARG 66 -6.455 1.343 15.788 1129 2HH2 ARG 66 HH2 ARG 66 -6.310 -0.355 16.102 1130 H PHE 67 HN PHE 67 -0.317 2.752 12.645 1131 HA PHE 67 HA PHE 67 -0.107 0.089 13.476 1132 1HB PHE 67 HBR PHE 67 0.440 1.411 10.807 1133 2HB PHE 67 HBS PHE 67 0.778 -0.325 11.063 1134 HD1 PHE 67 HD2 PHE 67 -1.568 -1.049 12.852 1135 HD2 PHE 67 HD1 PHE 67 -1.281 1.354 9.344 1136 HE1 PHE 67 HE2 PHE 67 -3.974 -1.416 12.410 1137 HE2 PHE 67 HE1 PHE 67 -3.667 1.007 8.888 1138 HZ PHE 67 HZ PHE 67 -4.990 -0.466 10.359 1139 H LYS 68 HN LYS 68 2.453 2.147 12.038 1140 HA LYS 68 HA LYS 68 4.408 0.132 12.025 1141 1HB LYS 68 HBR LYS 68 4.380 3.083 11.691 1142 2HB LYS 68 HBS LYS 68 5.944 2.351 12.154 1143 1HG LYS 68 HGR LYS 68 5.772 2.564 9.722 1144 2HG LYS 68 HGS LYS 68 5.810 0.844 10.204 1145 1HD LYS 68 HDS LYS 68 3.102 1.536 10.164 1146 2HD LYS 68 HDR LYS 68 3.788 2.348 8.783 1147 1HE LYS 68 HES LYS 68 2.996 0.187 8.110 1148 2HE LYS 68 HER LYS 68 4.778 0.253 8.004 1149 1HZ LYS 68 HZC LYS 68 3.807 -0.670 10.516 1150 2HZ LYS 68 HZA LYS 68 3.374 -1.637 9.274 1151 3HZ LYS 68 HZB LYS 68 4.951 -1.307 9.541 1152 H LYS 69 HN LYS 69 4.416 -0.904 14.024 1153 HA LYS 69 HA LYS 69 5.062 -1.340 16.182 1154 1HB LYS 69 HBR LYS 69 7.205 -0.164 15.462 1155 2HB LYS 69 HBS LYS 69 6.527 1.308 16.214 1156 1HG LYS 69 HGR LYS 69 7.975 0.306 17.827 1157 2HG LYS 69 HGS LYS 69 6.301 -0.018 18.360 1158 1HD LYS 69 HDS LYS 69 6.403 -2.247 17.885 1159 2HD LYS 69 HDR LYS 69 7.614 -2.043 16.650 1160 1HE LYS 69 HES LYS 69 8.284 -1.544 19.531 1161 2HE LYS 69 HER LYS 69 8.291 -3.184 18.822 1162 1HZ LYS 69 HZC LYS 69 9.816 -0.915 17.745 1163 2HZ LYS 69 HZA LYS 69 10.440 -2.049 18.741 1164 3HZ LYS 69 HZB LYS 69 9.900 -2.473 17.259 No H/Q in entry = 1164 Start of MODEL 25 Raw file had 1198 H/Q atoms Start of MODEL 25 1 1H MET 1 HN MET 1 -1.551 5.412 -12.642 2 2H MET 1 HNC MET 1 -1.417 6.504 -13.848 3 3H MET 1 HNB MET 1 -1.199 4.916 -14.158 4 HA MET 1 HA MET 1 0.861 4.839 -13.466 5 1HB MET 1 HBS MET 1 0.609 7.852 -13.710 6 2HB MET 1 HBR MET 1 2.071 6.854 -13.952 7 1HG MET 1 HGS MET 1 0.980 5.742 -15.887 8 2HG MET 1 HGR MET 1 -0.468 6.746 -15.628 9 1HE MET 1 HME MET 1 3.287 6.741 -15.824 10 2HE MET 1 HME MET 1 3.760 8.168 -16.779 11 3HE MET 1 HME MET 1 3.324 8.350 -15.062 12 H GLU 2 HN GLU 2 -1.141 7.076 -11.635 13 HA GLU 2 HA GLU 2 0.627 6.671 -9.257 14 1HB GLU 2 HBS GLU 2 -0.548 8.984 -10.640 15 2HB GLU 2 HBR GLU 2 -0.569 9.112 -8.967 16 1HG GLU 2 HGS GLU 2 2.005 8.174 -10.062 17 2HG GLU 2 HGR GLU 2 1.585 9.788 -10.697 18 H LEU 3 HN LEU 3 -0.368 5.837 -7.569 19 HA LEU 3 HA LEU 3 -2.672 4.862 -7.424 20 1HB LEU 3 HBS LEU 3 -0.807 5.850 -5.393 21 2HB LEU 3 HBR LEU 3 -2.419 5.331 -4.797 22 HG LEU 3 HG LEU 3 -2.038 3.273 -6.251 23 1HD1 LEU 3 HMD LEU 3 0.509 4.697 -6.474 24 2HD1 LEU 3 HMD LEU 3 0.657 2.947 -6.170 25 3HD1 LEU 3 HMD LEU 3 -0.288 3.532 -7.563 26 1HD2 LEU 3 HMD LEU 3 -1.277 3.885 -3.550 27 2HD2 LEU 3 HMD LEU 3 -1.722 2.299 -4.226 28 3HD2 LEU 3 HMD LEU 3 -0.021 2.822 -4.229 29 HA PRO 4 HA PRO 4 -5.339 8.437 -7.644 30 1HB PRO 4 HBR PRO 4 -7.458 6.937 -8.504 31 2HB PRO 4 HBS PRO 4 -6.495 7.895 -9.424 32 1HG PRO 4 HGS PRO 4 -6.594 5.191 -9.457 33 2HG PRO 4 HGR PRO 4 -5.554 6.160 -10.330 34 1HD PRO 4 HDR PRO 4 -4.990 4.632 -8.073 35 2HD PRO 4 HDS PRO 4 -3.924 5.401 -9.076 36 H ILE 5 HN ILE 5 -6.956 9.469 -6.576 37 HA ILE 5 HA ILE 5 -7.241 8.299 -3.899 38 HB ILE 5 HB ILE 5 -8.050 10.494 -3.218 39 1HG1 ILE 5 HG1 ILE 5 -9.285 10.842 -5.448 40 2HG1 ILE 5 HG1 ILE 5 -8.619 12.267 -4.604 41 1HG2 ILE 5 HMG ILE 5 -5.568 10.577 -4.932 42 2HG2 ILE 5 HMG ILE 5 -6.084 11.923 -3.880 43 3HG2 ILE 5 HMG ILE 5 -5.706 10.330 -3.171 44 1HD1 ILE 5 HMD ILE 5 -6.558 11.820 -6.212 45 2HD1 ILE 5 HMD ILE 5 -7.813 11.020 -7.197 46 3HD1 ILE 5 HMD ILE 5 -7.992 12.737 -6.746 47 H ALA 6 HN ALA 6 -9.024 8.436 -6.792 48 HA ALA 6 HA ALA 6 -11.653 8.275 -5.678 49 1HB ALA 6 HMB ALA 6 -10.367 7.787 -8.318 50 2HB ALA 6 HMB ALA 6 -11.940 7.007 -8.013 51 3HB ALA 6 HMB ALA 6 -11.785 8.778 -7.889 52 HA PRO 7 HA PRO 7 -10.993 3.499 -6.132 53 1HB PRO 7 HBS PRO 7 -8.426 2.780 -6.468 54 2HB PRO 7 HBR PRO 7 -9.579 2.713 -7.635 55 1HG PRO 7 HGR PRO 7 -7.478 4.540 -7.354 56 2HG PRO 7 HGS PRO 7 -8.379 4.180 -8.710 57 1HD PRO 7 HDS PRO 7 -8.634 6.406 -7.225 58 2HD PRO 7 HDR PRO 7 -9.721 5.880 -8.354 59 H ILE 8 HN ILE 8 -8.020 4.803 -4.871 60 HA ILE 8 HA ILE 8 -8.002 3.403 -2.473 61 HB ILE 8 HB ILE 8 -6.996 6.225 -3.081 62 1HG1 ILE 8 HG1 ILE 8 -5.737 3.468 -3.251 63 2HG1 ILE 8 HG1 ILE 8 -6.044 4.625 -4.576 64 1HG2 ILE 8 HMG ILE 8 -7.231 5.767 -0.632 65 2HG2 ILE 8 HMG ILE 8 -6.064 4.433 -0.834 66 3HG2 ILE 8 HMG ILE 8 -5.569 6.110 -1.181 67 1HD1 ILE 8 HMD ILE 8 -4.243 5.470 -2.343 68 2HD1 ILE 8 HMD ILE 8 -3.629 4.297 -3.539 69 3HD1 ILE 8 HMD ILE 8 -4.208 5.897 -4.074 70 H GLY 9 HN GLY 9 -9.406 6.637 -3.096 71 1HA GLY 9 HAR GLY 9 -10.294 7.177 -0.567 72 2HA GLY 9 HAS GLY 9 -11.090 7.806 -2.033 73 H ARG 10 HN ARG 10 -11.859 5.159 -3.011 74 HA ARG 10 HA ARG 10 -14.327 4.978 -1.517 75 1HB ARG 10 HBR ARG 10 -15.121 3.580 -3.278 76 2HB ARG 10 HBS ARG 10 -14.214 4.940 -3.999 77 1HG ARG 10 HGS ARG 10 -12.546 3.586 -4.803 78 2HG ARG 10 HGR ARG 10 -12.776 2.353 -3.530 79 1HD ARG 10 HDS ARG 10 -15.138 2.640 -5.165 80 2HD ARG 10 HDR ARG 10 -13.695 2.285 -6.157 81 HE ARG 10 HE ARG 10 -13.597 0.170 -5.216 82 1HH1 ARG 10 HH1 ARG 10 -16.084 2.085 -3.612 83 2HH1 ARG 10 HH1 ARG 10 -16.601 0.772 -2.608 84 1HH2 ARG 10 HH2 ARG 10 -14.215 -1.486 -3.796 85 2HH2 ARG 10 HH2 ARG 10 -15.544 -1.248 -2.712 86 H ILE 11 HN ILE 11 -11.384 3.118 -1.737 87 HA ILE 11 HA ILE 11 -12.253 0.840 -0.258 88 HB ILE 11 HB ILE 11 -9.529 2.216 -0.434 89 1HG1 ILE 11 HG1 ILE 11 -10.805 -0.107 -1.915 90 2HG1 ILE 11 HG1 ILE 11 -10.282 1.468 -2.576 91 1HG2 ILE 11 HMG ILE 11 -10.200 0.450 1.525 92 2HG2 ILE 11 HMG ILE 11 -9.588 -0.641 0.253 93 3HG2 ILE 11 HMG ILE 11 -8.558 0.680 0.866 94 1HD1 ILE 11 HMD ILE 11 -7.927 0.614 -1.626 95 2HD1 ILE 11 HMD ILE 11 -8.697 -0.967 -1.926 96 3HD1 ILE 11 HMD ILE 11 -8.519 0.206 -3.258 97 H ILE 12 HN ILE 12 -11.026 4.039 0.724 98 HA ILE 12 HA ILE 12 -10.883 3.449 3.539 99 HB ILE 12 HB ILE 12 -11.233 6.193 2.250 100 1HG1 ILE 12 HG1 ILE 12 -9.513 5.075 0.998 101 2HG1 ILE 12 HG1 ILE 12 -8.754 6.282 2.072 102 1HG2 ILE 12 HMG ILE 12 -11.333 5.920 4.770 103 2HG2 ILE 12 HMG ILE 12 -9.606 5.483 4.687 104 3HG2 ILE 12 HMG ILE 12 -10.147 7.089 4.131 105 1HD1 ILE 12 HMD ILE 12 -8.886 3.297 2.594 106 2HD1 ILE 12 HMD ILE 12 -7.473 4.184 1.962 107 3HD1 ILE 12 HMD ILE 12 -8.074 4.519 3.608 108 H LYS 13 HN LYS 13 -13.336 4.829 1.372 109 HA LYS 13 HA LYS 13 -15.235 5.518 3.461 110 1HB LYS 13 HBS LYS 13 -15.108 6.323 0.962 111 2HB LYS 13 HBR LYS 13 -16.037 4.830 0.649 112 1HG LYS 13 HGR LYS 13 -17.939 5.686 1.515 113 2HG LYS 13 HGS LYS 13 -17.083 6.472 2.873 114 1HD LYS 13 HDS LYS 13 -17.956 8.252 1.709 115 2HD LYS 13 HDR LYS 13 -16.279 8.186 1.242 116 1HE LYS 13 HES LYS 13 -18.007 8.601 -0.591 117 2HE LYS 13 HER LYS 13 -16.716 7.401 -0.879 118 1HZ LYS 13 HZA LYS 13 -19.215 6.475 0.256 119 2HZ LYS 13 HZB LYS 13 -19.201 6.857 -1.331 120 3HZ LYS 13 HZC LYS 13 -18.184 5.714 -0.757 121 H ASP 14 HN ASP 14 -14.595 2.748 1.320 122 HA ASP 14 HA ASP 14 -16.644 1.138 2.062 123 1HB ASP 14 HBS ASP 14 -14.933 0.710 0.303 124 2HB ASP 14 HBR ASP 14 -13.852 0.112 1.594 125 H ALA 15 HN ALA 15 -13.618 1.631 3.816 126 HA ALA 15 HA ALA 15 -14.114 0.025 6.068 127 1HB ALA 15 HMB ALA 15 -12.400 2.233 5.329 128 2HB ALA 15 HMB ALA 15 -12.979 2.407 7.006 129 3HB ALA 15 HMB ALA 15 -12.135 0.920 6.505 130 H GLY 16 HN GLY 16 -15.180 3.346 5.322 131 1HA GLY 16 HAR GLY 16 -17.506 3.764 6.113 132 2HA GLY 16 HAS GLY 16 -16.945 3.286 7.738 133 H ALA 17 HN ALA 17 -14.630 4.977 5.843 134 HA ALA 17 HA ALA 17 -14.502 7.296 7.385 135 1HB ALA 17 HMB ALA 17 -13.061 6.240 5.344 136 2HB ALA 17 HMB ALA 17 -13.840 7.619 4.526 137 3HB ALA 17 HMB ALA 17 -12.854 7.891 5.986 138 H GLU 18 HN GLU 18 -14.826 9.552 6.502 139 HA GLU 18 HA GLU 18 -17.263 9.779 4.804 140 1HB GLU 18 HBR GLU 18 -16.597 11.022 7.434 141 2HB GLU 18 HBS GLU 18 -17.240 12.028 6.254 142 1HG GLU 18 HGS GLU 18 -19.307 11.343 6.453 143 2HG GLU 18 HGR GLU 18 -18.880 9.617 6.303 144 H ARG 19 HN ARG 19 -14.573 11.663 6.261 145 HA ARG 19 HA ARG 19 -14.260 13.066 3.647 146 1HB ARG 19 HBR ARG 19 -13.972 14.235 6.435 147 2HB ARG 19 HBS ARG 19 -13.742 15.091 4.883 148 1HG ARG 19 HGS ARG 19 -16.370 13.799 5.144 149 2HG ARG 19 HGR ARG 19 -16.056 15.051 6.379 150 1HD ARG 19 HDS ARG 19 -15.309 16.535 4.475 151 2HD ARG 19 HDR ARG 19 -16.013 15.311 3.381 152 HE ARG 19 HE ARG 19 -18.098 16.126 3.903 153 1HH1 ARG 19 HH1 ARG 19 -15.972 16.840 6.624 154 2HH1 ARG 19 HH1 ARG 19 -17.111 17.905 7.375 155 1HH2 ARG 19 HH2 ARG 19 -19.511 17.624 4.850 156 2HH2 ARG 19 HH2 ARG 19 -19.116 18.348 6.374 157 H VAL 20 HN VAL 20 -12.465 12.247 2.817 158 HA VAL 20 HA VAL 20 -10.005 12.507 4.466 159 HB VAL 20 HB VAL 20 -10.452 10.671 2.102 160 1HG1 VAL 20 HMG VAL 20 -8.091 11.741 2.624 161 2HG1 VAL 20 HMG VAL 20 -8.050 10.463 3.862 162 3HG1 VAL 20 HMG VAL 20 -8.262 10.035 2.148 163 1HG2 VAL 20 HMG VAL 20 -11.615 9.867 4.078 164 2HG2 VAL 20 HMG VAL 20 -10.214 8.836 3.700 165 3HG2 VAL 20 HMG VAL 20 -10.121 10.009 5.036 166 H SER 21 HN SER 21 -9.128 14.372 4.053 167 HA SER 21 HA SER 21 -9.779 15.960 1.720 168 1HB SER 21 HBS SER 21 -8.695 16.448 4.251 169 2HB SER 21 HBR SER 21 -7.383 16.816 3.096 170 HG SER 21 HG SER 21 -8.271 18.585 2.643 171 H ASP 22 HN ASP 22 -7.953 16.909 0.415 172 HA ASP 22 HA ASP 22 -7.075 14.801 -1.195 173 1HB ASP 22 HBR ASP 22 -5.834 17.518 -1.402 174 2HB ASP 22 HBS ASP 22 -6.283 16.353 -2.681 175 H ASP 23 HN ASP 23 -5.470 16.473 1.411 176 HA ASP 23 HA ASP 23 -2.879 15.453 1.038 177 1HB ASP 23 HBS ASP 23 -4.115 17.053 2.892 178 2HB ASP 23 HBR ASP 23 -3.664 15.603 3.836 179 H ALA 24 HN ALA 24 -5.368 14.137 3.256 180 HA ALA 24 HA ALA 24 -3.899 11.919 3.964 181 1HB ALA 24 HMB ALA 24 -6.832 12.546 3.986 182 2HB ALA 24 HMB ALA 24 -6.263 10.927 4.466 183 3HB ALA 24 HMB ALA 24 -5.686 12.369 5.339 184 H ARG 25 HN ARG 25 -6.368 12.149 1.397 185 HA ARG 25 HA ARG 25 -6.349 9.530 0.547 186 1HB ARG 25 HBR ARG 25 -6.588 11.988 -1.220 187 2HB ARG 25 HBS ARG 25 -7.100 10.328 -1.639 188 1HG ARG 25 HGS ARG 25 -8.713 10.414 0.270 189 2HG ARG 25 HGR ARG 25 -8.269 12.129 0.508 190 1HD ARG 25 HDS ARG 25 -9.370 10.946 -2.042 191 2HD ARG 25 HDR ARG 25 -10.329 11.809 -0.806 192 HE ARG 25 HE ARG 25 -8.052 13.140 -2.181 193 1HH1 ARG 25 HH1 ARG 25 -11.524 12.880 -1.622 194 2HH1 ARG 25 HH1 ARG 25 -11.834 14.513 -2.109 195 1HH2 ARG 25 HH2 ARG 25 -8.481 15.307 -2.690 196 2HH2 ARG 25 HH2 ARG 25 -10.114 15.885 -2.717 197 H ILE 26 HN ILE 26 -4.169 12.159 -0.474 198 HA ILE 26 HA ILE 26 -2.519 10.452 -2.099 199 HB ILE 26 HB ILE 26 -1.971 13.192 -0.855 200 1HG1 ILE 26 HG1 ILE 26 -3.978 12.955 -2.369 201 2HG1 ILE 26 HG1 ILE 26 -2.764 14.168 -2.865 202 1HG2 ILE 26 HMG ILE 26 -0.288 11.427 -2.460 203 2HG2 ILE 26 HMG ILE 26 -0.495 13.047 -3.176 204 3HG2 ILE 26 HMG ILE 26 0.129 12.880 -1.514 205 1HD1 ILE 26 HMD ILE 26 -3.039 11.379 -4.027 206 2HD1 ILE 26 HMD ILE 26 -3.651 12.882 -4.770 207 3HD1 ILE 26 HMD ILE 26 -1.897 12.644 -4.553 208 H THR 27 HN THR 27 -2.752 11.142 1.290 209 HA THR 27 HA THR 27 0.006 10.724 1.932 210 HB THR 27 HB THR 27 -2.510 10.808 3.691 211 HG1 THR 27 HG1 THR 27 -2.155 12.619 3.872 212 1HG2 THR 27 HMG THR 27 -0.106 9.729 4.505 213 2HG2 THR 27 HMG THR 27 0.022 11.431 5.014 214 3HG2 THR 27 HMG THR 27 -1.353 10.440 5.562 215 H LEU 28 HN LEU 28 -2.926 8.725 2.368 216 HA LEU 28 HA LEU 28 -1.641 6.263 2.998 217 1HB LEU 28 HBR LEU 28 -4.160 7.170 2.847 218 2HB LEU 28 HBS LEU 28 -4.059 6.368 1.259 219 HG LEU 28 HG LEU 28 -3.847 4.246 2.187 220 1HD1 LEU 28 HMD LEU 28 -3.076 5.680 4.727 221 2HD1 LEU 28 HMD LEU 28 -3.713 4.016 4.759 222 3HD1 LEU 28 HMD LEU 28 -2.222 4.381 3.854 223 1HD2 LEU 28 HMD LEU 28 -6.017 5.721 2.584 224 2HD2 LEU 28 HMD LEU 28 -5.886 4.050 3.189 225 3HD2 LEU 28 HMD LEU 28 -5.610 5.422 4.293 226 H ALA 29 HN ALA 29 -2.796 7.541 -0.140 227 HA ALA 29 HA ALA 29 -1.691 5.691 -1.777 228 1HB ALA 29 HMB ALA 29 -3.166 7.509 -2.500 229 2HB ALA 29 HMB ALA 29 -1.817 8.664 -2.355 230 3HB ALA 29 HMB ALA 29 -1.738 7.349 -3.554 231 H LYS 30 HN LYS 30 0.031 8.183 -0.063 232 HA LYS 30 HA LYS 30 2.506 7.654 -1.519 233 1HB LYS 30 HBR LYS 30 1.803 9.931 -0.714 234 2HB LYS 30 HBS LYS 30 2.093 9.359 0.953 235 1HG LYS 30 HGR LYS 30 4.008 10.642 0.126 236 2HG LYS 30 HGS LYS 30 4.457 8.934 0.396 237 1HD LYS 30 HDS LYS 30 3.729 8.822 -2.194 238 2HD LYS 30 HDR LYS 30 4.246 10.485 -2.111 239 1HE LYS 30 HES LYS 30 6.356 9.499 -0.913 240 2HE LYS 30 HER LYS 30 5.835 8.002 -1.736 241 1HZ LYS 30 HZB LYS 30 5.805 10.274 -3.434 242 2HZ LYS 30 HZC LYS 30 7.296 9.977 -2.835 243 3HZ LYS 30 HZA LYS 30 6.500 8.813 -3.660 244 H ILE 31 HN ILE 31 1.000 6.797 1.530 245 HA ILE 31 HA ILE 31 3.229 5.388 2.688 246 HB ILE 31 HB ILE 31 0.211 5.368 2.991 247 1HG1 ILE 31 HG1 ILE 31 1.759 5.643 5.412 248 2HG1 ILE 31 HG1 ILE 31 2.414 6.719 4.144 249 1HG2 ILE 31 HMG ILE 31 1.792 3.052 3.527 250 2HG2 ILE 31 HMG ILE 31 1.291 3.779 5.077 251 3HG2 ILE 31 HMG ILE 31 0.064 3.347 3.857 252 1HD1 ILE 31 HMD ILE 31 -0.505 6.794 4.290 253 2HD1 ILE 31 HMD ILE 31 0.276 7.269 5.821 254 3HD1 ILE 31 HMD ILE 31 0.684 8.124 4.310 255 H LEU 32 HN LEU 32 0.315 4.033 1.104 256 HA LEU 32 HA LEU 32 1.320 1.510 0.870 257 1HB LEU 32 HBR LEU 32 -0.770 3.013 -0.713 258 2HB LEU 32 HBS LEU 32 -0.479 1.262 -0.924 259 HG LEU 32 HG LEU 32 -0.891 1.153 1.644 260 1HD1 LEU 32 HMD LEU 32 -2.091 3.816 0.855 261 2HD1 LEU 32 HMD LEU 32 -2.689 2.864 2.236 262 3HD1 LEU 32 HMD LEU 32 -1.006 3.446 2.218 263 1HD2 LEU 32 HMD LEU 32 -2.373 0.742 -0.657 264 2HD2 LEU 32 HMD LEU 32 -2.818 0.215 0.986 265 3HD2 LEU 32 HMD LEU 32 -3.448 1.752 0.344 266 H GLU 33 HN GLU 33 1.598 4.132 -1.500 267 HA GLU 33 HA GLU 33 2.754 2.672 -3.610 268 1HB GLU 33 HBR GLU 33 2.853 5.510 -2.639 269 2HB GLU 33 HBS GLU 33 3.954 5.015 -3.805 270 1HG GLU 33 HGS GLU 33 2.154 4.134 -5.259 271 2HG GLU 33 HGR GLU 33 0.932 4.878 -4.193 272 H GLU 34 HN GLU 34 4.371 4.523 -0.992 273 HA GLU 34 HA GLU 34 7.048 3.964 -1.907 274 1HB GLU 34 HBS GLU 34 6.438 5.847 -0.613 275 2HB GLU 34 HBR GLU 34 5.779 4.951 0.643 276 1HG GLU 34 HGS GLU 34 7.802 5.175 1.657 277 2HG GLU 34 HGR GLU 34 8.467 3.996 0.494 278 H MET 35 HN MET 35 4.667 2.279 -0.007 279 HA MET 35 HA MET 35 6.381 0.102 0.846 280 1HB MET 35 HBR MET 35 3.634 0.799 1.083 281 2HB MET 35 HBS MET 35 3.719 -0.767 0.237 282 1HG MET 35 HGS MET 35 3.711 -1.400 2.514 283 2HG MET 35 HGR MET 35 5.430 -1.447 2.061 284 1HE MET 35 HME MET 35 7.073 -0.288 2.773 285 2HE MET 35 HME MET 35 6.931 1.487 2.706 286 3HE MET 35 HME MET 35 7.160 0.670 4.273 287 H GLY 36 HN GLY 36 4.155 0.631 -1.911 288 1HA GLY 36 HAR GLY 36 4.505 -1.819 -3.101 289 2HA GLY 36 HAS GLY 36 4.031 -0.348 -3.994 290 H ARG 37 HN ARG 37 6.348 1.176 -3.728 291 HA ARG 37 HA ARG 37 8.094 0.087 -5.746 292 1HB ARG 37 HBS ARG 37 7.629 2.581 -4.920 293 2HB ARG 37 HBR ARG 37 9.037 2.220 -3.880 294 1HG ARG 37 HGS ARG 37 10.495 2.262 -5.610 295 2HG ARG 37 HGR ARG 37 9.335 1.522 -6.749 296 1HD ARG 37 HDS ARG 37 9.856 3.787 -7.402 297 2HD ARG 37 HDR ARG 37 8.146 3.646 -6.907 298 HE ARG 37 HE ARG 37 8.564 5.121 -5.184 299 1HH1 ARG 37 HH1 ARG 37 11.629 4.113 -6.606 300 2HH1 ARG 37 HH1 ARG 37 12.571 5.113 -5.551 301 1HH2 ARG 37 HH2 ARG 37 9.837 6.314 -3.737 302 2HH2 ARG 37 HH2 ARG 37 11.559 6.360 -3.929 303 H ASP 38 HN ASP 38 8.261 0.474 -2.203 304 HA ASP 38 HA ASP 38 10.826 -0.521 -1.878 305 1HB ASP 38 HBR ASP 38 8.475 -0.260 -0.066 306 2HB ASP 38 HBS ASP 38 9.910 -1.175 0.481 307 H ILE 39 HN ILE 39 7.758 -2.341 -1.719 308 HA ILE 39 HA ILE 39 9.010 -4.835 -1.007 309 HB ILE 39 HB ILE 39 6.312 -4.489 -2.390 310 1HG1 ILE 39 HG1 ILE 39 6.460 -4.478 0.599 311 2HG1 ILE 39 HG1 ILE 39 6.938 -2.984 -0.252 312 1HG2 ILE 39 HMG ILE 39 7.215 -6.790 -2.037 313 2HG2 ILE 39 HMG ILE 39 7.148 -6.485 -0.281 314 3HG2 ILE 39 HMG ILE 39 5.648 -6.468 -1.246 315 1HD1 ILE 39 HMD ILE 39 4.715 -3.105 -1.458 316 2HD1 ILE 39 HMD ILE 39 4.269 -4.405 -0.321 317 3HD1 ILE 39 HMD ILE 39 4.636 -2.770 0.292 318 H ALA 40 HN ALA 40 8.328 -3.141 -3.999 319 HA ALA 40 HA ALA 40 8.546 -5.305 -5.794 320 1HB ALA 40 HMB ALA 40 7.724 -2.998 -6.308 321 2HB ALA 40 HMB ALA 40 9.418 -2.447 -6.297 322 3HB ALA 40 HMB ALA 40 8.884 -3.657 -7.490 323 H SER 41 HN SER 41 11.049 -2.869 -4.966 324 HA SER 41 HA SER 41 12.990 -4.305 -6.549 325 1HB SER 41 HBS SER 41 12.683 -1.668 -5.472 326 2HB SER 41 HBR SER 41 14.287 -2.310 -5.016 327 HG SER 41 HG SER 41 13.681 -1.111 -7.191 328 H GLU 42 HN GLU 42 11.994 -4.423 -3.282 329 HA GLU 42 HA GLU 42 14.439 -5.721 -2.286 330 1HB GLU 42 HBS GLU 42 12.044 -4.604 -1.332 331 2HB GLU 42 HBR GLU 42 11.959 -6.213 -0.861 332 1HG GLU 42 HGR GLU 42 13.987 -4.053 -0.077 333 2HG GLU 42 HGS GLU 42 12.998 -5.118 0.958 334 H ALA 43 HN ALA 43 11.163 -6.574 -3.416 335 HA ALA 43 HA ALA 43 11.443 -9.434 -2.996 336 1HB ALA 43 HMB ALA 43 9.268 -8.234 -3.133 337 2HB ALA 43 HMB ALA 43 9.594 -7.919 -4.857 338 3HB ALA 43 HMB ALA 43 9.416 -9.594 -4.275 339 H ILE 44 HN ILE 44 11.997 -7.111 -5.617 340 HA ILE 44 HA ILE 44 13.026 -8.984 -7.546 341 HB ILE 44 HB ILE 44 13.346 -5.991 -7.065 342 1HG1 ILE 44 HG1 ILE 44 12.072 -7.423 -9.411 343 2HG1 ILE 44 HG1 ILE 44 11.195 -7.118 -7.883 344 1HG2 ILE 44 HMG ILE 44 15.431 -6.972 -8.131 345 2HG2 ILE 44 HMG ILE 44 14.399 -7.378 -9.529 346 3HG2 ILE 44 HMG ILE 44 14.594 -5.677 -9.028 347 1HD1 ILE 44 HMD ILE 44 11.891 -4.646 -8.254 348 2HD1 ILE 44 HMD ILE 44 12.189 -5.153 -9.937 349 3HD1 ILE 44 HMD ILE 44 10.561 -5.328 -9.228 350 H LYS 45 HN LYS 45 14.587 -6.859 -5.110 351 HA LYS 45 HA LYS 45 17.175 -7.887 -5.332 352 1HB LYS 45 HBS LYS 45 16.606 -5.874 -4.046 353 2HB LYS 45 HBR LYS 45 15.803 -6.889 -2.814 354 1HG LYS 45 HGR LYS 45 17.933 -6.384 -1.917 355 2HG LYS 45 HGS LYS 45 18.068 -8.057 -2.530 356 1HD LYS 45 HDS LYS 45 18.789 -6.440 -4.687 357 2HD LYS 45 HDR LYS 45 19.491 -5.652 -3.300 358 1HE LYS 45 HES LYS 45 20.214 -8.162 -2.720 359 2HE LYS 45 HER LYS 45 20.123 -8.268 -4.500 360 1HZ LYS 45 HZC LYS 45 21.494 -6.149 -4.404 361 2HZ LYS 45 HZA LYS 45 21.834 -6.562 -2.861 362 3HZ LYS 45 HZB LYS 45 22.249 -7.562 -4.083 363 H LEU 46 HN LEU 46 14.341 -9.378 -4.100 364 HA LEU 46 HA LEU 46 15.757 -11.177 -2.318 365 1HB LEU 46 HBR LEU 46 12.973 -10.423 -3.020 366 2HB LEU 46 HBS LEU 46 13.214 -12.080 -2.397 367 HG LEU 46 HG LEU 46 14.367 -9.780 -0.872 368 1HD1 LEU 46 HMD LEU 46 11.469 -10.392 -1.265 369 2HD1 LEU 46 HMD LEU 46 12.030 -10.012 0.382 370 3HD1 LEU 46 HMD LEU 46 12.281 -8.841 -0.937 371 1HD2 LEU 46 HMD LEU 46 13.325 -12.565 -0.392 372 2HD2 LEU 46 HMD LEU 46 14.919 -11.870 -0.003 373 3HD2 LEU 46 HMD LEU 46 13.487 -11.409 0.955 374 H ALA 47 HN ALA 47 14.156 -11.363 -5.478 375 HA ALA 47 HA ALA 47 14.650 -14.100 -6.041 376 1HB ALA 47 HMB ALA 47 14.542 -11.661 -7.832 377 2HB ALA 47 HMB ALA 47 14.617 -13.345 -8.411 378 3HB ALA 47 HMB ALA 47 13.222 -12.795 -7.448 379 H ARG 48 HN ARG 48 16.620 -11.169 -6.621 380 HA ARG 48 HA ARG 48 18.750 -12.419 -7.895 381 1HB ARG 48 HBR ARG 48 18.767 -9.961 -6.115 382 2HB ARG 48 HBS ARG 48 20.128 -10.482 -7.150 383 1HG ARG 48 HGS ARG 48 17.826 -10.388 -8.803 384 2HG ARG 48 HGR ARG 48 17.821 -8.896 -7.822 385 1HD ARG 48 HDS ARG 48 19.364 -8.044 -9.133 386 2HD ARG 48 HDR ARG 48 20.480 -9.350 -8.649 387 HE ARG 48 HE ARG 48 18.616 -10.122 -10.737 388 1HH1 ARG 48 HH1 ARG 48 21.598 -8.329 -10.178 389 2HH1 ARG 48 HH1 ARG 48 22.285 -8.781 -11.702 390 1HH2 ARG 48 HH2 ARG 48 19.598 -10.797 -12.665 391 2HH2 ARG 48 HH2 ARG 48 21.152 -10.177 -13.111 392 H HIS 49 HN HIS 49 18.454 -11.605 -4.419 393 HA HIS 49 HA HIS 49 20.865 -12.763 -3.599 394 1HB HIS 49 HBS HIS 49 19.118 -11.321 -2.235 395 2HB HIS 49 HBR HIS 49 18.481 -12.923 -1.761 396 HD1 HIS 49 HD1 HIS 49 22.180 -11.946 -2.169 397 HD2 HIS 49 HD2 HIS 49 19.454 -13.082 0.768 398 HE1 HIS 49 HE1 HIS 49 23.480 -12.140 -0.035 399 HE2 HIS 49 HE2 HIS 49 21.831 -12.804 1.751 400 H ALA 50 HN ALA 50 17.680 -14.209 -4.100 401 HA ALA 50 HA ALA 50 18.299 -16.870 -3.240 402 1HB ALA 50 HMB ALA 50 16.090 -15.568 -4.215 403 2HB ALA 50 HMB ALA 50 16.561 -16.600 -5.590 404 3HB ALA 50 HMB ALA 50 16.248 -17.329 -3.995 405 H GLY 51 HN GLY 51 18.625 -15.143 -6.346 406 1HA GLY 51 HAR GLY 51 20.567 -15.871 -7.728 407 2HA GLY 51 HAS GLY 51 19.997 -17.545 -7.491 408 H ARG 52 HN ARG 52 17.565 -15.111 -7.798 409 HA ARG 52 HA ARG 52 16.292 -14.266 -9.500 410 1HB ARG 52 HBR ARG 52 18.925 -14.573 -10.630 411 2HB ARG 52 HBS ARG 52 17.688 -14.961 -11.859 412 1HG ARG 52 HGS ARG 52 17.396 -12.466 -10.213 413 2HG ARG 52 HGR ARG 52 18.576 -12.499 -11.554 414 1HD ARG 52 HDS ARG 52 16.402 -13.615 -12.727 415 2HD ARG 52 HDR ARG 52 15.637 -12.474 -11.585 416 HE ARG 52 HE ARG 52 17.349 -11.798 -13.884 417 1HH1 ARG 52 HH1 ARG 52 15.873 -10.651 -10.895 418 2HH1 ARG 52 HH1 ARG 52 15.744 -9.019 -11.458 419 1HH2 ARG 52 HH2 ARG 52 17.045 -9.681 -14.633 420 2HH2 ARG 52 HH2 ARG 52 16.408 -8.468 -13.572 421 H LYS 53 HN LYS 53 14.578 -15.610 -9.348 422 HA LYS 53 HA LYS 53 14.152 -17.064 -11.795 423 1HB LYS 53 HBR LYS 53 13.452 -18.623 -9.307 424 2HB LYS 53 HBS LYS 53 13.470 -19.155 -11.012 425 1HG LYS 53 HGR LYS 53 15.920 -19.061 -11.035 426 2HG LYS 53 HGS LYS 53 15.927 -18.475 -9.348 427 1HD LYS 53 HDS LYS 53 14.940 -21.164 -10.303 428 2HD LYS 53 HDR LYS 53 16.467 -20.835 -9.531 429 1HE LYS 53 HES LYS 53 13.792 -20.310 -8.241 430 2HE LYS 53 HER LYS 53 14.780 -21.781 -8.015 431 1HZ LYS 53 HZC LYS 53 16.083 -19.245 -7.571 432 2HZ LYS 53 HZA LYS 53 14.975 -19.696 -6.458 433 3HZ LYS 53 HZB LYS 53 16.253 -20.662 -6.777 434 H THR 54 HN THR 54 12.824 -15.207 -11.990 435 HA THR 54 HA THR 54 10.812 -14.140 -12.012 436 HB THR 54 HB THR 54 9.742 -16.700 -10.699 437 HG1 THR 54 HG1 THR 54 10.871 -17.226 -12.126 438 1HG2 THR 54 HMG THR 54 8.460 -14.497 -12.295 439 2HG2 THR 54 HMG THR 54 7.781 -16.145 -12.294 440 3HG2 THR 54 HMG THR 54 7.932 -15.242 -10.765 441 H ILE 55 HN ILE 55 8.988 -13.310 -10.680 442 HA ILE 55 HA ILE 55 9.567 -13.370 -7.760 443 HB ILE 55 HB ILE 55 8.604 -10.994 -9.425 444 1HG1 ILE 55 HG1 ILE 55 11.077 -11.229 -7.677 445 2HG1 ILE 55 HG1 ILE 55 11.062 -11.619 -9.420 446 1HG2 ILE 55 HMG ILE 55 8.852 -11.253 -6.422 447 2HG2 ILE 55 HMG ILE 55 8.633 -9.716 -7.300 448 3HG2 ILE 55 HMG ILE 55 7.368 -10.972 -7.370 449 1HD1 ILE 55 HMD ILE 55 9.925 -9.095 -9.316 450 2HD1 ILE 55 HMD ILE 55 11.201 -9.033 -8.072 451 3HD1 ILE 55 HMD ILE 55 11.612 -9.481 -9.748 452 H LYS 56 HN LYS 56 7.783 -13.417 -6.407 453 HA LYS 56 HA LYS 56 5.106 -13.905 -7.532 454 1HB LYS 56 HBR LYS 56 5.230 -16.189 -6.232 455 2HB LYS 56 HBS LYS 56 5.747 -16.057 -7.939 456 1HG LYS 56 HGR LYS 56 8.038 -15.487 -6.379 457 2HG LYS 56 HGS LYS 56 7.257 -16.902 -5.617 458 1HD LYS 56 HDS LYS 56 7.276 -17.194 -8.480 459 2HD LYS 56 HDR LYS 56 8.877 -16.798 -7.918 460 1HE LYS 56 HES LYS 56 7.173 -19.088 -6.947 461 2HE LYS 56 HER LYS 56 8.624 -19.170 -7.987 462 1HZ LYS 56 HZC LYS 56 9.616 -17.905 -5.946 463 2HZ LYS 56 HZA LYS 56 8.430 -18.688 -5.142 464 3HZ LYS 56 HZB LYS 56 9.543 -19.535 -5.986 465 H ALA 57 HN ALA 57 3.832 -15.065 -5.585 466 HA ALA 57 HA ALA 57 3.464 -12.906 -3.824 467 1HB ALA 57 HMB ALA 57 2.453 -15.756 -3.611 468 2HB ALA 57 HMB ALA 57 1.817 -14.346 -2.726 469 3HB ALA 57 HMB ALA 57 1.683 -14.417 -4.501 470 H GLU 58 HN GLU 58 5.513 -15.687 -3.606 471 HA GLU 58 HA GLU 58 6.047 -15.665 -0.764 472 1HB GLU 58 HBS GLU 58 7.628 -16.383 -3.196 473 2HB GLU 58 HBR GLU 58 8.223 -16.665 -1.652 474 1HG GLU 58 HGS GLU 58 5.573 -17.730 -2.685 475 2HG GLU 58 HGR GLU 58 7.064 -18.689 -2.889 476 H ASP 59 HN ASP 59 8.111 -14.551 -3.478 477 HA ASP 59 HA ASP 59 9.835 -13.181 -1.809 478 1HB ASP 59 HBS ASP 59 9.649 -13.730 -4.566 479 2HB ASP 59 HBR ASP 59 9.965 -11.978 -4.392 480 H ILE 60 HN ILE 60 6.767 -12.189 -2.949 481 HA ILE 60 HA ILE 60 7.276 -9.305 -2.736 482 HB ILE 60 HB ILE 60 4.755 -10.952 -3.253 483 1HG1 ILE 60 HG1 ILE 60 6.584 -10.843 -4.990 484 2HG1 ILE 60 HG1 ILE 60 4.965 -10.304 -5.520 485 1HG2 ILE 60 HMG ILE 60 4.307 -8.784 -2.040 486 2HG2 ILE 60 HMG ILE 60 4.954 -7.948 -3.476 487 3HG2 ILE 60 HMG ILE 60 3.507 -8.981 -3.621 488 1HD1 ILE 60 HMD ILE 60 5.743 -7.936 -5.094 489 2HD1 ILE 60 HMD ILE 60 7.385 -8.603 -4.889 490 3HD1 ILE 60 HMD ILE 60 6.537 -8.784 -6.448 491 H GLU 61 HN GLU 61 5.281 -11.763 -1.050 492 HA GLU 61 HA GLU 61 4.531 -10.002 1.140 493 1HB GLU 61 HBR GLU 61 4.469 -12.966 0.588 494 2HB GLU 61 HBS GLU 61 4.168 -12.355 2.123 495 1HG GLU 61 HGS GLU 61 2.455 -10.762 1.105 496 2HG GLU 61 HGR GLU 61 2.447 -11.830 -0.326 497 H LEU 62 HN LEU 62 7.338 -11.761 0.204 498 HA LEU 62 HA LEU 62 8.482 -11.939 2.897 499 1HB LEU 62 HBR LEU 62 8.890 -13.495 0.921 500 2HB LEU 62 HBS LEU 62 9.887 -12.182 0.231 501 HG LEU 62 HG LEU 62 11.307 -13.817 1.271 502 1HD1 LEU 62 HMD LEU 62 11.553 -11.202 1.645 503 2HD1 LEU 62 HMD LEU 62 11.280 -11.659 3.345 504 3HD1 LEU 62 HMD LEU 62 12.644 -12.364 2.442 505 1HD2 LEU 62 HMD LEU 62 9.216 -13.645 3.343 506 2HD2 LEU 62 HMD LEU 62 10.285 -14.999 2.894 507 3HD2 LEU 62 HMD LEU 62 10.880 -13.714 3.975 508 H ALA 63 HN ALA 63 8.709 -9.883 0.002 509 HA ALA 63 HA ALA 63 10.709 -8.075 1.074 510 1HB ALA 63 HMB ALA 63 8.682 -7.853 -1.165 511 2HB ALA 63 HMB ALA 63 9.873 -6.592 -0.758 512 3HB ALA 63 HMB ALA 63 10.425 -8.198 -1.296 513 H VAL 64 HN VAL 64 7.190 -8.376 1.086 514 HA VAL 64 HA VAL 64 6.639 -5.956 2.562 515 HB VAL 64 HB VAL 64 5.173 -8.542 2.053 516 1HG1 VAL 64 HMG VAL 64 4.523 -6.459 4.053 517 2HG1 VAL 64 HMG VAL 64 3.191 -6.952 2.981 518 3HG1 VAL 64 HMG VAL 64 4.041 -8.170 3.962 519 1HG2 VAL 64 HMG VAL 64 5.152 -5.806 0.902 520 2HG2 VAL 64 HMG VAL 64 4.946 -7.395 0.126 521 3HG2 VAL 64 HMG VAL 64 3.596 -6.662 1.024 522 H ARG 65 HN ARG 65 6.340 -9.327 3.692 523 HA ARG 65 HA ARG 65 6.395 -8.731 6.335 524 1HB ARG 65 HBR ARG 65 7.255 -11.248 4.901 525 2HB ARG 65 HBS ARG 65 7.232 -11.131 6.684 526 1HG ARG 65 HGS ARG 65 4.858 -10.764 4.825 527 2HG ARG 65 HGR ARG 65 5.198 -12.192 5.843 528 1HD ARG 65 HDS ARG 65 4.443 -9.405 6.671 529 2HD ARG 65 HDR ARG 65 3.621 -10.949 7.028 530 HE ARG 65 HE ARG 65 6.327 -10.436 8.124 531 1HH1 ARG 65 HH1 ARG 65 2.853 -10.657 8.681 532 2HH1 ARG 65 HH1 ARG 65 3.037 -11.039 10.360 533 1HH2 ARG 65 HH2 ARG 65 6.530 -11.063 10.293 534 2HH2 ARG 65 HH2 ARG 65 5.117 -11.267 11.274 535 H ARG 66 HN ARG 66 9.110 -8.686 4.240 536 HA ARG 66 HA ARG 66 11.160 -8.746 6.233 537 1HB ARG 66 HBR ARG 66 11.667 -9.002 3.865 538 2HB ARG 66 HBS ARG 66 11.091 -7.341 3.542 539 1HG ARG 66 HGS ARG 66 13.562 -7.532 3.604 540 2HG ARG 66 HGR ARG 66 12.911 -6.406 4.829 541 1HD ARG 66 HDS ARG 66 12.953 -8.466 6.385 542 2HD ARG 66 HDR ARG 66 14.073 -9.147 5.173 543 HE ARG 66 HE ARG 66 15.407 -6.995 5.578 544 1HH1 ARG 66 HH1 ARG 66 13.602 -8.761 8.037 545 2HH1 ARG 66 HH1 ARG 66 14.457 -8.024 9.351 546 1HH2 ARG 66 HH2 ARG 66 16.428 -5.971 7.323 547 2HH2 ARG 66 HH2 ARG 66 16.063 -6.451 8.946 548 H PHE 67 HN PHE 67 9.516 -6.007 4.599 549 HA PHE 67 HA PHE 67 10.337 -3.981 6.391 550 1HB PHE 67 HBR PHE 67 7.587 -4.073 5.090 551 2HB PHE 67 HBS PHE 67 8.513 -2.645 5.635 552 HD1 PHE 67 HD2 PHE 67 11.000 -2.535 4.406 553 HD2 PHE 67 HD1 PHE 67 7.468 -4.395 2.915 554 HE1 PHE 67 HE2 PHE 67 11.959 -2.517 2.126 555 HE2 PHE 67 HE1 PHE 67 8.446 -4.490 0.665 556 HZ PHE 67 HZ PHE 67 10.628 -3.420 0.240 557 H LYS 68 HN LYS 68 7.430 -6.067 6.436 558 HA LYS 68 HA LYS 68 5.864 -6.489 8.062 559 1HB LYS 68 HBS LYS 68 8.211 -6.200 9.594 560 2HB LYS 68 HBR LYS 68 6.999 -5.122 10.345 561 1HG LYS 68 HGR LYS 68 5.560 -7.446 9.876 562 2HG LYS 68 HGS LYS 68 7.176 -8.058 10.327 563 1HD LYS 68 HDS LYS 68 6.064 -7.943 12.342 564 2HD LYS 68 HDR LYS 68 7.102 -6.544 12.303 565 1HE LYS 68 HES LYS 68 4.780 -6.155 13.183 566 2HE LYS 68 HER LYS 68 5.345 -5.060 11.889 567 1HZ LYS 68 HZC LYS 68 4.039 -7.344 10.865 568 2HZ LYS 68 HZA LYS 68 3.062 -6.512 11.876 569 3HZ LYS 68 HZB LYS 68 3.734 -5.764 10.589 570 H LYS 69 HN LYS 69 7.371 -3.492 9.303 571 HA LYS 69 HA LYS 69 4.868 -2.005 9.258 572 1HB LYS 69 HBS LYS 69 6.232 -0.081 9.827 573 2HB LYS 69 HBR LYS 69 6.617 -1.468 10.885 574 1HG LYS 69 HGR LYS 69 8.778 -1.346 10.327 575 2HG LYS 69 HGS LYS 69 8.375 -1.479 8.592 576 1HD LYS 69 HDS LYS 69 8.009 0.912 8.455 577 2HD LYS 69 HDR LYS 69 8.285 1.080 10.166 578 1HE LYS 69 HES LYS 69 10.530 0.922 10.009 579 2HE LYS 69 HER LYS 69 10.447 -0.219 8.638 580 1HZ LYS 69 HZC LYS 69 9.424 2.139 7.728 581 2HZ LYS 69 HZA LYS 69 10.737 2.576 8.597 582 3HZ LYS 69 HZB LYS 69 10.887 1.505 7.373 583 1H MET 1 HN MET 1 -11.556 -6.445 -7.921 584 2H MET 1 HNB MET 1 -12.965 -6.483 -8.747 585 3H MET 1 HNC MET 1 -11.869 -5.313 -9.056 586 HA MET 1 HA MET 1 -13.344 -4.173 -7.829 587 1HB MET 1 HBS MET 1 -13.748 -6.859 -6.600 588 2HB MET 1 HBR MET 1 -14.074 -5.441 -5.571 589 1HG MET 1 HGS MET 1 -15.207 -5.651 -8.392 590 2HG MET 1 HGR MET 1 -16.015 -6.422 -7.008 591 1HE MET 1 HME MET 1 -17.660 -4.516 -8.492 592 2HE MET 1 HME MET 1 -17.643 -2.779 -8.093 593 3HE MET 1 HME MET 1 -16.365 -3.469 -9.125 594 H GLU 2 HN GLU 2 -10.401 -4.905 -7.728 595 HA GLU 2 HA GLU 2 -9.899 -3.170 -5.400 596 1HB GLU 2 HBR GLU 2 -8.164 -4.463 -4.542 597 2HB GLU 2 HBS GLU 2 -9.504 -5.458 -4.727 598 1HG GLU 2 HGS GLU 2 -8.018 -5.620 -7.156 599 2HG GLU 2 HGR GLU 2 -6.913 -6.011 -5.811 600 H LEU 3 HN LEU 3 -7.046 -3.325 -5.789 601 HA LEU 3 HA LEU 3 -6.882 -1.215 -7.730 602 1HB LEU 3 HBR LEU 3 -4.485 -2.648 -6.646 603 2HB LEU 3 HBS LEU 3 -4.757 -0.903 -6.914 604 HG LEU 3 HG LEU 3 -5.874 -2.576 -4.647 605 1HD1 LEU 3 HMD LEU 3 -3.492 -0.838 -5.011 606 2HD1 LEU 3 HMD LEU 3 -4.423 -0.605 -3.510 607 3HD1 LEU 3 HMD LEU 3 -3.760 -2.210 -3.906 608 1HD2 LEU 3 HMD LEU 3 -7.385 -0.792 -5.440 609 2HD2 LEU 3 HMD LEU 3 -6.726 -0.442 -3.821 610 3HD2 LEU 3 HMD LEU 3 -6.069 0.394 -5.250 611 HA PRO 4 HA PRO 4 -5.637 -3.474 -11.355 612 1HB PRO 4 HBR PRO 4 -4.609 -1.321 -12.577 613 2HB PRO 4 HBS PRO 4 -6.151 -1.853 -12.761 614 1HG PRO 4 HGS PRO 4 -5.301 0.427 -11.489 615 2HG PRO 4 HGR PRO 4 -6.870 -0.036 -11.812 616 1HD PRO 4 HDS PRO 4 -5.519 -0.179 -9.395 617 2HD PRO 4 HDR PRO 4 -7.119 -0.481 -9.684 618 H ILE 5 HN ILE 5 -3.886 -4.501 -12.070 619 HA ILE 5 HA ILE 5 -1.451 -3.929 -10.528 620 HB ILE 5 HB ILE 5 -0.662 -6.097 -11.302 621 1HG1 ILE 5 HG1 ILE 5 -1.745 -5.784 -13.613 622 2HG1 ILE 5 HG1 ILE 5 -1.619 -7.434 -12.943 623 1HG2 ILE 5 HMG ILE 5 -3.328 -5.858 -10.043 624 2HG2 ILE 5 HMG ILE 5 -2.864 -7.479 -10.626 625 3HG2 ILE 5 HMG ILE 5 -1.824 -6.620 -9.460 626 1HD1 ILE 5 HMD ILE 5 -4.143 -6.378 -12.152 627 2HD1 ILE 5 HMD ILE 5 -3.928 -6.049 -13.892 628 3HD1 ILE 5 HMD ILE 5 -3.790 -7.717 -13.276 629 H ALA 6 HN ALA 6 -2.550 -2.373 -12.971 630 HA ALA 6 HA ALA 6 -0.203 -2.475 -14.725 631 1HB ALA 6 HMB ALA 6 -2.871 -1.750 -15.043 632 2HB ALA 6 HMB ALA 6 -1.989 -0.203 -15.063 633 3HB ALA 6 HMB ALA 6 -1.546 -1.495 -16.207 634 HA PRO 7 HA PRO 7 0.330 1.843 -12.532 635 1HB PRO 7 HBR PRO 7 -1.189 2.059 -10.320 636 2HB PRO 7 HBS PRO 7 -1.426 2.892 -11.715 637 1HG PRO 7 HGS PRO 7 -2.891 0.746 -10.713 638 2HG PRO 7 HGR PRO 7 -3.344 1.863 -11.868 639 1HD PRO 7 HDS PRO 7 -2.637 -0.679 -12.367 640 2HD PRO 7 HDR PRO 7 -2.750 0.521 -13.499 641 H ILE 8 HN ILE 8 -0.642 -0.657 -10.319 642 HA ILE 8 HA ILE 8 1.499 -0.466 -8.569 643 HB ILE 8 HB ILE 8 -0.055 -2.944 -9.458 644 1HG1 ILE 8 HG1 ILE 8 -0.462 -0.895 -7.255 645 2HG1 ILE 8 HG1 ILE 8 -1.529 -1.255 -8.641 646 1HG2 ILE 8 HMG ILE 8 2.200 -2.742 -7.683 647 2HG2 ILE 8 HMG ILE 8 0.745 -3.244 -6.782 648 3HG2 ILE 8 HMG ILE 8 1.280 -4.181 -8.203 649 1HD1 ILE 8 HMD ILE 8 -1.709 -3.617 -7.580 650 2HD1 ILE 8 HMD ILE 8 -1.101 -2.818 -6.106 651 3HD1 ILE 8 HMD ILE 8 -2.621 -2.264 -6.859 652 H GLY 9 HN GLY 9 1.251 -2.756 -11.322 653 1HA GLY 9 HAR GLY 9 3.750 -3.862 -11.069 654 2HA GLY 9 HAS GLY 9 2.867 -3.776 -12.616 655 H ARG 10 HN ARG 10 2.931 -0.731 -12.330 656 HA ARG 10 HA ARG 10 5.417 -0.384 -13.852 657 1HB ARG 10 HBR ARG 10 3.117 1.464 -13.165 658 2HB ARG 10 HBS ARG 10 4.605 2.006 -13.995 659 1HG ARG 10 HGS ARG 10 3.726 -0.239 -15.437 660 2HG ARG 10 HGR ARG 10 2.248 0.695 -15.069 661 1HD ARG 10 HDS ARG 10 3.435 2.727 -15.899 662 2HD ARG 10 HDR ARG 10 4.754 1.653 -16.445 663 HE ARG 10 HE ARG 10 2.116 1.965 -17.655 664 1HH1 ARG 10 HH1 ARG 10 4.798 -0.283 -17.231 665 2HH1 ARG 10 HH1 ARG 10 4.586 -1.002 -18.792 666 1HH2 ARG 10 HH2 ARG 10 1.949 1.089 -19.739 667 2HH2 ARG 10 HH2 ARG 10 2.971 -0.227 -20.211 668 H ILE 11 HN ILE 11 4.062 0.343 -10.689 669 HA ILE 11 HA ILE 11 6.257 1.956 -9.729 670 HB ILE 11 HB ILE 11 4.191 0.221 -8.291 671 1HG1 ILE 11 HG1 ILE 11 4.366 3.187 -8.919 672 2HG1 ILE 11 HG1 ILE 11 3.150 2.008 -9.485 673 1HG2 ILE 11 HMG ILE 11 6.345 0.633 -7.006 674 2HG2 ILE 11 HMG ILE 11 5.875 2.354 -6.986 675 3HG2 ILE 11 HMG ILE 11 4.822 1.133 -6.224 676 1HD1 ILE 11 HMD ILE 11 2.812 1.803 -6.806 677 2HD1 ILE 11 HMD ILE 11 3.326 3.505 -6.938 678 3HD1 ILE 11 HMD ILE 11 1.903 2.930 -7.847 679 H ILE 12 HN ILE 12 5.481 -1.521 -9.765 680 HA ILE 12 HA ILE 12 7.913 -2.336 -8.514 681 HB ILE 12 HB ILE 12 6.284 -4.042 -10.442 682 1HG1 ILE 12 HG1 ILE 12 4.585 -3.047 -9.149 683 2HG1 ILE 12 HG1 ILE 12 4.866 -4.655 -8.427 684 1HG2 ILE 12 HMG ILE 12 8.497 -4.639 -8.948 685 2HG2 ILE 12 HMG ILE 12 7.165 -5.200 -7.903 686 3HG2 ILE 12 HMG ILE 12 7.307 -5.812 -9.572 687 1HD1 ILE 12 HMD ILE 12 6.058 -2.092 -7.336 688 2HD1 ILE 12 HMD ILE 12 4.512 -2.790 -6.786 689 3HD1 ILE 12 HMD ILE 12 6.030 -3.703 -6.570 690 H LYS 13 HN LYS 13 6.936 -1.834 -11.880 691 HA LYS 13 HA LYS 13 9.297 -2.951 -13.117 692 1HB LYS 13 HBR LYS 13 6.974 -1.284 -13.935 693 2HB LYS 13 HBS LYS 13 8.475 -1.086 -14.882 694 1HG LYS 13 HGR LYS 13 8.043 -3.888 -14.543 695 2HG LYS 13 HGS LYS 13 6.490 -3.164 -15.046 696 1HD LYS 13 HDS LYS 13 7.448 -2.216 -16.996 697 2HD LYS 13 HDR LYS 13 9.066 -2.576 -16.460 698 1HE LYS 13 HES LYS 13 7.961 -5.070 -16.457 699 2HE LYS 13 HER LYS 13 7.129 -4.275 -17.824 700 1HZ LYS 13 HZA LYS 13 9.683 -3.555 -18.149 701 2HZ LYS 13 HZB LYS 13 9.850 -5.078 -17.584 702 3HZ LYS 13 HZC LYS 13 8.957 -4.797 -18.923 703 H ASP 14 HN ASP 14 8.226 0.322 -12.160 704 HA ASP 14 HA ASP 14 10.444 1.717 -12.846 705 1HB ASP 14 HBS ASP 14 8.297 2.622 -11.980 706 2HB ASP 14 HBR ASP 14 8.878 2.247 -10.330 707 H ALA 15 HN ALA 15 9.988 -0.181 -9.907 708 HA ALA 15 HA ALA 15 12.433 0.122 -8.674 709 1HB ALA 15 HMB ALA 15 10.295 -1.563 -8.420 710 2HB ALA 15 HMB ALA 15 11.587 -2.680 -8.930 711 3HB ALA 15 HMB ALA 15 11.807 -1.665 -7.482 712 H GLY 16 HN GLY 16 11.669 -1.964 -11.459 713 1HA GLY 16 HAR GLY 16 13.583 -2.315 -13.037 714 2HA GLY 16 HAS GLY 16 14.549 -2.769 -11.608 715 H ALA 17 HN ALA 17 11.254 -3.713 -11.450 716 HA ALA 17 HA ALA 17 11.706 -6.472 -11.638 717 1HB ALA 17 HMB ALA 17 9.695 -4.962 -10.763 718 2HB ALA 17 HMB ALA 17 9.021 -5.400 -12.354 719 3HB ALA 17 HMB ALA 17 9.490 -6.677 -11.203 720 H GLU 18 HN GLU 18 11.333 -8.001 -13.193 721 HA GLU 18 HA GLU 18 10.235 -7.221 -15.779 722 1HB GLU 18 HBR GLU 18 12.040 -7.871 -17.099 723 2HB GLU 18 HBS GLU 18 12.604 -6.789 -15.947 724 1HG GLU 18 HGS GLU 18 13.743 -8.321 -14.647 725 2HG GLU 18 HGR GLU 18 12.937 -9.746 -15.358 726 H ARG 19 HN ARG 19 11.718 -9.689 -13.687 727 HA ARG 19 HA ARG 19 10.196 -11.816 -15.092 728 1HB ARG 19 HBR ARG 19 12.561 -11.891 -13.200 729 2HB ARG 19 HBS ARG 19 11.630 -13.341 -13.673 730 1HG ARG 19 HGS ARG 19 12.323 -13.179 -15.926 731 2HG ARG 19 HGR ARG 19 12.925 -11.511 -15.707 732 1HD ARG 19 HDS ARG 19 14.424 -12.733 -13.882 733 2HD ARG 19 HDR ARG 19 14.146 -14.115 -14.978 734 HE ARG 19 HE ARG 19 15.129 -11.562 -16.108 735 1HH1 ARG 19 HH1 ARG 19 15.885 -14.832 -15.027 736 2HH1 ARG 19 HH1 ARG 19 17.250 -14.983 -16.082 737 1HH2 ARG 19 HH2 ARG 19 16.842 -11.844 -17.566 738 2HH2 ARG 19 HH2 ARG 19 17.793 -13.292 -17.517 739 H VAL 20 HN VAL 20 8.187 -11.196 -14.185 740 HA VAL 20 HA VAL 20 7.856 -11.885 -11.319 741 HB VAL 20 HB VAL 20 6.732 -9.395 -12.612 742 1HG1 VAL 20 HMG VAL 20 6.624 -10.533 -9.836 743 2HG1 VAL 20 HMG VAL 20 6.532 -8.774 -10.094 744 3HG1 VAL 20 HMG VAL 20 5.323 -9.847 -10.839 745 1HG2 VAL 20 HMG VAL 20 9.229 -9.758 -10.960 746 2HG2 VAL 20 HMG VAL 20 9.049 -9.001 -12.560 747 3HG2 VAL 20 HMG VAL 20 8.392 -8.196 -11.115 748 H SER 21 HN SER 21 5.839 -12.590 -10.709 749 HA SER 21 HA SER 21 4.102 -13.472 -12.918 750 1HB SER 21 HBS SER 21 3.098 -14.963 -11.326 751 2HB SER 21 HBR SER 21 4.877 -15.123 -11.263 752 HG SER 21 HG SER 21 4.625 -14.978 -9.228 753 H ASP 22 HN ASP 22 1.885 -13.154 -12.948 754 HA ASP 22 HA ASP 22 0.850 -10.686 -11.912 755 1HB ASP 22 HBS ASP 22 -0.279 -13.008 -13.395 756 2HB ASP 22 HBR ASP 22 -1.389 -11.900 -12.536 757 H ASP 23 HN ASP 23 1.432 -13.759 -10.571 758 HA ASP 23 HA ASP 23 -0.415 -13.667 -8.390 759 1HB ASP 23 HBS ASP 23 0.911 -15.657 -9.121 760 2HB ASP 23 HBR ASP 23 2.332 -14.902 -8.341 761 H ALA 24 HN ALA 24 2.978 -12.584 -8.699 762 HA ALA 24 HA ALA 24 3.175 -11.310 -6.241 763 1HB ALA 24 HMB ALA 24 4.550 -11.134 -8.855 764 2HB ALA 24 HMB ALA 24 4.744 -9.733 -7.771 765 3HB ALA 24 HMB ALA 24 5.201 -11.362 -7.212 766 H ARG 25 HN ARG 25 2.057 -9.965 -9.353 767 HA ARG 25 HA ARG 25 1.906 -7.290 -8.515 768 1HB ARG 25 HBR ARG 25 1.266 -8.795 -10.856 769 2HB ARG 25 HBS ARG 25 -0.139 -7.768 -10.453 770 1HG ARG 25 HGS ARG 25 1.127 -6.433 -11.887 771 2HG ARG 25 HGR ARG 25 1.585 -5.851 -10.261 772 1HD ARG 25 HDS ARG 25 3.546 -6.069 -11.613 773 2HD ARG 25 HDR ARG 25 3.561 -7.319 -10.336 774 HE ARG 25 HE ARG 25 2.512 -8.726 -12.335 775 1HH1 ARG 25 HH1 ARG 25 5.011 -6.258 -12.643 776 2HH1 ARG 25 HH1 ARG 25 5.866 -7.123 -13.876 777 1HH2 ARG 25 HH2 ARG 25 3.728 -9.887 -13.856 778 2HH2 ARG 25 HH2 ARG 25 5.140 -9.176 -14.563 779 H ILE 26 HN ILE 26 -0.424 -9.934 -8.291 780 HA ILE 26 HA ILE 26 -2.440 -8.174 -7.107 781 HB ILE 26 HB ILE 26 -2.440 -11.195 -7.589 782 1HG1 ILE 26 HG1 ILE 26 -3.646 -8.959 -9.263 783 2HG1 ILE 26 HG1 ILE 26 -2.125 -9.821 -9.630 784 1HG2 ILE 26 HMG ILE 26 -4.055 -10.437 -5.867 785 2HG2 ILE 26 HMG ILE 26 -4.800 -9.371 -7.087 786 3HG2 ILE 26 HMG ILE 26 -4.823 -11.140 -7.315 787 1HD1 ILE 26 HMD ILE 26 -4.511 -11.531 -9.234 788 2HD1 ILE 26 HMD ILE 26 -4.534 -10.477 -10.672 789 3HD1 ILE 26 HMD ILE 26 -3.198 -11.636 -10.437 790 H THR 27 HN THR 27 0.114 -10.269 -6.088 791 HA THR 27 HA THR 27 -0.661 -10.650 -3.346 792 HB THR 27 HB THR 27 2.098 -10.479 -4.683 793 HG1 THR 27 HG1 THR 27 2.022 -12.365 -4.756 794 1HG2 THR 27 HMG THR 27 1.389 -11.282 -1.851 795 2HG2 THR 27 HMG THR 27 2.948 -11.633 -2.643 796 3HG2 THR 27 HMG THR 27 2.448 -9.944 -2.369 797 H LEU 28 HN LEU 28 1.629 -8.317 -4.822 798 HA LEU 28 HA LEU 28 1.755 -6.534 -2.716 799 1HB LEU 28 HBR LEU 28 2.765 -6.816 -5.250 800 2HB LEU 28 HBS LEU 28 1.780 -5.338 -5.412 801 HG LEU 28 HG LEU 28 3.117 -4.118 -3.961 802 1HD1 LEU 28 HMD LEU 28 3.552 -6.651 -2.651 803 2HD1 LEU 28 HMD LEU 28 5.114 -5.861 -2.991 804 3HD1 LEU 28 HMD LEU 28 3.861 -4.999 -2.062 805 1HD2 LEU 28 HMD LEU 28 4.146 -4.684 -6.131 806 2HD2 LEU 28 HMD LEU 28 5.355 -4.400 -4.851 807 3HD2 LEU 28 HMD LEU 28 4.974 -6.064 -5.363 808 H ALA 29 HN ALA 29 -0.515 -6.482 -5.473 809 HA ALA 29 HA ALA 29 -1.955 -4.239 -4.799 810 1HB ALA 29 HMB ALA 29 -2.137 -5.781 -6.835 811 2HB ALA 29 HMB ALA 29 -3.308 -6.712 -5.868 812 3HB ALA 29 HMB ALA 29 -3.623 -4.998 -6.241 813 H LYS 30 HN LYS 30 -2.461 -7.562 -3.614 814 HA LYS 30 HA LYS 30 -4.670 -6.770 -1.942 815 1HB LYS 30 HBR LYS 30 -3.204 -9.279 -2.571 816 2HB LYS 30 HBS LYS 30 -4.000 -9.196 -0.973 817 1HG LYS 30 HGR LYS 30 -5.520 -8.457 -3.475 818 2HG LYS 30 HGS LYS 30 -5.303 -10.171 -3.023 819 1HD LYS 30 HDS LYS 30 -6.695 -8.007 -1.457 820 2HD LYS 30 HDR LYS 30 -7.396 -9.408 -2.220 821 1HE LYS 30 HES LYS 30 -5.607 -10.630 -0.606 822 2HE LYS 30 HER LYS 30 -5.996 -9.170 0.345 823 1HZ LYS 30 HZA LYS 30 -8.369 -10.141 -0.611 824 2HZ LYS 30 HZB LYS 30 -7.558 -11.455 -0.079 825 3HZ LYS 30 HZC LYS 30 -7.829 -10.199 0.928 826 H ILE 31 HN ILE 31 -1.253 -6.797 -1.591 827 HA ILE 31 HA ILE 31 -1.064 -6.940 1.292 828 HB ILE 31 HB ILE 31 0.708 -5.866 -0.945 829 1HG1 ILE 31 HG1 ILE 31 1.264 -8.143 0.971 830 2HG1 ILE 31 HG1 ILE 31 0.267 -8.358 -0.495 831 1HG2 ILE 31 HMG ILE 31 0.874 -4.783 1.539 832 2HG2 ILE 31 HMG ILE 31 1.980 -6.174 1.692 833 3HG2 ILE 31 HMG ILE 31 2.241 -4.966 0.407 834 1HD1 ILE 31 HMD ILE 31 2.971 -7.103 -0.764 835 2HD1 ILE 31 HMD ILE 31 2.859 -8.864 -0.506 836 3HD1 ILE 31 HMD ILE 31 2.057 -8.116 -1.913 837 H LEU 32 HN LEU 32 -0.479 -4.113 -0.807 838 HA LEU 32 HA LEU 32 -0.926 -2.227 1.144 839 1HB LEU 32 HBR LEU 32 -1.043 -2.208 -1.863 840 2HB LEU 32 HBS LEU 32 -1.361 -0.720 -0.927 841 HG LEU 32 HG LEU 32 0.867 -0.792 0.014 842 1HD1 LEU 32 HMD LEU 32 1.190 -3.311 -1.651 843 2HD1 LEU 32 HMD LEU 32 2.511 -2.445 -0.826 844 3HD1 LEU 32 HMD LEU 32 1.207 -3.198 0.127 845 1HD2 LEU 32 HMD LEU 32 0.613 -1.094 -2.987 846 2HD2 LEU 32 HMD LEU 32 0.659 0.402 -2.022 847 3HD2 LEU 32 HMD LEU 32 2.127 -0.593 -2.192 848 H GLU 33 HN GLU 33 -3.277 -3.470 -1.233 849 HA GLU 33 HA GLU 33 -5.317 -1.656 -0.674 850 1HB GLU 33 HBR GLU 33 -5.113 -3.235 -2.581 851 2HB GLU 33 HBS GLU 33 -5.378 -4.518 -1.533 852 1HG GLU 33 HGS GLU 33 -7.474 -2.413 -1.623 853 2HG GLU 33 HGR GLU 33 -7.464 -3.618 -2.939 854 H GLU 34 HN GLU 34 -4.644 -4.825 0.816 855 HA GLU 34 HA GLU 34 -6.773 -4.909 2.658 856 1HB GLU 34 HBR GLU 34 -3.976 -5.951 2.494 857 2HB GLU 34 HBS GLU 34 -4.725 -5.956 3.995 858 1HG GLU 34 HGS GLU 34 -6.588 -6.966 2.054 859 2HG GLU 34 HGR GLU 34 -5.112 -7.969 2.033 860 H MET 35 HN MET 35 -3.473 -3.554 3.034 861 HA MET 35 HA MET 35 -3.822 -2.336 5.500 862 1HB MET 35 HBS MET 35 -2.174 -1.258 3.193 863 2HB MET 35 HBR MET 35 -1.973 -0.892 4.930 864 1HG MET 35 HGS MET 35 -1.507 -3.310 5.353 865 2HG MET 35 HGR MET 35 -1.656 -3.615 3.605 866 1HE MET 35 HME MET 35 0.390 -2.944 6.425 867 2HE MET 35 HME MET 35 1.919 -2.193 5.900 868 3HE MET 35 HME MET 35 0.488 -1.177 6.212 869 H GLY 36 HN GLY 36 -4.693 -1.128 2.278 870 1HA GLY 36 HAR GLY 36 -5.224 1.502 2.917 871 2HA GLY 36 HAS GLY 36 -6.051 0.617 1.604 872 H ARG 37 HN ARG 37 -7.500 -1.257 2.997 873 HA ARG 37 HA ARG 37 -9.734 0.080 4.075 874 1HB ARG 37 HBR ARG 37 -8.965 -2.605 3.545 875 2HB ARG 37 HBS ARG 37 -9.511 -2.528 5.245 876 1HG ARG 37 HGS ARG 37 -11.458 -1.087 3.949 877 2HG ARG 37 HGR ARG 37 -11.046 -2.334 2.738 878 1HD ARG 37 HDS ARG 37 -12.446 -3.633 3.858 879 2HD ARG 37 HDR ARG 37 -11.134 -3.771 5.061 880 HE ARG 37 HE ARG 37 -13.522 -2.027 5.264 881 1HH1 ARG 37 HH1 ARG 37 -10.477 -3.123 6.666 882 2HH1 ARG 37 HH1 ARG 37 -10.962 -2.747 8.285 883 1HH2 ARG 37 HH2 ARG 37 -14.169 -1.670 7.408 884 2HH2 ARG 37 HH2 ARG 37 -13.051 -1.923 8.705 885 H ASP 38 HN ASP 38 -6.986 -1.531 5.689 886 HA ASP 38 HA ASP 38 -8.144 -1.227 8.238 887 1HB ASP 38 HBS ASP 38 -6.351 -2.896 7.229 888 2HB ASP 38 HBR ASP 38 -5.235 -1.770 8.052 889 H ILE 39 HN ILE 39 -5.587 0.595 6.597 890 HA ILE 39 HA ILE 39 -4.975 2.353 8.814 891 HB ILE 39 HB ILE 39 -4.673 2.941 5.835 892 1HG1 ILE 39 HG1 ILE 39 -2.534 1.594 7.498 893 2HG1 ILE 39 HG1 ILE 39 -3.789 0.643 6.653 894 1HG2 ILE 39 HMG ILE 39 -4.256 4.819 7.361 895 2HG2 ILE 39 HMG ILE 39 -3.022 3.846 8.205 896 3HG2 ILE 39 HMG ILE 39 -2.783 4.303 6.496 897 1HD1 ILE 39 HMD ILE 39 -2.055 2.661 5.223 898 2HD1 ILE 39 HMD ILE 39 -1.556 0.965 5.458 899 3HD1 ILE 39 HMD ILE 39 -3.033 1.340 4.531 900 H ALA 40 HN ALA 40 -7.463 2.096 6.378 901 HA ALA 40 HA ALA 40 -8.351 4.813 6.351 902 1HB ALA 40 HMB ALA 40 -8.947 3.129 4.648 903 2HB ALA 40 HMB ALA 40 -9.938 2.277 5.858 904 3HB ALA 40 HMB ALA 40 -10.371 3.932 5.360 905 H SER 41 HN SER 41 -9.966 1.978 7.839 906 HA SER 41 HA SER 41 -11.609 3.517 9.563 907 1HB SER 41 HBS SER 41 -11.775 1.026 8.840 908 2HB SER 41 HBR SER 41 -10.749 0.725 10.273 909 HG SER 41 HG SER 41 -12.201 1.809 11.608 910 H GLU 42 HN GLU 42 -8.274 2.775 9.689 911 HA GLU 42 HA GLU 42 -8.015 3.266 12.532 912 1HB GLU 42 HBR GLU 42 -6.284 2.712 10.167 913 2HB GLU 42 HBS GLU 42 -5.582 3.544 11.444 914 1HG GLU 42 HGS GLU 42 -5.435 0.956 11.437 915 2HG GLU 42 HGR GLU 42 -5.651 1.795 12.997 916 H ALA 43 HN ALA 43 -7.389 5.092 9.531 917 HA ALA 43 HA ALA 43 -6.675 7.536 10.912 918 1HB ALA 43 HMB ALA 43 -7.314 6.755 8.083 919 2HB ALA 43 HMB ALA 43 -7.238 8.472 8.554 920 3HB ALA 43 HMB ALA 43 -5.814 7.423 8.777 921 H ILE 44 HN ILE 44 -9.597 5.877 10.209 922 HA ILE 44 HA ILE 44 -11.250 8.254 10.091 923 HB ILE 44 HB ILE 44 -11.805 5.253 10.053 924 1HG1 ILE 44 HG1 ILE 44 -12.285 7.273 7.852 925 2HG1 ILE 44 HG1 ILE 44 -10.673 6.556 8.136 926 1HG2 ILE 44 HMG ILE 44 -13.801 7.514 9.981 927 2HG2 ILE 44 HMG ILE 44 -14.127 5.913 9.263 928 3HG2 ILE 44 HMG ILE 44 -13.790 6.056 11.009 929 1HD1 ILE 44 HMD ILE 44 -12.184 4.313 8.055 930 2HD1 ILE 44 HMD ILE 44 -13.123 5.367 6.964 931 3HD1 ILE 44 HMD ILE 44 -11.404 5.038 6.625 932 H LYS 45 HN LYS 45 -11.029 5.466 12.338 933 HA LYS 45 HA LYS 45 -12.337 6.636 14.546 934 1HB LYS 45 HBR LYS 45 -10.779 4.316 14.051 935 2HB LYS 45 HBS LYS 45 -10.036 5.163 15.438 936 1HG LYS 45 HGR LYS 45 -12.714 5.275 16.068 937 2HG LYS 45 HGS LYS 45 -12.588 3.692 15.249 938 1HD LYS 45 HDS LYS 45 -10.686 4.496 17.434 939 2HD LYS 45 HDR LYS 45 -12.265 3.852 17.792 940 1HE LYS 45 HES LYS 45 -11.226 1.876 17.763 941 2HE LYS 45 HER LYS 45 -11.450 2.027 15.997 942 1HZ LYS 45 HZA LYS 45 -9.163 3.372 16.545 943 2HZ LYS 45 HZB LYS 45 -9.061 2.051 17.499 944 3HZ LYS 45 HZC LYS 45 -9.272 1.881 15.888 945 H LEU 46 HN LEU 46 -9.100 7.083 13.233 946 HA LEU 46 HA LEU 46 -8.079 8.842 15.258 947 1HB LEU 46 HBR LEU 46 -7.481 7.991 12.503 948 2HB LEU 46 HBS LEU 46 -6.991 9.666 12.882 949 HG LEU 46 HG LEU 46 -6.192 7.395 14.683 950 1HD1 LEU 46 HMD LEU 46 -5.039 8.165 12.006 951 2HD1 LEU 46 HMD LEU 46 -3.996 7.533 13.305 952 3HD1 LEU 46 HMD LEU 46 -5.342 6.546 12.683 953 1HD2 LEU 46 HMD LEU 46 -5.993 10.023 14.987 954 2HD2 LEU 46 HMD LEU 46 -4.688 8.924 15.502 955 3HD2 LEU 46 HMD LEU 46 -4.559 9.796 13.953 956 H ALA 47 HN ALA 47 -9.985 9.322 12.279 957 HA ALA 47 HA ALA 47 -9.935 12.174 12.409 958 1HB ALA 47 HMB ALA 47 -10.644 10.282 10.549 959 2HB ALA 47 HMB ALA 47 -12.218 10.974 11.015 960 3HB ALA 47 HMB ALA 47 -10.921 12.038 10.415 961 H ARG 48 HN ARG 48 -11.770 9.775 14.055 962 HA ARG 48 HA ARG 48 -13.927 11.534 14.936 963 1HB ARG 48 HBR ARG 48 -13.485 8.805 15.047 964 2HB ARG 48 HBS ARG 48 -13.175 9.336 16.725 965 1HG ARG 48 HGS ARG 48 -15.410 8.957 16.894 966 2HG ARG 48 HGR ARG 48 -15.472 10.644 16.310 967 1HD ARG 48 HDS ARG 48 -15.323 8.550 14.238 968 2HD ARG 48 HDR ARG 48 -16.825 8.600 15.202 969 HE ARG 48 HE ARG 48 -15.852 10.644 13.331 970 1HH1 ARG 48 HH1 ARG 48 -18.319 9.544 15.596 971 2HH1 ARG 48 HH1 ARG 48 -19.396 10.849 15.226 972 1HH2 ARG 48 HH2 ARG 48 -17.232 12.405 12.967 973 2HH2 ARG 48 HH2 ARG 48 -18.784 12.466 13.736 974 H HIS 49 HN HIS 49 -10.817 10.330 16.216 975 HA HIS 49 HA HIS 49 -10.676 11.947 18.515 976 1HB HIS 49 HBS HIS 49 -9.025 10.126 17.937 977 2HB HIS 49 HBR HIS 49 -8.300 11.241 16.743 978 HD1 HIS 49 HD1 HIS 49 -9.479 12.439 20.164 979 HD2 HIS 49 HD2 HIS 49 -5.947 11.618 18.115 980 HE1 HIS 49 HE1 HIS 49 -7.629 13.459 21.510 981 HE2 HIS 49 HE2 HIS 49 -5.491 12.989 20.261 982 H ALA 50 HN ALA 50 -9.937 12.652 15.123 983 HA ALA 50 HA ALA 50 -8.969 15.231 15.365 984 1HB ALA 50 HMB ALA 50 -9.475 13.676 13.297 985 2HB ALA 50 HMB ALA 50 -10.964 14.652 13.216 986 3HB ALA 50 HMB ALA 50 -9.372 15.447 13.129 987 H GLY 51 HN GLY 51 -12.379 14.177 15.253 988 1HA GLY 51 HAR GLY 51 -14.123 15.369 16.417 989 2HA GLY 51 HAS GLY 51 -13.202 16.881 16.197 990 H ARG 52 HN ARG 52 -13.702 14.406 13.712 991 HA ARG 52 HA ARG 52 -15.073 14.268 11.870 992 1HB ARG 52 HBR ARG 52 -16.896 15.032 13.500 993 2HB ARG 52 HBS ARG 52 -16.617 16.675 12.852 994 1HG ARG 52 HGS ARG 52 -16.965 14.746 10.709 995 2HG ARG 52 HGR ARG 52 -18.345 14.708 11.842 996 1HD ARG 52 HDS ARG 52 -17.251 17.031 10.275 997 2HD ARG 52 HDR ARG 52 -18.881 16.302 10.210 998 HE ARG 52 HE ARG 52 -18.545 17.206 12.824 999 1HH1 ARG 52 HH1 ARG 52 -18.244 18.738 9.663 1000 2HH1 ARG 52 HH1 ARG 52 -18.950 20.227 10.197 1001 1HH2 ARG 52 HH2 ARG 52 -19.580 19.121 13.452 1002 2HH2 ARG 52 HH2 ARG 52 -19.704 20.445 12.341 1003 H LYS 53 HN LYS 53 -12.753 16.207 12.445 1004 HA LYS 53 HA LYS 53 -13.051 17.987 10.091 1005 1HB LYS 53 HBR LYS 53 -11.716 18.508 12.316 1006 2HB LYS 53 HBS LYS 53 -10.448 17.542 11.509 1007 1HG LYS 53 HGR LYS 53 -11.431 19.381 9.578 1008 2HG LYS 53 HGS LYS 53 -11.190 20.300 11.091 1009 1HD LYS 53 HDS LYS 53 -9.026 20.360 10.776 1010 2HD LYS 53 HDR LYS 53 -8.966 18.619 10.818 1011 1HE LYS 53 HES LYS 53 -8.410 18.534 8.690 1012 2HE LYS 53 HER LYS 53 -9.936 19.360 8.264 1013 1HZ LYS 53 HZA LYS 53 -7.954 21.111 9.301 1014 2HZ LYS 53 HZB LYS 53 -7.468 20.365 7.933 1015 3HZ LYS 53 HZC LYS 53 -8.849 21.238 7.941 1016 H THR 54 HN THR 54 -12.035 17.603 8.193 1017 HA THR 54 HA THR 54 -12.007 14.931 7.415 1018 HB THR 54 HB THR 54 -12.398 16.965 5.910 1019 HG1 THR 54 HG1 THR 54 -11.937 15.952 4.372 1020 1HG2 THR 54 HMG THR 54 -9.370 17.006 5.830 1021 2HG2 THR 54 HMG THR 54 -10.432 17.801 4.640 1022 3HG2 THR 54 HMG THR 54 -10.457 18.321 6.344 1023 H ILE 55 HN ILE 55 -10.157 13.934 6.105 1024 HA ILE 55 HA ILE 55 -8.086 13.520 8.159 1025 HB ILE 55 HB ILE 55 -8.925 11.842 5.743 1026 1HG1 ILE 55 HG1 ILE 55 -9.512 11.551 8.715 1027 2HG1 ILE 55 HG1 ILE 55 -10.666 12.034 7.440 1028 1HG2 ILE 55 HMG ILE 55 -6.529 11.712 7.211 1029 2HG2 ILE 55 HMG ILE 55 -7.538 10.350 7.768 1030 3HG2 ILE 55 HMG ILE 55 -7.167 10.534 6.033 1031 1HD1 ILE 55 HMD ILE 55 -9.300 9.431 7.044 1032 2HD1 ILE 55 HMD ILE 55 -10.450 9.523 8.404 1033 3HD1 ILE 55 HMD ILE 55 -10.993 9.907 6.748 1034 H LYS 56 HN LYS 56 -5.959 13.739 7.856 1035 HA LYS 56 HA LYS 56 -5.016 14.795 5.230 1036 1HB LYS 56 HBR LYS 56 -3.978 15.901 7.812 1037 2HB LYS 56 HBS LYS 56 -4.096 16.653 6.195 1038 1HG LYS 56 HGR LYS 56 -6.742 16.308 6.828 1039 2HG LYS 56 HGS LYS 56 -6.029 16.623 8.436 1040 1HD LYS 56 HDS LYS 56 -6.676 18.711 7.635 1041 2HD LYS 56 HDR LYS 56 -4.940 18.630 7.514 1042 1HE LYS 56 HES LYS 56 -4.988 18.309 5.162 1043 2HE LYS 56 HER LYS 56 -6.756 18.059 5.193 1044 1HZ LYS 56 HZA LYS 56 -5.934 20.535 6.323 1045 2HZ LYS 56 HZB LYS 56 -5.524 20.397 4.749 1046 3HZ LYS 56 HZC LYS 56 -7.084 20.229 5.204 1047 H ALA 57 HN ALA 57 -2.454 15.349 5.881 1048 HA ALA 57 HA ALA 57 -1.303 12.830 5.449 1049 1HB ALA 57 HMB ALA 57 -0.410 15.018 4.685 1050 2HB ALA 57 HMB ALA 57 0.112 15.351 6.357 1051 3HB ALA 57 HMB ALA 57 0.807 13.974 5.463 1052 H GLU 58 HN GLU 58 -1.010 14.967 8.314 1053 HA GLU 58 HA GLU 58 0.381 13.222 9.968 1054 1HB GLU 58 HBR GLU 58 -1.617 15.421 10.407 1055 2HB GLU 58 HBS GLU 58 -1.118 14.484 11.706 1056 1HG GLU 58 HGS GLU 58 1.316 14.918 10.884 1057 2HG GLU 58 HGR GLU 58 0.627 16.379 10.126 1058 H ASP 59 HN ASP 59 -3.002 13.219 9.052 1059 HA ASP 59 HA ASP 59 -3.987 11.603 11.199 1060 1HB ASP 59 HBS ASP 59 -5.034 12.331 8.488 1061 2HB ASP 59 HBR ASP 59 -5.832 11.084 9.489 1062 H ILE 60 HN ILE 60 -3.492 10.659 7.780 1063 HA ILE 60 HA ILE 60 -3.979 7.997 8.475 1064 HB ILE 60 HB ILE 60 -3.966 9.506 6.153 1065 1HG1 ILE 60 HG1 ILE 60 -4.310 6.699 5.549 1066 2HG1 ILE 60 HG1 ILE 60 -4.958 7.078 7.172 1067 1HG2 ILE 60 HMG ILE 60 -1.471 8.666 5.885 1068 2HG2 ILE 60 HMG ILE 60 -2.295 7.205 5.275 1069 3HG2 ILE 60 HMG ILE 60 -2.606 8.788 4.515 1070 1HD1 ILE 60 HMD ILE 60 -6.267 8.934 6.166 1071 2HD1 ILE 60 HMD ILE 60 -5.685 8.431 4.556 1072 3HD1 ILE 60 HMD ILE 60 -6.711 7.333 5.516 1073 H GLU 61 HN GLU 61 -0.934 9.724 8.026 1074 HA GLU 61 HA GLU 61 0.860 7.564 8.203 1075 1HB GLU 61 HBR GLU 61 0.864 10.465 8.943 1076 2HB GLU 61 HBS GLU 61 2.083 9.487 9.555 1077 1HG GLU 61 HGS GLU 61 2.082 8.664 6.945 1078 2HG GLU 61 HGR GLU 61 1.832 10.421 6.759 1079 H LEU 62 HN LEU 62 -0.782 9.441 10.757 1080 HA LEU 62 HA LEU 62 0.158 7.971 12.996 1081 1HB LEU 62 HBR LEU 62 -1.897 9.915 12.309 1082 2HB LEU 62 HBS LEU 62 -2.477 8.728 13.510 1083 HG LEU 62 HG LEU 62 -0.225 9.339 14.726 1084 1HD1 LEU 62 HMD LEU 62 0.300 10.885 12.680 1085 2HD1 LEU 62 HMD LEU 62 -0.828 12.008 13.480 1086 3HD1 LEU 62 HMD LEU 62 0.635 11.455 14.334 1087 1HD2 LEU 62 HMD LEU 62 -2.862 10.782 14.592 1088 2HD2 LEU 62 HMD LEU 62 -2.233 9.679 15.842 1089 3HD2 LEU 62 HMD LEU 62 -1.591 11.336 15.713 1090 H ALA 63 HN ALA 63 -2.761 7.543 10.968 1091 HA ALA 63 HA ALA 63 -3.750 5.289 12.183 1092 1HB ALA 63 HMB ALA 63 -4.594 6.784 10.185 1093 2HB ALA 63 HMB ALA 63 -3.913 5.462 9.202 1094 3HB ALA 63 HMB ALA 63 -5.177 5.114 10.409 1095 H VAL 64 HN VAL 64 -0.873 5.536 10.341 1096 HA VAL 64 HA VAL 64 -1.044 2.723 9.549 1097 HB VAL 64 HB VAL 64 -0.777 5.018 8.175 1098 1HG1 VAL 64 HMG VAL 64 2.065 4.006 8.419 1099 2HG1 VAL 64 HMG VAL 64 1.477 5.011 7.073 1100 3HG1 VAL 64 HMG VAL 64 1.429 5.637 8.738 1101 1HG2 VAL 64 HMG VAL 64 -0.859 2.289 7.611 1102 2HG2 VAL 64 HMG VAL 64 -1.103 3.652 6.491 1103 3HG2 VAL 64 HMG VAL 64 0.509 2.914 6.657 1104 H ARG 65 HN ARG 65 1.593 4.973 10.485 1105 HA ARG 65 HA ARG 65 3.310 3.075 11.662 1106 1HB ARG 65 HBR ARG 65 4.256 4.865 12.938 1107 2HB ARG 65 HBS ARG 65 3.880 5.459 11.295 1108 1HG ARG 65 HGS ARG 65 2.507 7.047 12.068 1109 2HG ARG 65 HGR ARG 65 1.710 5.929 13.210 1110 1HD ARG 65 HDS ARG 65 2.871 7.822 14.292 1111 2HD ARG 65 HDR ARG 65 3.456 6.214 14.807 1112 HE ARG 65 HE ARG 65 5.077 7.108 12.674 1113 1HH1 ARG 65 HH1 ARG 65 4.272 8.243 15.913 1114 2HH1 ARG 65 HH1 ARG 65 5.879 8.803 16.234 1115 1HH2 ARG 65 HH2 ARG 65 7.196 7.735 13.179 1116 2HH2 ARG 65 HH2 ARG 65 7.534 8.517 14.687 1117 H ARG 66 HN ARG 66 0.176 4.111 12.609 1118 HA ARG 66 HA ARG 66 0.337 2.858 15.245 1119 1HB ARG 66 HBR ARG 66 -1.283 4.687 14.680 1120 2HB ARG 66 HBS ARG 66 -2.136 3.527 13.621 1121 1HG ARG 66 HGS ARG 66 -3.205 2.589 15.345 1122 2HG ARG 66 HGR ARG 66 -1.711 2.481 16.319 1123 1HD ARG 66 HDS ARG 66 -3.259 5.033 15.914 1124 2HD ARG 66 HDR ARG 66 -3.555 3.900 17.263 1125 HE ARG 66 HE ARG 66 -0.900 4.340 17.492 1126 1HH1 ARG 66 HH1 ARG 66 -3.705 6.471 17.333 1127 2HH1 ARG 66 HH1 ARG 66 -2.879 7.793 18.086 1128 1HH2 ARG 66 HH2 ARG 66 0.189 6.139 18.339 1129 2HH2 ARG 66 HH2 ARG 66 -0.676 7.606 18.658 1130 H PHE 67 HN PHE 67 -1.685 2.088 12.385 1131 HA PHE 67 HA PHE 67 -2.674 -0.080 13.677 1132 1HB PHE 67 HBR PHE 67 -4.007 -0.591 11.849 1133 2HB PHE 67 HBS PHE 67 -3.632 1.131 11.602 1134 HD1 PHE 67 HD1 PHE 67 -1.079 1.139 10.399 1135 HD2 PHE 67 HD2 PHE 67 -4.278 -1.589 9.714 1136 HE1 PHE 67 HE1 PHE 67 -0.125 0.605 8.203 1137 HE2 PHE 67 HE2 PHE 67 -3.381 -2.083 7.463 1138 HZ PHE 67 HZ PHE 67 -1.242 -1.049 6.754 1139 H LYS 68 HN LYS 68 0.192 0.012 11.707 1140 HA LYS 68 HA LYS 68 0.899 -2.598 12.824 1141 1HB LYS 68 HBR LYS 68 0.527 -2.150 9.903 1142 2HB LYS 68 HBS LYS 68 2.017 -2.994 10.413 1143 1HG LYS 68 HGR LYS 68 -0.711 -3.867 11.394 1144 2HG LYS 68 HGS LYS 68 -0.058 -4.420 9.826 1145 1HD LYS 68 HDS LYS 68 1.294 -5.887 10.760 1146 2HD LYS 68 HDR LYS 68 1.918 -4.705 11.877 1147 1HE LYS 68 HES LYS 68 -0.472 -5.131 13.028 1148 2HE LYS 68 HER LYS 68 -0.193 -6.716 12.251 1149 1HZ LYS 68 HZB LYS 68 1.959 -5.500 13.776 1150 2HZ LYS 68 HZC LYS 68 0.734 -6.211 14.590 1151 3HZ LYS 68 HZA LYS 68 1.623 -7.080 13.530 1152 H LYS 69 HN LYS 69 2.594 -1.985 13.952 1153 HA LYS 69 HA LYS 69 4.697 -0.320 12.655 1154 1HB LYS 69 HBR LYS 69 3.781 -0.627 15.411 1155 2HB LYS 69 HBS LYS 69 5.535 -0.921 15.237 1156 1HG LYS 69 HGR LYS 69 4.801 1.423 13.723 1157 2HG LYS 69 HGS LYS 69 4.176 1.571 15.391 1158 1HD LYS 69 HDS LYS 69 6.428 1.020 16.249 1159 2HD LYS 69 HDR LYS 69 7.018 0.961 14.611 1160 1HE LYS 69 HES LYS 69 5.752 3.413 15.825 1161 2HE LYS 69 HER LYS 69 7.506 3.074 15.791 1162 1HZ LYS 69 HZA LYS 69 6.122 2.882 13.276 1163 2HZ LYS 69 HZB LYS 69 6.252 4.388 13.897 1164 3HZ LYS 69 HZC LYS 69 7.595 3.500 13.617 No H/Q in entry = 1164 Start of MODEL 26 Raw file had 1198 H/Q atoms Start of MODEL 26 1 1H MET 1 HNC MET 1 5.122 9.486 -9.923 2 2H MET 1 HNB MET 1 4.875 11.094 -9.785 3 3H MET 1 HN MET 1 6.128 10.392 -9.009 4 HA MET 1 HA MET 1 4.929 9.538 -7.370 5 1HB MET 1 HBS MET 1 3.581 12.036 -8.375 6 2HB MET 1 HBR MET 1 2.958 11.180 -6.935 7 1HG MET 1 HGS MET 1 5.055 11.459 -5.771 8 2HG MET 1 HGR MET 1 5.861 12.021 -7.255 9 1HE MET 1 HME MET 1 6.709 14.147 -6.470 10 2HE MET 1 HME MET 1 5.821 15.494 -5.715 11 3HE MET 1 HME MET 1 6.146 14.010 -4.785 12 H GLU 2 HN GLU 2 3.194 8.320 -6.658 13 HA GLU 2 HA GLU 2 1.596 7.179 -8.909 14 1HB GLU 2 HBR GLU 2 2.988 5.865 -6.565 15 2HB GLU 2 HBS GLU 2 1.996 5.092 -7.676 16 1HG GLU 2 HGS GLU 2 4.281 6.640 -8.777 17 2HG GLU 2 HGR GLU 2 4.634 5.023 -8.110 18 H LEU 3 HN LEU 3 0.214 5.283 -7.512 19 HA LEU 3 HA LEU 3 -1.931 5.112 -6.780 20 1HB LEU 3 HBS LEU 3 -0.154 6.291 -4.689 21 2HB LEU 3 HBR LEU 3 -1.862 5.889 -4.314 22 HG LEU 3 HG LEU 3 -1.433 3.607 -5.167 23 1HD1 LEU 3 HMD LEU 3 1.236 4.857 -5.566 24 2HD1 LEU 3 HMD LEU 3 1.168 3.123 -5.157 25 3HD1 LEU 3 HMD LEU 3 0.309 3.735 -6.593 26 1HD2 LEU 3 HMD LEU 3 -1.200 4.354 -2.693 27 2HD2 LEU 3 HMD LEU 3 -0.442 2.809 -3.148 28 3HD2 LEU 3 HMD LEU 3 0.557 4.271 -2.967 29 HA PRO 4 HA PRO 4 -3.717 9.199 -7.934 30 1HB PRO 4 HBR PRO 4 -5.716 7.697 -9.111 31 2HB PRO 4 HBS PRO 4 -4.691 8.744 -9.850 32 1HG PRO 4 HGS PRO 4 -4.673 6.094 -10.139 33 2HG PRO 4 HGR PRO 4 -3.464 7.128 -10.640 34 1HD PRO 4 HDS PRO 4 -3.490 5.419 -8.408 35 2HD PRO 4 HDR PRO 4 -2.188 6.106 -9.163 36 H ILE 5 HN ILE 5 -5.423 10.278 -7.075 37 HA ILE 5 HA ILE 5 -5.814 9.373 -4.415 38 HB ILE 5 HB ILE 5 -7.269 11.444 -4.227 39 1HG1 ILE 5 HG1 ILE 5 -6.833 12.927 -6.461 40 2HG1 ILE 5 HG1 ILE 5 -6.955 11.298 -7.184 41 1HG2 ILE 5 HMG ILE 5 -4.472 11.595 -5.314 42 2HG2 ILE 5 HMG ILE 5 -5.379 13.070 -4.891 43 3HG2 ILE 5 HMG ILE 5 -5.059 11.833 -3.647 44 1HD1 ILE 5 HMD ILE 5 -9.116 11.245 -5.571 45 2HD1 ILE 5 HMD ILE 5 -9.031 12.994 -5.911 46 3HD1 ILE 5 HMD ILE 5 -9.152 11.828 -7.256 47 H ALA 6 HN ALA 6 -7.574 8.800 -7.294 48 HA ALA 6 HA ALA 6 -10.127 8.268 -6.154 49 1HB ALA 6 HMB ALA 6 -8.885 8.149 -8.713 50 2HB ALA 6 HMB ALA 6 -9.645 6.568 -8.396 51 3HB ALA 6 HMB ALA 6 -10.618 8.059 -8.307 52 HA PRO 7 HA PRO 7 -8.549 3.690 -6.066 53 1HB PRO 7 HBR PRO 7 -5.810 3.607 -6.014 54 2HB PRO 7 HBS PRO 7 -6.792 2.989 -7.176 55 1HG PRO 7 HGS PRO 7 -5.271 5.304 -7.270 56 2HG PRO 7 HGR PRO 7 -6.003 4.496 -8.533 57 1HD PRO 7 HDS PRO 7 -6.841 6.829 -7.553 58 2HD PRO 7 HDR PRO 7 -7.772 5.805 -8.458 59 H ILE 8 HN ILE 8 -6.622 6.068 -4.492 60 HA ILE 8 HA ILE 8 -6.354 4.781 -1.987 61 HB ILE 8 HB ILE 8 -6.656 7.757 -2.626 62 1HG1 ILE 8 HG1 ILE 8 -4.877 6.398 -3.858 63 2HG1 ILE 8 HG1 ILE 8 -4.344 7.872 -3.002 64 1HG2 ILE 8 HMG ILE 8 -5.906 6.300 -0.132 65 2HG2 ILE 8 HMG ILE 8 -5.072 7.830 -0.516 66 3HG2 ILE 8 HMG ILE 8 -6.849 7.798 -0.359 67 1HD1 ILE 8 HMD ILE 8 -4.112 5.106 -1.800 68 2HD1 ILE 8 HMD ILE 8 -2.840 5.847 -2.805 69 3HD1 ILE 8 HMD ILE 8 -3.327 6.617 -1.272 70 H GLY 9 HN GLY 9 -8.608 7.478 -2.645 71 1HA GLY 9 HAS GLY 9 -10.022 7.150 -0.290 72 2HA GLY 9 HAR GLY 9 -10.650 8.015 -1.718 73 H ARG 10 HN ARG 10 -10.302 5.365 -3.244 74 HA ARG 10 HA ARG 10 -12.926 4.287 -2.752 75 1HB ARG 10 HBS ARG 10 -10.638 3.563 -4.578 76 2HB ARG 10 HBR ARG 10 -12.038 2.470 -4.378 77 1HG ARG 10 HGS ARG 10 -13.113 5.036 -4.849 78 2HG ARG 10 HGR ARG 10 -11.765 4.844 -6.006 79 1HD ARG 10 HDS ARG 10 -13.196 2.397 -5.896 80 2HD ARG 10 HDR ARG 10 -14.376 3.725 -6.079 81 HE ARG 10 HE ARG 10 -12.515 2.776 -8.061 82 1HH1 ARG 10 HH1 ARG 10 -13.873 5.790 -6.835 83 2HH1 ARG 10 HH1 ARG 10 -13.920 6.532 -8.399 84 1HH2 ARG 10 HH2 ARG 10 -12.713 3.731 -10.107 85 2HH2 ARG 10 HH2 ARG 10 -13.263 5.368 -10.251 86 H ILE 11 HN ILE 11 -9.601 3.255 -2.050 87 HA ILE 11 HA ILE 11 -10.255 0.850 -0.618 88 HB ILE 11 HB ILE 11 -7.920 2.809 -0.397 89 1HG1 ILE 11 HG1 ILE 11 -8.353 1.563 -2.570 90 2HG1 ILE 11 HG1 ILE 11 -6.727 1.392 -1.851 91 1HG2 ILE 11 HMG ILE 11 -8.637 0.751 1.414 92 2HG2 ILE 11 HMG ILE 11 -7.212 0.193 0.497 93 3HG2 ILE 11 HMG ILE 11 -7.155 1.742 1.378 94 1HD1 ILE 11 HMD ILE 11 -8.744 -0.678 -1.140 95 2HD1 ILE 11 HMD ILE 11 -8.125 -0.679 -2.813 96 3HD1 ILE 11 HMD ILE 11 -6.992 -0.826 -1.442 97 H ILE 12 HN ILE 12 -9.528 4.182 0.496 98 HA ILE 12 HA ILE 12 -10.009 3.616 3.206 99 HB ILE 12 HB ILE 12 -10.308 6.372 1.932 100 1HG1 ILE 12 HG1 ILE 12 -8.371 5.503 0.890 101 2HG1 ILE 12 HG1 ILE 12 -7.801 6.565 2.207 102 1HG2 ILE 12 HMG ILE 12 -10.514 5.648 4.540 103 2HG2 ILE 12 HMG ILE 12 -8.779 6.044 4.425 104 3HG2 ILE 12 HMG ILE 12 -10.003 7.256 3.962 105 1HD1 ILE 12 HMD ILE 12 -8.037 3.571 2.538 106 2HD1 ILE 12 HMD ILE 12 -6.576 4.354 1.876 107 3HD1 ILE 12 HMD ILE 12 -7.123 4.738 3.530 108 H LYS 13 HN LYS 13 -12.179 4.482 0.611 109 HA LYS 13 HA LYS 13 -14.488 4.967 2.288 110 1HB LYS 13 HBS LYS 13 -14.247 5.734 -0.097 111 2HB LYS 13 HBR LYS 13 -14.442 4.030 -0.597 112 1HG LYS 13 HGR LYS 13 -16.595 4.571 1.152 113 2HG LYS 13 HGS LYS 13 -16.460 5.998 0.087 114 1HD LYS 13 HDS LYS 13 -17.169 4.914 -1.711 115 2HD LYS 13 HDR LYS 13 -16.179 3.521 -1.375 116 1HE LYS 13 HES LYS 13 -17.989 3.124 0.532 117 2HE LYS 13 HER LYS 13 -18.981 4.069 -0.614 118 1HZ LYS 13 HZA LYS 13 -17.451 1.664 -1.333 119 2HZ LYS 13 HZB LYS 13 -19.050 1.676 -1.000 120 3HZ LYS 13 HZC LYS 13 -18.480 2.490 -2.296 121 H ASP 14 HN ASP 14 -13.073 2.162 0.616 122 HA ASP 14 HA ASP 14 -14.926 0.286 1.246 123 1HB ASP 14 HBS ASP 14 -12.814 0.049 -0.121 124 2HB ASP 14 HBR ASP 14 -11.988 -0.314 1.421 125 H ALA 15 HN ALA 15 -12.385 1.523 3.363 126 HA ALA 15 HA ALA 15 -13.000 0.197 5.734 127 1HB ALA 15 HMB ALA 15 -11.345 2.208 5.044 128 2HB ALA 15 HMB ALA 15 -12.601 3.127 5.913 129 3HB ALA 15 HMB ALA 15 -11.749 1.792 6.730 130 H GLY 16 HN GLY 16 -14.599 3.032 4.285 131 1HA GLY 16 HAR GLY 16 -17.008 3.343 4.876 132 2HA GLY 16 HAS GLY 16 -16.533 3.061 6.572 133 H ALA 17 HN ALA 17 -14.414 4.815 4.413 134 HA ALA 17 HA ALA 17 -14.298 7.025 6.146 135 1HB ALA 17 HMB ALA 17 -13.321 6.641 3.306 136 2HB ALA 17 HMB ALA 17 -12.890 8.022 4.345 137 3HB ALA 17 HMB ALA 17 -12.419 6.370 4.817 138 H GLU 18 HN GLU 18 -15.307 8.903 6.257 139 HA GLU 18 HA GLU 18 -17.389 9.521 4.264 140 1HB GLU 18 HBS GLU 18 -16.708 10.984 6.759 141 2HB GLU 18 HBR GLU 18 -18.195 10.991 5.981 142 1HG GLU 18 HGS GLU 18 -17.966 8.327 6.513 143 2HG GLU 18 HGR GLU 18 -16.973 8.942 7.861 144 H ARG 19 HN ARG 19 -15.895 10.145 2.593 145 HA ARG 19 HA ARG 19 -14.693 11.632 1.333 146 1HB ARG 19 HBS ARG 19 -15.346 13.628 3.526 147 2HB ARG 19 HBR ARG 19 -14.568 13.998 1.960 148 1HG ARG 19 HGS ARG 19 -17.359 12.850 2.295 149 2HG ARG 19 HGR ARG 19 -16.981 14.575 2.024 150 1HD ARG 19 HDS ARG 19 -16.245 14.212 -0.126 151 2HD ARG 19 HDR ARG 19 -15.938 12.476 0.162 152 HE ARG 19 HE ARG 19 -18.736 13.375 0.284 153 1HH1 ARG 19 HH1 ARG 19 -16.201 11.565 -1.368 154 2HH1 ARG 19 HH1 ARG 19 -17.288 10.903 -2.542 155 1HH2 ARG 19 HH2 ARG 19 -20.104 12.589 -1.343 156 2HH2 ARG 19 HH2 ARG 19 -19.497 11.481 -2.528 157 H VAL 20 HN VAL 20 -12.586 11.658 1.107 158 HA VAL 20 HA VAL 20 -10.903 12.115 3.513 159 HB VAL 20 HB VAL 20 -10.250 10.453 1.070 160 1HG1 VAL 20 HMG VAL 20 -8.420 11.900 2.461 161 2HG1 VAL 20 HMG VAL 20 -8.413 10.374 3.377 162 3HG1 VAL 20 HMG VAL 20 -8.079 10.364 1.629 163 1HG2 VAL 20 HMG VAL 20 -11.787 9.434 2.777 164 2HG2 VAL 20 HMG VAL 20 -10.274 8.545 2.474 165 3HG2 VAL 20 HMG VAL 20 -10.445 9.538 3.943 166 H SER 21 HN SER 21 -9.835 13.926 3.519 167 HA SER 21 HA SER 21 -10.070 15.842 1.373 168 1HB SER 21 HBS SER 21 -9.943 16.729 3.545 169 2HB SER 21 HBR SER 21 -8.478 15.786 3.943 170 HG SER 21 HG SER 21 -8.910 18.021 2.150 171 H ASP 22 HN ASP 22 -8.436 16.670 0.074 172 HA ASP 22 HA ASP 22 -7.125 14.610 -1.271 173 1HB ASP 22 HBS ASP 22 -6.327 16.212 -2.796 174 2HB ASP 22 HBR ASP 22 -7.959 16.714 -2.267 175 H ASP 23 HN ASP 23 -6.119 16.369 1.462 176 HA ASP 23 HA ASP 23 -3.296 15.867 1.241 177 1HB ASP 23 HBR ASP 23 -5.083 17.039 3.166 178 2HB ASP 23 HBS ASP 23 -3.937 15.916 3.953 179 H ALA 24 HN ALA 24 -5.851 14.234 3.148 180 HA ALA 24 HA ALA 24 -4.290 12.114 3.978 181 1HB ALA 24 HMB ALA 24 -7.192 12.643 3.720 182 2HB ALA 24 HMB ALA 24 -6.712 10.935 3.890 183 3HB ALA 24 HMB ALA 24 -6.225 12.124 5.124 184 H ARG 25 HN ARG 25 -6.367 12.293 1.080 185 HA ARG 25 HA ARG 25 -5.996 9.701 0.157 186 1HB ARG 25 HBR ARG 25 -7.339 11.898 -0.743 187 2HB ARG 25 HBS ARG 25 -6.039 11.759 -1.962 188 1HG ARG 25 HGS ARG 25 -7.153 10.138 -2.995 189 2HG ARG 25 HGR ARG 25 -7.147 9.156 -1.502 190 1HD ARG 25 HDS ARG 25 -9.380 9.355 -1.865 191 2HD ARG 25 HDR ARG 25 -9.090 10.770 -0.816 192 HE ARG 25 HE ARG 25 -8.980 11.199 -3.727 193 1HH1 ARG 25 HH1 ARG 25 -10.991 11.256 -0.833 194 2HH1 ARG 25 HH1 ARG 25 -12.006 12.526 -1.430 195 1HH2 ARG 25 HH2 ARG 25 -10.248 12.946 -4.421 196 2HH2 ARG 25 HH2 ARG 25 -11.587 13.482 -3.461 197 H ILE 26 HN ILE 26 -4.123 12.623 -0.728 198 HA ILE 26 HA ILE 26 -2.280 11.144 -2.335 199 HB ILE 26 HB ILE 26 -2.123 13.979 -1.199 200 1HG1 ILE 26 HG1 ILE 26 -2.956 13.166 -3.999 201 2HG1 ILE 26 HG1 ILE 26 -4.120 13.264 -2.649 202 1HG2 ILE 26 HMG ILE 26 -0.233 12.454 -2.796 203 2HG2 ILE 26 HMG ILE 26 -0.762 13.947 -3.615 204 3HG2 ILE 26 HMG ILE 26 -0.048 14.032 -1.983 205 1HD1 ILE 26 HMD ILE 26 -3.244 15.672 -2.344 206 2HD1 ILE 26 HMD ILE 26 -2.562 15.473 -3.980 207 3HD1 ILE 26 HMD ILE 26 -4.321 15.325 -3.724 208 H THR 27 HN THR 27 -2.434 11.954 1.041 209 HA THR 27 HA THR 27 0.299 11.455 1.758 210 HB THR 27 HB THR 27 -2.308 11.156 3.349 211 HG1 THR 27 HG1 THR 27 -1.936 12.939 2.660 212 1HG2 THR 27 HMG THR 27 0.043 9.957 4.074 213 2HG2 THR 27 HMG THR 27 0.181 11.550 4.862 214 3HG2 THR 27 HMG THR 27 -1.225 10.507 5.200 215 H LEU 28 HN LEU 28 -2.622 9.377 1.802 216 HA LEU 28 HA LEU 28 -1.110 7.107 2.668 217 1HB LEU 28 HBS LEU 28 -3.475 7.734 3.225 218 2HB LEU 28 HBR LEU 28 -3.934 7.229 1.573 219 HG LEU 28 HG LEU 28 -3.430 4.955 2.034 220 1HD1 LEU 28 HMD LEU 28 -2.247 6.021 4.610 221 2HD1 LEU 28 HMD LEU 28 -2.671 4.308 4.368 222 3HD1 LEU 28 HMD LEU 28 -1.442 5.076 3.333 223 1HD2 LEU 28 HMD LEU 28 -5.492 6.245 3.056 224 2HD2 LEU 28 HMD LEU 28 -5.191 4.535 3.458 225 3HD2 LEU 28 HMD LEU 28 -4.717 5.816 4.603 226 H ALA 29 HN ALA 29 -1.805 8.447 -0.414 227 HA ALA 29 HA ALA 29 -1.151 6.052 -1.955 228 1HB ALA 29 HMB ALA 29 -1.797 8.878 -2.478 229 2HB ALA 29 HMB ALA 29 -0.580 8.172 -3.571 230 3HB ALA 29 HMB ALA 29 -2.183 7.410 -3.409 231 H LYS 30 HN LYS 30 0.500 9.063 -0.946 232 HA LYS 30 HA LYS 30 3.050 8.365 -1.873 233 1HB LYS 30 HBS LYS 30 1.968 10.558 -0.663 234 2HB LYS 30 HBR LYS 30 2.994 9.908 0.647 235 1HG LYS 30 HGR LYS 30 4.906 10.522 -0.383 236 2HG LYS 30 HGS LYS 30 4.320 10.000 -1.989 237 1HD LYS 30 HDS LYS 30 3.809 12.622 -0.595 238 2HD LYS 30 HDR LYS 30 4.755 12.329 -2.028 239 1HE LYS 30 HES LYS 30 2.009 11.371 -2.291 240 2HE LYS 30 HER LYS 30 2.149 13.125 -1.979 241 1HZ LYS 30 HZC LYS 30 4.053 12.547 -3.832 242 2HZ LYS 30 HZA LYS 30 2.754 11.686 -4.321 243 3HZ LYS 30 HZB LYS 30 2.629 13.299 -4.103 244 H ILE 31 HN ILE 31 1.332 7.438 1.036 245 HA ILE 31 HA ILE 31 3.587 6.283 2.465 246 HB ILE 31 HB ILE 31 0.556 5.916 2.619 247 1HG1 ILE 31 HG1 ILE 31 2.308 7.158 4.738 248 2HG1 ILE 31 HG1 ILE 31 1.840 8.096 3.291 249 1HG2 ILE 31 HMG ILE 31 2.623 4.245 3.753 250 2HG2 ILE 31 HMG ILE 31 1.654 5.027 5.030 251 3HG2 ILE 31 HMG ILE 31 0.850 4.052 3.771 252 1HD1 ILE 31 HMD ILE 31 -0.288 6.696 4.872 253 2HD1 ILE 31 HMD ILE 31 0.418 8.208 5.503 254 3HD1 ILE 31 HMD ILE 31 -0.375 8.193 3.906 255 H LEU 32 HN LEU 32 0.748 4.599 1.140 256 HA LEU 32 HA LEU 32 1.958 2.153 1.146 257 1HB LEU 32 HBS LEU 32 -0.510 3.313 0.469 258 2HB LEU 32 HBR LEU 32 -0.058 2.291 -0.926 259 HG LEU 32 HG LEU 32 0.413 0.632 1.223 260 1HD1 LEU 32 HMD LEU 32 -2.063 2.306 1.743 261 2HD1 LEU 32 HMD LEU 32 -1.725 0.731 2.503 262 3HD1 LEU 32 HMD LEU 32 -0.646 2.115 2.805 263 1HD2 LEU 32 HMD LEU 32 -0.634 0.103 -0.927 264 2HD2 LEU 32 HMD LEU 32 -1.628 -0.486 0.430 265 3HD2 LEU 32 HMD LEU 32 -2.099 0.994 -0.443 266 H GLU 33 HN GLU 33 2.261 4.612 -1.279 267 HA GLU 33 HA GLU 33 3.315 2.949 -3.348 268 1HB GLU 33 HBR GLU 33 2.336 5.187 -3.609 269 2HB GLU 33 HBS GLU 33 3.533 5.838 -2.630 270 1HG GLU 33 HGS GLU 33 5.284 4.966 -4.271 271 2HG GLU 33 HGR GLU 33 3.962 4.829 -5.462 272 H GLU 34 HN GLU 34 4.922 5.139 -0.997 273 HA GLU 34 HA GLU 34 7.559 4.453 -1.558 274 1HB GLU 34 HBR GLU 34 6.085 5.919 0.341 275 2HB GLU 34 HBS GLU 34 6.930 4.789 1.247 276 1HG GLU 34 HGS GLU 34 8.641 6.167 1.300 277 2HG GLU 34 HGR GLU 34 9.017 5.623 -0.358 278 H MET 35 HN MET 35 5.214 2.857 0.587 279 HA MET 35 HA MET 35 6.842 0.656 1.388 280 1HB MET 35 HBR MET 35 4.664 1.203 2.401 281 2HB MET 35 HBS MET 35 3.852 0.722 0.884 282 1HG MET 35 HGS MET 35 4.981 -1.554 1.139 283 2HG MET 35 HGR MET 35 5.474 -1.025 2.766 284 1HE MET 35 HME MET 35 4.385 -3.204 3.078 285 2HE MET 35 HME MET 35 2.945 -3.107 4.123 286 3HE MET 35 HME MET 35 2.784 -3.641 2.431 287 H GLY 36 HN GLY 36 4.492 0.980 -1.304 288 1HA GLY 36 HAR GLY 36 4.742 -1.591 -2.233 289 2HA GLY 36 HAS GLY 36 4.228 -0.222 -3.255 290 H ARG 37 HN ARG 37 6.593 1.276 -3.282 291 HA ARG 37 HA ARG 37 8.103 -0.047 -5.358 292 1HB ARG 37 HBS ARG 37 7.831 2.422 -5.190 293 2HB ARG 37 HBR ARG 37 8.844 2.397 -3.718 294 1HG ARG 37 HGS ARG 37 10.517 1.137 -5.391 295 2HG ARG 37 HGR ARG 37 9.605 2.102 -6.587 296 1HD ARG 37 HDS ARG 37 11.111 3.671 -6.092 297 2HD ARG 37 HDR ARG 37 10.047 3.959 -4.686 298 HE ARG 37 HE ARG 37 11.814 3.333 -3.370 299 1HH1 ARG 37 HH1 ARG 37 12.307 1.915 -6.560 300 2HH1 ARG 37 HH1 ARG 37 13.714 1.032 -6.070 301 1HH2 ARG 37 HH2 ARG 37 13.579 2.062 -2.734 302 2HH2 ARG 37 HH2 ARG 37 14.434 1.115 -3.905 303 H ASP 38 HN ASP 38 8.482 0.519 -1.880 304 HA ASP 38 HA ASP 38 11.024 -0.581 -1.562 305 1HB ASP 38 HBR ASP 38 8.903 0.272 0.129 306 2HB ASP 38 HBS ASP 38 9.518 -1.300 0.714 307 H ILE 39 HN ILE 39 7.875 -2.260 -1.319 308 HA ILE 39 HA ILE 39 9.014 -4.817 -0.806 309 HB ILE 39 HB ILE 39 6.349 -4.473 -2.226 310 1HG1 ILE 39 HG1 ILE 39 6.958 -3.739 0.661 311 2HG1 ILE 39 HG1 ILE 39 6.275 -2.703 -0.625 312 1HG2 ILE 39 HMG ILE 39 7.215 -6.732 -1.686 313 2HG2 ILE 39 HMG ILE 39 7.142 -6.303 0.043 314 3HG2 ILE 39 HMG ILE 39 5.647 -6.346 -0.928 315 1HD1 ILE 39 HMD ILE 39 4.629 -5.048 -0.206 316 2HD1 ILE 39 HMD ILE 39 4.875 -4.150 1.315 317 3HD1 ILE 39 HMD ILE 39 4.208 -3.318 -0.115 318 H ALA 40 HN ALA 40 8.624 -2.953 -3.695 319 HA ALA 40 HA ALA 40 8.445 -5.121 -5.599 320 1HB ALA 40 HMB ALA 40 8.619 -2.201 -5.623 321 2HB ALA 40 HMB ALA 40 9.557 -2.974 -6.926 322 3HB ALA 40 HMB ALA 40 7.818 -3.323 -6.750 323 H SER 41 HN SER 41 11.098 -2.774 -5.007 324 HA SER 41 HA SER 41 12.973 -4.376 -6.473 325 1HB SER 41 HBR SER 41 14.520 -2.663 -4.985 326 2HB SER 41 HBS SER 41 13.810 -2.330 -6.591 327 HG SER 41 HG SER 41 12.837 -0.751 -5.782 328 H GLU 42 HN GLU 42 11.808 -4.463 -3.256 329 HA GLU 42 HA GLU 42 13.982 -6.074 -2.138 330 1HB GLU 42 HBR GLU 42 11.247 -5.167 -1.433 331 2HB GLU 42 HBS GLU 42 11.644 -6.707 -0.897 332 1HG GLU 42 HGS GLU 42 12.997 -4.158 -0.148 333 2HG GLU 42 HGR GLU 42 12.313 -5.371 0.967 334 H ALA 43 HN ALA 43 10.587 -6.831 -3.034 335 HA ALA 43 HA ALA 43 10.908 -9.572 -3.215 336 1HB ALA 43 HMB ALA 43 8.756 -8.421 -3.141 337 2HB ALA 43 HMB ALA 43 9.005 -7.825 -4.802 338 3HB ALA 43 HMB ALA 43 8.835 -9.574 -4.499 339 H ILE 44 HN ILE 44 12.076 -7.172 -5.363 340 HA ILE 44 HA ILE 44 12.423 -9.005 -7.576 341 HB ILE 44 HB ILE 44 13.187 -6.110 -7.014 342 1HG1 ILE 44 HG1 ILE 44 11.377 -7.160 -9.193 343 2HG1 ILE 44 HG1 ILE 44 10.802 -6.993 -7.510 344 1HG2 ILE 44 HMG ILE 44 14.913 -7.229 -8.502 345 2HG2 ILE 44 HMG ILE 44 13.606 -7.408 -9.702 346 3HG2 ILE 44 HMG ILE 44 14.093 -5.784 -9.150 347 1HD1 ILE 44 HMD ILE 44 11.693 -4.550 -7.727 348 2HD1 ILE 44 HMD ILE 44 11.602 -4.867 -9.480 349 3HD1 ILE 44 HMD ILE 44 10.134 -4.990 -8.474 350 H LYS 45 HN LYS 45 14.655 -7.263 -5.377 351 HA LYS 45 HA LYS 45 16.966 -8.811 -5.836 352 1HB LYS 45 HBR LYS 45 16.931 -6.778 -4.450 353 2HB LYS 45 HBS LYS 45 15.986 -7.648 -3.207 354 1HG LYS 45 HGR LYS 45 18.050 -7.942 -2.291 355 2HG LYS 45 HGS LYS 45 18.083 -9.332 -3.413 356 1HD LYS 45 HDS LYS 45 19.024 -7.412 -5.042 357 2HD LYS 45 HDR LYS 45 19.536 -6.757 -3.511 358 1HE LYS 45 HES LYS 45 20.712 -8.820 -2.958 359 2HE LYS 45 HER LYS 45 20.174 -9.521 -4.510 360 1HZ LYS 45 HZA LYS 45 21.343 -7.647 -5.575 361 2HZ LYS 45 HZB LYS 45 21.970 -7.232 -4.126 362 3HZ LYS 45 HZC LYS 45 22.334 -8.678 -4.789 363 H LEU 46 HN LEU 46 13.935 -9.655 -4.455 364 HA LEU 46 HA LEU 46 14.901 -11.928 -2.980 365 1HB LEU 46 HBR LEU 46 12.364 -10.551 -3.609 366 2HB LEU 46 HBS LEU 46 12.220 -12.304 -3.304 367 HG LEU 46 HG LEU 46 13.135 -12.049 -1.093 368 1HD1 LEU 46 HMD LEU 46 14.550 -10.005 -2.028 369 2HD1 LEU 46 HMD LEU 46 13.191 -9.069 -1.354 370 3HD1 LEU 46 HMD LEU 46 14.141 -10.147 -0.300 371 1HD2 LEU 46 HMD LEU 46 10.711 -10.890 -1.992 372 2HD2 LEU 46 HMD LEU 46 11.105 -11.500 -0.364 373 3HD2 LEU 46 HMD LEU 46 11.391 -9.788 -0.768 374 H ALA 47 HN ALA 47 13.135 -11.531 -6.064 375 HA ALA 47 HA ALA 47 13.261 -14.275 -6.882 376 1HB ALA 47 HMB ALA 47 12.744 -11.634 -8.163 377 2HB ALA 47 HMB ALA 47 13.204 -12.998 -9.213 378 3HB ALA 47 HMB ALA 47 11.775 -13.130 -8.155 379 H ARG 48 HN ARG 48 15.606 -11.790 -6.544 380 HA ARG 48 HA ARG 48 17.535 -12.914 -8.441 381 1HB ARG 48 HBR ARG 48 17.302 -10.511 -6.887 382 2HB ARG 48 HBS ARG 48 18.827 -11.340 -6.460 383 1HG ARG 48 HGS ARG 48 19.253 -11.482 -8.985 384 2HG ARG 48 HGR ARG 48 17.927 -10.297 -9.153 385 1HD ARG 48 HDS ARG 48 20.119 -9.232 -9.107 386 2HD ARG 48 HDR ARG 48 19.099 -8.743 -7.725 387 HE ARG 48 HE ARG 48 20.803 -9.491 -6.391 388 1HH1 ARG 48 HH1 ARG 48 20.998 -11.252 -9.438 389 2HH1 ARG 48 HH1 ARG 48 22.252 -12.305 -8.876 390 1HH2 ARG 48 HH2 ARG 48 22.353 -10.969 -5.648 391 2HH2 ARG 48 HH2 ARG 48 23.021 -12.145 -6.731 392 H HIS 49 HN HIS 49 16.814 -12.993 -4.967 393 HA HIS 49 HA HIS 49 18.869 -14.811 -4.184 394 1HB HIS 49 HBS HIS 49 17.405 -13.629 -2.536 395 2HB HIS 49 HBR HIS 49 16.040 -14.658 -3.060 396 HD1 HIS 49 HD1 HIS 49 18.188 -14.523 -0.297 397 HD2 HIS 49 HD2 HIS 49 17.132 -17.565 -2.940 398 HE1 HIS 49 HE1 HIS 49 18.530 -16.679 0.934 399 HE2 HIS 49 HE2 HIS 49 17.876 -18.523 -0.654 400 H ALA 50 HN ALA 50 15.751 -15.189 -5.786 401 HA ALA 50 HA ALA 50 15.821 -18.068 -6.046 402 1HB ALA 50 HMB ALA 50 14.233 -15.847 -6.984 403 2HB ALA 50 HMB ALA 50 14.647 -16.937 -8.331 404 3HB ALA 50 HMB ALA 50 13.829 -17.579 -6.885 405 H GLY 51 HN GLY 51 17.023 -15.290 -7.934 406 1HA GLY 51 HAR GLY 51 19.003 -15.233 -9.153 407 2HA GLY 51 HAS GLY 51 19.068 -17.015 -9.120 408 H ARG 52 HN ARG 52 16.035 -15.657 -10.016 409 HA ARG 52 HA ARG 52 16.213 -15.257 -12.702 410 1HB ARG 52 HBS ARG 52 15.481 -17.409 -13.718 411 2HB ARG 52 HBR ARG 52 17.171 -17.395 -13.137 412 1HG ARG 52 HGS ARG 52 15.436 -18.378 -11.056 413 2HG ARG 52 HGR ARG 52 15.136 -19.280 -12.569 414 1HD ARG 52 HDS ARG 52 17.785 -18.854 -11.186 415 2HD ARG 52 HDR ARG 52 16.848 -20.370 -11.288 416 HE ARG 52 HE ARG 52 18.248 -19.043 -13.549 417 1HH1 ARG 52 HH1 ARG 52 16.416 -21.789 -12.308 418 2HH1 ARG 52 HH1 ARG 52 17.013 -22.873 -13.519 419 1HH2 ARG 52 HH2 ARG 52 19.105 -20.523 -15.038 420 2HH2 ARG 52 HH2 ARG 52 18.535 -22.158 -15.065 421 H LYS 53 HN LYS 53 14.048 -16.327 -13.836 422 HA LYS 53 HA LYS 53 11.771 -16.555 -13.886 423 1HB LYS 53 HBS LYS 53 12.602 -18.154 -11.895 424 2HB LYS 53 HBR LYS 53 11.597 -17.020 -10.948 425 1HG LYS 53 HGR LYS 53 9.849 -18.311 -11.501 426 2HG LYS 53 HGS LYS 53 10.001 -17.638 -13.149 427 1HD LYS 53 HDS LYS 53 11.889 -19.753 -12.865 428 2HD LYS 53 HDR LYS 53 10.363 -20.311 -12.237 429 1HE LYS 53 HES LYS 53 11.011 -19.393 -15.008 430 2HE LYS 53 HER LYS 53 10.241 -20.903 -14.445 431 1HZ LYS 53 HZC LYS 53 8.588 -18.950 -13.602 432 2HZ LYS 53 HZA LYS 53 9.055 -18.406 -15.071 433 3HZ LYS 53 HZB LYS 53 8.365 -19.880 -14.927 434 H THR 54 HN THR 54 9.697 -15.947 -12.423 435 HA THR 54 HA THR 54 9.864 -13.032 -12.518 436 HB THR 54 HB THR 54 7.270 -14.498 -11.963 437 HG1 THR 54 HG1 THR 54 8.646 -14.288 -14.297 438 1HG2 THR 54 HMG THR 54 7.993 -12.184 -13.779 439 2HG2 THR 54 HMG THR 54 6.368 -12.898 -13.621 440 3HG2 THR 54 HMG THR 54 7.135 -12.111 -12.218 441 H ILE 55 HN ILE 55 8.566 -11.747 -10.968 442 HA ILE 55 HA ILE 55 9.103 -12.384 -8.179 443 HB ILE 55 HB ILE 55 7.240 -10.244 -9.303 444 1HG1 ILE 55 HG1 ILE 55 9.275 -9.949 -10.486 445 2HG1 ILE 55 HG1 ILE 55 9.248 -8.720 -9.189 446 1HG2 ILE 55 HMG ILE 55 7.466 -10.904 -6.753 447 2HG2 ILE 55 HMG ILE 55 8.903 -9.853 -6.862 448 3HG2 ILE 55 HMG ILE 55 7.293 -9.209 -7.280 449 1HD1 ILE 55 HMD ILE 55 10.617 -10.595 -7.893 450 2HD1 ILE 55 HMD ILE 55 11.029 -11.088 -9.557 451 3HD1 ILE 55 HMD ILE 55 11.406 -9.438 -8.998 452 H LYS 56 HN LYS 56 7.731 -13.171 -6.691 453 HA LYS 56 HA LYS 56 5.185 -14.334 -7.726 454 1HB LYS 56 HBS LYS 56 5.891 -16.261 -6.086 455 2HB LYS 56 HBR LYS 56 6.484 -16.211 -7.771 456 1HG LYS 56 HGR LYS 56 8.554 -15.012 -6.821 457 2HG LYS 56 HGS LYS 56 7.974 -15.545 -5.216 458 1HD LYS 56 HDS LYS 56 8.515 -17.409 -7.527 459 2HD LYS 56 HDR LYS 56 9.695 -16.981 -6.318 460 1HE LYS 56 HES LYS 56 7.327 -17.774 -4.953 461 2HE LYS 56 HER LYS 56 7.720 -18.988 -6.203 462 1HZ LYS 56 HZC LYS 56 9.984 -18.981 -5.290 463 2HZ LYS 56 HZA LYS 56 9.489 -18.018 -4.068 464 3HZ LYS 56 HZB LYS 56 8.867 -19.520 -4.227 465 H ALA 57 HN ALA 57 4.223 -15.580 -5.626 466 HA ALA 57 HA ALA 57 3.174 -13.313 -4.225 467 1HB ALA 57 HMB ALA 57 2.614 -16.282 -4.101 468 2HB ALA 57 HMB ALA 57 1.723 -15.068 -3.149 469 3HB ALA 57 HMB ALA 57 1.678 -15.012 -4.930 470 H GLU 58 HN GLU 58 4.627 -16.369 -3.032 471 HA GLU 58 HA GLU 58 5.143 -15.527 -0.380 472 1HB GLU 58 HBR GLU 58 5.270 -17.818 -1.554 473 2HB GLU 58 HBS GLU 58 6.756 -17.314 -2.147 474 1HG GLU 58 HGS GLU 58 7.262 -16.744 0.405 475 2HG GLU 58 HGR GLU 58 6.160 -18.122 0.678 476 H ASP 59 HN ASP 59 6.753 -14.874 -3.423 477 HA ASP 59 HA ASP 59 9.137 -13.764 -2.450 478 1HB ASP 59 HBS ASP 59 7.688 -13.787 -4.956 479 2HB ASP 59 HBR ASP 59 8.514 -12.230 -4.662 480 H ILE 60 HN ILE 60 6.098 -12.053 -3.258 481 HA ILE 60 HA ILE 60 7.208 -9.599 -2.525 482 HB ILE 60 HB ILE 60 5.064 -10.433 -3.999 483 1HG1 ILE 60 HG1 ILE 60 4.588 -7.764 -3.881 484 2HG1 ILE 60 HG1 ILE 60 6.199 -7.841 -3.110 485 1HG2 ILE 60 HMG ILE 60 3.636 -10.560 -1.882 486 2HG2 ILE 60 HMG ILE 60 3.673 -8.778 -1.910 487 3HG2 ILE 60 HMG ILE 60 3.005 -9.677 -3.297 488 1HD1 ILE 60 HMD ILE 60 6.320 -9.508 -5.387 489 2HD1 ILE 60 HMD ILE 60 5.492 -8.013 -5.898 490 3HD1 ILE 60 HMD ILE 60 7.104 -7.924 -5.143 491 H GLU 61 HN GLU 61 5.146 -11.818 -0.688 492 HA GLU 61 HA GLU 61 4.767 -10.072 1.600 493 1HB GLU 61 HBR GLU 61 4.750 -13.076 1.598 494 2HB GLU 61 HBS GLU 61 3.975 -12.000 2.627 495 1HG GLU 61 HGS GLU 61 2.283 -11.407 1.236 496 2HG GLU 61 HGR GLU 61 3.156 -11.808 -0.268 497 H LEU 62 HN LEU 62 7.281 -12.145 0.360 498 HA LEU 62 HA LEU 62 8.750 -12.419 2.874 499 1HB LEU 62 HBR LEU 62 9.131 -13.086 -0.017 500 2HB LEU 62 HBS LEU 62 10.576 -12.937 1.022 501 HG LEU 62 HG LEU 62 8.266 -14.770 1.679 502 1HD1 LEU 62 HMD LEU 62 9.929 -14.930 -0.555 503 2HD1 LEU 62 HMD LEU 62 10.680 -16.021 0.636 504 3HD1 LEU 62 HMD LEU 62 8.977 -16.253 0.166 505 1HD2 LEU 62 HMD LEU 62 10.246 -13.950 3.278 506 2HD2 LEU 62 HMD LEU 62 9.616 -15.616 3.315 507 3HD2 LEU 62 HMD LEU 62 11.115 -15.250 2.425 508 H ALA 63 HN ALA 63 8.775 -10.348 -0.021 509 HA ALA 63 HA ALA 63 10.850 -8.562 0.854 510 1HB ALA 63 HMB ALA 63 8.651 -8.533 -1.170 511 2HB ALA 63 HMB ALA 63 9.411 -6.990 -0.705 512 3HB ALA 63 HMB ALA 63 10.408 -8.309 -1.370 513 H VAL 64 HN VAL 64 7.423 -8.950 1.522 514 HA VAL 64 HA VAL 64 7.040 -6.444 2.930 515 HB VAL 64 HB VAL 64 5.577 -9.086 2.868 516 1HG1 VAL 64 HMG VAL 64 5.189 -8.116 5.060 517 2HG1 VAL 64 HMG VAL 64 4.735 -6.561 4.321 518 3HG1 VAL 64 HMG VAL 64 3.722 -8.002 4.060 519 1HG2 VAL 64 HMG VAL 64 5.647 -7.241 0.939 520 2HG2 VAL 64 HMG VAL 64 4.208 -8.226 1.298 521 3HG2 VAL 64 HMG VAL 64 4.329 -6.564 1.925 522 H ARG 65 HN ARG 65 6.922 -9.736 4.272 523 HA ARG 65 HA ARG 65 7.450 -8.973 6.845 524 1HB ARG 65 HBR ARG 65 6.558 -11.160 6.237 525 2HB ARG 65 HBS ARG 65 8.146 -11.640 5.572 526 1HG ARG 65 HGS ARG 65 8.370 -10.733 8.328 527 2HG ARG 65 HGR ARG 65 7.196 -12.069 8.168 528 1HD ARG 65 HDS ARG 65 9.926 -12.151 6.912 529 2HD ARG 65 HDR ARG 65 9.623 -12.677 8.591 530 HE ARG 65 HE ARG 65 8.492 -13.937 6.147 531 1HH1 ARG 65 HH1 ARG 65 8.917 -13.954 9.647 532 2HH1 ARG 65 HH1 ARG 65 8.635 -15.656 9.783 533 1HH2 ARG 65 HH2 ARG 65 8.253 -16.182 6.350 534 2HH2 ARG 65 HH2 ARG 65 8.256 -16.918 7.918 535 H ARG 66 HN ARG 66 9.715 -9.195 4.281 536 HA ARG 66 HA ARG 66 12.131 -9.368 5.813 537 1HB ARG 66 HBS ARG 66 12.129 -9.677 3.397 538 2HB ARG 66 HBR ARG 66 11.580 -7.992 3.162 539 1HG ARG 66 HGS ARG 66 13.862 -7.885 2.719 540 2HG ARG 66 HGR ARG 66 13.750 -7.345 4.418 541 1HD ARG 66 HDS ARG 66 14.411 -9.497 5.209 542 2HD ARG 66 HDR ARG 66 14.344 -10.175 3.558 543 HE ARG 66 HE ARG 66 16.152 -8.025 3.508 544 1HH1 ARG 66 HH1 ARG 66 15.888 -11.029 5.336 545 2HH1 ARG 66 HH1 ARG 66 17.595 -11.323 5.309 546 1HH2 ARG 66 HH2 ARG 66 18.362 -8.510 3.383 547 2HH2 ARG 66 HH2 ARG 66 18.996 -9.897 4.205 548 H PHE 67 HN PHE 67 10.254 -6.584 4.557 549 HA PHE 67 HA PHE 67 11.544 -4.561 5.980 550 1HB PHE 67 HBS PHE 67 8.530 -4.648 5.546 551 2HB PHE 67 HBR PHE 67 9.566 -3.212 5.789 552 HD1 PHE 67 HD1 PHE 67 11.663 -3.273 4.140 553 HD2 PHE 67 HD2 PHE 67 7.801 -4.850 3.275 554 HE1 PHE 67 HE1 PHE 67 12.187 -3.188 1.745 555 HE2 PHE 67 HE2 PHE 67 8.343 -4.869 0.862 556 HZ PHE 67 HZ PHE 67 10.533 -3.991 0.102 557 H LYS 68 HN LYS 68 8.701 -6.485 7.004 558 HA LYS 68 HA LYS 68 7.709 -6.783 9.056 559 1HB LYS 68 HBS LYS 68 9.974 -7.349 9.918 560 2HB LYS 68 HBR LYS 68 10.241 -5.615 10.257 561 1HG LYS 68 HGR LYS 68 8.230 -5.681 11.769 562 2HG LYS 68 HGS LYS 68 8.176 -7.451 11.529 563 1HD LYS 68 HDS LYS 68 9.379 -7.451 13.413 564 2HD LYS 68 HDR LYS 68 10.674 -7.323 12.255 565 1HE LYS 68 HES LYS 68 9.441 -4.944 13.636 566 2HE LYS 68 HER LYS 68 10.902 -5.810 14.188 567 1HZ LYS 68 HZA LYS 68 11.684 -5.342 11.816 568 2HZ LYS 68 HZB LYS 68 10.537 -4.178 11.800 569 3HZ LYS 68 HZC LYS 68 11.734 -4.131 12.911 570 H LYS 69 HN LYS 69 9.751 -3.938 9.755 571 HA LYS 69 HA LYS 69 7.571 -2.201 10.487 572 1HB LYS 69 HBS LYS 69 9.889 -1.799 11.206 573 2HB LYS 69 HBR LYS 69 10.365 -1.528 9.505 574 1HG LYS 69 HGR LYS 69 9.284 0.525 9.387 575 2HG LYS 69 HGS LYS 69 8.161 0.130 10.719 576 1HD LYS 69 HDS LYS 69 9.618 0.707 12.346 577 2HD LYS 69 HDR LYS 69 11.016 0.233 11.422 578 1HE LYS 69 HES LYS 69 10.093 2.361 9.961 579 2HE LYS 69 HER LYS 69 9.727 2.828 11.645 580 1HZ LYS 69 HZA LYS 69 12.224 1.797 11.735 581 2HZ LYS 69 HZB LYS 69 12.229 2.652 10.343 582 3HZ LYS 69 HZC LYS 69 11.839 3.386 11.749 583 1H MET 1 HN MET 1 -8.214 -6.589 -2.631 584 2H MET 1 HNC MET 1 -7.183 -7.856 -2.670 585 3H MET 1 HNB MET 1 -6.824 -6.486 -3.485 586 HA MET 1 HA MET 1 -7.492 -8.019 -5.066 587 1HB MET 1 HBS MET 1 -9.858 -8.432 -3.215 588 2HB MET 1 HBR MET 1 -9.754 -9.076 -4.878 589 1HG MET 1 HGS MET 1 -7.777 -10.390 -4.287 590 2HG MET 1 HGR MET 1 -7.733 -9.641 -2.673 591 1HE MET 1 HME MET 1 -9.526 -9.944 -0.869 592 2HE MET 1 HME MET 1 -10.869 -9.438 -1.923 593 3HE MET 1 HME MET 1 -10.992 -10.948 -0.986 594 H GLU 2 HN GLU 2 -7.650 -5.165 -4.387 595 HA GLU 2 HA GLU 2 -10.095 -4.375 -5.911 596 1HB GLU 2 HBR GLU 2 -9.181 -3.825 -3.319 597 2HB GLU 2 HBS GLU 2 -8.713 -2.479 -4.206 598 1HG GLU 2 HGS GLU 2 -11.522 -3.475 -3.896 599 2HG GLU 2 HGR GLU 2 -10.911 -1.892 -3.343 600 H LEU 3 HN LEU 3 -6.698 -3.518 -5.184 601 HA LEU 3 HA LEU 3 -6.613 -1.244 -6.935 602 1HB LEU 3 HBR LEU 3 -4.188 -2.826 -6.154 603 2HB LEU 3 HBS LEU 3 -4.423 -1.059 -6.254 604 HG LEU 3 HG LEU 3 -5.434 -2.895 -4.065 605 1HD1 LEU 3 HMD LEU 3 -3.053 -1.137 -4.426 606 2HD1 LEU 3 HMD LEU 3 -3.867 -1.097 -2.842 607 3HD1 LEU 3 HMD LEU 3 -3.244 -2.637 -3.484 608 1HD2 LEU 3 HMD LEU 3 -5.891 -0.024 -4.798 609 2HD2 LEU 3 HMD LEU 3 -7.022 -1.229 -4.132 610 3HD2 LEU 3 HMD LEU 3 -5.803 -0.473 -3.075 611 HA PRO 4 HA PRO 4 -5.800 -3.173 -10.841 612 1HB PRO 4 HBR PRO 4 -4.735 -0.953 -11.929 613 2HB PRO 4 HBS PRO 4 -6.308 -1.407 -12.052 614 1HG PRO 4 HGS PRO 4 -5.288 0.712 -10.650 615 2HG PRO 4 HGR PRO 4 -6.893 0.307 -10.856 616 1HD PRO 4 HDS PRO 4 -5.304 -0.092 -8.613 617 2HD PRO 4 HDR PRO 4 -6.937 -0.308 -8.754 618 H ILE 5 HN ILE 5 -4.205 -4.210 -11.852 619 HA ILE 5 HA ILE 5 -1.760 -4.235 -10.241 620 HB ILE 5 HB ILE 5 -1.340 -6.400 -11.352 621 1HG1 ILE 5 HG1 ILE 5 -3.538 -7.133 -12.788 622 2HG1 ILE 5 HG1 ILE 5 -3.455 -5.391 -13.177 623 1HG2 ILE 5 HMG ILE 5 -3.985 -5.905 -10.058 624 2HG2 ILE 5 HMG ILE 5 -3.645 -7.517 -10.741 625 3HG2 ILE 5 HMG ILE 5 -2.576 -6.837 -9.485 626 1HD1 ILE 5 HMD ILE 5 -0.825 -6.495 -13.391 627 2HD1 ILE 5 HMD ILE 5 -1.960 -7.533 -14.296 628 3HD1 ILE 5 HMD ILE 5 -1.857 -5.791 -14.664 629 H ALA 6 HN ALA 6 -2.836 -3.032 -13.260 630 HA ALA 6 HA ALA 6 -0.353 -2.927 -14.657 631 1HB ALA 6 HMB ALA 6 -2.965 -2.162 -15.150 632 2HB ALA 6 HMB ALA 6 -2.096 -0.611 -15.032 633 3HB ALA 6 HMB ALA 6 -1.557 -1.849 -16.195 634 HA PRO 7 HA PRO 7 0.076 1.464 -12.653 635 1HB PRO 7 HBR PRO 7 -1.438 1.790 -10.443 636 2HB PRO 7 HBS PRO 7 -1.691 2.524 -11.890 637 1HG PRO 7 HGS PRO 7 -3.101 0.403 -10.755 638 2HG PRO 7 HGR PRO 7 -3.586 1.443 -11.965 639 1HD PRO 7 HDS PRO 7 -2.848 -1.096 -12.349 640 2HD PRO 7 HDR PRO 7 -2.929 0.054 -13.535 641 H ILE 8 HN ILE 8 -0.714 -1.012 -10.357 642 HA ILE 8 HA ILE 8 1.472 -0.571 -8.601 643 HB ILE 8 HB ILE 8 -0.071 -3.118 -9.292 644 1HG1 ILE 8 HG1 ILE 8 -0.387 -1.062 -7.072 645 2HG1 ILE 8 HG1 ILE 8 -1.479 -1.323 -8.463 646 1HG2 ILE 8 HMG ILE 8 1.884 -2.575 -7.057 647 2HG2 ILE 8 HMG ILE 8 0.693 -3.902 -7.026 648 3HG2 ILE 8 HMG ILE 8 1.944 -3.856 -8.296 649 1HD1 ILE 8 HMD ILE 8 -1.260 -3.813 -7.149 650 2HD1 ILE 8 HMD ILE 8 -1.480 -2.584 -5.875 651 3HD1 ILE 8 HMD ILE 8 -2.664 -2.714 -7.202 652 H GLY 9 HN GLY 9 1.111 -2.861 -11.335 653 1HA GLY 9 HAR GLY 9 3.636 -3.961 -11.240 654 2HA GLY 9 HAS GLY 9 2.665 -3.839 -12.732 655 H ARG 10 HN ARG 10 2.725 -0.791 -12.298 656 HA ARG 10 HA ARG 10 5.226 -0.338 -13.756 657 1HB ARG 10 HBR ARG 10 3.013 1.608 -13.028 658 2HB ARG 10 HBS ARG 10 4.364 1.887 -14.165 659 1HG ARG 10 HGS ARG 10 2.796 -0.486 -14.845 660 2HG ARG 10 HGR ARG 10 1.808 1.002 -14.805 661 1HD ARG 10 HDS ARG 10 4.417 1.301 -16.107 662 2HD ARG 10 HDR ARG 10 3.313 0.148 -16.908 663 HE ARG 10 HE ARG 10 1.757 1.925 -17.260 664 1HH1 ARG 10 HH1 ARG 10 4.607 3.051 -15.517 665 2HH1 ARG 10 HH1 ARG 10 4.409 4.693 -16.034 666 1HH2 ARG 10 HH2 ARG 10 1.607 4.054 -18.023 667 2HH2 ARG 10 HH2 ARG 10 2.711 5.261 -17.451 668 H ILE 11 HN ILE 11 3.813 0.281 -10.608 669 HA ILE 11 HA ILE 11 5.896 1.974 -9.557 670 HB ILE 11 HB ILE 11 3.985 -0.013 -8.235 671 1HG1 ILE 11 HG1 ILE 11 3.922 2.994 -8.651 672 2HG1 ILE 11 HG1 ILE 11 2.794 1.766 -9.292 673 1HG2 ILE 11 HMG ILE 11 6.206 0.631 -7.004 674 2HG2 ILE 11 HMG ILE 11 5.343 2.161 -6.695 675 3HG2 ILE 11 HMG ILE 11 4.647 0.616 -6.136 676 1HD1 ILE 11 HMD ILE 11 3.114 2.534 -6.375 677 2HD1 ILE 11 HMD ILE 11 1.794 3.048 -7.461 678 3HD1 ILE 11 HMD ILE 11 1.976 1.326 -7.029 679 H ILE 12 HN ILE 12 5.340 -1.554 -9.682 680 HA ILE 12 HA ILE 12 7.756 -2.205 -8.222 681 HB ILE 12 HB ILE 12 6.168 -4.054 -10.057 682 1HG1 ILE 12 HG1 ILE 12 4.489 -3.030 -8.742 683 2HG1 ILE 12 HG1 ILE 12 4.808 -4.623 -8.003 684 1HG2 ILE 12 HMG ILE 12 8.340 -4.417 -8.198 685 2HG2 ILE 12 HMG ILE 12 6.920 -5.377 -7.708 686 3HG2 ILE 12 HMG ILE 12 7.606 -5.571 -9.343 687 1HD1 ILE 12 HMD ILE 12 6.105 -2.099 -6.972 688 2HD1 ILE 12 HMD ILE 12 4.488 -2.627 -6.436 689 3HD1 ILE 12 HMD ILE 12 5.905 -3.673 -6.157 690 H LYS 13 HN LYS 13 6.784 -1.942 -11.619 691 HA LYS 13 HA LYS 13 9.274 -2.641 -12.824 692 1HB LYS 13 HBR LYS 13 6.894 -0.993 -13.587 693 2HB LYS 13 HBS LYS 13 8.410 -0.778 -14.507 694 1HG LYS 13 HGR LYS 13 8.043 -3.566 -14.315 695 2HG LYS 13 HGS LYS 13 6.426 -2.896 -14.670 696 1HD LYS 13 HDS LYS 13 7.210 -1.791 -16.624 697 2HD LYS 13 HDR LYS 13 8.872 -2.130 -16.226 698 1HE LYS 13 HES LYS 13 8.705 -3.854 -17.612 699 2HE LYS 13 HER LYS 13 7.818 -4.642 -16.276 700 1HZ LYS 13 HZB LYS 13 5.942 -3.177 -17.510 701 2HZ LYS 13 HZC LYS 13 6.847 -3.685 -18.771 702 3HZ LYS 13 HZA LYS 13 6.191 -4.773 -17.744 703 H ASP 14 HN ASP 14 7.953 0.416 -11.541 704 HA ASP 14 HA ASP 14 9.993 2.061 -12.226 705 1HB ASP 14 HBS ASP 14 7.811 2.712 -11.249 706 2HB ASP 14 HBR ASP 14 8.468 2.294 -9.639 707 H ALA 15 HN ALA 15 9.841 -0.019 -9.379 708 HA ALA 15 HA ALA 15 12.356 0.471 -8.264 709 1HB ALA 15 HMB ALA 15 10.440 -1.165 -7.602 710 2HB ALA 15 HMB ALA 15 11.327 -2.327 -8.621 711 3HB ALA 15 HMB ALA 15 12.131 -1.576 -7.218 712 H GLY 16 HN GLY 16 11.475 -1.609 -11.019 713 1HA GLY 16 HAR GLY 16 13.296 -1.804 -12.740 714 2HA GLY 16 HAS GLY 16 14.366 -2.290 -11.399 715 H ALA 17 HN ALA 17 11.146 -3.377 -11.023 716 HA ALA 17 HA ALA 17 11.570 -6.137 -11.583 717 1HB ALA 17 HMB ALA 17 9.602 -4.656 -10.430 718 2HB ALA 17 HMB ALA 17 8.860 -5.054 -12.001 719 3HB ALA 17 HMB ALA 17 9.438 -6.358 -10.933 720 H GLU 18 HN GLU 18 11.500 -7.283 -13.390 721 HA GLU 18 HA GLU 18 11.067 -5.804 -15.953 722 1HB GLU 18 HBR GLU 18 12.810 -8.113 -15.125 723 2HB GLU 18 HBS GLU 18 12.241 -8.005 -16.700 724 1HG GLU 18 HGS GLU 18 13.816 -5.815 -15.377 725 2HG GLU 18 HGR GLU 18 14.523 -6.954 -16.555 726 H ARG 19 HN ARG 19 10.251 -8.546 -13.910 727 HA ARG 19 HA ARG 19 7.704 -8.795 -15.371 728 1HB ARG 19 HBR ARG 19 7.932 -11.301 -15.348 729 2HB ARG 19 HBS ARG 19 8.922 -10.433 -16.557 730 1HG ARG 19 HGS ARG 19 10.717 -10.612 -14.552 731 2HG ARG 19 HGR ARG 19 9.745 -12.073 -14.213 732 1HD ARG 19 HDS ARG 19 10.414 -13.120 -16.079 733 2HD ARG 19 HDR ARG 19 10.477 -11.612 -17.035 734 HE ARG 19 HE ARG 19 12.605 -11.190 -15.584 735 1HH1 ARG 19 HH1 ARG 19 11.565 -14.200 -17.097 736 2HH1 ARG 19 HH1 ARG 19 13.151 -14.896 -17.057 737 1HH2 ARG 19 HH2 ARG 19 14.637 -12.182 -15.432 738 2HH2 ARG 19 HH2 ARG 19 14.891 -13.753 -16.119 739 H VAL 20 HN VAL 20 6.181 -8.718 -13.920 740 HA VAL 20 HA VAL 20 6.600 -10.140 -11.341 741 HB VAL 20 HB VAL 20 4.620 -7.907 -11.799 742 1HG1 VAL 20 HMG VAL 20 4.223 -9.541 -9.926 743 2HG1 VAL 20 HMG VAL 20 5.730 -8.949 -9.186 744 3HG1 VAL 20 HMG VAL 20 4.366 -7.835 -9.439 745 1HG2 VAL 20 HMG VAL 20 7.005 -7.160 -12.107 746 2HG2 VAL 20 HMG VAL 20 6.093 -6.338 -10.819 747 3HG2 VAL 20 HMG VAL 20 7.280 -7.597 -10.404 748 H SER 21 HN SER 21 5.598 -11.978 -11.250 749 HA SER 21 HA SER 21 3.826 -12.853 -13.370 750 1HB SER 21 HBS SER 21 5.227 -14.507 -12.476 751 2HB SER 21 HBR SER 21 4.777 -14.112 -10.792 752 HG SER 21 HG SER 21 3.341 -15.549 -10.879 753 H ASP 22 HN ASP 22 1.694 -13.763 -12.925 754 HA ASP 22 HA ASP 22 0.036 -11.726 -12.019 755 1HB ASP 22 HBS ASP 22 -1.829 -13.304 -12.310 756 2HB ASP 22 HBR ASP 22 -0.713 -13.206 -13.703 757 H ASP 23 HN ASP 23 1.148 -14.615 -10.338 758 HA ASP 23 HA ASP 23 -0.357 -14.362 -8.036 759 1HB ASP 23 HBS ASP 23 1.902 -15.860 -8.867 760 2HB ASP 23 HBR ASP 23 2.230 -15.204 -7.238 761 H ALA 24 HN ALA 24 2.941 -13.032 -8.481 762 HA ALA 24 HA ALA 24 3.058 -11.807 -6.017 763 1HB ALA 24 HMB ALA 24 4.836 -12.174 -7.895 764 2HB ALA 24 HMB ALA 24 4.401 -10.511 -8.366 765 3HB ALA 24 HMB ALA 24 5.019 -10.840 -6.727 766 H ARG 25 HN ARG 25 2.006 -10.358 -9.105 767 HA ARG 25 HA ARG 25 1.750 -7.758 -8.163 768 1HB ARG 25 HBR ARG 25 0.095 -7.486 -10.108 769 2HB ARG 25 HBS ARG 25 1.775 -7.976 -10.470 770 1HG ARG 25 HGS ARG 25 0.714 -10.407 -10.356 771 2HG ARG 25 HGR ARG 25 -0.781 -9.510 -10.743 772 1HD ARG 25 HDS ARG 25 1.081 -8.426 -12.455 773 2HD ARG 25 HDR ARG 25 1.523 -10.156 -12.400 774 HE ARG 25 HE ARG 25 -1.270 -9.306 -12.967 775 1HH1 ARG 25 HH1 ARG 25 1.736 -10.775 -14.076 776 2HH1 ARG 25 HH1 ARG 25 0.963 -11.660 -15.349 777 1HH2 ARG 25 HH2 ARG 25 -2.263 -10.568 -14.566 778 2HH2 ARG 25 HH2 ARG 25 -1.300 -11.538 -15.630 779 H ILE 26 HN ILE 26 -0.678 -10.355 -8.259 780 HA ILE 26 HA ILE 26 -2.746 -8.793 -6.948 781 HB ILE 26 HB ILE 26 -2.307 -11.744 -7.546 782 1HG1 ILE 26 HG1 ILE 26 -4.259 -11.478 -8.944 783 2HG1 ILE 26 HG1 ILE 26 -4.534 -9.827 -8.320 784 1HG2 ILE 26 HMG ILE 26 -3.491 -11.282 -5.242 785 2HG2 ILE 26 HMG ILE 26 -4.881 -10.902 -6.293 786 3HG2 ILE 26 HMG ILE 26 -4.107 -12.507 -6.384 787 1HD1 ILE 26 HMD ILE 26 -1.893 -10.336 -9.586 788 2HD1 ILE 26 HMD ILE 26 -3.314 -10.346 -10.663 789 3HD1 ILE 26 HMD ILE 26 -2.960 -8.910 -9.669 790 H THR 27 HN THR 27 -0.021 -10.832 -6.000 791 HA THR 27 HA THR 27 -0.847 -11.263 -3.351 792 HB THR 27 HB THR 27 1.907 -11.436 -4.685 793 HG1 THR 27 HG1 THR 27 1.445 -13.171 -5.017 794 1HG2 THR 27 HMG THR 27 1.574 -11.297 -1.921 795 2HG2 THR 27 HMG THR 27 1.663 -13.040 -2.281 796 3HG2 THR 27 HMG THR 27 2.973 -11.953 -2.810 797 H LEU 28 HN LEU 28 1.414 -8.854 -4.701 798 HA LEU 28 HA LEU 28 1.777 -7.293 -2.335 799 1HB LEU 28 HBR LEU 28 2.805 -7.338 -4.803 800 2HB LEU 28 HBS LEU 28 1.583 -6.063 -5.047 801 HG LEU 28 HG LEU 28 2.627 -4.593 -3.569 802 1HD1 LEU 28 HMD LEU 28 3.804 -7.055 -2.412 803 2HD1 LEU 28 HMD LEU 28 4.877 -5.634 -2.472 804 3HD1 LEU 28 HMD LEU 28 3.309 -5.531 -1.631 805 1HD2 LEU 28 HMD LEU 28 3.787 -5.318 -5.797 806 2HD2 LEU 28 HMD LEU 28 4.632 -4.241 -4.657 807 3HD2 LEU 28 HMD LEU 28 5.038 -5.975 -4.711 808 H ALA 29 HN ALA 29 -0.453 -6.877 -5.105 809 HA ALA 29 HA ALA 29 -1.803 -4.730 -4.147 810 1HB ALA 29 HMB ALA 29 -2.471 -6.906 -6.061 811 2HB ALA 29 HMB ALA 29 -3.799 -5.841 -5.536 812 3HB ALA 29 HMB ALA 29 -2.351 -5.144 -6.304 813 H LYS 30 HN LYS 30 -2.346 -8.087 -3.271 814 HA LYS 30 HA LYS 30 -4.677 -7.518 -1.667 815 1HB LYS 30 HBR LYS 30 -3.732 -9.776 -2.756 816 2HB LYS 30 HBS LYS 30 -3.011 -9.931 -1.128 817 1HG LYS 30 HGR LYS 30 -5.965 -9.623 -1.793 818 2HG LYS 30 HGS LYS 30 -5.146 -11.096 -1.199 819 1HD LYS 30 HDS LYS 30 -5.631 -8.521 0.288 820 2HD LYS 30 HDR LYS 30 -6.339 -10.087 0.581 821 1HE LYS 30 HES LYS 30 -3.408 -10.099 0.659 822 2HE LYS 30 HER LYS 30 -4.200 -9.082 1.897 823 1HZ LYS 30 HZA LYS 30 -5.644 -11.166 2.190 824 2HZ LYS 30 HZB LYS 30 -4.398 -11.957 1.488 825 3HZ LYS 30 HZC LYS 30 -4.159 -11.121 2.871 826 H ILE 31 HN ILE 31 -1.202 -7.767 -1.116 827 HA ILE 31 HA ILE 31 -1.250 -7.601 1.756 828 HB ILE 31 HB ILE 31 0.786 -7.095 -0.439 829 1HG1 ILE 31 HG1 ILE 31 1.225 -8.966 1.842 830 2HG1 ILE 31 HG1 ILE 31 -0.102 -9.356 0.709 831 1HG2 ILE 31 HMG ILE 31 1.324 -6.647 2.507 832 2HG2 ILE 31 HMG ILE 31 2.545 -6.723 1.209 833 3HG2 ILE 31 HMG ILE 31 1.341 -5.409 1.223 834 1HD1 ILE 31 HMD ILE 31 1.807 -8.868 -1.087 835 2HD1 ILE 31 HMD ILE 31 2.852 -9.345 0.278 836 3HD1 ILE 31 HMD ILE 31 1.604 -10.468 -0.323 837 H LEU 32 HN LEU 32 -0.243 -5.082 -0.578 838 HA LEU 32 HA LEU 32 -0.251 -3.054 1.235 839 1HB LEU 32 HBR LEU 32 -0.273 -3.337 -1.703 840 2HB LEU 32 HBS LEU 32 -0.728 -1.721 -1.094 841 HG LEU 32 HG LEU 32 1.548 -2.258 0.336 842 1HD1 LEU 32 HMD LEU 32 1.706 -3.571 -2.375 843 2HD1 LEU 32 HMD LEU 32 3.145 -2.856 -1.608 844 3HD1 LEU 32 HMD LEU 32 2.267 -4.175 -0.796 845 1HD2 LEU 32 HMD LEU 32 0.701 -0.679 -2.010 846 2HD2 LEU 32 HMD LEU 32 1.525 -0.170 -0.515 847 3HD2 LEU 32 HMD LEU 32 2.462 -0.892 -1.847 848 H GLU 33 HN GLU 33 -2.977 -4.120 -0.755 849 HA GLU 33 HA GLU 33 -4.746 -1.973 -0.178 850 1HB GLU 33 HBR GLU 33 -4.971 -3.694 -1.945 851 2HB GLU 33 HBS GLU 33 -5.150 -4.875 -0.766 852 1HG GLU 33 HGS GLU 33 -7.093 -2.857 -0.221 853 2HG GLU 33 HGR GLU 33 -7.311 -3.391 -1.910 854 H GLU 34 HN GLU 34 -4.237 -5.131 1.426 855 HA GLU 34 HA GLU 34 -6.072 -4.884 3.481 856 1HB GLU 34 HBR GLU 34 -4.271 -6.685 2.717 857 2HB GLU 34 HBS GLU 34 -3.319 -5.929 3.875 858 1HG GLU 34 HGS GLU 34 -5.968 -6.530 4.924 859 2HG GLU 34 HGR GLU 34 -5.060 -8.010 4.515 860 H MET 35 HN MET 35 -2.755 -3.594 3.303 861 HA MET 35 HA MET 35 -2.832 -2.304 5.837 862 1HB MET 35 HBS MET 35 -1.166 -1.755 3.362 863 2HB MET 35 HBR MET 35 -0.897 -1.001 4.955 864 1HG MET 35 HGS MET 35 -1.022 -4.029 4.630 865 2HG MET 35 HGR MET 35 0.480 -3.128 4.322 866 1HE MET 35 HME MET 35 -1.482 -4.978 6.325 867 2HE MET 35 HME MET 35 -0.295 -5.189 7.635 868 3HE MET 35 HME MET 35 -1.777 -4.242 7.921 869 H GLY 36 HN GLY 36 -3.609 -1.207 2.544 870 1HA GLY 36 HAR GLY 36 -3.921 1.522 3.176 871 2HA GLY 36 HAS GLY 36 -4.597 0.707 1.741 872 H ARG 37 HN ARG 37 -6.306 -1.126 2.943 873 HA ARG 37 HA ARG 37 -8.599 0.376 3.823 874 1HB ARG 37 HBR ARG 37 -8.051 -2.279 3.051 875 2HB ARG 37 HBS ARG 37 -8.599 -2.363 4.750 876 1HG ARG 37 HGS ARG 37 -10.665 -1.253 4.201 877 2HG ARG 37 HGR ARG 37 -10.108 -0.941 2.534 878 1HD ARG 37 HDS ARG 37 -11.711 -2.872 2.893 879 2HD ARG 37 HDR ARG 37 -10.229 -3.193 1.950 880 HE ARG 37 HE ARG 37 -9.623 -4.725 3.550 881 1HH1 ARG 37 HH1 ARG 37 -12.155 -2.670 4.891 882 2HH1 ARG 37 HH1 ARG 37 -12.132 -3.461 6.431 883 1HH2 ARG 37 HH2 ARG 37 -9.532 -5.650 5.617 884 2HH2 ARG 37 HH2 ARG 37 -10.649 -5.148 6.843 885 H ASP 38 HN ASP 38 -5.840 -1.153 5.375 886 HA ASP 38 HA ASP 38 -6.925 -1.137 7.973 887 1HB ASP 38 HBS ASP 38 -4.419 -1.858 6.721 888 2HB ASP 38 HBR ASP 38 -4.178 -1.109 8.326 889 H ILE 39 HN ILE 39 -4.749 1.168 6.357 890 HA ILE 39 HA ILE 39 -4.439 2.820 8.727 891 HB ILE 39 HB ILE 39 -3.811 3.502 5.815 892 1HG1 ILE 39 HG1 ILE 39 -1.771 2.402 7.746 893 2HG1 ILE 39 HG1 ILE 39 -2.865 1.293 6.872 894 1HG2 ILE 39 HMG ILE 39 -3.768 5.189 7.914 895 2HG2 ILE 39 HMG ILE 39 -2.119 4.517 8.017 896 3HG2 ILE 39 HMG ILE 39 -2.668 5.306 6.515 897 1HD1 ILE 39 HMD ILE 39 -1.337 3.356 5.325 898 2HD1 ILE 39 HMD ILE 39 -0.494 1.896 5.909 899 3HD1 ILE 39 HMD ILE 39 -1.906 1.740 4.829 900 H ALA 40 HN ALA 40 -6.672 2.538 6.078 901 HA ALA 40 HA ALA 40 -7.956 5.085 6.259 902 1HB ALA 40 HMB ALA 40 -8.258 3.323 4.475 903 2HB ALA 40 HMB ALA 40 -9.278 2.438 5.636 904 3HB ALA 40 HMB ALA 40 -9.748 4.072 5.102 905 H SER 41 HN SER 41 -8.655 1.928 7.807 906 HA SER 41 HA SER 41 -10.934 2.974 9.169 907 1HB SER 41 HBS SER 41 -10.871 0.737 10.355 908 2HB SER 41 HBR SER 41 -11.029 0.708 8.575 909 HG SER 41 HG SER 41 -9.045 0.023 8.257 910 H GLU 42 HN GLU 42 -7.585 2.366 10.099 911 HA GLU 42 HA GLU 42 -7.811 3.099 12.887 912 1HB GLU 42 HBR GLU 42 -5.665 3.035 10.780 913 2HB GLU 42 HBS GLU 42 -5.410 3.872 12.212 914 1HG GLU 42 HGS GLU 42 -4.623 1.425 12.119 915 2HG GLU 42 HGR GLU 42 -5.374 1.999 13.633 916 H ALA 43 HN ALA 43 -7.332 4.824 9.809 917 HA ALA 43 HA ALA 43 -7.246 7.409 11.038 918 1HB ALA 43 HMB ALA 43 -7.590 6.435 8.201 919 2HB ALA 43 HMB ALA 43 -7.587 8.163 8.635 920 3HB ALA 43 HMB ALA 43 -6.156 7.156 8.974 921 H ILE 44 HN ILE 44 -9.804 5.273 10.240 922 HA ILE 44 HA ILE 44 -11.732 7.325 9.795 923 HB ILE 44 HB ILE 44 -11.487 4.687 9.135 924 1HG1 ILE 44 HG1 ILE 44 -14.255 5.403 8.850 925 2HG1 ILE 44 HG1 ILE 44 -13.247 6.872 8.691 926 1HG2 ILE 44 HMG ILE 44 -13.276 4.668 11.505 927 2HG2 ILE 44 HMG ILE 44 -13.808 3.780 10.054 928 3HG2 ILE 44 HMG ILE 44 -12.237 3.399 10.804 929 1HD1 ILE 44 HMD ILE 44 -11.998 4.769 7.223 930 2HD1 ILE 44 HMD ILE 44 -13.722 4.815 6.772 931 3HD1 ILE 44 HMD ILE 44 -12.718 6.282 6.614 932 H LYS 45 HN LYS 45 -11.588 4.887 12.432 933 HA LYS 45 HA LYS 45 -13.139 6.289 14.307 934 1HB LYS 45 HBR LYS 45 -12.394 3.959 14.598 935 2HB LYS 45 HBS LYS 45 -10.723 4.535 14.857 936 1HG LYS 45 HGR LYS 45 -11.583 4.130 17.022 937 2HG LYS 45 HGS LYS 45 -11.662 5.902 16.810 938 1HD LYS 45 HDS LYS 45 -13.949 5.934 16.594 939 2HD LYS 45 HDR LYS 45 -14.033 4.273 16.077 940 1HE LYS 45 HES LYS 45 -12.967 4.181 18.674 941 2HE LYS 45 HER LYS 45 -14.309 5.360 18.701 942 1HZ LYS 45 HZC LYS 45 -15.657 3.648 17.613 943 2HZ LYS 45 HZA LYS 45 -14.436 2.575 17.773 944 3HZ LYS 45 HZB LYS 45 -15.153 3.200 19.101 945 H LEU 46 HN LEU 46 -9.790 6.703 13.314 946 HA LEU 46 HA LEU 46 -8.944 8.565 15.249 947 1HB LEU 46 HBR LEU 46 -8.254 7.756 12.488 948 2HB LEU 46 HBS LEU 46 -7.731 9.397 12.966 949 HG LEU 46 HG LEU 46 -7.071 6.936 14.587 950 1HD1 LEU 46 HMD LEU 46 -5.882 7.971 12.069 951 2HD1 LEU 46 HMD LEU 46 -4.741 7.585 13.383 952 3HD1 LEU 46 HMD LEU 46 -5.852 6.333 12.772 953 1HD2 LEU 46 HMD LEU 46 -6.523 9.838 14.632 954 2HD2 LEU 46 HMD LEU 46 -6.525 8.644 15.955 955 3HD2 LEU 46 HMD LEU 46 -5.100 8.799 14.896 956 H ALA 47 HN ALA 47 -10.853 8.988 12.279 957 HA ALA 47 HA ALA 47 -10.842 11.830 12.374 958 1HB ALA 47 HMB ALA 47 -11.599 9.859 10.579 959 2HB ALA 47 HMB ALA 47 -13.132 10.661 11.002 960 3HB ALA 47 HMB ALA 47 -11.770 11.620 10.367 961 H ARG 48 HN ARG 48 -13.068 9.368 13.605 962 HA ARG 48 HA ARG 48 -15.057 11.180 14.643 963 1HB ARG 48 HBR ARG 48 -14.245 8.358 15.391 964 2HB ARG 48 HBS ARG 48 -15.556 9.264 16.203 965 1HG ARG 48 HGS ARG 48 -16.851 8.205 14.686 966 2HG ARG 48 HGR ARG 48 -16.318 9.535 13.618 967 1HD ARG 48 HDS ARG 48 -15.288 8.126 12.279 968 2HD ARG 48 HDR ARG 48 -14.365 7.432 13.641 969 HE ARG 48 HE ARG 48 -16.137 5.822 13.953 970 1HH1 ARG 48 HH1 ARG 48 -16.694 7.918 11.173 971 2HH1 ARG 48 HH1 ARG 48 -17.661 6.745 10.345 972 1HH2 ARG 48 HH2 ARG 48 -17.299 4.266 12.781 973 2HH2 ARG 48 HH2 ARG 48 -18.005 4.679 11.255 974 H HIS 49 HN HIS 49 -12.231 9.503 16.068 975 HA HIS 49 HA HIS 49 -12.318 10.686 18.575 976 1HB HIS 49 HBS HIS 49 -10.653 8.860 17.530 977 2HB HIS 49 HBR HIS 49 -9.590 10.290 17.393 978 HD1 HIS 49 HD1 HIS 49 -10.256 7.642 19.710 979 HD2 HIS 49 HD2 HIS 49 -9.676 11.752 20.066 980 HE1 HIS 49 HE1 HIS 49 -9.462 8.044 22.054 981 HE2 HIS 49 HE2 HIS 49 -9.087 10.526 22.268 982 H ALA 50 HN ALA 50 -10.809 11.895 15.596 983 HA ALA 50 HA ALA 50 -9.715 14.265 16.570 984 1HB ALA 50 HMB ALA 50 -11.085 13.759 13.914 985 2HB ALA 50 HMB ALA 50 -10.008 15.128 14.291 986 3HB ALA 50 HMB ALA 50 -9.372 13.463 14.306 987 H GLY 51 HN GLY 51 -13.049 13.625 15.463 988 1HA GLY 51 HAR GLY 51 -14.793 14.849 16.746 989 2HA GLY 51 HAS GLY 51 -13.846 16.333 16.458 990 H ARG 52 HN ARG 52 -13.947 13.951 13.938 991 HA ARG 52 HA ARG 52 -15.126 13.686 11.997 992 1HB ARG 52 HBR ARG 52 -17.055 14.455 13.981 993 2HB ARG 52 HBS ARG 52 -17.476 15.221 12.422 994 1HG ARG 52 HGS ARG 52 -17.080 12.261 12.963 995 2HG ARG 52 HGR ARG 52 -18.619 13.100 12.616 996 1HD ARG 52 HDS ARG 52 -16.250 12.893 10.755 997 2HD ARG 52 HDR ARG 52 -17.738 11.909 10.671 998 HE ARG 52 HE ARG 52 -18.748 14.402 10.543 999 1HH1 ARG 52 HH1 ARG 52 -16.258 12.713 8.706 1000 2HH1 ARG 52 HH1 ARG 52 -16.384 13.777 7.347 1001 1HH2 ARG 52 HH2 ARG 52 -18.793 15.850 8.799 1002 2HH2 ARG 52 HH2 ARG 52 -17.820 15.552 7.398 1003 H LYS 53 HN LYS 53 -13.944 14.777 10.550 1004 HA LYS 53 HA LYS 53 -15.312 16.848 9.206 1005 1HB LYS 53 HBR LYS 53 -13.925 18.031 11.187 1006 2HB LYS 53 HBS LYS 53 -12.639 17.924 9.952 1007 1HG LYS 53 HGR LYS 53 -15.279 18.967 9.040 1008 2HG LYS 53 HGS LYS 53 -14.346 20.009 10.150 1009 1HD LYS 53 HDS LYS 53 -12.465 20.031 8.689 1010 2HD LYS 53 HDR LYS 53 -13.164 18.801 7.672 1011 1HE LYS 53 HES LYS 53 -14.571 20.219 6.605 1012 2HE LYS 53 HER LYS 53 -14.737 21.279 8.032 1013 1HZ LYS 53 HZB LYS 53 -12.169 21.551 7.383 1014 2HZ LYS 53 HZC LYS 53 -12.840 21.387 5.903 1015 3HZ LYS 53 HZA LYS 53 -13.355 22.568 6.907 1016 H THR 54 HN THR 54 -15.036 15.142 7.705 1017 HA THR 54 HA THR 54 -14.026 13.766 6.190 1018 HB THR 54 HB THR 54 -13.647 16.130 5.247 1019 HG1 THR 54 HG1 THR 54 -13.493 14.847 3.993 1020 1HG2 THR 54 HMG THR 54 -11.104 15.823 6.698 1021 2HG2 THR 54 HMG THR 54 -10.934 16.296 4.988 1022 3HG2 THR 54 HMG THR 54 -11.923 17.287 6.091 1023 H ILE 55 HN ILE 55 -11.627 13.102 5.380 1024 HA ILE 55 HA ILE 55 -10.057 12.460 7.832 1025 HB ILE 55 HB ILE 55 -10.357 10.844 5.254 1026 1HG1 ILE 55 HG1 ILE 55 -11.236 10.393 8.125 1027 2HG1 ILE 55 HG1 ILE 55 -12.257 10.563 6.668 1028 1HG2 ILE 55 HMG ILE 55 -8.065 10.989 6.769 1029 2HG2 ILE 55 HMG ILE 55 -8.901 9.563 7.440 1030 3HG2 ILE 55 HMG ILE 55 -8.536 9.645 5.696 1031 1HD1 ILE 55 HMD ILE 55 -11.080 8.418 5.849 1032 2HD1 ILE 55 HMD ILE 55 -10.573 8.222 7.548 1033 3HD1 ILE 55 HMD ILE 55 -12.308 8.276 7.136 1034 H LYS 56 HN LYS 56 -7.954 12.973 7.850 1035 HA LYS 56 HA LYS 56 -6.957 14.581 5.544 1036 1HB LYS 56 HBR LYS 56 -7.979 15.631 7.877 1037 2HB LYS 56 HBS LYS 56 -6.228 15.548 8.221 1038 1HG LYS 56 HGR LYS 56 -6.256 16.613 5.684 1039 2HG LYS 56 HGS LYS 56 -7.733 17.321 6.398 1040 1HD LYS 56 HDS LYS 56 -5.995 17.695 8.427 1041 2HD LYS 56 HDR LYS 56 -4.889 17.732 7.082 1042 1HE LYS 56 HES LYS 56 -7.039 19.326 6.268 1043 2HE LYS 56 HER LYS 56 -6.726 19.739 7.976 1044 1HZ LYS 56 HZC LYS 56 -4.672 19.664 5.874 1045 2HZ LYS 56 HZA LYS 56 -5.401 21.024 6.412 1046 3HZ LYS 56 HZB LYS 56 -4.463 20.147 7.421 1047 H ALA 57 HN ALA 57 -4.617 15.301 6.076 1048 HA ALA 57 HA ALA 57 -3.061 13.024 5.897 1049 1HB ALA 57 HMB ALA 57 -2.668 15.653 5.441 1050 2HB ALA 57 HMB ALA 57 -1.683 15.442 6.910 1051 3HB ALA 57 HMB ALA 57 -1.364 14.440 5.472 1052 H GLU 58 HN GLU 58 -3.413 15.199 8.716 1053 HA GLU 58 HA GLU 58 -1.693 13.817 10.434 1054 1HB GLU 58 HBR GLU 58 -4.002 15.692 10.694 1055 2HB GLU 58 HBS GLU 58 -3.557 14.830 12.064 1056 1HG GLU 58 HGS GLU 58 -1.670 16.568 10.502 1057 2HG GLU 58 HGR GLU 58 -2.351 17.013 12.090 1058 H ASP 59 HN ASP 59 -5.072 13.233 9.608 1059 HA ASP 59 HA ASP 59 -5.457 11.181 11.556 1060 1HB ASP 59 HBS ASP 59 -7.022 12.489 9.547 1061 2HB ASP 59 HBR ASP 59 -7.238 10.718 9.440 1062 H ILE 60 HN ILE 60 -4.713 11.081 8.069 1063 HA ILE 60 HA ILE 60 -4.382 8.319 7.839 1064 HB ILE 60 HB ILE 60 -2.959 10.591 6.371 1065 1HG1 ILE 60 HG1 ILE 60 -5.310 10.813 6.144 1066 2HG1 ILE 60 HG1 ILE 60 -4.706 10.106 4.618 1067 1HG2 ILE 60 HMG ILE 60 -1.719 8.513 6.071 1068 2HG2 ILE 60 HMG ILE 60 -3.211 7.689 5.546 1069 3HG2 ILE 60 HMG ILE 60 -2.529 9.012 4.563 1070 1HD1 ILE 60 HMD ILE 60 -5.367 7.903 6.202 1071 2HD1 ILE 60 HMD ILE 60 -6.670 9.085 6.498 1072 3HD1 ILE 60 HMD ILE 60 -6.298 8.565 4.832 1073 H GLU 61 HN GLU 61 -2.118 10.796 8.972 1074 HA GLU 61 HA GLU 61 0.154 9.018 8.936 1075 1HB GLU 61 HBR GLU 61 -0.495 11.817 9.750 1076 2HB GLU 61 HBS GLU 61 0.842 11.095 10.463 1077 1HG GLU 61 HGS GLU 61 2.072 10.796 8.550 1078 2HG GLU 61 HGR GLU 61 0.681 10.953 7.443 1079 H LEU 62 HN LEU 62 -2.107 10.227 11.385 1080 HA LEU 62 HA LEU 62 -0.917 8.968 13.674 1081 1HB LEU 62 HBR LEU 62 -3.712 9.855 12.928 1082 2HB LEU 62 HBS LEU 62 -3.300 9.146 14.515 1083 HG LEU 62 HG LEU 62 -2.254 11.739 13.350 1084 1HD1 LEU 62 HMD LEU 62 -4.220 11.024 15.532 1085 2HD1 LEU 62 HMD LEU 62 -3.386 12.597 15.483 1086 3HD1 LEU 62 HMD LEU 62 -4.446 12.109 14.137 1087 1HD2 LEU 62 HMD LEU 62 -0.590 10.438 14.663 1088 2HD2 LEU 62 HMD LEU 62 -1.060 11.968 15.446 1089 3HD2 LEU 62 HMD LEU 62 -1.729 10.425 16.035 1090 H ALA 63 HN ALA 63 -3.446 7.964 11.350 1091 HA ALA 63 HA ALA 63 -3.866 5.403 12.300 1092 1HB ALA 63 HMB ALA 63 -3.912 6.402 9.440 1093 2HB ALA 63 HMB ALA 63 -4.610 4.862 10.005 1094 3HB ALA 63 HMB ALA 63 -5.256 6.409 10.610 1095 H VAL 64 HN VAL 64 -1.557 6.382 9.737 1096 HA VAL 64 HA VAL 64 -0.617 3.756 9.471 1097 HB VAL 64 HB VAL 64 -0.582 6.078 8.046 1098 1HG1 VAL 64 HMG VAL 64 1.929 6.194 9.281 1099 2HG1 VAL 64 HMG VAL 64 2.241 5.582 7.641 1100 3HG1 VAL 64 HMG VAL 64 1.355 7.108 7.867 1101 1HG2 VAL 64 HMG VAL 64 0.015 3.305 7.650 1102 2HG2 VAL 64 HMG VAL 64 -0.649 4.515 6.525 1103 3HG2 VAL 64 HMG VAL 64 1.113 4.299 6.661 1104 H ARG 65 HN ARG 65 1.118 6.581 10.840 1105 HA ARG 65 HA ARG 65 3.223 5.254 11.939 1106 1HB ARG 65 HBR ARG 65 1.721 7.658 13.000 1107 2HB ARG 65 HBS ARG 65 3.229 7.050 13.741 1108 1HG ARG 65 HGS ARG 65 4.191 7.268 11.321 1109 2HG ARG 65 HGR ARG 65 2.800 8.360 11.064 1110 1HD ARG 65 HDS ARG 65 4.741 9.622 11.711 1111 2HD ARG 65 HDR ARG 65 3.504 9.684 12.998 1112 HE ARG 65 HE ARG 65 6.043 8.144 13.091 1113 1HH1 ARG 65 HH1 ARG 65 3.063 9.148 14.685 1114 2HH1 ARG 65 HH1 ARG 65 3.706 8.914 16.277 1115 1HH2 ARG 65 HH2 ARG 65 6.889 7.968 15.187 1116 2HH2 ARG 65 HH2 ARG 65 5.869 8.240 16.561 1117 H ARG 66 HN ARG 66 -0.069 5.231 13.078 1118 HA ARG 66 HA ARG 66 0.411 4.311 15.778 1119 1HB ARG 66 HBR ARG 66 -1.729 5.293 15.144 1120 2HB ARG 66 HBS ARG 66 -1.998 3.984 13.958 1121 1HG ARG 66 HGS ARG 66 -1.562 3.311 16.856 1122 2HG ARG 66 HGR ARG 66 -3.155 3.908 16.310 1123 1HD ARG 66 HDS ARG 66 -2.194 1.930 14.484 1124 2HD ARG 66 HDR ARG 66 -2.099 1.300 16.151 1125 HE ARG 66 HE ARG 66 -4.619 2.560 15.256 1126 1HH1 ARG 66 HH1 ARG 66 -2.827 -0.423 15.817 1127 2HH1 ARG 66 HH1 ARG 66 -4.256 -1.352 16.122 1128 1HH2 ARG 66 HH2 ARG 66 -6.455 1.343 15.788 1129 2HH2 ARG 66 HH2 ARG 66 -6.310 -0.355 16.102 1130 H PHE 67 HN PHE 67 -0.317 2.752 12.645 1131 HA PHE 67 HA PHE 67 -0.107 0.089 13.476 1132 1HB PHE 67 HBR PHE 67 0.440 1.411 10.807 1133 2HB PHE 67 HBS PHE 67 0.778 -0.325 11.063 1134 HD1 PHE 67 HD2 PHE 67 -1.568 -1.049 12.852 1135 HD2 PHE 67 HD1 PHE 67 -1.281 1.354 9.344 1136 HE1 PHE 67 HE2 PHE 67 -3.974 -1.416 12.410 1137 HE2 PHE 67 HE1 PHE 67 -3.667 1.007 8.888 1138 HZ PHE 67 HZ PHE 67 -4.990 -0.466 10.359 1139 H LYS 68 HN LYS 68 2.453 2.147 12.038 1140 HA LYS 68 HA LYS 68 4.408 0.132 12.025 1141 1HB LYS 68 HBR LYS 68 4.380 3.083 11.691 1142 2HB LYS 68 HBS LYS 68 5.944 2.351 12.154 1143 1HG LYS 68 HGR LYS 68 5.772 2.564 9.722 1144 2HG LYS 68 HGS LYS 68 5.810 0.844 10.204 1145 1HD LYS 68 HDS LYS 68 3.102 1.536 10.164 1146 2HD LYS 68 HDR LYS 68 3.788 2.348 8.783 1147 1HE LYS 68 HES LYS 68 2.996 0.187 8.110 1148 2HE LYS 68 HER LYS 68 4.778 0.253 8.004 1149 1HZ LYS 68 HZC LYS 68 3.807 -0.670 10.516 1150 2HZ LYS 68 HZA LYS 68 3.374 -1.637 9.274 1151 3HZ LYS 68 HZB LYS 68 4.951 -1.307 9.541 1152 H LYS 69 HN LYS 69 4.416 -0.904 14.024 1153 HA LYS 69 HA LYS 69 5.062 -1.340 16.182 1154 1HB LYS 69 HBR LYS 69 7.205 -0.164 15.462 1155 2HB LYS 69 HBS LYS 69 6.527 1.308 16.214 1156 1HG LYS 69 HGR LYS 69 7.975 0.306 17.827 1157 2HG LYS 69 HGS LYS 69 6.301 -0.018 18.360 1158 1HD LYS 69 HDS LYS 69 6.403 -2.247 17.885 1159 2HD LYS 69 HDR LYS 69 7.614 -2.043 16.650 1160 1HE LYS 69 HES LYS 69 8.284 -1.544 19.531 1161 2HE LYS 69 HER LYS 69 8.291 -3.184 18.822 1162 1HZ LYS 69 HZC LYS 69 9.816 -0.915 17.745 1163 2HZ LYS 69 HZA LYS 69 10.440 -2.049 18.741 1164 3HZ LYS 69 HZB LYS 69 9.900 -2.473 17.259 No H/Q in entry = 1164 Start of MODEL 27 Raw file had 1198 H/Q atoms Start of MODEL 27 1 1H MET 1 HN MET 1 -1.551 5.412 -12.642 2 2H MET 1 HNC MET 1 -1.417 6.504 -13.848 3 3H MET 1 HNB MET 1 -1.199 4.916 -14.158 4 HA MET 1 HA MET 1 0.861 4.839 -13.466 5 1HB MET 1 HBS MET 1 0.609 7.852 -13.710 6 2HB MET 1 HBR MET 1 2.071 6.854 -13.952 7 1HG MET 1 HGS MET 1 0.980 5.742 -15.887 8 2HG MET 1 HGR MET 1 -0.468 6.746 -15.628 9 1HE MET 1 HME MET 1 3.287 6.741 -15.824 10 2HE MET 1 HME MET 1 3.760 8.168 -16.779 11 3HE MET 1 HME MET 1 3.324 8.350 -15.062 12 H GLU 2 HN GLU 2 -1.141 7.076 -11.635 13 HA GLU 2 HA GLU 2 0.627 6.671 -9.257 14 1HB GLU 2 HBS GLU 2 -0.548 8.984 -10.640 15 2HB GLU 2 HBR GLU 2 -0.569 9.112 -8.967 16 1HG GLU 2 HGS GLU 2 2.005 8.174 -10.062 17 2HG GLU 2 HGR GLU 2 1.585 9.788 -10.697 18 H LEU 3 HN LEU 3 -0.368 5.837 -7.569 19 HA LEU 3 HA LEU 3 -2.672 4.862 -7.424 20 1HB LEU 3 HBS LEU 3 -0.807 5.850 -5.393 21 2HB LEU 3 HBR LEU 3 -2.419 5.331 -4.797 22 HG LEU 3 HG LEU 3 -2.038 3.273 -6.251 23 1HD1 LEU 3 HMD LEU 3 0.509 4.697 -6.474 24 2HD1 LEU 3 HMD LEU 3 0.657 2.947 -6.170 25 3HD1 LEU 3 HMD LEU 3 -0.288 3.532 -7.563 26 1HD2 LEU 3 HMD LEU 3 -1.277 3.885 -3.550 27 2HD2 LEU 3 HMD LEU 3 -1.722 2.299 -4.226 28 3HD2 LEU 3 HMD LEU 3 -0.021 2.822 -4.229 29 HA PRO 4 HA PRO 4 -5.339 8.437 -7.644 30 1HB PRO 4 HBR PRO 4 -7.458 6.937 -8.504 31 2HB PRO 4 HBS PRO 4 -6.495 7.895 -9.424 32 1HG PRO 4 HGS PRO 4 -6.594 5.191 -9.457 33 2HG PRO 4 HGR PRO 4 -5.554 6.160 -10.330 34 1HD PRO 4 HDR PRO 4 -4.990 4.632 -8.073 35 2HD PRO 4 HDS PRO 4 -3.924 5.401 -9.076 36 H ILE 5 HN ILE 5 -6.956 9.469 -6.576 37 HA ILE 5 HA ILE 5 -7.241 8.299 -3.899 38 HB ILE 5 HB ILE 5 -8.050 10.494 -3.218 39 1HG1 ILE 5 HG1 ILE 5 -9.285 10.842 -5.448 40 2HG1 ILE 5 HG1 ILE 5 -8.619 12.267 -4.604 41 1HG2 ILE 5 HMG ILE 5 -5.568 10.577 -4.932 42 2HG2 ILE 5 HMG ILE 5 -6.084 11.923 -3.880 43 3HG2 ILE 5 HMG ILE 5 -5.706 10.330 -3.171 44 1HD1 ILE 5 HMD ILE 5 -6.558 11.820 -6.212 45 2HD1 ILE 5 HMD ILE 5 -7.813 11.020 -7.197 46 3HD1 ILE 5 HMD ILE 5 -7.992 12.737 -6.746 47 H ALA 6 HN ALA 6 -9.024 8.436 -6.792 48 HA ALA 6 HA ALA 6 -11.653 8.275 -5.678 49 1HB ALA 6 HMB ALA 6 -10.367 7.787 -8.318 50 2HB ALA 6 HMB ALA 6 -11.940 7.007 -8.013 51 3HB ALA 6 HMB ALA 6 -11.785 8.778 -7.889 52 HA PRO 7 HA PRO 7 -10.993 3.499 -6.132 53 1HB PRO 7 HBS PRO 7 -8.426 2.780 -6.468 54 2HB PRO 7 HBR PRO 7 -9.579 2.713 -7.635 55 1HG PRO 7 HGR PRO 7 -7.478 4.540 -7.354 56 2HG PRO 7 HGS PRO 7 -8.379 4.180 -8.710 57 1HD PRO 7 HDS PRO 7 -8.634 6.406 -7.225 58 2HD PRO 7 HDR PRO 7 -9.721 5.880 -8.354 59 H ILE 8 HN ILE 8 -8.020 4.803 -4.871 60 HA ILE 8 HA ILE 8 -8.002 3.403 -2.473 61 HB ILE 8 HB ILE 8 -6.996 6.225 -3.081 62 1HG1 ILE 8 HG1 ILE 8 -5.737 3.468 -3.251 63 2HG1 ILE 8 HG1 ILE 8 -6.044 4.625 -4.576 64 1HG2 ILE 8 HMG ILE 8 -7.231 5.767 -0.632 65 2HG2 ILE 8 HMG ILE 8 -6.064 4.433 -0.834 66 3HG2 ILE 8 HMG ILE 8 -5.569 6.110 -1.181 67 1HD1 ILE 8 HMD ILE 8 -4.243 5.470 -2.343 68 2HD1 ILE 8 HMD ILE 8 -3.629 4.297 -3.539 69 3HD1 ILE 8 HMD ILE 8 -4.208 5.897 -4.074 70 H GLY 9 HN GLY 9 -9.406 6.637 -3.096 71 1HA GLY 9 HAR GLY 9 -10.294 7.177 -0.567 72 2HA GLY 9 HAS GLY 9 -11.090 7.806 -2.033 73 H ARG 10 HN ARG 10 -11.859 5.159 -3.011 74 HA ARG 10 HA ARG 10 -14.327 4.978 -1.517 75 1HB ARG 10 HBR ARG 10 -15.121 3.580 -3.278 76 2HB ARG 10 HBS ARG 10 -14.214 4.940 -3.999 77 1HG ARG 10 HGS ARG 10 -12.546 3.586 -4.803 78 2HG ARG 10 HGR ARG 10 -12.776 2.353 -3.530 79 1HD ARG 10 HDS ARG 10 -15.138 2.640 -5.165 80 2HD ARG 10 HDR ARG 10 -13.695 2.285 -6.157 81 HE ARG 10 HE ARG 10 -13.597 0.170 -5.216 82 1HH1 ARG 10 HH1 ARG 10 -16.084 2.085 -3.612 83 2HH1 ARG 10 HH1 ARG 10 -16.601 0.772 -2.608 84 1HH2 ARG 10 HH2 ARG 10 -14.215 -1.486 -3.796 85 2HH2 ARG 10 HH2 ARG 10 -15.544 -1.248 -2.712 86 H ILE 11 HN ILE 11 -11.384 3.118 -1.737 87 HA ILE 11 HA ILE 11 -12.253 0.840 -0.258 88 HB ILE 11 HB ILE 11 -9.529 2.216 -0.434 89 1HG1 ILE 11 HG1 ILE 11 -10.805 -0.107 -1.915 90 2HG1 ILE 11 HG1 ILE 11 -10.282 1.468 -2.576 91 1HG2 ILE 11 HMG ILE 11 -10.200 0.450 1.525 92 2HG2 ILE 11 HMG ILE 11 -9.588 -0.641 0.253 93 3HG2 ILE 11 HMG ILE 11 -8.558 0.680 0.866 94 1HD1 ILE 11 HMD ILE 11 -7.927 0.614 -1.626 95 2HD1 ILE 11 HMD ILE 11 -8.697 -0.967 -1.926 96 3HD1 ILE 11 HMD ILE 11 -8.519 0.206 -3.258 97 H ILE 12 HN ILE 12 -11.026 4.039 0.724 98 HA ILE 12 HA ILE 12 -10.883 3.449 3.539 99 HB ILE 12 HB ILE 12 -11.233 6.193 2.250 100 1HG1 ILE 12 HG1 ILE 12 -9.513 5.075 0.998 101 2HG1 ILE 12 HG1 ILE 12 -8.754 6.282 2.072 102 1HG2 ILE 12 HMG ILE 12 -11.333 5.920 4.770 103 2HG2 ILE 12 HMG ILE 12 -9.606 5.483 4.687 104 3HG2 ILE 12 HMG ILE 12 -10.147 7.089 4.131 105 1HD1 ILE 12 HMD ILE 12 -8.886 3.297 2.594 106 2HD1 ILE 12 HMD ILE 12 -7.473 4.184 1.962 107 3HD1 ILE 12 HMD ILE 12 -8.074 4.519 3.608 108 H LYS 13 HN LYS 13 -13.336 4.829 1.372 109 HA LYS 13 HA LYS 13 -15.235 5.518 3.461 110 1HB LYS 13 HBS LYS 13 -15.108 6.323 0.962 111 2HB LYS 13 HBR LYS 13 -16.037 4.830 0.649 112 1HG LYS 13 HGR LYS 13 -17.939 5.686 1.515 113 2HG LYS 13 HGS LYS 13 -17.083 6.472 2.873 114 1HD LYS 13 HDS LYS 13 -17.956 8.252 1.709 115 2HD LYS 13 HDR LYS 13 -16.279 8.186 1.242 116 1HE LYS 13 HES LYS 13 -18.007 8.601 -0.591 117 2HE LYS 13 HER LYS 13 -16.716 7.401 -0.879 118 1HZ LYS 13 HZA LYS 13 -19.215 6.475 0.256 119 2HZ LYS 13 HZB LYS 13 -19.201 6.857 -1.331 120 3HZ LYS 13 HZC LYS 13 -18.184 5.714 -0.757 121 H ASP 14 HN ASP 14 -14.595 2.748 1.320 122 HA ASP 14 HA ASP 14 -16.644 1.138 2.062 123 1HB ASP 14 HBS ASP 14 -14.933 0.710 0.303 124 2HB ASP 14 HBR ASP 14 -13.852 0.112 1.594 125 H ALA 15 HN ALA 15 -13.618 1.631 3.816 126 HA ALA 15 HA ALA 15 -14.114 0.025 6.068 127 1HB ALA 15 HMB ALA 15 -12.400 2.233 5.329 128 2HB ALA 15 HMB ALA 15 -12.979 2.407 7.006 129 3HB ALA 15 HMB ALA 15 -12.135 0.920 6.505 130 H GLY 16 HN GLY 16 -15.180 3.346 5.322 131 1HA GLY 16 HAR GLY 16 -17.506 3.764 6.113 132 2HA GLY 16 HAS GLY 16 -16.945 3.286 7.738 133 H ALA 17 HN ALA 17 -14.630 4.977 5.843 134 HA ALA 17 HA ALA 17 -14.502 7.296 7.385 135 1HB ALA 17 HMB ALA 17 -13.061 6.240 5.344 136 2HB ALA 17 HMB ALA 17 -13.840 7.619 4.526 137 3HB ALA 17 HMB ALA 17 -12.854 7.891 5.986 138 H GLU 18 HN GLU 18 -14.826 9.552 6.502 139 HA GLU 18 HA GLU 18 -17.263 9.779 4.804 140 1HB GLU 18 HBR GLU 18 -16.597 11.022 7.434 141 2HB GLU 18 HBS GLU 18 -17.240 12.028 6.254 142 1HG GLU 18 HGS GLU 18 -19.307 11.343 6.453 143 2HG GLU 18 HGR GLU 18 -18.880 9.617 6.303 144 H ARG 19 HN ARG 19 -14.573 11.663 6.261 145 HA ARG 19 HA ARG 19 -14.260 13.066 3.647 146 1HB ARG 19 HBR ARG 19 -13.972 14.235 6.435 147 2HB ARG 19 HBS ARG 19 -13.742 15.091 4.883 148 1HG ARG 19 HGS ARG 19 -16.370 13.799 5.144 149 2HG ARG 19 HGR ARG 19 -16.056 15.051 6.379 150 1HD ARG 19 HDS ARG 19 -15.309 16.535 4.475 151 2HD ARG 19 HDR ARG 19 -16.013 15.311 3.381 152 HE ARG 19 HE ARG 19 -18.098 16.126 3.903 153 1HH1 ARG 19 HH1 ARG 19 -15.972 16.840 6.624 154 2HH1 ARG 19 HH1 ARG 19 -17.111 17.905 7.375 155 1HH2 ARG 19 HH2 ARG 19 -19.511 17.624 4.850 156 2HH2 ARG 19 HH2 ARG 19 -19.116 18.348 6.374 157 H VAL 20 HN VAL 20 -12.465 12.247 2.817 158 HA VAL 20 HA VAL 20 -10.005 12.507 4.466 159 HB VAL 20 HB VAL 20 -10.452 10.671 2.102 160 1HG1 VAL 20 HMG VAL 20 -8.091 11.741 2.624 161 2HG1 VAL 20 HMG VAL 20 -8.050 10.463 3.862 162 3HG1 VAL 20 HMG VAL 20 -8.262 10.035 2.148 163 1HG2 VAL 20 HMG VAL 20 -11.615 9.867 4.078 164 2HG2 VAL 20 HMG VAL 20 -10.214 8.836 3.700 165 3HG2 VAL 20 HMG VAL 20 -10.121 10.009 5.036 166 H SER 21 HN SER 21 -9.128 14.372 4.053 167 HA SER 21 HA SER 21 -9.779 15.960 1.720 168 1HB SER 21 HBS SER 21 -8.695 16.448 4.251 169 2HB SER 21 HBR SER 21 -7.383 16.816 3.096 170 HG SER 21 HG SER 21 -8.271 18.585 2.643 171 H ASP 22 HN ASP 22 -7.953 16.909 0.415 172 HA ASP 22 HA ASP 22 -7.075 14.801 -1.195 173 1HB ASP 22 HBR ASP 22 -5.834 17.518 -1.402 174 2HB ASP 22 HBS ASP 22 -6.283 16.353 -2.681 175 H ASP 23 HN ASP 23 -5.470 16.473 1.411 176 HA ASP 23 HA ASP 23 -2.879 15.453 1.038 177 1HB ASP 23 HBS ASP 23 -4.115 17.053 2.892 178 2HB ASP 23 HBR ASP 23 -3.664 15.603 3.836 179 H ALA 24 HN ALA 24 -5.368 14.137 3.256 180 HA ALA 24 HA ALA 24 -3.899 11.919 3.964 181 1HB ALA 24 HMB ALA 24 -6.832 12.546 3.986 182 2HB ALA 24 HMB ALA 24 -6.263 10.927 4.466 183 3HB ALA 24 HMB ALA 24 -5.686 12.369 5.339 184 H ARG 25 HN ARG 25 -6.368 12.149 1.397 185 HA ARG 25 HA ARG 25 -6.349 9.530 0.547 186 1HB ARG 25 HBR ARG 25 -6.588 11.988 -1.220 187 2HB ARG 25 HBS ARG 25 -7.100 10.328 -1.639 188 1HG ARG 25 HGS ARG 25 -8.713 10.414 0.270 189 2HG ARG 25 HGR ARG 25 -8.269 12.129 0.508 190 1HD ARG 25 HDS ARG 25 -9.370 10.946 -2.042 191 2HD ARG 25 HDR ARG 25 -10.329 11.809 -0.806 192 HE ARG 25 HE ARG 25 -8.052 13.140 -2.181 193 1HH1 ARG 25 HH1 ARG 25 -11.524 12.880 -1.622 194 2HH1 ARG 25 HH1 ARG 25 -11.834 14.513 -2.109 195 1HH2 ARG 25 HH2 ARG 25 -8.481 15.307 -2.690 196 2HH2 ARG 25 HH2 ARG 25 -10.114 15.885 -2.717 197 H ILE 26 HN ILE 26 -4.169 12.159 -0.474 198 HA ILE 26 HA ILE 26 -2.519 10.452 -2.099 199 HB ILE 26 HB ILE 26 -1.971 13.192 -0.855 200 1HG1 ILE 26 HG1 ILE 26 -3.978 12.955 -2.369 201 2HG1 ILE 26 HG1 ILE 26 -2.764 14.168 -2.865 202 1HG2 ILE 26 HMG ILE 26 -0.288 11.427 -2.460 203 2HG2 ILE 26 HMG ILE 26 -0.495 13.047 -3.176 204 3HG2 ILE 26 HMG ILE 26 0.129 12.880 -1.514 205 1HD1 ILE 26 HMD ILE 26 -3.039 11.379 -4.027 206 2HD1 ILE 26 HMD ILE 26 -3.651 12.882 -4.770 207 3HD1 ILE 26 HMD ILE 26 -1.897 12.644 -4.553 208 H THR 27 HN THR 27 -2.752 11.142 1.290 209 HA THR 27 HA THR 27 0.006 10.724 1.932 210 HB THR 27 HB THR 27 -2.510 10.808 3.691 211 HG1 THR 27 HG1 THR 27 -2.155 12.619 3.872 212 1HG2 THR 27 HMG THR 27 -0.106 9.729 4.505 213 2HG2 THR 27 HMG THR 27 0.022 11.431 5.014 214 3HG2 THR 27 HMG THR 27 -1.353 10.440 5.562 215 H LEU 28 HN LEU 28 -2.926 8.725 2.368 216 HA LEU 28 HA LEU 28 -1.641 6.263 2.998 217 1HB LEU 28 HBR LEU 28 -4.160 7.170 2.847 218 2HB LEU 28 HBS LEU 28 -4.059 6.368 1.259 219 HG LEU 28 HG LEU 28 -3.847 4.246 2.187 220 1HD1 LEU 28 HMD LEU 28 -3.076 5.680 4.727 221 2HD1 LEU 28 HMD LEU 28 -3.713 4.016 4.759 222 3HD1 LEU 28 HMD LEU 28 -2.222 4.381 3.854 223 1HD2 LEU 28 HMD LEU 28 -6.017 5.721 2.584 224 2HD2 LEU 28 HMD LEU 28 -5.886 4.050 3.189 225 3HD2 LEU 28 HMD LEU 28 -5.610 5.422 4.293 226 H ALA 29 HN ALA 29 -2.796 7.541 -0.140 227 HA ALA 29 HA ALA 29 -1.691 5.691 -1.777 228 1HB ALA 29 HMB ALA 29 -3.166 7.509 -2.500 229 2HB ALA 29 HMB ALA 29 -1.817 8.664 -2.355 230 3HB ALA 29 HMB ALA 29 -1.738 7.349 -3.554 231 H LYS 30 HN LYS 30 0.031 8.183 -0.063 232 HA LYS 30 HA LYS 30 2.506 7.654 -1.519 233 1HB LYS 30 HBR LYS 30 1.803 9.931 -0.714 234 2HB LYS 30 HBS LYS 30 2.093 9.359 0.953 235 1HG LYS 30 HGR LYS 30 4.008 10.642 0.126 236 2HG LYS 30 HGS LYS 30 4.457 8.934 0.396 237 1HD LYS 30 HDS LYS 30 3.729 8.822 -2.194 238 2HD LYS 30 HDR LYS 30 4.246 10.485 -2.111 239 1HE LYS 30 HES LYS 30 6.356 9.499 -0.913 240 2HE LYS 30 HER LYS 30 5.835 8.002 -1.736 241 1HZ LYS 30 HZB LYS 30 5.805 10.274 -3.434 242 2HZ LYS 30 HZC LYS 30 7.296 9.977 -2.835 243 3HZ LYS 30 HZA LYS 30 6.500 8.813 -3.660 244 H ILE 31 HN ILE 31 1.000 6.797 1.530 245 HA ILE 31 HA ILE 31 3.229 5.388 2.688 246 HB ILE 31 HB ILE 31 0.211 5.368 2.991 247 1HG1 ILE 31 HG1 ILE 31 1.759 5.643 5.412 248 2HG1 ILE 31 HG1 ILE 31 2.414 6.719 4.144 249 1HG2 ILE 31 HMG ILE 31 1.792 3.052 3.527 250 2HG2 ILE 31 HMG ILE 31 1.291 3.779 5.077 251 3HG2 ILE 31 HMG ILE 31 0.064 3.347 3.857 252 1HD1 ILE 31 HMD ILE 31 -0.505 6.794 4.290 253 2HD1 ILE 31 HMD ILE 31 0.276 7.269 5.821 254 3HD1 ILE 31 HMD ILE 31 0.684 8.124 4.310 255 H LEU 32 HN LEU 32 0.315 4.033 1.104 256 HA LEU 32 HA LEU 32 1.320 1.510 0.870 257 1HB LEU 32 HBR LEU 32 -0.770 3.013 -0.713 258 2HB LEU 32 HBS LEU 32 -0.479 1.262 -0.924 259 HG LEU 32 HG LEU 32 -0.891 1.153 1.644 260 1HD1 LEU 32 HMD LEU 32 -2.091 3.816 0.855 261 2HD1 LEU 32 HMD LEU 32 -2.689 2.864 2.236 262 3HD1 LEU 32 HMD LEU 32 -1.006 3.446 2.218 263 1HD2 LEU 32 HMD LEU 32 -2.373 0.742 -0.657 264 2HD2 LEU 32 HMD LEU 32 -2.818 0.215 0.986 265 3HD2 LEU 32 HMD LEU 32 -3.448 1.752 0.344 266 H GLU 33 HN GLU 33 1.598 4.132 -1.500 267 HA GLU 33 HA GLU 33 2.754 2.672 -3.610 268 1HB GLU 33 HBR GLU 33 2.853 5.510 -2.639 269 2HB GLU 33 HBS GLU 33 3.954 5.015 -3.805 270 1HG GLU 33 HGS GLU 33 2.154 4.134 -5.259 271 2HG GLU 33 HGR GLU 33 0.932 4.878 -4.193 272 H GLU 34 HN GLU 34 4.371 4.523 -0.992 273 HA GLU 34 HA GLU 34 7.048 3.964 -1.907 274 1HB GLU 34 HBS GLU 34 6.438 5.847 -0.613 275 2HB GLU 34 HBR GLU 34 5.779 4.951 0.643 276 1HG GLU 34 HGS GLU 34 7.802 5.175 1.657 277 2HG GLU 34 HGR GLU 34 8.467 3.996 0.494 278 H MET 35 HN MET 35 4.667 2.279 -0.007 279 HA MET 35 HA MET 35 6.381 0.102 0.846 280 1HB MET 35 HBR MET 35 3.634 0.799 1.083 281 2HB MET 35 HBS MET 35 3.719 -0.767 0.237 282 1HG MET 35 HGS MET 35 3.711 -1.400 2.514 283 2HG MET 35 HGR MET 35 5.430 -1.447 2.061 284 1HE MET 35 HME MET 35 7.073 -0.288 2.773 285 2HE MET 35 HME MET 35 6.931 1.487 2.706 286 3HE MET 35 HME MET 35 7.160 0.670 4.273 287 H GLY 36 HN GLY 36 4.155 0.631 -1.911 288 1HA GLY 36 HAR GLY 36 4.505 -1.819 -3.101 289 2HA GLY 36 HAS GLY 36 4.031 -0.348 -3.994 290 H ARG 37 HN ARG 37 6.348 1.176 -3.728 291 HA ARG 37 HA ARG 37 8.094 0.087 -5.746 292 1HB ARG 37 HBS ARG 37 7.629 2.581 -4.920 293 2HB ARG 37 HBR ARG 37 9.037 2.220 -3.880 294 1HG ARG 37 HGS ARG 37 10.495 2.262 -5.610 295 2HG ARG 37 HGR ARG 37 9.335 1.522 -6.749 296 1HD ARG 37 HDS ARG 37 9.856 3.787 -7.402 297 2HD ARG 37 HDR ARG 37 8.146 3.646 -6.907 298 HE ARG 37 HE ARG 37 8.564 5.121 -5.184 299 1HH1 ARG 37 HH1 ARG 37 11.629 4.113 -6.606 300 2HH1 ARG 37 HH1 ARG 37 12.571 5.113 -5.551 301 1HH2 ARG 37 HH2 ARG 37 9.837 6.314 -3.737 302 2HH2 ARG 37 HH2 ARG 37 11.559 6.360 -3.929 303 H ASP 38 HN ASP 38 8.261 0.474 -2.203 304 HA ASP 38 HA ASP 38 10.826 -0.521 -1.878 305 1HB ASP 38 HBR ASP 38 8.475 -0.260 -0.066 306 2HB ASP 38 HBS ASP 38 9.910 -1.175 0.481 307 H ILE 39 HN ILE 39 7.758 -2.341 -1.719 308 HA ILE 39 HA ILE 39 9.010 -4.835 -1.007 309 HB ILE 39 HB ILE 39 6.312 -4.489 -2.390 310 1HG1 ILE 39 HG1 ILE 39 6.460 -4.478 0.599 311 2HG1 ILE 39 HG1 ILE 39 6.938 -2.984 -0.252 312 1HG2 ILE 39 HMG ILE 39 7.215 -6.790 -2.037 313 2HG2 ILE 39 HMG ILE 39 7.148 -6.485 -0.281 314 3HG2 ILE 39 HMG ILE 39 5.648 -6.468 -1.246 315 1HD1 ILE 39 HMD ILE 39 4.715 -3.105 -1.458 316 2HD1 ILE 39 HMD ILE 39 4.269 -4.405 -0.321 317 3HD1 ILE 39 HMD ILE 39 4.636 -2.770 0.292 318 H ALA 40 HN ALA 40 8.328 -3.141 -3.999 319 HA ALA 40 HA ALA 40 8.546 -5.305 -5.794 320 1HB ALA 40 HMB ALA 40 7.724 -2.998 -6.308 321 2HB ALA 40 HMB ALA 40 9.418 -2.447 -6.297 322 3HB ALA 40 HMB ALA 40 8.884 -3.657 -7.490 323 H SER 41 HN SER 41 11.049 -2.869 -4.966 324 HA SER 41 HA SER 41 12.990 -4.305 -6.549 325 1HB SER 41 HBS SER 41 12.683 -1.668 -5.472 326 2HB SER 41 HBR SER 41 14.287 -2.310 -5.016 327 HG SER 41 HG SER 41 13.681 -1.111 -7.191 328 H GLU 42 HN GLU 42 11.994 -4.423 -3.282 329 HA GLU 42 HA GLU 42 14.439 -5.721 -2.286 330 1HB GLU 42 HBS GLU 42 12.044 -4.604 -1.332 331 2HB GLU 42 HBR GLU 42 11.959 -6.213 -0.861 332 1HG GLU 42 HGR GLU 42 13.987 -4.053 -0.077 333 2HG GLU 42 HGS GLU 42 12.998 -5.118 0.958 334 H ALA 43 HN ALA 43 11.163 -6.574 -3.416 335 HA ALA 43 HA ALA 43 11.443 -9.434 -2.996 336 1HB ALA 43 HMB ALA 43 9.268 -8.234 -3.133 337 2HB ALA 43 HMB ALA 43 9.594 -7.919 -4.857 338 3HB ALA 43 HMB ALA 43 9.416 -9.594 -4.275 339 H ILE 44 HN ILE 44 11.997 -7.111 -5.617 340 HA ILE 44 HA ILE 44 13.026 -8.984 -7.546 341 HB ILE 44 HB ILE 44 13.346 -5.991 -7.065 342 1HG1 ILE 44 HG1 ILE 44 12.072 -7.423 -9.411 343 2HG1 ILE 44 HG1 ILE 44 11.195 -7.118 -7.883 344 1HG2 ILE 44 HMG ILE 44 15.431 -6.972 -8.131 345 2HG2 ILE 44 HMG ILE 44 14.399 -7.378 -9.529 346 3HG2 ILE 44 HMG ILE 44 14.594 -5.677 -9.028 347 1HD1 ILE 44 HMD ILE 44 11.891 -4.646 -8.254 348 2HD1 ILE 44 HMD ILE 44 12.189 -5.153 -9.937 349 3HD1 ILE 44 HMD ILE 44 10.561 -5.328 -9.228 350 H LYS 45 HN LYS 45 14.587 -6.859 -5.110 351 HA LYS 45 HA LYS 45 17.175 -7.887 -5.332 352 1HB LYS 45 HBS LYS 45 16.606 -5.874 -4.046 353 2HB LYS 45 HBR LYS 45 15.803 -6.889 -2.814 354 1HG LYS 45 HGR LYS 45 17.933 -6.384 -1.917 355 2HG LYS 45 HGS LYS 45 18.068 -8.057 -2.530 356 1HD LYS 45 HDS LYS 45 18.789 -6.440 -4.687 357 2HD LYS 45 HDR LYS 45 19.491 -5.652 -3.300 358 1HE LYS 45 HES LYS 45 20.214 -8.162 -2.720 359 2HE LYS 45 HER LYS 45 20.123 -8.268 -4.500 360 1HZ LYS 45 HZC LYS 45 21.494 -6.149 -4.404 361 2HZ LYS 45 HZA LYS 45 21.834 -6.562 -2.861 362 3HZ LYS 45 HZB LYS 45 22.249 -7.562 -4.083 363 H LEU 46 HN LEU 46 14.341 -9.378 -4.100 364 HA LEU 46 HA LEU 46 15.757 -11.177 -2.318 365 1HB LEU 46 HBR LEU 46 12.973 -10.423 -3.020 366 2HB LEU 46 HBS LEU 46 13.214 -12.080 -2.397 367 HG LEU 46 HG LEU 46 14.367 -9.780 -0.872 368 1HD1 LEU 46 HMD LEU 46 11.469 -10.392 -1.265 369 2HD1 LEU 46 HMD LEU 46 12.030 -10.012 0.382 370 3HD1 LEU 46 HMD LEU 46 12.281 -8.841 -0.937 371 1HD2 LEU 46 HMD LEU 46 13.325 -12.565 -0.392 372 2HD2 LEU 46 HMD LEU 46 14.919 -11.870 -0.003 373 3HD2 LEU 46 HMD LEU 46 13.487 -11.409 0.955 374 H ALA 47 HN ALA 47 14.156 -11.363 -5.478 375 HA ALA 47 HA ALA 47 14.650 -14.100 -6.041 376 1HB ALA 47 HMB ALA 47 14.542 -11.661 -7.832 377 2HB ALA 47 HMB ALA 47 14.617 -13.345 -8.411 378 3HB ALA 47 HMB ALA 47 13.222 -12.795 -7.448 379 H ARG 48 HN ARG 48 16.620 -11.169 -6.621 380 HA ARG 48 HA ARG 48 18.750 -12.419 -7.895 381 1HB ARG 48 HBR ARG 48 18.767 -9.961 -6.115 382 2HB ARG 48 HBS ARG 48 20.128 -10.482 -7.150 383 1HG ARG 48 HGS ARG 48 17.826 -10.388 -8.803 384 2HG ARG 48 HGR ARG 48 17.821 -8.896 -7.822 385 1HD ARG 48 HDS ARG 48 19.364 -8.044 -9.133 386 2HD ARG 48 HDR ARG 48 20.480 -9.350 -8.649 387 HE ARG 48 HE ARG 48 18.616 -10.122 -10.737 388 1HH1 ARG 48 HH1 ARG 48 21.598 -8.329 -10.178 389 2HH1 ARG 48 HH1 ARG 48 22.285 -8.781 -11.702 390 1HH2 ARG 48 HH2 ARG 48 19.598 -10.797 -12.665 391 2HH2 ARG 48 HH2 ARG 48 21.152 -10.177 -13.111 392 H HIS 49 HN HIS 49 18.454 -11.605 -4.419 393 HA HIS 49 HA HIS 49 20.865 -12.763 -3.599 394 1HB HIS 49 HBS HIS 49 19.118 -11.321 -2.235 395 2HB HIS 49 HBR HIS 49 18.481 -12.923 -1.761 396 HD1 HIS 49 HD1 HIS 49 22.180 -11.946 -2.169 397 HD2 HIS 49 HD2 HIS 49 19.454 -13.082 0.768 398 HE1 HIS 49 HE1 HIS 49 23.480 -12.140 -0.035 399 HE2 HIS 49 HE2 HIS 49 21.831 -12.804 1.751 400 H ALA 50 HN ALA 50 17.680 -14.209 -4.100 401 HA ALA 50 HA ALA 50 18.299 -16.870 -3.240 402 1HB ALA 50 HMB ALA 50 16.090 -15.568 -4.215 403 2HB ALA 50 HMB ALA 50 16.561 -16.600 -5.590 404 3HB ALA 50 HMB ALA 50 16.248 -17.329 -3.995 405 H GLY 51 HN GLY 51 18.625 -15.143 -6.346 406 1HA GLY 51 HAR GLY 51 20.567 -15.871 -7.728 407 2HA GLY 51 HAS GLY 51 19.997 -17.545 -7.491 408 H ARG 52 HN ARG 52 17.565 -15.111 -7.798 409 HA ARG 52 HA ARG 52 16.292 -14.266 -9.500 410 1HB ARG 52 HBR ARG 52 18.925 -14.573 -10.630 411 2HB ARG 52 HBS ARG 52 17.688 -14.961 -11.859 412 1HG ARG 52 HGS ARG 52 17.396 -12.466 -10.213 413 2HG ARG 52 HGR ARG 52 18.576 -12.499 -11.554 414 1HD ARG 52 HDS ARG 52 16.402 -13.615 -12.727 415 2HD ARG 52 HDR ARG 52 15.637 -12.474 -11.585 416 HE ARG 52 HE ARG 52 17.349 -11.798 -13.884 417 1HH1 ARG 52 HH1 ARG 52 15.873 -10.651 -10.895 418 2HH1 ARG 52 HH1 ARG 52 15.744 -9.019 -11.458 419 1HH2 ARG 52 HH2 ARG 52 17.045 -9.681 -14.633 420 2HH2 ARG 52 HH2 ARG 52 16.408 -8.468 -13.572 421 H LYS 53 HN LYS 53 14.578 -15.610 -9.348 422 HA LYS 53 HA LYS 53 14.152 -17.064 -11.795 423 1HB LYS 53 HBR LYS 53 13.452 -18.623 -9.307 424 2HB LYS 53 HBS LYS 53 13.470 -19.155 -11.012 425 1HG LYS 53 HGR LYS 53 15.920 -19.061 -11.035 426 2HG LYS 53 HGS LYS 53 15.927 -18.475 -9.348 427 1HD LYS 53 HDS LYS 53 14.940 -21.164 -10.303 428 2HD LYS 53 HDR LYS 53 16.467 -20.835 -9.531 429 1HE LYS 53 HES LYS 53 13.792 -20.310 -8.241 430 2HE LYS 53 HER LYS 53 14.780 -21.781 -8.015 431 1HZ LYS 53 HZC LYS 53 16.083 -19.245 -7.571 432 2HZ LYS 53 HZA LYS 53 14.975 -19.696 -6.458 433 3HZ LYS 53 HZB LYS 53 16.253 -20.662 -6.777 434 H THR 54 HN THR 54 12.824 -15.207 -11.990 435 HA THR 54 HA THR 54 10.812 -14.140 -12.012 436 HB THR 54 HB THR 54 9.742 -16.700 -10.699 437 HG1 THR 54 HG1 THR 54 10.871 -17.226 -12.126 438 1HG2 THR 54 HMG THR 54 8.460 -14.497 -12.295 439 2HG2 THR 54 HMG THR 54 7.781 -16.145 -12.294 440 3HG2 THR 54 HMG THR 54 7.932 -15.242 -10.765 441 H ILE 55 HN ILE 55 8.988 -13.310 -10.680 442 HA ILE 55 HA ILE 55 9.567 -13.370 -7.760 443 HB ILE 55 HB ILE 55 8.604 -10.994 -9.425 444 1HG1 ILE 55 HG1 ILE 55 11.077 -11.229 -7.677 445 2HG1 ILE 55 HG1 ILE 55 11.062 -11.619 -9.420 446 1HG2 ILE 55 HMG ILE 55 8.852 -11.253 -6.422 447 2HG2 ILE 55 HMG ILE 55 8.633 -9.716 -7.300 448 3HG2 ILE 55 HMG ILE 55 7.368 -10.972 -7.370 449 1HD1 ILE 55 HMD ILE 55 9.925 -9.095 -9.316 450 2HD1 ILE 55 HMD ILE 55 11.201 -9.033 -8.072 451 3HD1 ILE 55 HMD ILE 55 11.612 -9.481 -9.748 452 H LYS 56 HN LYS 56 7.783 -13.417 -6.407 453 HA LYS 56 HA LYS 56 5.106 -13.905 -7.532 454 1HB LYS 56 HBR LYS 56 5.230 -16.189 -6.232 455 2HB LYS 56 HBS LYS 56 5.747 -16.057 -7.939 456 1HG LYS 56 HGR LYS 56 8.038 -15.487 -6.379 457 2HG LYS 56 HGS LYS 56 7.257 -16.902 -5.617 458 1HD LYS 56 HDS LYS 56 7.276 -17.194 -8.480 459 2HD LYS 56 HDR LYS 56 8.877 -16.798 -7.918 460 1HE LYS 56 HES LYS 56 7.173 -19.088 -6.947 461 2HE LYS 56 HER LYS 56 8.624 -19.170 -7.987 462 1HZ LYS 56 HZC LYS 56 9.616 -17.905 -5.946 463 2HZ LYS 56 HZA LYS 56 8.430 -18.688 -5.142 464 3HZ LYS 56 HZB LYS 56 9.543 -19.535 -5.986 465 H ALA 57 HN ALA 57 3.832 -15.065 -5.585 466 HA ALA 57 HA ALA 57 3.464 -12.906 -3.824 467 1HB ALA 57 HMB ALA 57 2.453 -15.756 -3.611 468 2HB ALA 57 HMB ALA 57 1.817 -14.346 -2.726 469 3HB ALA 57 HMB ALA 57 1.683 -14.417 -4.501 470 H GLU 58 HN GLU 58 5.513 -15.687 -3.606 471 HA GLU 58 HA GLU 58 6.047 -15.665 -0.764 472 1HB GLU 58 HBS GLU 58 7.628 -16.383 -3.196 473 2HB GLU 58 HBR GLU 58 8.223 -16.665 -1.652 474 1HG GLU 58 HGS GLU 58 5.573 -17.730 -2.685 475 2HG GLU 58 HGR GLU 58 7.064 -18.689 -2.889 476 H ASP 59 HN ASP 59 8.111 -14.551 -3.478 477 HA ASP 59 HA ASP 59 9.835 -13.181 -1.809 478 1HB ASP 59 HBS ASP 59 9.649 -13.730 -4.566 479 2HB ASP 59 HBR ASP 59 9.965 -11.978 -4.392 480 H ILE 60 HN ILE 60 6.767 -12.189 -2.949 481 HA ILE 60 HA ILE 60 7.276 -9.305 -2.736 482 HB ILE 60 HB ILE 60 4.755 -10.952 -3.253 483 1HG1 ILE 60 HG1 ILE 60 6.584 -10.843 -4.990 484 2HG1 ILE 60 HG1 ILE 60 4.965 -10.304 -5.520 485 1HG2 ILE 60 HMG ILE 60 4.307 -8.784 -2.040 486 2HG2 ILE 60 HMG ILE 60 4.954 -7.948 -3.476 487 3HG2 ILE 60 HMG ILE 60 3.507 -8.981 -3.621 488 1HD1 ILE 60 HMD ILE 60 5.743 -7.936 -5.094 489 2HD1 ILE 60 HMD ILE 60 7.385 -8.603 -4.889 490 3HD1 ILE 60 HMD ILE 60 6.537 -8.784 -6.448 491 H GLU 61 HN GLU 61 5.281 -11.763 -1.050 492 HA GLU 61 HA GLU 61 4.531 -10.002 1.140 493 1HB GLU 61 HBR GLU 61 4.469 -12.966 0.588 494 2HB GLU 61 HBS GLU 61 4.168 -12.355 2.123 495 1HG GLU 61 HGS GLU 61 2.455 -10.762 1.105 496 2HG GLU 61 HGR GLU 61 2.447 -11.830 -0.326 497 H LEU 62 HN LEU 62 7.338 -11.761 0.204 498 HA LEU 62 HA LEU 62 8.482 -11.939 2.897 499 1HB LEU 62 HBR LEU 62 8.890 -13.495 0.921 500 2HB LEU 62 HBS LEU 62 9.887 -12.182 0.231 501 HG LEU 62 HG LEU 62 11.307 -13.817 1.271 502 1HD1 LEU 62 HMD LEU 62 11.553 -11.202 1.645 503 2HD1 LEU 62 HMD LEU 62 11.280 -11.659 3.345 504 3HD1 LEU 62 HMD LEU 62 12.644 -12.364 2.442 505 1HD2 LEU 62 HMD LEU 62 9.216 -13.645 3.343 506 2HD2 LEU 62 HMD LEU 62 10.285 -14.999 2.894 507 3HD2 LEU 62 HMD LEU 62 10.880 -13.714 3.975 508 H ALA 63 HN ALA 63 8.709 -9.883 0.002 509 HA ALA 63 HA ALA 63 10.709 -8.075 1.074 510 1HB ALA 63 HMB ALA 63 8.682 -7.853 -1.165 511 2HB ALA 63 HMB ALA 63 9.873 -6.592 -0.758 512 3HB ALA 63 HMB ALA 63 10.425 -8.198 -1.296 513 H VAL 64 HN VAL 64 7.190 -8.376 1.086 514 HA VAL 64 HA VAL 64 6.639 -5.956 2.562 515 HB VAL 64 HB VAL 64 5.173 -8.542 2.053 516 1HG1 VAL 64 HMG VAL 64 4.523 -6.459 4.053 517 2HG1 VAL 64 HMG VAL 64 3.191 -6.952 2.981 518 3HG1 VAL 64 HMG VAL 64 4.041 -8.170 3.962 519 1HG2 VAL 64 HMG VAL 64 5.152 -5.806 0.902 520 2HG2 VAL 64 HMG VAL 64 4.946 -7.395 0.126 521 3HG2 VAL 64 HMG VAL 64 3.596 -6.662 1.024 522 H ARG 65 HN ARG 65 6.340 -9.327 3.692 523 HA ARG 65 HA ARG 65 6.395 -8.731 6.335 524 1HB ARG 65 HBR ARG 65 7.255 -11.248 4.901 525 2HB ARG 65 HBS ARG 65 7.232 -11.131 6.684 526 1HG ARG 65 HGS ARG 65 4.858 -10.764 4.825 527 2HG ARG 65 HGR ARG 65 5.198 -12.192 5.843 528 1HD ARG 65 HDS ARG 65 4.443 -9.405 6.671 529 2HD ARG 65 HDR ARG 65 3.621 -10.949 7.028 530 HE ARG 65 HE ARG 65 6.327 -10.436 8.124 531 1HH1 ARG 65 HH1 ARG 65 2.853 -10.657 8.681 532 2HH1 ARG 65 HH1 ARG 65 3.037 -11.039 10.360 533 1HH2 ARG 65 HH2 ARG 65 6.530 -11.063 10.293 534 2HH2 ARG 65 HH2 ARG 65 5.117 -11.267 11.274 535 H ARG 66 HN ARG 66 9.110 -8.686 4.240 536 HA ARG 66 HA ARG 66 11.160 -8.746 6.233 537 1HB ARG 66 HBR ARG 66 11.667 -9.002 3.865 538 2HB ARG 66 HBS ARG 66 11.091 -7.341 3.542 539 1HG ARG 66 HGS ARG 66 13.562 -7.532 3.604 540 2HG ARG 66 HGR ARG 66 12.911 -6.406 4.829 541 1HD ARG 66 HDS ARG 66 12.953 -8.466 6.385 542 2HD ARG 66 HDR ARG 66 14.073 -9.147 5.173 543 HE ARG 66 HE ARG 66 15.407 -6.995 5.578 544 1HH1 ARG 66 HH1 ARG 66 13.602 -8.761 8.037 545 2HH1 ARG 66 HH1 ARG 66 14.457 -8.024 9.351 546 1HH2 ARG 66 HH2 ARG 66 16.428 -5.971 7.323 547 2HH2 ARG 66 HH2 ARG 66 16.063 -6.451 8.946 548 H PHE 67 HN PHE 67 9.516 -6.007 4.599 549 HA PHE 67 HA PHE 67 10.337 -3.981 6.391 550 1HB PHE 67 HBR PHE 67 7.587 -4.073 5.090 551 2HB PHE 67 HBS PHE 67 8.513 -2.645 5.635 552 HD1 PHE 67 HD2 PHE 67 11.000 -2.535 4.406 553 HD2 PHE 67 HD1 PHE 67 7.468 -4.395 2.915 554 HE1 PHE 67 HE2 PHE 67 11.959 -2.517 2.126 555 HE2 PHE 67 HE1 PHE 67 8.446 -4.490 0.665 556 HZ PHE 67 HZ PHE 67 10.628 -3.420 0.240 557 H LYS 68 HN LYS 68 7.430 -6.067 6.436 558 HA LYS 68 HA LYS 68 5.864 -6.489 8.062 559 1HB LYS 68 HBS LYS 68 8.211 -6.200 9.594 560 2HB LYS 68 HBR LYS 68 6.999 -5.122 10.345 561 1HG LYS 68 HGR LYS 68 5.560 -7.446 9.876 562 2HG LYS 68 HGS LYS 68 7.176 -8.058 10.327 563 1HD LYS 68 HDS LYS 68 6.064 -7.943 12.342 564 2HD LYS 68 HDR LYS 68 7.102 -6.544 12.303 565 1HE LYS 68 HES LYS 68 4.780 -6.155 13.183 566 2HE LYS 68 HER LYS 68 5.345 -5.060 11.889 567 1HZ LYS 68 HZC LYS 68 4.039 -7.344 10.865 568 2HZ LYS 68 HZA LYS 68 3.062 -6.512 11.876 569 3HZ LYS 68 HZB LYS 68 3.734 -5.764 10.589 570 H LYS 69 HN LYS 69 7.371 -3.492 9.303 571 HA LYS 69 HA LYS 69 4.868 -2.005 9.258 572 1HB LYS 69 HBS LYS 69 6.232 -0.081 9.827 573 2HB LYS 69 HBR LYS 69 6.617 -1.468 10.885 574 1HG LYS 69 HGR LYS 69 8.778 -1.346 10.327 575 2HG LYS 69 HGS LYS 69 8.375 -1.479 8.592 576 1HD LYS 69 HDS LYS 69 8.009 0.912 8.455 577 2HD LYS 69 HDR LYS 69 8.285 1.080 10.166 578 1HE LYS 69 HES LYS 69 10.530 0.922 10.009 579 2HE LYS 69 HER LYS 69 10.447 -0.219 8.638 580 1HZ LYS 69 HZC LYS 69 9.424 2.139 7.728 581 2HZ LYS 69 HZA LYS 69 10.737 2.576 8.597 582 3HZ LYS 69 HZB LYS 69 10.887 1.505 7.373 583 1H MET 1 HN MET 1 -11.556 -6.445 -7.921 584 2H MET 1 HNB MET 1 -12.965 -6.483 -8.747 585 3H MET 1 HNC MET 1 -11.869 -5.313 -9.056 586 HA MET 1 HA MET 1 -13.344 -4.173 -7.829 587 1HB MET 1 HBS MET 1 -13.748 -6.859 -6.600 588 2HB MET 1 HBR MET 1 -14.074 -5.441 -5.571 589 1HG MET 1 HGS MET 1 -15.207 -5.651 -8.392 590 2HG MET 1 HGR MET 1 -16.015 -6.422 -7.008 591 1HE MET 1 HME MET 1 -17.660 -4.516 -8.492 592 2HE MET 1 HME MET 1 -17.643 -2.779 -8.093 593 3HE MET 1 HME MET 1 -16.365 -3.469 -9.125 594 H GLU 2 HN GLU 2 -10.401 -4.905 -7.728 595 HA GLU 2 HA GLU 2 -9.899 -3.170 -5.400 596 1HB GLU 2 HBR GLU 2 -8.164 -4.463 -4.542 597 2HB GLU 2 HBS GLU 2 -9.504 -5.458 -4.727 598 1HG GLU 2 HGS GLU 2 -8.018 -5.620 -7.156 599 2HG GLU 2 HGR GLU 2 -6.913 -6.011 -5.811 600 H LEU 3 HN LEU 3 -7.046 -3.325 -5.789 601 HA LEU 3 HA LEU 3 -6.882 -1.215 -7.730 602 1HB LEU 3 HBR LEU 3 -4.485 -2.648 -6.646 603 2HB LEU 3 HBS LEU 3 -4.757 -0.903 -6.914 604 HG LEU 3 HG LEU 3 -5.874 -2.576 -4.647 605 1HD1 LEU 3 HMD LEU 3 -3.492 -0.838 -5.011 606 2HD1 LEU 3 HMD LEU 3 -4.423 -0.605 -3.510 607 3HD1 LEU 3 HMD LEU 3 -3.760 -2.210 -3.906 608 1HD2 LEU 3 HMD LEU 3 -7.385 -0.792 -5.440 609 2HD2 LEU 3 HMD LEU 3 -6.726 -0.442 -3.821 610 3HD2 LEU 3 HMD LEU 3 -6.069 0.394 -5.250 611 HA PRO 4 HA PRO 4 -5.637 -3.474 -11.355 612 1HB PRO 4 HBR PRO 4 -4.609 -1.321 -12.577 613 2HB PRO 4 HBS PRO 4 -6.151 -1.853 -12.761 614 1HG PRO 4 HGS PRO 4 -5.301 0.427 -11.489 615 2HG PRO 4 HGR PRO 4 -6.870 -0.036 -11.812 616 1HD PRO 4 HDS PRO 4 -5.519 -0.179 -9.395 617 2HD PRO 4 HDR PRO 4 -7.119 -0.481 -9.684 618 H ILE 5 HN ILE 5 -3.886 -4.501 -12.070 619 HA ILE 5 HA ILE 5 -1.451 -3.929 -10.528 620 HB ILE 5 HB ILE 5 -0.662 -6.097 -11.302 621 1HG1 ILE 5 HG1 ILE 5 -1.745 -5.784 -13.613 622 2HG1 ILE 5 HG1 ILE 5 -1.619 -7.434 -12.943 623 1HG2 ILE 5 HMG ILE 5 -3.328 -5.858 -10.043 624 2HG2 ILE 5 HMG ILE 5 -2.864 -7.479 -10.626 625 3HG2 ILE 5 HMG ILE 5 -1.824 -6.620 -9.460 626 1HD1 ILE 5 HMD ILE 5 -4.143 -6.378 -12.152 627 2HD1 ILE 5 HMD ILE 5 -3.928 -6.049 -13.892 628 3HD1 ILE 5 HMD ILE 5 -3.790 -7.717 -13.276 629 H ALA 6 HN ALA 6 -2.550 -2.373 -12.971 630 HA ALA 6 HA ALA 6 -0.203 -2.475 -14.725 631 1HB ALA 6 HMB ALA 6 -2.871 -1.750 -15.043 632 2HB ALA 6 HMB ALA 6 -1.989 -0.203 -15.063 633 3HB ALA 6 HMB ALA 6 -1.546 -1.495 -16.207 634 HA PRO 7 HA PRO 7 0.330 1.843 -12.532 635 1HB PRO 7 HBR PRO 7 -1.189 2.059 -10.320 636 2HB PRO 7 HBS PRO 7 -1.426 2.892 -11.715 637 1HG PRO 7 HGS PRO 7 -2.891 0.746 -10.713 638 2HG PRO 7 HGR PRO 7 -3.344 1.863 -11.868 639 1HD PRO 7 HDS PRO 7 -2.637 -0.679 -12.367 640 2HD PRO 7 HDR PRO 7 -2.750 0.521 -13.499 641 H ILE 8 HN ILE 8 -0.642 -0.657 -10.319 642 HA ILE 8 HA ILE 8 1.499 -0.466 -8.569 643 HB ILE 8 HB ILE 8 -0.055 -2.944 -9.458 644 1HG1 ILE 8 HG1 ILE 8 -0.462 -0.895 -7.255 645 2HG1 ILE 8 HG1 ILE 8 -1.529 -1.255 -8.641 646 1HG2 ILE 8 HMG ILE 8 2.200 -2.742 -7.683 647 2HG2 ILE 8 HMG ILE 8 0.745 -3.244 -6.782 648 3HG2 ILE 8 HMG ILE 8 1.280 -4.181 -8.203 649 1HD1 ILE 8 HMD ILE 8 -1.709 -3.617 -7.580 650 2HD1 ILE 8 HMD ILE 8 -1.101 -2.818 -6.106 651 3HD1 ILE 8 HMD ILE 8 -2.621 -2.264 -6.859 652 H GLY 9 HN GLY 9 1.251 -2.756 -11.322 653 1HA GLY 9 HAR GLY 9 3.750 -3.862 -11.069 654 2HA GLY 9 HAS GLY 9 2.867 -3.776 -12.616 655 H ARG 10 HN ARG 10 2.931 -0.731 -12.330 656 HA ARG 10 HA ARG 10 5.417 -0.384 -13.852 657 1HB ARG 10 HBR ARG 10 3.117 1.464 -13.165 658 2HB ARG 10 HBS ARG 10 4.605 2.006 -13.995 659 1HG ARG 10 HGS ARG 10 3.726 -0.239 -15.437 660 2HG ARG 10 HGR ARG 10 2.248 0.695 -15.069 661 1HD ARG 10 HDS ARG 10 3.435 2.727 -15.899 662 2HD ARG 10 HDR ARG 10 4.754 1.653 -16.445 663 HE ARG 10 HE ARG 10 2.116 1.965 -17.655 664 1HH1 ARG 10 HH1 ARG 10 4.798 -0.283 -17.231 665 2HH1 ARG 10 HH1 ARG 10 4.586 -1.002 -18.792 666 1HH2 ARG 10 HH2 ARG 10 1.949 1.089 -19.739 667 2HH2 ARG 10 HH2 ARG 10 2.971 -0.227 -20.211 668 H ILE 11 HN ILE 11 4.062 0.343 -10.689 669 HA ILE 11 HA ILE 11 6.257 1.956 -9.729 670 HB ILE 11 HB ILE 11 4.191 0.221 -8.291 671 1HG1 ILE 11 HG1 ILE 11 4.366 3.187 -8.919 672 2HG1 ILE 11 HG1 ILE 11 3.150 2.008 -9.485 673 1HG2 ILE 11 HMG ILE 11 6.345 0.633 -7.006 674 2HG2 ILE 11 HMG ILE 11 5.875 2.354 -6.986 675 3HG2 ILE 11 HMG ILE 11 4.822 1.133 -6.224 676 1HD1 ILE 11 HMD ILE 11 2.812 1.803 -6.806 677 2HD1 ILE 11 HMD ILE 11 3.326 3.505 -6.938 678 3HD1 ILE 11 HMD ILE 11 1.903 2.930 -7.847 679 H ILE 12 HN ILE 12 5.481 -1.521 -9.765 680 HA ILE 12 HA ILE 12 7.913 -2.336 -8.514 681 HB ILE 12 HB ILE 12 6.284 -4.042 -10.442 682 1HG1 ILE 12 HG1 ILE 12 4.585 -3.047 -9.149 683 2HG1 ILE 12 HG1 ILE 12 4.866 -4.655 -8.427 684 1HG2 ILE 12 HMG ILE 12 8.497 -4.639 -8.948 685 2HG2 ILE 12 HMG ILE 12 7.165 -5.200 -7.903 686 3HG2 ILE 12 HMG ILE 12 7.307 -5.812 -9.572 687 1HD1 ILE 12 HMD ILE 12 6.058 -2.092 -7.336 688 2HD1 ILE 12 HMD ILE 12 4.512 -2.790 -6.786 689 3HD1 ILE 12 HMD ILE 12 6.030 -3.703 -6.570 690 H LYS 13 HN LYS 13 6.936 -1.834 -11.880 691 HA LYS 13 HA LYS 13 9.297 -2.951 -13.117 692 1HB LYS 13 HBR LYS 13 6.974 -1.284 -13.935 693 2HB LYS 13 HBS LYS 13 8.475 -1.086 -14.882 694 1HG LYS 13 HGR LYS 13 8.043 -3.888 -14.543 695 2HG LYS 13 HGS LYS 13 6.490 -3.164 -15.046 696 1HD LYS 13 HDS LYS 13 7.448 -2.216 -16.996 697 2HD LYS 13 HDR LYS 13 9.066 -2.576 -16.460 698 1HE LYS 13 HES LYS 13 7.961 -5.070 -16.457 699 2HE LYS 13 HER LYS 13 7.129 -4.275 -17.824 700 1HZ LYS 13 HZA LYS 13 9.683 -3.555 -18.149 701 2HZ LYS 13 HZB LYS 13 9.850 -5.078 -17.584 702 3HZ LYS 13 HZC LYS 13 8.957 -4.797 -18.923 703 H ASP 14 HN ASP 14 8.226 0.322 -12.160 704 HA ASP 14 HA ASP 14 10.444 1.717 -12.846 705 1HB ASP 14 HBS ASP 14 8.297 2.622 -11.980 706 2HB ASP 14 HBR ASP 14 8.878 2.247 -10.330 707 H ALA 15 HN ALA 15 9.988 -0.181 -9.907 708 HA ALA 15 HA ALA 15 12.433 0.122 -8.674 709 1HB ALA 15 HMB ALA 15 10.295 -1.563 -8.420 710 2HB ALA 15 HMB ALA 15 11.587 -2.680 -8.930 711 3HB ALA 15 HMB ALA 15 11.807 -1.665 -7.482 712 H GLY 16 HN GLY 16 11.669 -1.964 -11.459 713 1HA GLY 16 HAR GLY 16 13.583 -2.315 -13.037 714 2HA GLY 16 HAS GLY 16 14.549 -2.769 -11.608 715 H ALA 17 HN ALA 17 11.254 -3.713 -11.450 716 HA ALA 17 HA ALA 17 11.706 -6.472 -11.638 717 1HB ALA 17 HMB ALA 17 9.695 -4.962 -10.763 718 2HB ALA 17 HMB ALA 17 9.021 -5.400 -12.354 719 3HB ALA 17 HMB ALA 17 9.490 -6.677 -11.203 720 H GLU 18 HN GLU 18 11.333 -8.001 -13.193 721 HA GLU 18 HA GLU 18 10.235 -7.221 -15.779 722 1HB GLU 18 HBR GLU 18 12.040 -7.871 -17.099 723 2HB GLU 18 HBS GLU 18 12.604 -6.789 -15.947 724 1HG GLU 18 HGS GLU 18 13.743 -8.321 -14.647 725 2HG GLU 18 HGR GLU 18 12.937 -9.746 -15.358 726 H ARG 19 HN ARG 19 11.718 -9.689 -13.687 727 HA ARG 19 HA ARG 19 10.196 -11.816 -15.092 728 1HB ARG 19 HBR ARG 19 12.561 -11.891 -13.200 729 2HB ARG 19 HBS ARG 19 11.630 -13.341 -13.673 730 1HG ARG 19 HGS ARG 19 12.323 -13.179 -15.926 731 2HG ARG 19 HGR ARG 19 12.925 -11.511 -15.707 732 1HD ARG 19 HDS ARG 19 14.424 -12.733 -13.882 733 2HD ARG 19 HDR ARG 19 14.146 -14.115 -14.978 734 HE ARG 19 HE ARG 19 15.129 -11.562 -16.108 735 1HH1 ARG 19 HH1 ARG 19 15.885 -14.832 -15.027 736 2HH1 ARG 19 HH1 ARG 19 17.250 -14.983 -16.082 737 1HH2 ARG 19 HH2 ARG 19 16.842 -11.844 -17.566 738 2HH2 ARG 19 HH2 ARG 19 17.793 -13.292 -17.517 739 H VAL 20 HN VAL 20 8.187 -11.196 -14.185 740 HA VAL 20 HA VAL 20 7.856 -11.885 -11.319 741 HB VAL 20 HB VAL 20 6.732 -9.395 -12.612 742 1HG1 VAL 20 HMG VAL 20 6.624 -10.533 -9.836 743 2HG1 VAL 20 HMG VAL 20 6.532 -8.774 -10.094 744 3HG1 VAL 20 HMG VAL 20 5.323 -9.847 -10.839 745 1HG2 VAL 20 HMG VAL 20 9.229 -9.758 -10.960 746 2HG2 VAL 20 HMG VAL 20 9.049 -9.001 -12.560 747 3HG2 VAL 20 HMG VAL 20 8.392 -8.196 -11.115 748 H SER 21 HN SER 21 5.839 -12.590 -10.709 749 HA SER 21 HA SER 21 4.102 -13.472 -12.918 750 1HB SER 21 HBS SER 21 3.098 -14.963 -11.326 751 2HB SER 21 HBR SER 21 4.877 -15.123 -11.263 752 HG SER 21 HG SER 21 4.625 -14.978 -9.228 753 H ASP 22 HN ASP 22 1.885 -13.154 -12.948 754 HA ASP 22 HA ASP 22 0.850 -10.686 -11.912 755 1HB ASP 22 HBS ASP 22 -0.279 -13.008 -13.395 756 2HB ASP 22 HBR ASP 22 -1.389 -11.900 -12.536 757 H ASP 23 HN ASP 23 1.432 -13.759 -10.571 758 HA ASP 23 HA ASP 23 -0.415 -13.667 -8.390 759 1HB ASP 23 HBS ASP 23 0.911 -15.657 -9.121 760 2HB ASP 23 HBR ASP 23 2.332 -14.902 -8.341 761 H ALA 24 HN ALA 24 2.978 -12.584 -8.699 762 HA ALA 24 HA ALA 24 3.175 -11.310 -6.241 763 1HB ALA 24 HMB ALA 24 4.550 -11.134 -8.855 764 2HB ALA 24 HMB ALA 24 4.744 -9.733 -7.771 765 3HB ALA 24 HMB ALA 24 5.201 -11.362 -7.212 766 H ARG 25 HN ARG 25 2.057 -9.965 -9.353 767 HA ARG 25 HA ARG 25 1.906 -7.290 -8.515 768 1HB ARG 25 HBR ARG 25 1.266 -8.795 -10.856 769 2HB ARG 25 HBS ARG 25 -0.139 -7.768 -10.453 770 1HG ARG 25 HGS ARG 25 1.127 -6.433 -11.887 771 2HG ARG 25 HGR ARG 25 1.585 -5.851 -10.261 772 1HD ARG 25 HDS ARG 25 3.546 -6.069 -11.613 773 2HD ARG 25 HDR ARG 25 3.561 -7.319 -10.336 774 HE ARG 25 HE ARG 25 2.512 -8.726 -12.335 775 1HH1 ARG 25 HH1 ARG 25 5.011 -6.258 -12.643 776 2HH1 ARG 25 HH1 ARG 25 5.866 -7.123 -13.876 777 1HH2 ARG 25 HH2 ARG 25 3.728 -9.887 -13.856 778 2HH2 ARG 25 HH2 ARG 25 5.140 -9.176 -14.563 779 H ILE 26 HN ILE 26 -0.424 -9.934 -8.291 780 HA ILE 26 HA ILE 26 -2.440 -8.174 -7.107 781 HB ILE 26 HB ILE 26 -2.440 -11.195 -7.589 782 1HG1 ILE 26 HG1 ILE 26 -3.646 -8.959 -9.263 783 2HG1 ILE 26 HG1 ILE 26 -2.125 -9.821 -9.630 784 1HG2 ILE 26 HMG ILE 26 -4.055 -10.437 -5.867 785 2HG2 ILE 26 HMG ILE 26 -4.800 -9.371 -7.087 786 3HG2 ILE 26 HMG ILE 26 -4.823 -11.140 -7.315 787 1HD1 ILE 26 HMD ILE 26 -4.511 -11.531 -9.234 788 2HD1 ILE 26 HMD ILE 26 -4.534 -10.477 -10.672 789 3HD1 ILE 26 HMD ILE 26 -3.198 -11.636 -10.437 790 H THR 27 HN THR 27 0.114 -10.269 -6.088 791 HA THR 27 HA THR 27 -0.661 -10.650 -3.346 792 HB THR 27 HB THR 27 2.098 -10.479 -4.683 793 HG1 THR 27 HG1 THR 27 2.022 -12.365 -4.756 794 1HG2 THR 27 HMG THR 27 1.389 -11.282 -1.851 795 2HG2 THR 27 HMG THR 27 2.948 -11.633 -2.643 796 3HG2 THR 27 HMG THR 27 2.448 -9.944 -2.369 797 H LEU 28 HN LEU 28 1.629 -8.317 -4.822 798 HA LEU 28 HA LEU 28 1.755 -6.534 -2.716 799 1HB LEU 28 HBR LEU 28 2.765 -6.816 -5.250 800 2HB LEU 28 HBS LEU 28 1.780 -5.338 -5.412 801 HG LEU 28 HG LEU 28 3.117 -4.118 -3.961 802 1HD1 LEU 28 HMD LEU 28 3.552 -6.651 -2.651 803 2HD1 LEU 28 HMD LEU 28 5.114 -5.861 -2.991 804 3HD1 LEU 28 HMD LEU 28 3.861 -4.999 -2.062 805 1HD2 LEU 28 HMD LEU 28 4.146 -4.684 -6.131 806 2HD2 LEU 28 HMD LEU 28 5.355 -4.400 -4.851 807 3HD2 LEU 28 HMD LEU 28 4.974 -6.064 -5.363 808 H ALA 29 HN ALA 29 -0.515 -6.482 -5.473 809 HA ALA 29 HA ALA 29 -1.955 -4.239 -4.799 810 1HB ALA 29 HMB ALA 29 -2.137 -5.781 -6.835 811 2HB ALA 29 HMB ALA 29 -3.308 -6.712 -5.868 812 3HB ALA 29 HMB ALA 29 -3.623 -4.998 -6.241 813 H LYS 30 HN LYS 30 -2.461 -7.562 -3.614 814 HA LYS 30 HA LYS 30 -4.670 -6.770 -1.942 815 1HB LYS 30 HBR LYS 30 -3.204 -9.279 -2.571 816 2HB LYS 30 HBS LYS 30 -4.000 -9.196 -0.973 817 1HG LYS 30 HGR LYS 30 -5.520 -8.457 -3.475 818 2HG LYS 30 HGS LYS 30 -5.303 -10.171 -3.023 819 1HD LYS 30 HDS LYS 30 -6.695 -8.007 -1.457 820 2HD LYS 30 HDR LYS 30 -7.396 -9.408 -2.220 821 1HE LYS 30 HES LYS 30 -5.607 -10.630 -0.606 822 2HE LYS 30 HER LYS 30 -5.996 -9.170 0.345 823 1HZ LYS 30 HZA LYS 30 -8.369 -10.141 -0.611 824 2HZ LYS 30 HZB LYS 30 -7.558 -11.455 -0.079 825 3HZ LYS 30 HZC LYS 30 -7.829 -10.199 0.928 826 H ILE 31 HN ILE 31 -1.253 -6.797 -1.591 827 HA ILE 31 HA ILE 31 -1.064 -6.940 1.292 828 HB ILE 31 HB ILE 31 0.708 -5.866 -0.945 829 1HG1 ILE 31 HG1 ILE 31 1.264 -8.143 0.971 830 2HG1 ILE 31 HG1 ILE 31 0.267 -8.358 -0.495 831 1HG2 ILE 31 HMG ILE 31 0.874 -4.783 1.539 832 2HG2 ILE 31 HMG ILE 31 1.980 -6.174 1.692 833 3HG2 ILE 31 HMG ILE 31 2.241 -4.966 0.407 834 1HD1 ILE 31 HMD ILE 31 2.971 -7.103 -0.764 835 2HD1 ILE 31 HMD ILE 31 2.859 -8.864 -0.506 836 3HD1 ILE 31 HMD ILE 31 2.057 -8.116 -1.913 837 H LEU 32 HN LEU 32 -0.479 -4.113 -0.807 838 HA LEU 32 HA LEU 32 -0.926 -2.227 1.144 839 1HB LEU 32 HBR LEU 32 -1.043 -2.208 -1.863 840 2HB LEU 32 HBS LEU 32 -1.361 -0.720 -0.927 841 HG LEU 32 HG LEU 32 0.867 -0.792 0.014 842 1HD1 LEU 32 HMD LEU 32 1.190 -3.311 -1.651 843 2HD1 LEU 32 HMD LEU 32 2.511 -2.445 -0.826 844 3HD1 LEU 32 HMD LEU 32 1.207 -3.198 0.127 845 1HD2 LEU 32 HMD LEU 32 0.613 -1.094 -2.987 846 2HD2 LEU 32 HMD LEU 32 0.659 0.402 -2.022 847 3HD2 LEU 32 HMD LEU 32 2.127 -0.593 -2.192 848 H GLU 33 HN GLU 33 -3.277 -3.470 -1.233 849 HA GLU 33 HA GLU 33 -5.317 -1.656 -0.674 850 1HB GLU 33 HBR GLU 33 -5.113 -3.235 -2.581 851 2HB GLU 33 HBS GLU 33 -5.378 -4.518 -1.533 852 1HG GLU 33 HGS GLU 33 -7.474 -2.413 -1.623 853 2HG GLU 33 HGR GLU 33 -7.464 -3.618 -2.939 854 H GLU 34 HN GLU 34 -4.644 -4.825 0.816 855 HA GLU 34 HA GLU 34 -6.773 -4.909 2.658 856 1HB GLU 34 HBR GLU 34 -3.976 -5.951 2.494 857 2HB GLU 34 HBS GLU 34 -4.725 -5.956 3.995 858 1HG GLU 34 HGS GLU 34 -6.588 -6.966 2.054 859 2HG GLU 34 HGR GLU 34 -5.112 -7.969 2.033 860 H MET 35 HN MET 35 -3.473 -3.554 3.034 861 HA MET 35 HA MET 35 -3.822 -2.336 5.500 862 1HB MET 35 HBS MET 35 -2.174 -1.258 3.193 863 2HB MET 35 HBR MET 35 -1.973 -0.892 4.930 864 1HG MET 35 HGS MET 35 -1.507 -3.310 5.353 865 2HG MET 35 HGR MET 35 -1.656 -3.615 3.605 866 1HE MET 35 HME MET 35 0.390 -2.944 6.425 867 2HE MET 35 HME MET 35 1.919 -2.193 5.900 868 3HE MET 35 HME MET 35 0.488 -1.177 6.212 869 H GLY 36 HN GLY 36 -4.693 -1.128 2.278 870 1HA GLY 36 HAR GLY 36 -5.224 1.502 2.917 871 2HA GLY 36 HAS GLY 36 -6.051 0.617 1.604 872 H ARG 37 HN ARG 37 -7.500 -1.257 2.997 873 HA ARG 37 HA ARG 37 -9.734 0.080 4.075 874 1HB ARG 37 HBR ARG 37 -8.965 -2.605 3.545 875 2HB ARG 37 HBS ARG 37 -9.511 -2.528 5.245 876 1HG ARG 37 HGS ARG 37 -11.458 -1.087 3.949 877 2HG ARG 37 HGR ARG 37 -11.046 -2.334 2.738 878 1HD ARG 37 HDS ARG 37 -12.446 -3.633 3.858 879 2HD ARG 37 HDR ARG 37 -11.134 -3.771 5.061 880 HE ARG 37 HE ARG 37 -13.522 -2.027 5.264 881 1HH1 ARG 37 HH1 ARG 37 -10.477 -3.123 6.666 882 2HH1 ARG 37 HH1 ARG 37 -10.962 -2.747 8.285 883 1HH2 ARG 37 HH2 ARG 37 -14.169 -1.670 7.408 884 2HH2 ARG 37 HH2 ARG 37 -13.051 -1.923 8.705 885 H ASP 38 HN ASP 38 -6.986 -1.531 5.689 886 HA ASP 38 HA ASP 38 -8.144 -1.227 8.238 887 1HB ASP 38 HBS ASP 38 -6.351 -2.896 7.229 888 2HB ASP 38 HBR ASP 38 -5.235 -1.770 8.052 889 H ILE 39 HN ILE 39 -5.587 0.595 6.597 890 HA ILE 39 HA ILE 39 -4.975 2.353 8.814 891 HB ILE 39 HB ILE 39 -4.673 2.941 5.835 892 1HG1 ILE 39 HG1 ILE 39 -2.534 1.594 7.498 893 2HG1 ILE 39 HG1 ILE 39 -3.789 0.643 6.653 894 1HG2 ILE 39 HMG ILE 39 -4.256 4.819 7.361 895 2HG2 ILE 39 HMG ILE 39 -3.022 3.846 8.205 896 3HG2 ILE 39 HMG ILE 39 -2.783 4.303 6.496 897 1HD1 ILE 39 HMD ILE 39 -2.055 2.661 5.223 898 2HD1 ILE 39 HMD ILE 39 -1.556 0.965 5.458 899 3HD1 ILE 39 HMD ILE 39 -3.033 1.340 4.531 900 H ALA 40 HN ALA 40 -7.463 2.096 6.378 901 HA ALA 40 HA ALA 40 -8.351 4.813 6.351 902 1HB ALA 40 HMB ALA 40 -8.947 3.129 4.648 903 2HB ALA 40 HMB ALA 40 -9.938 2.277 5.858 904 3HB ALA 40 HMB ALA 40 -10.371 3.932 5.360 905 H SER 41 HN SER 41 -9.966 1.978 7.839 906 HA SER 41 HA SER 41 -11.609 3.517 9.563 907 1HB SER 41 HBS SER 41 -11.775 1.026 8.840 908 2HB SER 41 HBR SER 41 -10.749 0.725 10.273 909 HG SER 41 HG SER 41 -12.201 1.809 11.608 910 H GLU 42 HN GLU 42 -8.274 2.775 9.689 911 HA GLU 42 HA GLU 42 -8.015 3.266 12.532 912 1HB GLU 42 HBR GLU 42 -6.284 2.712 10.167 913 2HB GLU 42 HBS GLU 42 -5.582 3.544 11.444 914 1HG GLU 42 HGS GLU 42 -5.435 0.956 11.437 915 2HG GLU 42 HGR GLU 42 -5.651 1.795 12.997 916 H ALA 43 HN ALA 43 -7.389 5.092 9.531 917 HA ALA 43 HA ALA 43 -6.675 7.536 10.912 918 1HB ALA 43 HMB ALA 43 -7.314 6.755 8.083 919 2HB ALA 43 HMB ALA 43 -7.238 8.472 8.554 920 3HB ALA 43 HMB ALA 43 -5.814 7.423 8.777 921 H ILE 44 HN ILE 44 -9.597 5.877 10.209 922 HA ILE 44 HA ILE 44 -11.250 8.254 10.091 923 HB ILE 44 HB ILE 44 -11.805 5.253 10.053 924 1HG1 ILE 44 HG1 ILE 44 -12.285 7.273 7.852 925 2HG1 ILE 44 HG1 ILE 44 -10.673 6.556 8.136 926 1HG2 ILE 44 HMG ILE 44 -13.801 7.514 9.981 927 2HG2 ILE 44 HMG ILE 44 -14.127 5.913 9.263 928 3HG2 ILE 44 HMG ILE 44 -13.790 6.056 11.009 929 1HD1 ILE 44 HMD ILE 44 -12.184 4.313 8.055 930 2HD1 ILE 44 HMD ILE 44 -13.123 5.367 6.964 931 3HD1 ILE 44 HMD ILE 44 -11.404 5.038 6.625 932 H LYS 45 HN LYS 45 -11.029 5.466 12.338 933 HA LYS 45 HA LYS 45 -12.337 6.636 14.546 934 1HB LYS 45 HBR LYS 45 -10.779 4.316 14.051 935 2HB LYS 45 HBS LYS 45 -10.036 5.163 15.438 936 1HG LYS 45 HGR LYS 45 -12.714 5.275 16.068 937 2HG LYS 45 HGS LYS 45 -12.588 3.692 15.249 938 1HD LYS 45 HDS LYS 45 -10.686 4.496 17.434 939 2HD LYS 45 HDR LYS 45 -12.265 3.852 17.792 940 1HE LYS 45 HES LYS 45 -11.226 1.876 17.763 941 2HE LYS 45 HER LYS 45 -11.450 2.027 15.997 942 1HZ LYS 45 HZA LYS 45 -9.163 3.372 16.545 943 2HZ LYS 45 HZB LYS 45 -9.061 2.051 17.499 944 3HZ LYS 45 HZC LYS 45 -9.272 1.881 15.888 945 H LEU 46 HN LEU 46 -9.100 7.083 13.233 946 HA LEU 46 HA LEU 46 -8.079 8.842 15.258 947 1HB LEU 46 HBR LEU 46 -7.481 7.991 12.503 948 2HB LEU 46 HBS LEU 46 -6.991 9.666 12.882 949 HG LEU 46 HG LEU 46 -6.192 7.395 14.683 950 1HD1 LEU 46 HMD LEU 46 -5.039 8.165 12.006 951 2HD1 LEU 46 HMD LEU 46 -3.996 7.533 13.305 952 3HD1 LEU 46 HMD LEU 46 -5.342 6.546 12.683 953 1HD2 LEU 46 HMD LEU 46 -5.993 10.023 14.987 954 2HD2 LEU 46 HMD LEU 46 -4.688 8.924 15.502 955 3HD2 LEU 46 HMD LEU 46 -4.559 9.796 13.953 956 H ALA 47 HN ALA 47 -9.985 9.322 12.279 957 HA ALA 47 HA ALA 47 -9.935 12.174 12.409 958 1HB ALA 47 HMB ALA 47 -10.644 10.282 10.549 959 2HB ALA 47 HMB ALA 47 -12.218 10.974 11.015 960 3HB ALA 47 HMB ALA 47 -10.921 12.038 10.415 961 H ARG 48 HN ARG 48 -11.770 9.775 14.055 962 HA ARG 48 HA ARG 48 -13.927 11.534 14.936 963 1HB ARG 48 HBR ARG 48 -13.485 8.805 15.047 964 2HB ARG 48 HBS ARG 48 -13.175 9.336 16.725 965 1HG ARG 48 HGS ARG 48 -15.410 8.957 16.894 966 2HG ARG 48 HGR ARG 48 -15.472 10.644 16.310 967 1HD ARG 48 HDS ARG 48 -15.323 8.550 14.238 968 2HD ARG 48 HDR ARG 48 -16.825 8.600 15.202 969 HE ARG 48 HE ARG 48 -15.852 10.644 13.331 970 1HH1 ARG 48 HH1 ARG 48 -18.319 9.544 15.596 971 2HH1 ARG 48 HH1 ARG 48 -19.396 10.849 15.226 972 1HH2 ARG 48 HH2 ARG 48 -17.232 12.405 12.967 973 2HH2 ARG 48 HH2 ARG 48 -18.784 12.466 13.736 974 H HIS 49 HN HIS 49 -10.817 10.330 16.216 975 HA HIS 49 HA HIS 49 -10.676 11.947 18.515 976 1HB HIS 49 HBS HIS 49 -9.025 10.126 17.937 977 2HB HIS 49 HBR HIS 49 -8.300 11.241 16.743 978 HD1 HIS 49 HD1 HIS 49 -9.479 12.439 20.164 979 HD2 HIS 49 HD2 HIS 49 -5.947 11.618 18.115 980 HE1 HIS 49 HE1 HIS 49 -7.629 13.459 21.510 981 HE2 HIS 49 HE2 HIS 49 -5.491 12.989 20.261 982 H ALA 50 HN ALA 50 -9.937 12.652 15.123 983 HA ALA 50 HA ALA 50 -8.969 15.231 15.365 984 1HB ALA 50 HMB ALA 50 -9.475 13.676 13.297 985 2HB ALA 50 HMB ALA 50 -10.964 14.652 13.216 986 3HB ALA 50 HMB ALA 50 -9.372 15.447 13.129 987 H GLY 51 HN GLY 51 -12.379 14.177 15.253 988 1HA GLY 51 HAR GLY 51 -14.123 15.369 16.417 989 2HA GLY 51 HAS GLY 51 -13.202 16.881 16.197 990 H ARG 52 HN ARG 52 -13.702 14.406 13.712 991 HA ARG 52 HA ARG 52 -15.073 14.268 11.870 992 1HB ARG 52 HBR ARG 52 -16.896 15.032 13.500 993 2HB ARG 52 HBS ARG 52 -16.617 16.675 12.852 994 1HG ARG 52 HGS ARG 52 -16.965 14.746 10.709 995 2HG ARG 52 HGR ARG 52 -18.345 14.708 11.842 996 1HD ARG 52 HDS ARG 52 -17.251 17.031 10.275 997 2HD ARG 52 HDR ARG 52 -18.881 16.302 10.210 998 HE ARG 52 HE ARG 52 -18.545 17.206 12.824 999 1HH1 ARG 52 HH1 ARG 52 -18.244 18.738 9.663 1000 2HH1 ARG 52 HH1 ARG 52 -18.950 20.227 10.197 1001 1HH2 ARG 52 HH2 ARG 52 -19.580 19.121 13.452 1002 2HH2 ARG 52 HH2 ARG 52 -19.704 20.445 12.341 1003 H LYS 53 HN LYS 53 -12.753 16.207 12.445 1004 HA LYS 53 HA LYS 53 -13.051 17.987 10.091 1005 1HB LYS 53 HBR LYS 53 -11.716 18.508 12.316 1006 2HB LYS 53 HBS LYS 53 -10.448 17.542 11.509 1007 1HG LYS 53 HGR LYS 53 -11.431 19.381 9.578 1008 2HG LYS 53 HGS LYS 53 -11.190 20.300 11.091 1009 1HD LYS 53 HDS LYS 53 -9.026 20.360 10.776 1010 2HD LYS 53 HDR LYS 53 -8.966 18.619 10.818 1011 1HE LYS 53 HES LYS 53 -8.410 18.534 8.690 1012 2HE LYS 53 HER LYS 53 -9.936 19.360 8.264 1013 1HZ LYS 53 HZA LYS 53 -7.954 21.111 9.301 1014 2HZ LYS 53 HZB LYS 53 -7.468 20.365 7.933 1015 3HZ LYS 53 HZC LYS 53 -8.849 21.238 7.941 1016 H THR 54 HN THR 54 -12.035 17.603 8.193 1017 HA THR 54 HA THR 54 -12.007 14.931 7.415 1018 HB THR 54 HB THR 54 -12.398 16.965 5.910 1019 HG1 THR 54 HG1 THR 54 -11.937 15.952 4.372 1020 1HG2 THR 54 HMG THR 54 -9.370 17.006 5.830 1021 2HG2 THR 54 HMG THR 54 -10.432 17.801 4.640 1022 3HG2 THR 54 HMG THR 54 -10.457 18.321 6.344 1023 H ILE 55 HN ILE 55 -10.157 13.934 6.105 1024 HA ILE 55 HA ILE 55 -8.086 13.520 8.159 1025 HB ILE 55 HB ILE 55 -8.925 11.842 5.743 1026 1HG1 ILE 55 HG1 ILE 55 -9.512 11.551 8.715 1027 2HG1 ILE 55 HG1 ILE 55 -10.666 12.034 7.440 1028 1HG2 ILE 55 HMG ILE 55 -6.529 11.712 7.211 1029 2HG2 ILE 55 HMG ILE 55 -7.538 10.350 7.768 1030 3HG2 ILE 55 HMG ILE 55 -7.167 10.534 6.033 1031 1HD1 ILE 55 HMD ILE 55 -9.300 9.431 7.044 1032 2HD1 ILE 55 HMD ILE 55 -10.450 9.523 8.404 1033 3HD1 ILE 55 HMD ILE 55 -10.993 9.907 6.748 1034 H LYS 56 HN LYS 56 -5.959 13.739 7.856 1035 HA LYS 56 HA LYS 56 -5.016 14.795 5.230 1036 1HB LYS 56 HBR LYS 56 -3.978 15.901 7.812 1037 2HB LYS 56 HBS LYS 56 -4.096 16.653 6.195 1038 1HG LYS 56 HGR LYS 56 -6.742 16.308 6.828 1039 2HG LYS 56 HGS LYS 56 -6.029 16.623 8.436 1040 1HD LYS 56 HDS LYS 56 -6.676 18.711 7.635 1041 2HD LYS 56 HDR LYS 56 -4.940 18.630 7.514 1042 1HE LYS 56 HES LYS 56 -4.988 18.309 5.162 1043 2HE LYS 56 HER LYS 56 -6.756 18.059 5.193 1044 1HZ LYS 56 HZA LYS 56 -5.934 20.535 6.323 1045 2HZ LYS 56 HZB LYS 56 -5.524 20.397 4.749 1046 3HZ LYS 56 HZC LYS 56 -7.084 20.229 5.204 1047 H ALA 57 HN ALA 57 -2.454 15.349 5.881 1048 HA ALA 57 HA ALA 57 -1.303 12.830 5.449 1049 1HB ALA 57 HMB ALA 57 -0.410 15.018 4.685 1050 2HB ALA 57 HMB ALA 57 0.112 15.351 6.357 1051 3HB ALA 57 HMB ALA 57 0.807 13.974 5.463 1052 H GLU 58 HN GLU 58 -1.010 14.967 8.314 1053 HA GLU 58 HA GLU 58 0.381 13.222 9.968 1054 1HB GLU 58 HBR GLU 58 -1.617 15.421 10.407 1055 2HB GLU 58 HBS GLU 58 -1.118 14.484 11.706 1056 1HG GLU 58 HGS GLU 58 1.316 14.918 10.884 1057 2HG GLU 58 HGR GLU 58 0.627 16.379 10.126 1058 H ASP 59 HN ASP 59 -3.002 13.219 9.052 1059 HA ASP 59 HA ASP 59 -3.987 11.603 11.199 1060 1HB ASP 59 HBS ASP 59 -5.034 12.331 8.488 1061 2HB ASP 59 HBR ASP 59 -5.832 11.084 9.489 1062 H ILE 60 HN ILE 60 -3.492 10.659 7.780 1063 HA ILE 60 HA ILE 60 -3.979 7.997 8.475 1064 HB ILE 60 HB ILE 60 -3.966 9.506 6.153 1065 1HG1 ILE 60 HG1 ILE 60 -4.310 6.699 5.549 1066 2HG1 ILE 60 HG1 ILE 60 -4.958 7.078 7.172 1067 1HG2 ILE 60 HMG ILE 60 -1.471 8.666 5.885 1068 2HG2 ILE 60 HMG ILE 60 -2.295 7.205 5.275 1069 3HG2 ILE 60 HMG ILE 60 -2.606 8.788 4.515 1070 1HD1 ILE 60 HMD ILE 60 -6.267 8.934 6.166 1071 2HD1 ILE 60 HMD ILE 60 -5.685 8.431 4.556 1072 3HD1 ILE 60 HMD ILE 60 -6.711 7.333 5.516 1073 H GLU 61 HN GLU 61 -0.934 9.724 8.026 1074 HA GLU 61 HA GLU 61 0.860 7.564 8.203 1075 1HB GLU 61 HBR GLU 61 0.864 10.465 8.943 1076 2HB GLU 61 HBS GLU 61 2.083 9.487 9.555 1077 1HG GLU 61 HGS GLU 61 2.082 8.664 6.945 1078 2HG GLU 61 HGR GLU 61 1.832 10.421 6.759 1079 H LEU 62 HN LEU 62 -0.782 9.441 10.757 1080 HA LEU 62 HA LEU 62 0.158 7.971 12.996 1081 1HB LEU 62 HBR LEU 62 -1.897 9.915 12.309 1082 2HB LEU 62 HBS LEU 62 -2.477 8.728 13.510 1083 HG LEU 62 HG LEU 62 -0.225 9.339 14.726 1084 1HD1 LEU 62 HMD LEU 62 0.300 10.885 12.680 1085 2HD1 LEU 62 HMD LEU 62 -0.828 12.008 13.480 1086 3HD1 LEU 62 HMD LEU 62 0.635 11.455 14.334 1087 1HD2 LEU 62 HMD LEU 62 -2.862 10.782 14.592 1088 2HD2 LEU 62 HMD LEU 62 -2.233 9.679 15.842 1089 3HD2 LEU 62 HMD LEU 62 -1.591 11.336 15.713 1090 H ALA 63 HN ALA 63 -2.761 7.543 10.968 1091 HA ALA 63 HA ALA 63 -3.750 5.289 12.183 1092 1HB ALA 63 HMB ALA 63 -4.594 6.784 10.185 1093 2HB ALA 63 HMB ALA 63 -3.913 5.462 9.202 1094 3HB ALA 63 HMB ALA 63 -5.177 5.114 10.409 1095 H VAL 64 HN VAL 64 -0.873 5.536 10.341 1096 HA VAL 64 HA VAL 64 -1.044 2.723 9.549 1097 HB VAL 64 HB VAL 64 -0.777 5.018 8.175 1098 1HG1 VAL 64 HMG VAL 64 2.065 4.006 8.419 1099 2HG1 VAL 64 HMG VAL 64 1.477 5.011 7.073 1100 3HG1 VAL 64 HMG VAL 64 1.429 5.637 8.738 1101 1HG2 VAL 64 HMG VAL 64 -0.859 2.289 7.611 1102 2HG2 VAL 64 HMG VAL 64 -1.103 3.652 6.491 1103 3HG2 VAL 64 HMG VAL 64 0.509 2.914 6.657 1104 H ARG 65 HN ARG 65 1.593 4.973 10.485 1105 HA ARG 65 HA ARG 65 3.310 3.075 11.662 1106 1HB ARG 65 HBR ARG 65 4.256 4.865 12.938 1107 2HB ARG 65 HBS ARG 65 3.880 5.459 11.295 1108 1HG ARG 65 HGS ARG 65 2.507 7.047 12.068 1109 2HG ARG 65 HGR ARG 65 1.710 5.929 13.210 1110 1HD ARG 65 HDS ARG 65 2.871 7.822 14.292 1111 2HD ARG 65 HDR ARG 65 3.456 6.214 14.807 1112 HE ARG 65 HE ARG 65 5.077 7.108 12.674 1113 1HH1 ARG 65 HH1 ARG 65 4.272 8.243 15.913 1114 2HH1 ARG 65 HH1 ARG 65 5.879 8.803 16.234 1115 1HH2 ARG 65 HH2 ARG 65 7.196 7.735 13.179 1116 2HH2 ARG 65 HH2 ARG 65 7.534 8.517 14.687 1117 H ARG 66 HN ARG 66 0.176 4.111 12.609 1118 HA ARG 66 HA ARG 66 0.337 2.858 15.245 1119 1HB ARG 66 HBR ARG 66 -1.283 4.687 14.680 1120 2HB ARG 66 HBS ARG 66 -2.136 3.527 13.621 1121 1HG ARG 66 HGS ARG 66 -3.205 2.589 15.345 1122 2HG ARG 66 HGR ARG 66 -1.711 2.481 16.319 1123 1HD ARG 66 HDS ARG 66 -3.259 5.033 15.914 1124 2HD ARG 66 HDR ARG 66 -3.555 3.900 17.263 1125 HE ARG 66 HE ARG 66 -0.900 4.340 17.492 1126 1HH1 ARG 66 HH1 ARG 66 -3.705 6.471 17.333 1127 2HH1 ARG 66 HH1 ARG 66 -2.879 7.793 18.086 1128 1HH2 ARG 66 HH2 ARG 66 0.189 6.139 18.339 1129 2HH2 ARG 66 HH2 ARG 66 -0.676 7.606 18.658 1130 H PHE 67 HN PHE 67 -1.685 2.088 12.385 1131 HA PHE 67 HA PHE 67 -2.674 -0.080 13.677 1132 1HB PHE 67 HBR PHE 67 -4.007 -0.591 11.849 1133 2HB PHE 67 HBS PHE 67 -3.632 1.131 11.602 1134 HD1 PHE 67 HD1 PHE 67 -1.079 1.139 10.399 1135 HD2 PHE 67 HD2 PHE 67 -4.278 -1.589 9.714 1136 HE1 PHE 67 HE1 PHE 67 -0.125 0.605 8.203 1137 HE2 PHE 67 HE2 PHE 67 -3.381 -2.083 7.463 1138 HZ PHE 67 HZ PHE 67 -1.242 -1.049 6.754 1139 H LYS 68 HN LYS 68 0.192 0.012 11.707 1140 HA LYS 68 HA LYS 68 0.899 -2.598 12.824 1141 1HB LYS 68 HBR LYS 68 0.527 -2.150 9.903 1142 2HB LYS 68 HBS LYS 68 2.017 -2.994 10.413 1143 1HG LYS 68 HGR LYS 68 -0.711 -3.867 11.394 1144 2HG LYS 68 HGS LYS 68 -0.058 -4.420 9.826 1145 1HD LYS 68 HDS LYS 68 1.294 -5.887 10.760 1146 2HD LYS 68 HDR LYS 68 1.918 -4.705 11.877 1147 1HE LYS 68 HES LYS 68 -0.472 -5.131 13.028 1148 2HE LYS 68 HER LYS 68 -0.193 -6.716 12.251 1149 1HZ LYS 68 HZB LYS 68 1.959 -5.500 13.776 1150 2HZ LYS 68 HZC LYS 68 0.734 -6.211 14.590 1151 3HZ LYS 68 HZA LYS 68 1.623 -7.080 13.530 1152 H LYS 69 HN LYS 69 2.594 -1.985 13.952 1153 HA LYS 69 HA LYS 69 4.697 -0.320 12.655 1154 1HB LYS 69 HBR LYS 69 3.781 -0.627 15.411 1155 2HB LYS 69 HBS LYS 69 5.535 -0.921 15.237 1156 1HG LYS 69 HGR LYS 69 4.801 1.423 13.723 1157 2HG LYS 69 HGS LYS 69 4.176 1.571 15.391 1158 1HD LYS 69 HDS LYS 69 6.428 1.020 16.249 1159 2HD LYS 69 HDR LYS 69 7.018 0.961 14.611 1160 1HE LYS 69 HES LYS 69 5.752 3.413 15.825 1161 2HE LYS 69 HER LYS 69 7.506 3.074 15.791 1162 1HZ LYS 69 HZA LYS 69 6.122 2.882 13.276 1163 2HZ LYS 69 HZB LYS 69 6.252 4.388 13.897 1164 3HZ LYS 69 HZC LYS 69 7.595 3.500 13.617 No H/Q in entry = 1164 Start of MODEL 28 Raw file had 1198 H/Q atoms Start of MODEL 28 1 1H MET 1 HNC MET 1 2.474 9.430 -11.771 2 2H MET 1 HNB MET 1 2.550 7.827 -12.077 3 3H MET 1 HN MET 1 2.660 8.899 -13.305 4 HA MET 1 HA MET 1 0.487 9.473 -13.277 5 1HB MET 1 HBS MET 1 1.206 6.702 -13.319 6 2HB MET 1 HBR MET 1 -0.372 6.861 -12.508 7 1HG MET 1 HGS MET 1 -0.964 6.675 -14.787 8 2HG MET 1 HGR MET 1 -1.013 8.425 -14.473 9 1HE MET 1 HME MET 1 0.087 10.001 -15.417 10 2HE MET 1 HME MET 1 1.844 9.894 -15.146 11 3HE MET 1 HME MET 1 1.200 9.950 -16.807 12 H GLU 2 HN GLU 2 1.758 8.314 -10.286 13 HA GLU 2 HA GLU 2 1.245 8.843 -8.116 14 1HB GLU 2 HBR GLU 2 -0.689 10.792 -9.388 15 2HB GLU 2 HBS GLU 2 -0.275 10.703 -7.764 16 1HG GLU 2 HGS GLU 2 2.222 10.851 -8.727 17 2HG GLU 2 HGR GLU 2 1.403 11.853 -9.955 18 H LEU 3 HN LEU 3 0.271 7.258 -7.087 19 HA LEU 3 HA LEU 3 -1.690 5.806 -7.648 20 1HB LEU 3 HBS LEU 3 -0.567 6.704 -5.097 21 2HB LEU 3 HBR LEU 3 -2.075 5.736 -4.997 22 HG LEU 3 HG LEU 3 -0.906 4.175 -6.641 23 1HD1 LEU 3 HMD LEU 3 1.278 6.023 -5.834 24 2HD1 LEU 3 HMD LEU 3 1.674 4.315 -6.153 25 3HD1 LEU 3 HMD LEU 3 0.881 5.295 -7.411 26 1HD2 LEU 3 HMD LEU 3 -1.278 3.863 -4.067 27 2HD2 LEU 3 HMD LEU 3 -0.076 2.825 -4.870 28 3HD2 LEU 3 HMD LEU 3 0.457 4.236 -3.925 29 HA PRO 4 HA PRO 4 -5.088 8.683 -7.995 30 1HB PRO 4 HBR PRO 4 -6.558 6.692 -9.278 31 2HB PRO 4 HBS PRO 4 -6.002 8.102 -9.909 32 1HG PRO 4 HGR PRO 4 -5.052 5.692 -10.517 33 2HG PRO 4 HGS PRO 4 -4.287 7.142 -10.826 34 1HD PRO 4 HDS PRO 4 -3.685 5.232 -8.856 35 2HD PRO 4 HDR PRO 4 -2.719 6.435 -9.451 36 H ILE 5 HN ILE 5 -7.077 9.169 -7.159 37 HA ILE 5 HA ILE 5 -7.331 7.672 -4.649 38 HB ILE 5 HB ILE 5 -8.388 9.732 -3.806 39 1HG1 ILE 5 HG1 ILE 5 -8.185 11.743 -5.588 40 2HG1 ILE 5 HG1 ILE 5 -8.473 10.391 -6.720 41 1HG2 ILE 5 HMG ILE 5 -5.721 9.718 -5.028 42 2HG2 ILE 5 HMG ILE 5 -6.380 11.346 -4.718 43 3HG2 ILE 5 HMG ILE 5 -6.240 10.172 -3.384 44 1HD1 ILE 5 HMD ILE 5 -10.278 10.608 -4.358 45 2HD1 ILE 5 HMD ILE 5 -10.454 11.825 -5.649 46 3HD1 ILE 5 HMD ILE 5 -10.621 10.091 -6.030 47 H ALA 6 HN ALA 6 -8.677 7.031 -7.369 48 HA ALA 6 HA ALA 6 -11.510 7.009 -6.545 49 1HB ALA 6 HMB ALA 6 -9.996 6.670 -9.035 50 2HB ALA 6 HMB ALA 6 -11.287 5.462 -8.810 51 3HB ALA 6 HMB ALA 6 -11.676 7.200 -8.769 52 HA PRO 7 HA PRO 7 -10.102 2.337 -6.295 53 1HB PRO 7 HBR PRO 7 -7.349 2.310 -6.337 54 2HB PRO 7 HBS PRO 7 -8.364 1.510 -7.348 55 1HG PRO 7 HGS PRO 7 -6.816 3.646 -7.959 56 2HG PRO 7 HGR PRO 7 -7.897 2.875 -8.968 57 1HD PRO 7 HDS PRO 7 -8.184 5.345 -7.762 58 2HD PRO 7 HDR PRO 7 -9.203 4.625 -8.845 59 H ILE 8 HN ILE 8 -7.468 4.283 -5.107 60 HA ILE 8 HA ILE 8 -7.429 3.216 -2.564 61 HB ILE 8 HB ILE 8 -6.693 6.041 -3.471 62 1HG1 ILE 8 HG1 ILE 8 -5.158 3.427 -3.305 63 2HG1 ILE 8 HG1 ILE 8 -5.533 4.399 -4.756 64 1HG2 ILE 8 HMG ILE 8 -6.880 5.198 -0.848 65 2HG2 ILE 8 HMG ILE 8 -5.155 4.968 -1.240 66 3HG2 ILE 8 HMG ILE 8 -5.914 6.567 -1.458 67 1HD1 ILE 8 HMD ILE 8 -3.927 5.710 -2.618 68 2HD1 ILE 8 HMD ILE 8 -3.138 4.425 -3.570 69 3HD1 ILE 8 HMD ILE 8 -3.823 5.852 -4.393 70 H GLY 9 HN GLY 9 -9.115 6.203 -3.595 71 1HA GLY 9 HAS GLY 9 -10.151 6.927 -1.145 72 2HA GLY 9 HAR GLY 9 -10.918 7.333 -2.703 73 H ARG 10 HN ARG 10 -11.589 4.752 -3.580 74 HA ARG 10 HA ARG 10 -14.011 4.234 -2.302 75 1HB ARG 10 HBR ARG 10 -12.473 3.083 -4.457 76 2HB ARG 10 HBS ARG 10 -13.202 1.792 -3.460 77 1HG ARG 10 HGS ARG 10 -15.348 2.373 -4.023 78 2HG ARG 10 HGR ARG 10 -14.930 4.087 -4.303 79 1HD ARG 10 HDS ARG 10 -14.399 3.744 -6.442 80 2HD ARG 10 HDR ARG 10 -13.625 2.170 -6.106 81 HE ARG 10 HE ARG 10 -16.560 2.255 -5.981 82 1HH1 ARG 10 HH1 ARG 10 -13.629 1.196 -7.628 83 2HH1 ARG 10 HH1 ARG 10 -14.493 0.230 -8.777 84 1HH2 ARG 10 HH2 ARG 10 -17.662 1.084 -7.578 85 2HH2 ARG 10 HH2 ARG 10 -16.775 0.164 -8.748 86 H ILE 11 HN ILE 11 -10.872 2.576 -1.934 87 HA ILE 11 HA ILE 11 -11.662 0.599 -0.169 88 HB ILE 11 HB ILE 11 -8.994 2.080 -0.343 89 1HG1 ILE 11 HG1 ILE 11 -9.978 -0.497 -1.630 90 2HG1 ILE 11 HG1 ILE 11 -9.771 1.082 -2.441 91 1HG2 ILE 11 HMG ILE 11 -9.571 0.577 1.764 92 2HG2 ILE 11 HMG ILE 11 -9.132 -0.730 0.633 93 3HG2 ILE 11 HMG ILE 11 -7.961 0.565 0.997 94 1HD1 ILE 11 HMD ILE 11 -7.423 -0.194 -1.075 95 2HD1 ILE 11 HMD ILE 11 -7.950 -0.791 -2.671 96 3HD1 ILE 11 HMD ILE 11 -7.472 0.916 -2.471 97 H ILE 12 HN ILE 12 -10.480 3.878 0.617 98 HA ILE 12 HA ILE 12 -10.423 3.507 3.410 99 HB ILE 12 HB ILE 12 -10.851 6.163 1.967 100 1HG1 ILE 12 HG1 ILE 12 -9.146 5.081 0.727 101 2HG1 ILE 12 HG1 ILE 12 -8.332 6.247 1.809 102 1HG2 ILE 12 HMG ILE 12 -10.638 5.675 4.641 103 2HG2 ILE 12 HMG ILE 12 -8.944 6.010 4.196 104 3HG2 ILE 12 HMG ILE 12 -10.215 7.208 3.834 105 1HD1 ILE 12 HMD ILE 12 -8.578 3.275 2.355 106 2HD1 ILE 12 HMD ILE 12 -7.159 4.063 1.615 107 3HD1 ILE 12 HMD ILE 12 -7.637 4.471 3.284 108 H LYS 13 HN LYS 13 -12.981 4.635 1.237 109 HA LYS 13 HA LYS 13 -14.928 5.241 3.267 110 1HB LYS 13 HBS LYS 13 -14.835 5.544 0.556 111 2HB LYS 13 HBR LYS 13 -15.900 4.117 0.712 112 1HG LYS 13 HGR LYS 13 -16.590 6.268 2.590 113 2HG LYS 13 HGS LYS 13 -16.679 6.780 0.880 114 1HD LYS 13 HDS LYS 13 -18.628 5.810 0.677 115 2HD LYS 13 HDR LYS 13 -17.854 4.270 0.930 116 1HE LYS 13 HES LYS 13 -18.502 4.089 3.100 117 2HE LYS 13 HER LYS 13 -18.519 5.859 3.340 118 1HZ LYS 13 HZA LYS 13 -20.481 5.815 1.802 119 2HZ LYS 13 HZB LYS 13 -20.536 4.197 2.020 120 3HZ LYS 13 HZC LYS 13 -20.724 5.199 3.296 121 H ASP 14 HN ASP 14 -14.015 2.326 1.441 122 HA ASP 14 HA ASP 14 -15.958 0.654 2.314 123 1HB ASP 14 HBS ASP 14 -14.216 0.206 0.587 124 2HB ASP 14 HBR ASP 14 -13.107 -0.232 1.919 125 H ALA 15 HN ALA 15 -12.971 1.472 4.011 126 HA ALA 15 HA ALA 15 -13.353 0.019 6.382 127 1HB ALA 15 HMB ALA 15 -11.480 1.690 5.548 128 2HB ALA 15 HMB ALA 15 -12.422 2.854 6.515 129 3HB ALA 15 HMB ALA 15 -11.763 1.386 7.281 130 H GLY 16 HN GLY 16 -14.671 3.180 5.392 131 1HA GLY 16 HAR GLY 16 -16.975 3.567 6.273 132 2HA GLY 16 HAS GLY 16 -16.308 3.253 7.897 133 H ALA 17 HN ALA 17 -14.165 4.867 5.754 134 HA ALA 17 HA ALA 17 -14.203 7.423 6.983 135 1HB ALA 17 HMB ALA 17 -12.619 6.193 5.186 136 2HB ALA 17 HMB ALA 17 -13.549 7.254 4.098 137 3HB ALA 17 HMB ALA 17 -12.635 7.954 5.458 138 H GLU 18 HN GLU 18 -15.303 9.253 6.600 139 HA GLU 18 HA GLU 18 -16.975 9.618 4.304 140 1HB GLU 18 HBR GLU 18 -18.240 8.078 6.005 141 2HB GLU 18 HBS GLU 18 -18.353 9.465 6.942 142 1HG GLU 18 HGS GLU 18 -20.341 9.704 5.934 143 2HG GLU 18 HGR GLU 18 -19.373 10.641 4.764 144 H ARG 19 HN ARG 19 -14.779 10.808 5.858 145 HA ARG 19 HA ARG 19 -15.616 13.480 5.344 146 1HB ARG 19 HBR ARG 19 -16.134 12.717 7.979 147 2HB ARG 19 HBS ARG 19 -14.575 13.587 8.061 148 1HG ARG 19 HGS ARG 19 -15.584 15.560 7.846 149 2HG ARG 19 HGR ARG 19 -16.469 15.016 6.393 150 1HD ARG 19 HDS ARG 19 -17.440 13.903 8.930 151 2HD ARG 19 HDR ARG 19 -17.602 15.675 8.770 152 HE ARG 19 HE ARG 19 -18.527 14.476 6.384 153 1HH1 ARG 19 HH1 ARG 19 -19.454 15.033 9.739 154 2HH1 ARG 19 HH1 ARG 19 -21.133 14.734 9.439 155 1HH2 ARG 19 HH2 ARG 19 -20.711 13.966 6.056 156 2HH2 ARG 19 HH2 ARG 19 -21.846 14.133 7.354 157 H VAL 20 HN VAL 20 -13.886 13.064 3.901 158 HA VAL 20 HA VAL 20 -11.191 13.080 5.156 159 HB VAL 20 HB VAL 20 -11.963 11.471 2.720 160 1HG1 VAL 20 HMG VAL 20 -9.501 11.517 4.474 161 2HG1 VAL 20 HMG VAL 20 -9.861 10.213 3.316 162 3HG1 VAL 20 HMG VAL 20 -9.628 11.880 2.736 163 1HG2 VAL 20 HMG VAL 20 -12.451 10.888 5.532 164 2HG2 VAL 20 HMG VAL 20 -13.047 10.075 4.065 165 3HG2 VAL 20 HMG VAL 20 -11.455 9.647 4.735 166 H SER 21 HN SER 21 -9.626 14.234 4.184 167 HA SER 21 HA SER 21 -10.395 16.064 2.004 168 1HB SER 21 HBS SER 21 -9.103 16.917 3.931 169 2HB SER 21 HBR SER 21 -7.754 15.836 3.477 170 HG SER 21 HG SER 21 -8.691 18.279 2.471 171 H ASP 22 HN ASP 22 -9.332 16.139 0.035 172 HA ASP 22 HA ASP 22 -8.559 13.662 -1.132 173 1HB ASP 22 HBS ASP 22 -9.071 16.317 -2.019 174 2HB ASP 22 HBR ASP 22 -7.506 15.769 -2.686 175 H ASP 23 HN ASP 23 -6.915 15.856 0.878 176 HA ASP 23 HA ASP 23 -4.296 15.169 -0.101 177 1HB ASP 23 HBS ASP 23 -5.420 17.228 1.458 178 2HB ASP 23 HBR ASP 23 -4.163 16.436 2.452 179 H ALA 24 HN ALA 24 -6.409 14.020 2.420 180 HA ALA 24 HA ALA 24 -4.495 12.236 3.688 181 1HB ALA 24 HMB ALA 24 -7.299 12.884 3.897 182 2HB ALA 24 HMB ALA 24 -7.071 11.120 3.791 183 3HB ALA 24 HMB ALA 24 -6.228 12.054 5.054 184 H ARG 25 HN ARG 25 -6.880 12.050 1.040 185 HA ARG 25 HA ARG 25 -6.576 9.405 0.380 186 1HB ARG 25 HBR ARG 25 -7.044 11.732 -1.513 187 2HB ARG 25 HBS ARG 25 -7.283 10.007 -1.917 188 1HG ARG 25 HGS ARG 25 -8.709 11.048 0.484 189 2HG ARG 25 HGR ARG 25 -9.272 11.623 -1.110 190 1HD ARG 25 HDS ARG 25 -9.953 9.563 -1.772 191 2HD ARG 25 HDR ARG 25 -8.749 8.717 -0.759 192 HE ARG 25 HE ARG 25 -10.219 8.837 1.065 193 1HH1 ARG 25 HH1 ARG 25 -11.617 10.244 -1.849 194 2HH1 ARG 25 HH1 ARG 25 -13.180 10.450 -1.132 195 1HH2 ARG 25 HH2 ARG 25 -12.242 9.233 2.007 196 2HH2 ARG 25 HH2 ARG 25 -13.535 9.874 1.049 197 H ILE 26 HN ILE 26 -4.569 12.138 -0.677 198 HA ILE 26 HA ILE 26 -2.900 10.555 -2.361 199 HB ILE 26 HB ILE 26 -3.311 13.081 -2.459 200 1HG1 ILE 26 HG1 ILE 26 -0.422 13.004 -2.663 201 2HG1 ILE 26 HG1 ILE 26 -1.120 11.446 -3.193 202 1HG2 ILE 26 HMG ILE 26 -1.572 12.979 -0.045 203 2HG2 ILE 26 HMG ILE 26 -1.308 14.296 -1.218 204 3HG2 ILE 26 HMG ILE 26 -2.909 14.081 -0.463 205 1HD1 ILE 26 HMD ILE 26 -2.752 13.286 -4.432 206 2HD1 ILE 26 HMD ILE 26 -1.154 14.077 -4.490 207 3HD1 ILE 26 HMD ILE 26 -1.368 12.446 -5.180 208 H THR 27 HN THR 27 -2.745 11.508 1.035 209 HA THR 27 HA THR 27 0.003 11.000 1.450 210 HB THR 27 HB THR 27 -2.343 10.995 3.430 211 HG1 THR 27 HG1 THR 27 -2.130 12.635 2.427 212 1HG2 THR 27 HMG THR 27 0.142 9.952 3.987 213 2HG2 THR 27 HMG THR 27 0.301 11.650 4.505 214 3HG2 THR 27 HMG THR 27 -0.998 10.632 5.177 215 H LEU 28 HN LEU 28 -2.867 8.949 2.006 216 HA LEU 28 HA LEU 28 -1.513 6.522 2.602 217 1HB LEU 28 HBR LEU 28 -4.082 7.447 2.411 218 2HB LEU 28 HBS LEU 28 -3.966 6.411 0.964 219 HG LEU 28 HG LEU 28 -3.653 4.466 2.225 220 1HD1 LEU 28 HMD LEU 28 -2.417 6.208 4.126 221 2HD1 LEU 28 HMD LEU 28 -3.739 5.334 4.938 222 3HD1 LEU 28 HMD LEU 28 -2.457 4.427 4.096 223 1HD2 LEU 28 HMD LEU 28 -5.910 5.735 2.283 224 2HD2 LEU 28 HMD LEU 28 -5.663 4.363 3.394 225 3HD2 LEU 28 HMD LEU 28 -5.519 6.034 3.996 226 H ALA 29 HN ALA 29 -2.578 7.969 -0.484 227 HA ALA 29 HA ALA 29 -1.759 5.961 -2.176 228 1HB ALA 29 HMB ALA 29 -2.935 8.337 -2.522 229 2HB ALA 29 HMB ALA 29 -1.306 8.745 -3.119 230 3HB ALA 29 HMB ALA 29 -2.216 7.403 -3.858 231 H LYS 30 HN LYS 30 0.172 8.725 -1.012 232 HA LYS 30 HA LYS 30 2.525 7.807 -2.398 233 1HB LYS 30 HBR LYS 30 1.724 10.134 -0.771 234 2HB LYS 30 HBS LYS 30 3.437 9.656 -0.596 235 1HG LYS 30 HGR LYS 30 3.920 10.078 -2.844 236 2HG LYS 30 HGS LYS 30 2.205 9.972 -3.336 237 1HD LYS 30 HDS LYS 30 2.457 12.202 -3.458 238 2HD LYS 30 HDR LYS 30 1.900 12.034 -1.816 239 1HE LYS 30 HES LYS 30 4.762 12.408 -2.689 240 2HE LYS 30 HER LYS 30 3.700 13.598 -1.885 241 1HZ LYS 30 HZB LYS 30 3.587 11.583 -0.197 242 2HZ LYS 30 HZC LYS 30 5.099 11.349 -0.770 243 3HZ LYS 30 HZA LYS 30 4.696 12.777 -0.086 244 H ILE 31 HN ILE 31 1.148 7.270 0.730 245 HA ILE 31 HA ILE 31 3.460 6.116 2.031 246 HB ILE 31 HB ILE 31 0.440 5.828 2.333 247 1HG1 ILE 31 HG1 ILE 31 2.380 6.889 4.387 248 2HG1 ILE 31 HG1 ILE 31 1.875 7.900 3.003 249 1HG2 ILE 31 HMG ILE 31 2.310 3.889 3.183 250 2HG2 ILE 31 HMG ILE 31 1.799 4.796 4.631 251 3HG2 ILE 31 HMG ILE 31 0.578 4.020 3.588 252 1HD1 ILE 31 HMD ILE 31 -0.502 7.532 3.695 253 2HD1 ILE 31 HMD ILE 31 0.106 6.702 5.153 254 3HD1 ILE 31 HMD ILE 31 0.479 8.426 4.887 255 H LEU 32 HN LEU 32 0.588 4.424 0.758 256 HA LEU 32 HA LEU 32 1.734 1.984 0.680 257 1HB LEU 32 HBR LEU 32 -0.595 3.299 -0.596 258 2HB LEU 32 HBS LEU 32 -0.123 1.714 -1.272 259 HG LEU 32 HG LEU 32 -0.266 0.825 1.106 260 1HD1 LEU 32 HMD LEU 32 -0.289 3.164 2.108 261 2HD1 LEU 32 HMD LEU 32 -1.968 3.292 1.526 262 3HD1 LEU 32 HMD LEU 32 -1.529 2.034 2.709 263 1HD2 LEU 32 HMD LEU 32 -2.436 1.700 -0.732 264 2HD2 LEU 32 HMD LEU 32 -1.978 0.068 -0.183 265 3HD2 LEU 32 HMD LEU 32 -2.931 1.131 0.883 266 H GLU 33 HN GLU 33 2.211 4.499 -1.646 267 HA GLU 33 HA GLU 33 3.387 2.913 -3.753 268 1HB GLU 33 HBS GLU 33 2.636 5.449 -3.326 269 2HB GLU 33 HBR GLU 33 4.281 5.681 -3.086 270 1HG GLU 33 HGS GLU 33 3.338 4.118 -5.476 271 2HG GLU 33 HGR GLU 33 3.112 5.886 -5.555 272 H GLU 34 HN GLU 34 4.767 4.844 -1.058 273 HA GLU 34 HA GLU 34 7.465 4.276 -1.636 274 1HB GLU 34 HBR GLU 34 5.980 5.056 0.874 275 2HB GLU 34 HBS GLU 34 7.636 4.789 0.864 276 1HG GLU 34 HGS GLU 34 6.174 6.949 -0.588 277 2HG GLU 34 HGR GLU 34 7.527 7.163 0.555 278 H MET 35 HN MET 35 5.177 2.705 0.615 279 HA MET 35 HA MET 35 6.865 0.547 1.408 280 1HB MET 35 HBS MET 35 4.085 1.321 1.660 281 2HB MET 35 HBR MET 35 4.228 -0.416 1.287 282 1HG MET 35 HGS MET 35 5.955 0.898 3.426 283 2HG MET 35 HGR MET 35 4.303 0.346 3.783 284 1HE MET 35 HME MET 35 4.036 -1.536 4.885 285 2HE MET 35 HME MET 35 3.634 -2.525 3.459 286 3HE MET 35 HME MET 35 4.776 -3.144 4.678 287 H GLY 36 HN GLY 36 4.683 1.050 -1.352 288 1HA GLY 36 HAR GLY 36 4.626 -1.656 -2.186 289 2HA GLY 36 HAS GLY 36 4.148 -0.247 -3.173 290 H ARG 37 HN ARG 37 6.428 1.162 -3.475 291 HA ARG 37 HA ARG 37 8.152 -0.291 -5.239 292 1HB ARG 37 HBR ARG 37 7.969 2.413 -4.133 293 2HB ARG 37 HBS ARG 37 9.652 1.830 -4.278 294 1HG ARG 37 HGS ARG 37 9.064 1.213 -6.686 295 2HG ARG 37 HGR ARG 37 7.581 2.183 -6.457 296 1HD ARG 37 HDS ARG 37 9.748 3.708 -5.482 297 2HD ARG 37 HDR ARG 37 10.239 3.032 -7.061 298 HE ARG 37 HE ARG 37 7.660 4.026 -7.416 299 1HH1 ARG 37 HH1 ARG 37 10.658 5.422 -6.193 300 2HH1 ARG 37 HH1 ARG 37 10.381 6.954 -6.952 301 1HH2 ARG 37 HH2 ARG 37 7.396 6.000 -8.497 302 2HH2 ARG 37 HH2 ARG 37 8.535 7.283 -8.254 303 H ASP 38 HN ASP 38 7.989 0.134 -1.786 304 HA ASP 38 HA ASP 38 10.628 -0.724 -1.244 305 1HB ASP 38 HBR ASP 38 8.305 0.057 0.261 306 2HB ASP 38 HBS ASP 38 9.106 -1.356 1.006 307 H ILE 39 HN ILE 39 7.547 -2.530 -1.032 308 HA ILE 39 HA ILE 39 8.788 -5.054 -0.426 309 HB ILE 39 HB ILE 39 6.068 -4.592 -1.734 310 1HG1 ILE 39 HG1 ILE 39 6.352 -4.782 1.247 311 2HG1 ILE 39 HG1 ILE 39 6.765 -3.237 0.452 312 1HG2 ILE 39 HMG ILE 39 7.023 -6.939 -1.515 313 2HG2 ILE 39 HMG ILE 39 6.823 -6.737 0.245 314 3HG2 ILE 39 HMG ILE 39 5.402 -6.652 -0.829 315 1HD1 ILE 39 HMD ILE 39 4.274 -4.127 -0.607 316 2HD1 ILE 39 HMD ILE 39 4.198 -4.260 1.170 317 3HD1 ILE 39 HMD ILE 39 4.610 -2.700 0.409 318 H ALA 40 HN ALA 40 8.532 -3.140 -3.250 319 HA ALA 40 HA ALA 40 8.567 -5.262 -5.249 320 1HB ALA 40 HMB ALA 40 8.700 -2.326 -5.164 321 2HB ALA 40 HMB ALA 40 9.736 -3.076 -6.405 322 3HB ALA 40 HMB ALA 40 7.988 -3.422 -6.375 323 H SER 41 HN SER 41 11.055 -2.782 -4.637 324 HA SER 41 HA SER 41 13.104 -4.333 -5.737 325 1HB SER 41 HBR SER 41 12.955 -1.805 -4.197 326 2HB SER 41 HBS SER 41 14.527 -2.656 -4.184 327 HG SER 41 HG SER 41 13.436 -1.045 -6.021 328 H GLU 42 HN GLU 42 11.653 -4.545 -2.650 329 HA GLU 42 HA GLU 42 13.811 -6.031 -1.396 330 1HB GLU 42 HBR GLU 42 10.958 -5.334 -0.864 331 2HB GLU 42 HBS GLU 42 11.557 -6.726 -0.141 332 1HG GLU 42 HGR GLU 42 11.899 -4.933 1.497 333 2HG GLU 42 HGS GLU 42 13.445 -5.569 0.871 334 H ALA 43 HN ALA 43 10.569 -6.936 -2.656 335 HA ALA 43 HA ALA 43 10.977 -9.723 -2.731 336 1HB ALA 43 HMB ALA 43 8.804 -8.580 -2.985 337 2HB ALA 43 HMB ALA 43 9.302 -8.033 -4.607 338 3HB ALA 43 HMB ALA 43 9.120 -9.774 -4.271 339 H ILE 44 HN ILE 44 12.193 -7.169 -4.742 340 HA ILE 44 HA ILE 44 12.893 -8.897 -6.945 341 HB ILE 44 HB ILE 44 13.555 -6.001 -6.237 342 1HG1 ILE 44 HG1 ILE 44 11.710 -7.135 -8.371 343 2HG1 ILE 44 HG1 ILE 44 11.183 -6.668 -6.729 344 1HG2 ILE 44 HMG ILE 44 14.585 -7.674 -8.452 345 2HG2 ILE 44 HMG ILE 44 13.996 -6.047 -8.884 346 3HG2 ILE 44 HMG ILE 44 15.281 -6.235 -7.661 347 1HD1 ILE 44 HMD ILE 44 12.407 -4.820 -8.800 348 2HD1 ILE 44 HMD ILE 44 10.679 -4.920 -8.367 349 3HD1 ILE 44 HMD ILE 44 11.869 -4.355 -7.164 350 H LYS 45 HN LYS 45 14.843 -7.052 -4.565 351 HA LYS 45 HA LYS 45 17.266 -8.468 -4.866 352 1HB LYS 45 HBS LYS 45 16.434 -6.416 -3.286 353 2HB LYS 45 HBR LYS 45 16.503 -7.749 -2.099 354 1HG LYS 45 HGR LYS 45 18.873 -8.192 -3.060 355 2HG LYS 45 HGS LYS 45 18.734 -6.551 -3.754 356 1HD LYS 45 HDS LYS 45 18.231 -5.702 -1.461 357 2HD LYS 45 HDR LYS 45 18.551 -7.300 -0.846 358 1HE LYS 45 HES LYS 45 20.665 -6.104 -2.545 359 2HE LYS 45 HER LYS 45 20.395 -5.404 -0.924 360 1HZ LYS 45 HZB LYS 45 20.785 -8.275 -1.397 361 2HZ LYS 45 HZC LYS 45 22.004 -7.255 -1.021 362 3HZ LYS 45 HZA LYS 45 20.784 -7.494 0.038 363 H LEU 46 HN LEU 46 14.213 -9.465 -3.648 364 HA LEU 46 HA LEU 46 15.208 -11.639 -2.056 365 1HB LEU 46 HBR LEU 46 12.702 -10.346 -2.775 366 2HB LEU 46 HBS LEU 46 12.540 -12.125 -2.722 367 HG LEU 46 HG LEU 46 13.266 -12.165 -0.420 368 1HD1 LEU 46 HMD LEU 46 14.689 -9.975 -0.971 369 2HD1 LEU 46 HMD LEU 46 13.262 -9.184 -0.254 370 3HD1 LEU 46 HMD LEU 46 14.181 -10.386 0.687 371 1HD2 LEU 46 HMD LEU 46 10.876 -11.699 -0.944 372 2HD2 LEU 46 HMD LEU 46 11.409 -11.010 0.610 373 3HD2 LEU 46 HMD LEU 46 11.224 -9.956 -0.815 374 H ALA 47 HN ALA 47 13.942 -11.320 -5.360 375 HA ALA 47 HA ALA 47 14.141 -14.060 -6.126 376 1HB ALA 47 HMB ALA 47 13.957 -11.423 -7.462 377 2HB ALA 47 HMB ALA 47 14.697 -12.738 -8.409 378 3HB ALA 47 HMB ALA 47 13.056 -12.935 -7.743 379 H ARG 48 HN ARG 48 16.474 -11.412 -5.884 380 HA ARG 48 HA ARG 48 18.628 -12.682 -7.159 381 1HB ARG 48 HBS ARG 48 18.378 -10.474 -5.144 382 2HB ARG 48 HBR ARG 48 19.990 -11.167 -5.484 383 1HG ARG 48 HGS ARG 48 18.114 -9.963 -7.548 384 2HG ARG 48 HGR ARG 48 19.524 -9.143 -6.819 385 1HD ARG 48 HDS ARG 48 21.037 -10.604 -7.830 386 2HD ARG 48 HDR ARG 48 19.758 -11.784 -8.234 387 HE ARG 48 HE ARG 48 20.508 -9.418 -9.745 388 1HH1 ARG 48 HH1 ARG 48 17.757 -11.474 -8.948 389 2HH1 ARG 48 HH1 ARG 48 17.026 -11.286 -10.507 390 1HH2 ARG 48 HH2 ARG 48 19.587 -9.299 -11.813 391 2HH2 ARG 48 HH2 ARG 48 18.059 -10.052 -12.127 392 H HIS 49 HN HIS 49 18.026 -12.381 -3.634 393 HA HIS 49 HA HIS 49 20.026 -14.275 -2.941 394 1HB HIS 49 HBS HIS 49 17.999 -12.709 -1.480 395 2HB HIS 49 HBR HIS 49 18.287 -14.329 -0.782 396 HD1 HIS 49 HD1 HIS 49 21.098 -12.391 -2.456 397 HD2 HIS 49 HD2 HIS 49 19.713 -13.295 1.367 398 HE1 HIS 49 HE1 HIS 49 22.849 -11.576 -0.859 399 HE2 HIS 49 HE2 HIS 49 22.006 -12.098 1.457 400 H ALA 50 HN ALA 50 16.771 -14.613 -4.022 401 HA ALA 50 HA ALA 50 16.250 -17.309 -3.170 402 1HB ALA 50 HMB ALA 50 14.655 -15.614 -4.238 403 2HB ALA 50 HMB ALA 50 15.392 -16.087 -5.790 404 3HB ALA 50 HMB ALA 50 14.564 -17.307 -4.789 405 H GLY 51 HN GLY 51 17.858 -15.848 -6.001 406 1HA GLY 51 HAR GLY 51 19.812 -17.157 -6.808 407 2HA GLY 51 HAS GLY 51 18.734 -18.578 -6.860 408 H ARG 52 HN ARG 52 17.357 -15.515 -7.697 409 HA ARG 52 HA ARG 52 16.957 -14.373 -9.636 410 1HB ARG 52 HBS ARG 52 19.384 -14.394 -9.884 411 2HB ARG 52 HBR ARG 52 19.306 -15.997 -10.670 412 1HG ARG 52 HGS ARG 52 17.923 -14.946 -12.485 413 2HG ARG 52 HGR ARG 52 18.252 -13.358 -11.735 414 1HD ARG 52 HDS ARG 52 19.762 -13.849 -13.591 415 2HD ARG 52 HDR ARG 52 20.623 -13.672 -12.036 416 HE ARG 52 HE ARG 52 20.328 -16.118 -13.629 417 1HH1 ARG 52 HH1 ARG 52 21.564 -14.532 -10.734 418 2HH1 ARG 52 HH1 ARG 52 22.456 -15.924 -10.220 419 1HH2 ARG 52 HH2 ARG 52 21.404 -17.958 -12.859 420 2HH2 ARG 52 HH2 ARG 52 22.368 -17.863 -11.422 421 H LYS 53 HN LYS 53 15.240 -14.682 -10.816 422 HA LYS 53 HA LYS 53 15.247 -16.268 -13.097 423 1HB LYS 53 HBS LYS 53 14.331 -17.744 -10.755 424 2HB LYS 53 HBR LYS 53 13.064 -17.614 -12.008 425 1HG LYS 53 HGR LYS 53 15.886 -18.677 -12.428 426 2HG LYS 53 HGS LYS 53 14.405 -19.665 -12.273 427 1HD LYS 53 HDS LYS 53 14.260 -19.597 -14.465 428 2HD LYS 53 HDR LYS 53 13.687 -17.966 -14.244 429 1HE LYS 53 HES LYS 53 15.333 -17.758 -15.866 430 2HE LYS 53 HER LYS 53 16.113 -17.228 -14.349 431 1HZ LYS 53 HZA LYS 53 16.541 -19.909 -14.503 432 2HZ LYS 53 HZB LYS 53 16.786 -19.384 -16.030 433 3HZ LYS 53 HZC LYS 53 17.634 -18.731 -14.796 434 H THR 54 HN THR 54 12.594 -15.852 -10.734 435 HA THR 54 HA THR 54 11.591 -13.450 -12.088 436 HB THR 54 HB THR 54 9.983 -16.067 -12.144 437 HG1 THR 54 HG1 THR 54 10.595 -16.325 -13.827 438 1HG2 THR 54 HMG THR 54 8.729 -13.821 -11.920 439 2HG2 THR 54 HMG THR 54 9.254 -13.535 -13.599 440 3HG2 THR 54 HMG THR 54 8.241 -14.949 -13.210 441 H ILE 55 HN ILE 55 10.224 -12.281 -10.860 442 HA ILE 55 HA ILE 55 9.890 -12.954 -8.044 443 HB ILE 55 HB ILE 55 8.590 -10.707 -9.656 444 1HG1 ILE 55 HG1 ILE 55 11.023 -10.724 -9.989 445 2HG1 ILE 55 HG1 ILE 55 10.481 -9.293 -9.067 446 1HG2 ILE 55 HMG ILE 55 9.154 -10.993 -6.697 447 2HG2 ILE 55 HMG ILE 55 8.547 -9.517 -7.492 448 3HG2 ILE 55 HMG ILE 55 7.561 -11.003 -7.498 449 1HD1 ILE 55 HMD ILE 55 11.476 -11.726 -7.610 450 2HD1 ILE 55 HMD ILE 55 12.632 -10.581 -8.343 451 3HD1 ILE 55 HMD ILE 55 11.477 -10.014 -7.108 452 H LYS 56 HN LYS 56 8.050 -13.565 -7.022 453 HA LYS 56 HA LYS 56 5.524 -13.841 -8.539 454 1HB LYS 56 HBR LYS 56 6.541 -16.170 -6.923 455 2HB LYS 56 HBS LYS 56 5.252 -16.111 -8.159 456 1HG LYS 56 HGR LYS 56 6.831 -16.009 -9.940 457 2HG LYS 56 HGS LYS 56 8.182 -15.675 -8.820 458 1HD LYS 56 HDS LYS 56 8.322 -17.839 -8.084 459 2HD LYS 56 HDR LYS 56 6.660 -18.193 -8.467 460 1HE LYS 56 HES LYS 56 8.366 -19.325 -9.916 461 2HE LYS 56 HER LYS 56 7.077 -18.419 -10.758 462 1HZ LYS 56 HZC LYS 56 9.675 -17.207 -10.168 463 2HZ LYS 56 HZA LYS 56 9.430 -18.079 -11.527 464 3HZ LYS 56 HZB LYS 56 8.553 -16.729 -11.254 465 H ALA 57 HN ALA 57 3.891 -14.948 -6.914 466 HA ALA 57 HA ALA 57 3.375 -13.016 -4.998 467 1HB ALA 57 HMB ALA 57 1.688 -14.484 -5.986 468 2HB ALA 57 HMB ALA 57 2.344 -15.866 -5.072 469 3HB ALA 57 HMB ALA 57 1.606 -14.495 -4.206 470 H GLU 58 HN GLU 58 4.937 -16.180 -4.609 471 HA GLU 58 HA GLU 58 5.144 -16.090 -1.786 472 1HB GLU 58 HBS GLU 58 5.305 -17.986 -3.290 473 2HB GLU 58 HBR GLU 58 6.773 -17.477 -3.924 474 1HG GLU 58 HGS GLU 58 7.920 -17.899 -1.846 475 2HG GLU 58 HGR GLU 58 6.404 -18.010 -0.912 476 H ASP 59 HN ASP 59 7.174 -14.811 -4.376 477 HA ASP 59 HA ASP 59 9.289 -14.018 -2.624 478 1HB ASP 59 HBS ASP 59 8.788 -14.031 -5.446 479 2HB ASP 59 HBR ASP 59 9.443 -12.448 -4.939 480 H ILE 60 HN ILE 60 6.399 -12.435 -3.866 481 HA ILE 60 HA ILE 60 6.870 -9.839 -2.749 482 HB ILE 60 HB ILE 60 4.273 -11.349 -3.320 483 1HG1 ILE 60 HG1 ILE 60 5.526 -11.155 -5.325 484 2HG1 ILE 60 HG1 ILE 60 4.255 -9.903 -5.387 485 1HG2 ILE 60 HMG ILE 60 4.698 -8.396 -2.811 486 2HG2 ILE 60 HMG ILE 60 3.178 -9.154 -3.355 487 3HG2 ILE 60 HMG ILE 60 3.849 -9.551 -1.750 488 1HD1 ILE 60 HMD ILE 60 6.290 -8.474 -4.312 489 2HD1 ILE 60 HMD ILE 60 7.202 -9.638 -5.310 490 3HD1 ILE 60 HMD ILE 60 5.965 -8.597 -6.062 491 H GLU 61 HN GLU 61 5.142 -12.731 -1.537 492 HA GLU 61 HA GLU 61 4.330 -11.525 0.954 493 1HB GLU 61 HBR GLU 61 4.574 -14.328 -0.128 494 2HB GLU 61 HBS GLU 61 4.233 -14.043 1.490 495 1HG GLU 61 HGS GLU 61 2.399 -12.377 0.538 496 2HG GLU 61 HGR GLU 61 2.390 -13.530 -0.824 497 H LEU 62 HN LEU 62 7.123 -13.386 -0.175 498 HA LEU 62 HA LEU 62 8.527 -13.618 2.268 499 1HB LEU 62 HBR LEU 62 9.056 -13.707 -0.631 500 2HB LEU 62 HBS LEU 62 10.458 -13.233 0.370 501 HG LEU 62 HG LEU 62 9.026 -15.613 1.338 502 1HD1 LEU 62 HMD LEU 62 9.873 -15.386 -1.474 503 2HD1 LEU 62 HMD LEU 62 10.599 -16.758 -0.599 504 3HD1 LEU 62 HMD LEU 62 8.827 -16.590 -0.679 505 1HD2 LEU 62 HMD LEU 62 11.224 -14.569 2.090 506 2HD2 LEU 62 HMD LEU 62 11.247 -16.322 1.768 507 3HD2 LEU 62 HMD LEU 62 11.923 -15.187 0.572 508 H ALA 63 HN ALA 63 8.806 -11.085 -0.256 509 HA ALA 63 HA ALA 63 10.381 -9.321 1.141 510 1HB ALA 63 HMB ALA 63 8.560 -9.199 -1.145 511 2HB ALA 63 HMB ALA 63 8.724 -7.645 -0.287 512 3HB ALA 63 HMB ALA 63 10.172 -8.477 -0.909 513 H VAL 64 HN VAL 64 6.810 -9.473 1.142 514 HA VAL 64 HA VAL 64 6.583 -6.991 2.428 515 HB VAL 64 HB VAL 64 4.992 -8.681 1.007 516 1HG1 VAL 64 HMG VAL 64 4.285 -9.945 3.014 517 2HG1 VAL 64 HMG VAL 64 3.578 -8.455 3.682 518 3HG1 VAL 64 HMG VAL 64 2.946 -9.138 2.165 519 1HG2 VAL 64 HMG VAL 64 4.911 -6.004 2.014 520 2HG2 VAL 64 HMG VAL 64 4.210 -6.699 0.532 521 3HG2 VAL 64 HMG VAL 64 3.271 -6.697 2.045 522 H ARG 65 HN ARG 65 5.888 -10.237 3.785 523 HA ARG 65 HA ARG 65 5.853 -9.488 6.453 524 1HB ARG 65 HBR ARG 65 6.263 -11.774 7.022 525 2HB ARG 65 HBS ARG 65 5.212 -11.712 5.579 526 1HG ARG 65 HGS ARG 65 7.510 -11.988 4.301 527 2HG ARG 65 HGR ARG 65 8.038 -12.676 5.863 528 1HD ARG 65 HDS ARG 65 5.671 -13.923 5.551 529 2HD ARG 65 HDR ARG 65 6.156 -13.713 3.845 530 HE ARG 65 HE ARG 65 8.407 -14.706 5.102 531 1HH1 ARG 65 HH1 ARG 65 5.046 -15.772 5.079 532 2HH1 ARG 65 HH1 ARG 65 5.465 -17.452 5.028 533 1HH2 ARG 65 HH2 ARG 65 8.915 -16.907 4.906 534 2HH2 ARG 65 HH2 ARG 65 7.654 -18.095 4.936 535 H ARG 66 HN ARG 66 8.560 -9.685 4.312 536 HA ARG 66 HA ARG 66 10.680 -9.942 6.227 537 1HB ARG 66 HBR ARG 66 10.703 -9.975 3.584 538 2HB ARG 66 HBS ARG 66 10.971 -8.220 3.790 539 1HG ARG 66 HGS ARG 66 12.862 -9.004 5.436 540 2HG ARG 66 HGR ARG 66 12.743 -10.534 4.521 541 1HD ARG 66 HDS ARG 66 13.397 -9.554 2.542 542 2HD ARG 66 HDR ARG 66 12.956 -7.912 3.091 543 HE ARG 66 HE ARG 66 15.382 -9.424 3.896 544 1HH1 ARG 66 HH1 ARG 66 13.494 -6.448 4.002 545 2HH1 ARG 66 HH1 ARG 66 14.871 -5.460 4.360 546 1HH2 ARG 66 HH2 ARG 66 17.179 -8.080 4.220 547 2HH2 ARG 66 HH2 ARG 66 16.957 -6.382 4.478 548 H PHE 67 HN PHE 67 8.934 -7.156 4.836 549 HA PHE 67 HA PHE 67 10.011 -5.152 6.535 550 1HB PHE 67 HBR PHE 67 7.164 -5.346 5.453 551 2HB PHE 67 HBS PHE 67 7.917 -3.905 6.195 552 HD1 PHE 67 HD1 PHE 67 7.897 -6.184 3.359 553 HD2 PHE 67 HD2 PHE 67 9.479 -2.524 4.859 554 HE1 PHE 67 HE1 PHE 67 8.998 -5.798 1.199 555 HE2 PHE 67 HE2 PHE 67 10.499 -2.055 2.655 556 HZ PHE 67 HZ PHE 67 10.253 -3.708 0.825 557 H LYS 68 HN LYS 68 6.899 -6.900 6.887 558 HA LYS 68 HA LYS 68 5.849 -7.798 8.710 559 1HB LYS 68 HBR LYS 68 8.605 -8.286 9.082 560 2HB LYS 68 HBS LYS 68 7.983 -7.706 10.653 561 1HG LYS 68 HGR LYS 68 6.773 -9.986 9.041 562 2HG LYS 68 HGS LYS 68 7.910 -10.189 10.405 563 1HD LYS 68 HDS LYS 68 6.268 -8.891 11.815 564 2HD LYS 68 HDR LYS 68 5.150 -9.002 10.484 565 1HE LYS 68 HES LYS 68 4.852 -10.721 12.284 566 2HE LYS 68 HER LYS 68 4.992 -11.333 10.612 567 1HZ LYS 68 HZA LYS 68 7.351 -11.141 12.317 568 2HZ LYS 68 HZB LYS 68 6.349 -12.425 12.448 569 3HZ LYS 68 HZC LYS 68 7.090 -12.107 11.027 570 H LYS 69 HN LYS 69 8.284 -5.848 10.442 571 HA LYS 69 HA LYS 69 6.033 -4.414 11.779 572 1HB LYS 69 HBS LYS 69 7.209 -6.310 13.054 573 2HB LYS 69 HBR LYS 69 8.621 -5.217 13.116 574 1HG LYS 69 HGR LYS 69 6.675 -3.544 14.013 575 2HG LYS 69 HGS LYS 69 6.040 -5.111 14.592 576 1HD LYS 69 HDS LYS 69 7.619 -5.363 16.135 577 2HD LYS 69 HDR LYS 69 8.883 -4.793 15.079 578 1HE LYS 69 HES LYS 69 7.034 -2.689 15.966 579 2HE LYS 69 HER LYS 69 7.992 -3.473 17.255 580 1HZ LYS 69 HZC LYS 69 9.959 -2.989 15.971 581 2HZ LYS 69 HZA LYS 69 9.078 -2.253 14.810 582 3HZ LYS 69 HZB LYS 69 9.148 -1.613 16.311 583 1H MET 1 HNC MET 1 -13.499 -4.359 -7.141 584 2H MET 1 HN MET 1 -14.195 -3.170 -6.265 585 3H MET 1 HNB MET 1 -13.000 -2.814 -7.320 586 HA MET 1 HA MET 1 -11.997 -2.692 -5.289 587 1HB MET 1 HBS MET 1 -12.190 -4.372 -3.584 588 2HB MET 1 HBR MET 1 -13.801 -3.767 -4.033 589 1HG MET 1 HGS MET 1 -12.669 -6.266 -5.355 590 2HG MET 1 HGR MET 1 -13.359 -6.357 -3.721 591 1HE MET 1 HME MET 1 -13.690 -7.019 -6.910 592 2HE MET 1 HME MET 1 -15.408 -7.472 -7.033 593 3HE MET 1 HME MET 1 -14.837 -5.942 -7.746 594 H GLU 2 HN GLU 2 -10.245 -4.339 -4.345 595 HA GLU 2 HA GLU 2 -8.281 -5.443 -4.759 596 1HB GLU 2 HBR GLU 2 -9.733 -6.641 -7.125 597 2HB GLU 2 HBS GLU 2 -8.261 -7.118 -6.477 598 1HG GLU 2 HGS GLU 2 -9.695 -7.253 -4.208 599 2HG GLU 2 HGR GLU 2 -10.963 -7.736 -5.367 600 H LEU 3 HN LEU 3 -6.575 -4.447 -5.485 601 HA LEU 3 HA LEU 3 -6.908 -2.275 -7.329 602 1HB LEU 3 HBR LEU 3 -4.243 -3.236 -6.340 603 2HB LEU 3 HBS LEU 3 -4.858 -1.571 -6.547 604 HG LEU 3 HG LEU 3 -5.574 -3.502 -4.325 605 1HD1 LEU 3 HMD LEU 3 -3.798 -1.070 -4.538 606 2HD1 LEU 3 HMD LEU 3 -4.517 -1.570 -2.987 607 3HD1 LEU 3 HMD LEU 3 -3.427 -2.675 -3.861 608 1HD2 LEU 3 HMD LEU 3 -7.129 -1.516 -5.433 609 2HD2 LEU 3 HMD LEU 3 -7.256 -2.124 -3.763 610 3HD2 LEU 3 HMD LEU 3 -6.296 -0.663 -4.109 611 HA PRO 4 HA PRO 4 -5.572 -4.118 -11.110 612 1HB PRO 4 HBR PRO 4 -4.922 -1.751 -12.245 613 2HB PRO 4 HBS PRO 4 -6.349 -2.542 -12.429 614 1HG PRO 4 HGS PRO 4 -5.921 -0.205 -11.099 615 2HG PRO 4 HGR PRO 4 -7.374 -1.000 -11.297 616 1HD PRO 4 HDS PRO 4 -5.756 -0.911 -9.028 617 2HD PRO 4 HDR PRO 4 -7.307 -1.471 -9.157 618 H ILE 5 HN ILE 5 -3.766 -4.704 -12.220 619 HA ILE 5 HA ILE 5 -1.336 -4.160 -10.677 620 HB ILE 5 HB ILE 5 -0.417 -6.094 -11.907 621 1HG1 ILE 5 HG1 ILE 5 -2.944 -6.843 -13.245 622 2HG1 ILE 5 HG1 ILE 5 -2.180 -5.364 -13.892 623 1HG2 ILE 5 HMG ILE 5 -3.076 -6.384 -10.559 624 2HG2 ILE 5 HMG ILE 5 -2.273 -7.812 -11.264 625 3HG2 ILE 5 HMG ILE 5 -1.450 -6.859 -10.001 626 1HD1 ILE 5 HMD ILE 5 -0.669 -7.958 -13.528 627 2HD1 ILE 5 HMD ILE 5 -1.563 -7.555 -15.018 628 3HD1 ILE 5 HMD ILE 5 -0.207 -6.525 -14.486 629 H ALA 6 HN ALA 6 -2.636 -2.299 -12.771 630 HA ALA 6 HA ALA 6 -0.506 -2.088 -14.789 631 1HB ALA 6 HMB ALA 6 -3.234 -1.073 -14.418 632 2HB ALA 6 HMB ALA 6 -2.086 0.150 -15.020 633 3HB ALA 6 HMB ALA 6 -2.308 -1.377 -15.910 634 HA PRO 7 HA PRO 7 0.192 1.866 -12.067 635 1HB PRO 7 HBR PRO 7 -1.204 1.889 -9.783 636 2HB PRO 7 HBS PRO 7 -1.542 2.822 -11.091 637 1HG PRO 7 HGS PRO 7 -2.917 0.586 -10.160 638 2HG PRO 7 HGR PRO 7 -3.456 1.779 -11.195 639 1HD PRO 7 HDS PRO 7 -2.717 -0.718 -11.914 640 2HD PRO 7 HDR PRO 7 -3.001 0.543 -12.945 641 H ILE 8 HN ILE 8 -0.760 -0.768 -9.999 642 HA ILE 8 HA ILE 8 1.534 -0.838 -8.424 643 HB ILE 8 HB ILE 8 -0.280 -3.128 -9.327 644 1HG1 ILE 8 HG1 ILE 8 -0.316 -1.328 -6.873 645 2HG1 ILE 8 HG1 ILE 8 -1.460 -1.295 -8.245 646 1HG2 ILE 8 HMG ILE 8 2.015 -3.767 -8.354 647 2HG2 ILE 8 HMG ILE 8 1.362 -3.166 -6.807 648 3HG2 ILE 8 HMG ILE 8 0.552 -4.510 -7.656 649 1HD1 ILE 8 HMD ILE 8 -2.150 -3.620 -7.631 650 2HD1 ILE 8 HMD ILE 8 -1.129 -3.483 -6.175 651 3HD1 ILE 8 HMD ILE 8 -2.520 -2.389 -6.395 652 H GLY 9 HN GLY 9 0.979 -2.120 -11.660 653 1HA GLY 9 HAR GLY 9 3.216 -3.730 -11.974 654 2HA GLY 9 HAS GLY 9 2.449 -2.811 -13.297 655 H ARG 10 HN ARG 10 2.924 -0.226 -12.679 656 HA ARG 10 HA ARG 10 5.679 -0.055 -13.499 657 1HB ARG 10 HBR ARG 10 4.112 2.406 -12.862 658 2HB ARG 10 HBS ARG 10 5.196 2.043 -14.235 659 1HG ARG 10 HGS ARG 10 3.375 0.490 -15.090 660 2HG ARG 10 HGR ARG 10 2.308 1.212 -13.852 661 1HD ARG 10 HDS ARG 10 2.840 3.445 -14.806 662 2HD ARG 10 HDR ARG 10 3.714 2.613 -16.123 663 HE ARG 10 HE ARG 10 1.298 1.427 -16.256 664 1HH1 ARG 10 HH1 ARG 10 2.349 4.792 -16.294 665 2HH1 ARG 10 HH1 ARG 10 0.899 5.350 -17.060 666 1HH2 ARG 10 HH2 ARG 10 -0.636 2.212 -17.139 667 2HH2 ARG 10 HH2 ARG 10 -0.790 3.890 -17.539 668 H ILE 11 HN ILE 11 4.018 0.255 -10.501 669 HA ILE 11 HA ILE 11 5.923 1.788 -9.021 670 HB ILE 11 HB ILE 11 4.033 -0.468 -8.195 671 1HG1 ILE 11 HG1 ILE 11 3.116 1.676 -9.206 672 2HG1 ILE 11 HG1 ILE 11 2.475 1.199 -7.608 673 1HG2 ILE 11 HMG ILE 11 6.097 0.887 -6.663 674 2HG2 ILE 11 HMG ILE 11 4.474 1.108 -5.957 675 3HG2 ILE 11 HMG ILE 11 5.102 -0.535 -6.253 676 1HD1 ILE 11 HMD ILE 11 4.399 2.816 -6.755 677 2HD1 ILE 11 HMD ILE 11 4.183 3.526 -8.377 678 3HD1 ILE 11 HMD ILE 11 2.801 3.432 -7.253 679 H ILE 12 HN ILE 12 5.496 -1.772 -9.096 680 HA ILE 12 HA ILE 12 7.929 -2.314 -7.793 681 HB ILE 12 HB ILE 12 6.528 -4.209 -9.731 682 1HG1 ILE 12 HG1 ILE 12 4.743 -3.289 -8.484 683 2HG1 ILE 12 HG1 ILE 12 5.101 -4.878 -7.753 684 1HG2 ILE 12 HMG ILE 12 8.634 -4.507 -7.793 685 2HG2 ILE 12 HMG ILE 12 7.238 -5.528 -7.359 686 3HG2 ILE 12 HMG ILE 12 7.987 -5.680 -8.971 687 1HD1 ILE 12 HMD ILE 12 6.022 -2.204 -6.657 688 2HD1 ILE 12 HMD ILE 12 4.615 -3.133 -6.076 689 3HD1 ILE 12 HMD ILE 12 6.258 -3.806 -5.909 690 H LYS 13 HN LYS 13 7.136 -2.007 -11.225 691 HA LYS 13 HA LYS 13 9.684 -2.615 -12.286 692 1HB LYS 13 HBR LYS 13 7.314 -1.032 -13.175 693 2HB LYS 13 HBS LYS 13 8.867 -0.741 -14.007 694 1HG LYS 13 HGR LYS 13 9.022 -3.073 -14.653 695 2HG LYS 13 HGS LYS 13 7.576 -3.477 -13.685 696 1HD LYS 13 HDS LYS 13 6.882 -3.407 -15.925 697 2HD LYS 13 HDR LYS 13 6.226 -2.020 -15.100 698 1HE LYS 13 HES LYS 13 8.038 -0.611 -16.026 699 2HE LYS 13 HER LYS 13 8.596 -2.034 -16.950 700 1HZ LYS 13 HZA LYS 13 5.844 -1.601 -17.312 701 2HZ LYS 13 HZB LYS 13 6.675 -0.248 -17.693 702 3HZ LYS 13 HZC LYS 13 7.034 -1.662 -18.428 703 H ASP 14 HN ASP 14 8.279 0.466 -11.146 704 HA ASP 14 HA ASP 14 10.368 2.096 -11.704 705 1HB ASP 14 HBS ASP 14 8.164 2.824 -10.930 706 2HB ASP 14 HBR ASP 14 8.605 2.326 -9.270 707 H ALA 15 HN ALA 15 10.006 0.054 -8.848 708 HA ALA 15 HA ALA 15 12.389 0.555 -7.532 709 1HB ALA 15 HMB ALA 15 10.411 -1.470 -7.576 710 2HB ALA 15 HMB ALA 15 11.995 -2.278 -7.691 711 3HB ALA 15 HMB ALA 15 11.659 -1.164 -6.341 712 H GLY 16 HN GLY 16 11.856 -1.528 -10.373 713 1HA GLY 16 HAR GLY 16 13.808 -1.798 -11.909 714 2HA GLY 16 HAS GLY 16 14.793 -2.107 -10.454 715 H ALA 17 HN ALA 17 11.540 -3.295 -10.446 716 HA ALA 17 HA ALA 17 12.131 -6.004 -10.301 717 1HB ALA 17 HMB ALA 17 9.921 -4.598 -9.967 718 2HB ALA 17 HMB ALA 17 9.595 -5.150 -11.630 719 3HB ALA 17 HMB ALA 17 9.877 -6.341 -10.334 720 H GLU 18 HN GLU 18 12.794 -7.482 -11.664 721 HA GLU 18 HA GLU 18 13.468 -6.696 -14.412 722 1HB GLU 18 HBR GLU 18 14.762 -8.117 -12.630 723 2HB GLU 18 HBS GLU 18 13.694 -9.340 -13.057 724 1HG GLU 18 HGS GLU 18 15.909 -9.418 -14.253 725 2HG GLU 18 HGR GLU 18 14.474 -9.607 -15.297 726 H ARG 19 HN ARG 19 11.367 -9.033 -12.711 727 HA ARG 19 HA ARG 19 9.249 -8.768 -14.653 728 1HB ARG 19 HBR ARG 19 11.307 -10.813 -15.082 729 2HB ARG 19 HBS ARG 19 9.659 -11.486 -14.930 730 1HG ARG 19 HGS ARG 19 10.535 -9.326 -16.879 731 2HG ARG 19 HGR ARG 19 10.255 -11.046 -17.271 732 1HD ARG 19 HDS ARG 19 7.926 -10.465 -16.083 733 2HD ARG 19 HDR ARG 19 8.342 -8.856 -16.738 734 HE ARG 19 HE ARG 19 8.516 -11.132 -18.592 735 1HH1 ARG 19 HH1 ARG 19 6.901 -8.168 -17.572 736 2HH1 ARG 19 HH1 ARG 19 5.837 -8.149 -18.938 737 1HH2 ARG 19 HH2 ARG 19 7.021 -11.143 -20.296 738 2HH2 ARG 19 HH2 ARG 19 5.905 -9.831 -20.481 739 H VAL 20 HN VAL 20 7.852 -8.533 -13.012 740 HA VAL 20 HA VAL 20 7.502 -10.752 -11.089 741 HB VAL 20 HB VAL 20 5.455 -9.287 -10.467 742 1HG1 VAL 20 HMG VAL 20 8.319 -8.931 -9.767 743 2HG1 VAL 20 HMG VAL 20 7.191 -7.663 -9.228 744 3HG1 VAL 20 HMG VAL 20 6.922 -9.356 -8.749 745 1HG2 VAL 20 HMG VAL 20 5.838 -7.816 -12.538 746 2HG2 VAL 20 HMG VAL 20 5.449 -7.023 -10.993 747 3HG2 VAL 20 HMG VAL 20 7.129 -7.049 -11.581 748 H SER 21 HN SER 21 5.920 -12.217 -11.220 749 HA SER 21 HA SER 21 4.436 -12.609 -13.682 750 1HB SER 21 HBS SER 21 3.341 -14.415 -12.520 751 2HB SER 21 HBR SER 21 5.107 -14.499 -12.260 752 HG SER 21 HG SER 21 4.954 -13.645 -10.236 753 H ASP 22 HN ASP 22 2.056 -12.765 -13.656 754 HA ASP 22 HA ASP 22 0.751 -10.423 -12.637 755 1HB ASP 22 HBS ASP 22 -1.348 -11.724 -13.256 756 2HB ASP 22 HBR ASP 22 -0.213 -11.243 -14.550 757 H ASP 23 HN ASP 23 1.651 -13.437 -11.291 758 HA ASP 23 HA ASP 23 -0.125 -13.452 -9.051 759 1HB ASP 23 HBS ASP 23 2.160 -14.947 -9.942 760 2HB ASP 23 HBR ASP 23 2.304 -14.538 -8.208 761 H ALA 24 HN ALA 24 3.259 -12.308 -9.324 762 HA ALA 24 HA ALA 24 3.409 -11.318 -6.761 763 1HB ALA 24 HMB ALA 24 4.859 -10.515 -9.286 764 2HB ALA 24 HMB ALA 24 5.279 -9.869 -7.680 765 3HB ALA 24 HMB ALA 24 5.391 -11.620 -7.993 766 H ARG 25 HN ARG 25 2.526 -9.531 -9.723 767 HA ARG 25 HA ARG 25 2.226 -7.002 -8.576 768 1HB ARG 25 HBR ARG 25 0.968 -8.338 -10.966 769 2HB ARG 25 HBS ARG 25 0.460 -6.702 -10.457 770 1HG ARG 25 HGS ARG 25 2.596 -5.791 -10.880 771 2HG ARG 25 HGR ARG 25 3.355 -7.405 -10.983 772 1HD ARG 25 HDS ARG 25 1.204 -6.505 -12.881 773 2HD ARG 25 HDR ARG 25 2.933 -6.150 -13.152 774 HE ARG 25 HE ARG 25 2.319 -8.959 -12.652 775 1HH1 ARG 25 HH1 ARG 25 2.390 -6.464 -15.142 776 2HH1 ARG 25 HH1 ARG 25 2.832 -7.575 -16.396 777 1HH2 ARG 25 HH2 ARG 25 3.020 -10.358 -14.291 778 2HH2 ARG 25 HH2 ARG 25 3.187 -9.779 -15.915 779 H ILE 26 HN ILE 26 -0.326 -9.443 -9.201 780 HA ILE 26 HA ILE 26 -2.404 -8.123 -7.904 781 HB ILE 26 HB ILE 26 -1.896 -11.119 -8.237 782 1HG1 ILE 26 HG1 ILE 26 -1.936 -9.597 -10.268 783 2HG1 ILE 26 HG1 ILE 26 -3.068 -10.978 -10.281 784 1HG2 ILE 26 HMG ILE 26 -4.287 -9.637 -7.213 785 2HG2 ILE 26 HMG ILE 26 -4.512 -11.116 -8.184 786 3HG2 ILE 26 HMG ILE 26 -3.570 -11.178 -6.671 787 1HD1 ILE 26 HMD ILE 26 -3.784 -8.103 -9.632 788 2HD1 ILE 26 HMD ILE 26 -4.102 -8.944 -11.173 789 3HD1 ILE 26 HMD ILE 26 -4.909 -9.486 -9.677 790 H THR 27 HN THR 27 0.284 -9.903 -6.570 791 HA THR 27 HA THR 27 -0.889 -10.478 -4.052 792 HB THR 27 HB THR 27 2.070 -10.295 -4.857 793 HG1 THR 27 HG1 THR 27 0.265 -12.289 -4.471 794 1HG2 THR 27 HMG THR 27 1.878 -10.177 -2.434 795 2HG2 THR 27 HMG THR 27 0.856 -11.636 -2.427 796 3HG2 THR 27 HMG THR 27 2.556 -11.742 -2.950 797 H LEU 28 HN LEU 28 1.271 -7.856 -5.138 798 HA LEU 28 HA LEU 28 1.293 -6.370 -2.705 799 1HB LEU 28 HBR LEU 28 1.816 -5.901 -5.607 800 2HB LEU 28 HBS LEU 28 1.547 -4.473 -4.569 801 HG LEU 28 HG LEU 28 3.872 -4.743 -4.719 802 1HD1 LEU 28 HMD LEU 28 2.529 -5.145 -2.243 803 2HD1 LEU 28 HMD LEU 28 3.978 -6.180 -2.244 804 3HD1 LEU 28 HMD LEU 28 4.134 -4.429 -2.534 805 1HD2 LEU 28 HMD LEU 28 3.211 -7.660 -4.358 806 2HD2 LEU 28 HMD LEU 28 4.170 -6.862 -5.630 807 3HD2 LEU 28 HMD LEU 28 4.842 -7.043 -3.989 808 H ALA 29 HN ALA 29 -0.999 -6.638 -5.380 809 HA ALA 29 HA ALA 29 -2.516 -4.336 -4.847 810 1HB ALA 29 HMB ALA 29 -2.586 -5.710 -6.915 811 2HB ALA 29 HMB ALA 29 -3.509 -6.946 -6.022 812 3HB ALA 29 HMB ALA 29 -4.194 -5.317 -6.253 813 H LYS 30 HN LYS 30 -3.029 -7.713 -3.780 814 HA LYS 30 HA LYS 30 -5.249 -7.030 -2.098 815 1HB LYS 30 HBR LYS 30 -3.731 -9.440 -2.814 816 2HB LYS 30 HBS LYS 30 -4.283 -9.418 -1.115 817 1HG LYS 30 HGR LYS 30 -6.595 -8.755 -2.144 818 2HG LYS 30 HGS LYS 30 -5.909 -9.409 -3.659 819 1HD LYS 30 HDS LYS 30 -6.609 -11.389 -3.016 820 2HD LYS 30 HDR LYS 30 -5.279 -11.363 -1.891 821 1HE LYS 30 HES LYS 30 -6.883 -10.192 -0.264 822 2HE LYS 30 HER LYS 30 -8.160 -10.756 -1.378 823 1HZ LYS 30 HZB LYS 30 -6.778 -12.962 -1.040 824 2HZ LYS 30 HZC LYS 30 -6.494 -12.270 0.412 825 3HZ LYS 30 HZA LYS 30 -8.028 -12.545 -0.075 826 H ILE 31 HN ILE 31 -1.790 -7.116 -1.688 827 HA ILE 31 HA ILE 31 -1.700 -6.989 1.205 828 HB ILE 31 HB ILE 31 0.207 -6.189 -1.039 829 1HG1 ILE 31 HG1 ILE 31 0.579 -8.375 1.020 830 2HG1 ILE 31 HG1 ILE 31 -0.403 -8.628 -0.451 831 1HG2 ILE 31 HMG ILE 31 0.631 -4.703 0.854 832 2HG2 ILE 31 HMG ILE 31 0.797 -6.117 1.929 833 3HG2 ILE 31 HMG ILE 31 1.965 -5.861 0.606 834 1HD1 ILE 31 HMD ILE 31 1.562 -8.057 -1.833 835 2HD1 ILE 31 HMD ILE 31 2.534 -7.875 -0.348 836 3HD1 ILE 31 HMD ILE 31 1.855 -9.467 -0.780 837 H LEU 32 HN LEU 32 -0.844 -4.433 -1.121 838 HA LEU 32 HA LEU 32 -0.922 -2.440 0.710 839 1HB LEU 32 HBR LEU 32 -1.126 -2.566 -2.276 840 2HB LEU 32 HBS LEU 32 -1.269 -0.982 -1.462 841 HG LEU 32 HG LEU 32 0.988 -1.784 -0.318 842 1HD1 LEU 32 HMD LEU 32 0.965 -3.979 -1.478 843 2HD1 LEU 32 HMD LEU 32 1.046 -3.126 -3.040 844 3HD1 LEU 32 HMD LEU 32 2.394 -2.995 -1.882 845 1HD2 LEU 32 HMD LEU 32 0.420 -0.506 -2.983 846 2HD2 LEU 32 HMD LEU 32 0.935 0.244 -1.451 847 3HD2 LEU 32 HMD LEU 32 2.098 -0.701 -2.415 848 H GLU 33 HN GLU 33 -3.648 -3.692 -1.099 849 HA GLU 33 HA GLU 33 -5.443 -1.581 -0.323 850 1HB GLU 33 HBR GLU 33 -5.603 -2.975 -2.349 851 2HB GLU 33 HBS GLU 33 -5.742 -4.351 -1.399 852 1HG GLU 33 HGS GLU 33 -7.791 -2.818 -0.387 853 2HG GLU 33 HGR GLU 33 -7.931 -2.524 -2.141 854 H GLU 34 HN GLU 34 -4.523 -4.708 1.013 855 HA GLU 34 HA GLU 34 -6.393 -4.770 3.213 856 1HB GLU 34 HBR GLU 34 -3.975 -6.088 2.283 857 2HB GLU 34 HBS GLU 34 -3.831 -5.699 3.907 858 1HG GLU 34 HGS GLU 34 -6.192 -7.203 2.829 859 2HG GLU 34 HGR GLU 34 -4.811 -8.017 3.613 860 H MET 35 HN MET 35 -3.325 -3.138 2.510 861 HA MET 35 HA MET 35 -3.042 -2.072 5.141 862 1HB MET 35 HBS MET 35 -1.548 -2.103 2.662 863 2HB MET 35 HBR MET 35 -1.523 -0.478 3.406 864 1HG MET 35 HGS MET 35 -0.906 -1.630 5.604 865 2HG MET 35 HGR MET 35 -0.686 -3.119 4.653 866 1HE MET 35 HME MET 35 1.341 -1.445 6.431 867 2HE MET 35 HME MET 35 2.636 -0.590 5.555 868 3HE MET 35 HME MET 35 1.060 0.201 5.810 869 H GLY 36 HN GLY 36 -4.395 -0.826 2.119 870 1HA GLY 36 HAR GLY 36 -4.735 1.852 2.998 871 2HA GLY 36 HAS GLY 36 -5.575 1.083 1.622 872 H ARG 37 HN ARG 37 -6.917 -0.971 2.964 873 HA ARG 37 HA ARG 37 -9.169 0.261 4.220 874 1HB ARG 37 HBR ARG 37 -8.398 -2.356 3.394 875 2HB ARG 37 HBS ARG 37 -8.856 -2.438 5.120 876 1HG ARG 37 HGS ARG 37 -10.870 -0.899 4.016 877 2HG ARG 37 HGR ARG 37 -10.522 -2.089 2.729 878 1HD ARG 37 HDS ARG 37 -11.775 -3.520 3.841 879 2HD ARG 37 HDR ARG 37 -10.494 -3.561 5.084 880 HE ARG 37 HE ARG 37 -13.017 -2.028 5.199 881 1HH1 ARG 37 HH1 ARG 37 -9.863 -2.658 6.642 882 2HH1 ARG 37 HH1 ARG 37 -10.386 -2.231 8.237 883 1HH2 ARG 37 HH2 ARG 37 -13.699 -1.604 7.319 884 2HH2 ARG 37 HH2 ARG 37 -12.557 -1.635 8.621 885 H ASP 38 HN ASP 38 -6.138 -1.130 5.404 886 HA ASP 38 HA ASP 38 -6.818 -1.011 8.150 887 1HB ASP 38 HBS ASP 38 -4.914 -2.017 8.460 888 2HB ASP 38 HBR ASP 38 -4.759 -2.029 6.684 889 H ILE 39 HN ILE 39 -4.748 1.254 6.295 890 HA ILE 39 HA ILE 39 -4.437 3.003 8.566 891 HB ILE 39 HB ILE 39 -3.950 3.685 5.630 892 1HG1 ILE 39 HG1 ILE 39 -1.851 2.468 7.434 893 2HG1 ILE 39 HG1 ILE 39 -2.972 1.438 6.502 894 1HG2 ILE 39 HMG ILE 39 -2.666 4.683 8.182 895 2HG2 ILE 39 HMG ILE 39 -2.148 5.106 6.529 896 3HG2 ILE 39 HMG ILE 39 -3.765 5.586 7.107 897 1HD1 ILE 39 HMD ILE 39 -1.305 3.587 5.194 898 2HD1 ILE 39 HMD ILE 39 -0.689 1.935 5.468 899 3HD1 ILE 39 HMD ILE 39 -2.124 2.193 4.441 900 H ALA 40 HN ALA 40 -6.870 2.532 6.190 901 HA ALA 40 HA ALA 40 -8.060 5.167 6.183 902 1HB ALA 40 HMB ALA 40 -8.510 3.375 4.506 903 2HB ALA 40 HMB ALA 40 -9.389 2.477 5.770 904 3HB ALA 40 HMB ALA 40 -9.970 4.079 5.247 905 H SER 41 HN SER 41 -9.369 2.164 7.616 906 HA SER 41 HA SER 41 -11.016 3.451 9.440 907 1HB SER 41 HBS SER 41 -10.631 0.871 8.693 908 2HB SER 41 HBR SER 41 -9.987 0.842 10.360 909 HG SER 41 HG SER 41 -12.579 1.340 9.265 910 H GLU 42 HN GLU 42 -7.620 3.079 9.550 911 HA GLU 42 HA GLU 42 -7.422 3.503 12.426 912 1HB GLU 42 HBR GLU 42 -5.627 3.102 10.076 913 2HB GLU 42 HBS GLU 42 -5.003 3.958 11.378 914 1HG GLU 42 HGS GLU 42 -4.507 1.519 11.478 915 2HG GLU 42 HGR GLU 42 -5.217 2.174 12.979 916 H ALA 43 HN ALA 43 -6.910 5.391 9.444 917 HA ALA 43 HA ALA 43 -6.367 7.896 10.808 918 1HB ALA 43 HMB ALA 43 -7.095 7.083 8.001 919 2HB ALA 43 HMB ALA 43 -7.078 8.793 8.502 920 3HB ALA 43 HMB ALA 43 -5.592 7.816 8.618 921 H ILE 44 HN ILE 44 -9.117 5.927 10.209 922 HA ILE 44 HA ILE 44 -10.994 8.159 10.379 923 HB ILE 44 HB ILE 44 -11.314 5.152 9.944 924 1HG1 ILE 44 HG1 ILE 44 -11.901 7.383 7.983 925 2HG1 ILE 44 HG1 ILE 44 -10.251 6.733 8.204 926 1HG2 ILE 44 HMG ILE 44 -13.440 7.288 10.088 927 2HG2 ILE 44 HMG ILE 44 -13.669 5.743 9.227 928 3HG2 ILE 44 HMG ILE 44 -13.341 5.747 10.980 929 1HD1 ILE 44 HMD ILE 44 -11.624 4.431 7.841 930 2HD1 ILE 44 HMD ILE 44 -12.617 5.548 6.868 931 3HD1 ILE 44 HMD ILE 44 -10.877 5.364 6.517 932 H LYS 45 HN LYS 45 -10.516 5.073 12.146 933 HA LYS 45 HA LYS 45 -11.920 5.758 14.496 934 1HB LYS 45 HBR LYS 45 -10.889 3.505 13.839 935 2HB LYS 45 HBS LYS 45 -9.356 4.158 14.483 936 1HG LYS 45 HGR LYS 45 -9.993 3.853 16.622 937 2HG LYS 45 HGS LYS 45 -11.636 4.485 16.318 938 1HD LYS 45 HDS LYS 45 -11.091 1.840 15.153 939 2HD LYS 45 HDR LYS 45 -10.977 1.901 16.890 940 1HE LYS 45 HES LYS 45 -13.169 1.727 17.021 941 2HE LYS 45 HER LYS 45 -13.282 3.349 16.280 942 1HZ LYS 45 HZA LYS 45 -12.843 1.183 14.453 943 2HZ LYS 45 HZB LYS 45 -14.293 1.157 15.205 944 3HZ LYS 45 HZC LYS 45 -13.847 2.466 14.335 945 H LEU 46 HN LEU 46 -8.923 6.906 13.205 946 HA LEU 46 HA LEU 46 -7.963 8.210 15.616 947 1HB LEU 46 HBR LEU 46 -7.383 8.161 12.699 948 2HB LEU 46 HBS LEU 46 -6.935 9.644 13.589 949 HG LEU 46 HG LEU 46 -6.029 6.886 14.429 950 1HD1 LEU 46 HMD LEU 46 -4.973 8.755 12.345 951 2HD1 LEU 46 HMD LEU 46 -3.809 7.911 13.397 952 3HD1 LEU 46 HMD LEU 46 -4.954 6.975 12.404 953 1HD2 LEU 46 HMD LEU 46 -5.643 9.704 15.263 954 2HD2 LEU 46 HMD LEU 46 -5.565 8.199 16.213 955 3HD2 LEU 46 HMD LEU 46 -4.172 8.699 15.221 956 H ALA 47 HN ALA 47 -9.768 9.261 12.705 957 HA ALA 47 HA ALA 47 -10.116 11.922 13.500 958 1HB ALA 47 HMB ALA 47 -10.606 10.560 11.256 959 2HB ALA 47 HMB ALA 47 -12.268 10.642 11.894 960 3HB ALA 47 HMB ALA 47 -11.347 12.141 11.614 961 H ARG 48 HN ARG 48 -11.832 9.027 14.427 962 HA ARG 48 HA ARG 48 -14.011 10.367 15.810 963 1HB ARG 48 HBR ARG 48 -13.979 7.934 15.069 964 2HB ARG 48 HBS ARG 48 -12.858 7.638 16.428 965 1HG ARG 48 HGS ARG 48 -15.211 7.070 16.959 966 2HG ARG 48 HGR ARG 48 -14.536 8.334 18.026 967 1HD ARG 48 HDS ARG 48 -16.884 8.689 17.166 968 2HD ARG 48 HDR ARG 48 -15.726 10.032 16.949 969 HE ARG 48 HE ARG 48 -15.468 9.059 14.581 970 1HH1 ARG 48 HH1 ARG 48 -18.461 9.213 16.437 971 2HH1 ARG 48 HH1 ARG 48 -19.466 9.050 15.036 972 1HH2 ARG 48 HH2 ARG 48 -16.812 8.716 12.788 973 2HH2 ARG 48 HH2 ARG 48 -18.533 8.768 12.971 974 H HIS 49 HN HIS 49 -10.792 9.079 16.629 975 HA HIS 49 HA HIS 49 -10.716 9.854 19.334 976 1HB HIS 49 HBS HIS 49 -8.935 8.518 17.963 977 2HB HIS 49 HBR HIS 49 -8.268 10.130 17.577 978 HD1 HIS 49 HD1 HIS 49 -7.759 11.654 19.887 979 HD2 HIS 49 HD2 HIS 49 -8.009 7.514 20.273 980 HE1 HIS 49 HE1 HIS 49 -6.523 11.064 21.986 981 HE2 HIS 49 HE2 HIS 49 -6.647 8.558 22.210 982 H ALA 50 HN ALA 50 -10.107 11.692 16.364 983 HA ALA 50 HA ALA 50 -9.392 14.148 17.478 984 1HB ALA 50 HMB ALA 50 -10.264 13.143 14.952 985 2HB ALA 50 HMB ALA 50 -11.164 14.639 15.312 986 3HB ALA 50 HMB ALA 50 -9.382 14.646 15.326 987 H GLY 51 HN GLY 51 -12.647 12.807 16.886 988 1HA GLY 51 HAR GLY 51 -14.521 13.498 18.399 989 2HA GLY 51 HAS GLY 51 -13.818 15.137 18.354 990 H ARG 52 HN ARG 52 -13.868 12.971 15.574 991 HA ARG 52 HA ARG 52 -15.137 12.876 13.655 992 1HB ARG 52 HBR ARG 52 -17.086 14.816 14.927 993 2HB ARG 52 HBS ARG 52 -17.339 13.757 13.510 994 1HG ARG 52 HGS ARG 52 -17.901 11.991 14.779 995 2HG ARG 52 HGR ARG 52 -16.620 12.320 15.980 996 1HD ARG 52 HDS ARG 52 -18.065 13.252 17.354 997 2HD ARG 52 HDR ARG 52 -18.632 14.366 16.078 998 HE ARG 52 HE ARG 52 -19.725 11.703 15.805 999 1HH1 ARG 52 HH1 ARG 52 -20.168 14.921 17.176 1000 2HH1 ARG 52 HH1 ARG 52 -21.833 14.644 17.565 1001 1HH2 ARG 52 HH2 ARG 52 -21.868 11.334 16.446 1002 2HH2 ARG 52 HH2 ARG 52 -22.797 12.616 17.150 1003 H LYS 53 HN LYS 53 -13.626 13.838 12.420 1004 HA LYS 53 HA LYS 53 -14.360 16.437 11.325 1005 1HB LYS 53 HBR LYS 53 -12.091 16.140 13.216 1006 2HB LYS 53 HBS LYS 53 -11.739 16.994 11.687 1007 1HG LYS 53 HGR LYS 53 -12.572 18.851 12.610 1008 2HG LYS 53 HGS LYS 53 -14.179 18.069 12.608 1009 1HD LYS 53 HDS LYS 53 -13.845 17.206 14.815 1010 2HD LYS 53 HDR LYS 53 -12.183 17.727 14.824 1011 1HE LYS 53 HES LYS 53 -12.807 19.603 15.796 1012 2HE LYS 53 HER LYS 53 -13.626 20.041 14.270 1013 1HZ LYS 53 HZA LYS 53 -15.328 18.348 15.510 1014 2HZ LYS 53 HZB LYS 53 -14.752 19.253 16.741 1015 3HZ LYS 53 HZC LYS 53 -15.461 19.975 15.459 1016 H THR 54 HN THR 54 -12.149 17.053 9.935 1017 HA THR 54 HA THR 54 -12.411 15.097 7.844 1018 HB THR 54 HB THR 54 -10.793 17.701 8.002 1019 HG1 THR 54 HG1 THR 54 -13.074 16.874 6.778 1020 1HG2 THR 54 HMG THR 54 -11.014 15.696 5.825 1021 2HG2 THR 54 HMG THR 54 -11.173 17.410 5.365 1022 3HG2 THR 54 HMG THR 54 -9.712 16.848 6.217 1023 H ILE 55 HN ILE 55 -11.120 13.522 7.255 1024 HA ILE 55 HA ILE 55 -8.527 13.051 8.530 1025 HB ILE 55 HB ILE 55 -10.006 11.655 6.247 1026 1HG1 ILE 55 HG1 ILE 55 -9.466 10.499 8.984 1027 2HG1 ILE 55 HG1 ILE 55 -10.818 11.641 8.734 1028 1HG2 ILE 55 HMG ILE 55 -7.311 11.558 6.566 1029 2HG2 ILE 55 HMG ILE 55 -7.832 10.198 7.596 1030 3HG2 ILE 55 HMG ILE 55 -8.306 10.248 5.877 1031 1HD1 ILE 55 HMD ILE 55 -10.600 9.322 6.869 1032 2HD1 ILE 55 HMD ILE 55 -11.120 9.001 8.545 1033 3HD1 ILE 55 HMD ILE 55 -12.041 10.142 7.529 1034 H LYS 56 HN LYS 56 -6.570 13.436 7.680 1035 HA LYS 56 HA LYS 56 -6.385 14.788 5.070 1036 1HB LYS 56 HBR LYS 56 -6.388 16.283 7.472 1037 2HB LYS 56 HBS LYS 56 -4.687 16.177 6.937 1038 1HG LYS 56 HGR LYS 56 -5.549 16.915 4.628 1039 2HG LYS 56 HGS LYS 56 -7.063 17.353 5.469 1040 1HD LYS 56 HDS LYS 56 -5.640 19.284 5.208 1041 2HD LYS 56 HDR LYS 56 -5.940 18.889 6.878 1042 1HE LYS 56 HES LYS 56 -3.605 19.566 6.427 1043 2HE LYS 56 HER LYS 56 -3.782 17.952 7.171 1044 1HZ LYS 56 HZC LYS 56 -3.755 17.253 4.685 1045 2HZ LYS 56 HZA LYS 56 -2.938 18.653 4.489 1046 3HZ LYS 56 HZB LYS 56 -2.361 17.505 5.497 1047 H ALA 57 HN ALA 57 -3.856 15.467 4.951 1048 HA ALA 57 HA ALA 57 -2.366 13.116 4.818 1049 1HB ALA 57 HMB ALA 57 -1.373 15.969 5.073 1050 2HB ALA 57 HMB ALA 57 -0.422 14.572 4.507 1051 3HB ALA 57 HMB ALA 57 -1.830 15.132 3.568 1052 H GLU 58 HN GLU 58 -2.884 15.300 7.497 1053 HA GLU 58 HA GLU 58 -0.755 14.227 9.115 1054 1HB GLU 58 HBR GLU 58 -2.265 16.472 9.047 1055 2HB GLU 58 HBS GLU 58 -3.156 15.589 10.162 1056 1HG GLU 58 HGS GLU 58 -1.056 15.139 11.491 1057 2HG GLU 58 HGR GLU 58 -0.261 16.439 10.562 1058 H ASP 59 HN ASP 59 -4.263 13.699 8.857 1059 HA ASP 59 HA ASP 59 -4.316 11.890 11.068 1060 1HB ASP 59 HBS ASP 59 -6.210 13.241 9.432 1061 2HB ASP 59 HBR ASP 59 -6.620 11.502 9.478 1062 H ILE 60 HN ILE 60 -3.995 11.508 7.593 1063 HA ILE 60 HA ILE 60 -4.052 8.627 7.530 1064 HB ILE 60 HB ILE 60 -2.705 10.708 5.741 1065 1HG1 ILE 60 HG1 ILE 60 -5.152 10.840 5.856 1066 2HG1 ILE 60 HG1 ILE 60 -4.583 10.340 4.237 1067 1HG2 ILE 60 HMG ILE 60 -1.747 8.289 5.744 1068 2HG2 ILE 60 HMG ILE 60 -3.240 7.896 4.851 1069 3HG2 ILE 60 HMG ILE 60 -2.104 9.107 4.200 1070 1HD1 ILE 60 HMD ILE 60 -5.038 7.953 5.653 1071 2HD1 ILE 60 HMD ILE 60 -6.417 9.018 6.035 1072 3HD1 ILE 60 HMD ILE 60 -6.019 8.648 4.336 1073 H GLU 61 HN GLU 61 -1.333 10.969 7.507 1074 HA GLU 61 HA GLU 61 0.689 9.096 7.830 1075 1HB GLU 61 HBR GLU 61 0.363 12.012 8.449 1076 2HB GLU 61 HBS GLU 61 1.718 11.210 9.028 1077 1HG GLU 61 HGS GLU 61 2.705 10.797 7.046 1078 2HG GLU 61 HGR GLU 61 1.190 10.763 6.104 1079 H LEU 62 HN LEU 62 -1.103 10.906 10.329 1080 HA LEU 62 HA LEU 62 0.103 9.790 12.609 1081 1HB LEU 62 HBR LEU 62 -1.359 11.701 12.652 1082 2HB LEU 62 HBS LEU 62 -2.730 10.721 12.060 1083 HG LEU 62 HG LEU 62 -2.564 9.407 14.210 1084 1HD1 LEU 62 HMD LEU 62 -0.272 11.103 14.527 1085 2HD1 LEU 62 HMD LEU 62 -1.457 11.484 15.802 1086 3HD1 LEU 62 HMD LEU 62 -0.872 9.813 15.600 1087 1HD2 LEU 62 HMD LEU 62 -4.219 11.190 13.675 1088 2HD2 LEU 62 HMD LEU 62 -3.841 11.074 15.413 1089 3HD2 LEU 62 HMD LEU 62 -3.130 12.380 14.432 1090 H ALA 63 HN ALA 63 -2.749 8.659 10.765 1091 HA ALA 63 HA ALA 63 -3.216 6.306 12.126 1092 1HB ALA 63 HMB ALA 63 -3.748 7.330 9.405 1093 2HB ALA 63 HMB ALA 63 -3.819 5.559 9.594 1094 3HB ALA 63 HMB ALA 63 -4.844 6.606 10.609 1095 H VAL 64 HN VAL 64 -0.823 6.935 9.586 1096 HA VAL 64 HA VAL 64 -0.376 4.128 9.281 1097 HB VAL 64 HB VAL 64 -0.407 6.285 7.677 1098 1HG1 VAL 64 HMG VAL 64 2.542 5.629 7.923 1099 2HG1 VAL 64 HMG VAL 64 1.800 6.486 6.551 1100 3HG1 VAL 64 HMG VAL 64 1.739 7.196 8.182 1101 1HG2 VAL 64 HMG VAL 64 -0.629 3.774 7.235 1102 2HG2 VAL 64 HMG VAL 64 -0.072 4.830 5.915 1103 3HG2 VAL 64 HMG VAL 64 1.097 3.825 6.805 1104 H ARG 65 HN ARG 65 1.961 6.775 9.937 1105 HA ARG 65 HA ARG 65 4.044 5.180 10.818 1106 1HB ARG 65 HBR ARG 65 4.968 7.100 11.903 1107 2HB ARG 65 HBS ARG 65 4.188 7.613 10.379 1108 1HG ARG 65 HGS ARG 65 3.496 9.287 11.786 1109 2HG ARG 65 HGR ARG 65 2.149 8.129 11.981 1110 1HD ARG 65 HDS ARG 65 2.614 7.789 14.116 1111 2HD ARG 65 HDR ARG 65 4.360 7.599 13.791 1112 HE ARG 65 HE ARG 65 2.967 10.043 14.595 1113 1HH1 ARG 65 HH1 ARG 65 5.842 8.766 13.004 1114 2HH1 ARG 65 HH1 ARG 65 6.853 10.062 13.550 1115 1HH2 ARG 65 HH2 ARG 65 4.348 11.650 15.399 1116 2HH2 ARG 65 HH2 ARG 65 6.009 11.693 14.908 1117 H ARG 66 HN ARG 66 1.126 6.091 12.516 1118 HA ARG 66 HA ARG 66 1.999 4.926 15.046 1119 1HB ARG 66 HBR ARG 66 0.216 6.775 14.667 1120 2HB ARG 66 HBS ARG 66 -0.873 5.414 14.272 1121 1HG ARG 66 HGS ARG 66 0.648 5.755 16.880 1122 2HG ARG 66 HGR ARG 66 -1.074 6.156 16.623 1123 1HD ARG 66 HDS ARG 66 -1.171 3.681 15.752 1124 2HD ARG 66 HDR ARG 66 0.288 3.508 16.767 1125 HE ARG 66 HE ARG 66 -1.040 4.120 18.690 1126 1HH1 ARG 66 HH1 ARG 66 -2.958 3.893 15.741 1127 2HH1 ARG 66 HH1 ARG 66 -4.418 3.507 16.590 1128 1HH2 ARG 66 HH2 ARG 66 -2.939 3.492 19.757 1129 2HH2 ARG 66 HH2 ARG 66 -4.409 3.288 18.863 1130 H PHE 67 HN PHE 67 0.331 3.924 12.124 1131 HA PHE 67 HA PHE 67 -0.715 1.501 12.927 1132 1HB PHE 67 HBR PHE 67 -0.837 2.568 10.581 1133 2HB PHE 67 HBS PHE 67 0.716 1.743 10.262 1134 HD1 PHE 67 HD1 PHE 67 -2.443 0.899 11.987 1135 HD2 PHE 67 HD2 PHE 67 0.404 -0.294 9.049 1136 HE1 PHE 67 HE1 PHE 67 -3.766 -1.122 11.554 1137 HE2 PHE 67 HE2 PHE 67 -0.914 -2.337 8.594 1138 HZ PHE 67 HZ PHE 67 -2.941 -2.800 9.945 1139 H LYS 68 HN LYS 68 2.615 2.162 11.824 1140 HA LYS 68 HA LYS 68 3.404 -0.532 12.839 1141 1HB LYS 68 HBR LYS 68 3.446 0.420 10.200 1142 2HB LYS 68 HBS LYS 68 5.136 0.535 10.769 1143 1HG LYS 68 HGR LYS 68 5.184 -1.616 10.003 1144 2HG LYS 68 HGS LYS 68 4.580 -1.938 11.653 1145 1HD LYS 68 HDS LYS 68 3.069 -3.149 10.525 1146 2HD LYS 68 HDR LYS 68 2.249 -1.613 10.565 1147 1HE LYS 68 HES LYS 68 1.985 -2.338 8.372 1148 2HE LYS 68 HER LYS 68 3.291 -1.121 8.310 1149 1HZ LYS 68 HZA LYS 68 4.865 -2.931 8.332 1150 2HZ LYS 68 HZB LYS 68 3.663 -4.037 8.362 1151 3HZ LYS 68 HZC LYS 68 3.852 -3.072 7.058 1152 H LYS 69 HN LYS 69 5.202 2.247 11.508 1153 HA LYS 69 HA LYS 69 7.018 2.032 13.857 1154 1HB LYS 69 HBR LYS 69 8.649 3.135 12.203 1155 2HB LYS 69 HBS LYS 69 8.248 1.407 11.990 1156 1HG LYS 69 HGR LYS 69 6.512 2.168 10.276 1157 2HG LYS 69 HGS LYS 69 7.284 3.777 10.358 1158 1HD LYS 69 HDS LYS 69 9.325 1.822 10.011 1159 2HD LYS 69 HDR LYS 69 8.049 1.468 8.878 1160 1HE LYS 69 HES LYS 69 8.803 3.043 7.537 1161 2HE LYS 69 HER LYS 69 8.371 4.248 8.783 1162 1HZ LYS 69 HZB LYS 69 10.909 2.786 8.846 1163 2HZ LYS 69 HZC LYS 69 10.742 4.190 8.027 1164 3HZ LYS 69 HZA LYS 69 10.509 4.155 9.643 No H/Q in entry = 1164 Start of MODEL 29 Raw file had 1198 H/Q atoms Start of MODEL 29 1 1H MET 1 HN MET 1 5.384 10.322 -9.998 2 2H MET 1 HNB MET 1 5.448 11.141 -11.409 3 3H MET 1 HNC MET 1 4.882 11.875 -10.064 4 HA MET 1 HA MET 1 2.890 11.406 -10.753 5 1HB MET 1 HBS MET 1 4.201 9.298 -12.502 6 2HB MET 1 HBR MET 1 2.480 9.756 -12.560 7 1HG MET 1 HGS MET 1 4.690 11.828 -12.891 8 2HG MET 1 HGR MET 1 4.129 10.845 -14.262 9 1HE MET 1 HME MET 1 4.174 13.784 -14.110 10 2HE MET 1 HME MET 1 2.593 14.599 -14.195 11 3HE MET 1 HME MET 1 3.378 14.341 -12.617 12 H GLU 2 HN GLU 2 1.622 10.590 -9.272 13 HA GLU 2 HA GLU 2 2.265 7.902 -8.130 14 1HB GLU 2 HBR GLU 2 1.551 8.981 -5.995 15 2HB GLU 2 HBS GLU 2 3.026 9.421 -6.663 16 1HG GLU 2 HGS GLU 2 2.354 11.510 -7.453 17 2HG GLU 2 HGR GLU 2 0.616 11.197 -7.193 18 H LEU 3 HN LEU 3 0.305 7.440 -6.488 19 HA LEU 3 HA LEU 3 -1.699 6.578 -8.310 20 1HB LEU 3 HBR LEU 3 -1.949 6.476 -5.318 21 2HB LEU 3 HBS LEU 3 -2.444 5.273 -6.545 22 HG LEU 3 HG LEU 3 0.376 5.870 -5.610 23 1HD1 LEU 3 HMD LEU 3 -1.655 3.734 -5.057 24 2HD1 LEU 3 HMD LEU 3 0.071 3.294 -5.120 25 3HD1 LEU 3 HMD LEU 3 -0.494 4.522 -3.958 26 1HD2 LEU 3 HMD LEU 3 -0.481 5.021 -8.110 27 2HD2 LEU 3 HMD LEU 3 1.138 4.771 -7.407 28 3HD2 LEU 3 HMD LEU 3 -0.103 3.502 -7.257 29 HA PRO 4 HA PRO 4 -4.568 10.008 -7.936 30 1HB PRO 4 HBR PRO 4 -6.214 8.863 -9.717 31 2HB PRO 4 HBS PRO 4 -5.112 10.029 -10.071 32 1HG PRO 4 HGS PRO 4 -4.985 7.292 -10.627 33 2HG PRO 4 HGR PRO 4 -4.178 8.545 -11.378 34 1HD PRO 4 HDR PRO 4 -3.070 6.835 -9.646 35 2HD PRO 4 HDS PRO 4 -2.420 8.291 -10.084 36 H ILE 5 HN ILE 5 -6.775 10.205 -7.285 37 HA ILE 5 HA ILE 5 -7.266 8.143 -5.281 38 HB ILE 5 HB ILE 5 -8.891 9.790 -4.371 39 1HG1 ILE 5 HG1 ILE 5 -8.146 11.399 -6.842 40 2HG1 ILE 5 HG1 ILE 5 -9.743 10.712 -6.428 41 1HG2 ILE 5 HMG ILE 5 -6.101 10.727 -4.983 42 2HG2 ILE 5 HMG ILE 5 -7.229 11.734 -4.037 43 3HG2 ILE 5 HMG ILE 5 -6.784 10.107 -3.456 44 1HD1 ILE 5 HMD ILE 5 -9.648 12.231 -4.357 45 2HD1 ILE 5 HMD ILE 5 -8.317 13.070 -5.200 46 3HD1 ILE 5 HMD ILE 5 -9.937 12.995 -5.943 47 H ALA 6 HN ALA 6 -7.774 7.446 -8.053 48 HA ALA 6 HA ALA 6 -10.686 7.011 -8.073 49 1HB ALA 6 HMB ALA 6 -8.408 6.541 -9.963 50 2HB ALA 6 HMB ALA 6 -9.904 5.590 -10.139 51 3HB ALA 6 HMB ALA 6 -9.963 7.369 -10.227 52 HA PRO 7 HA PRO 7 -8.955 2.545 -7.423 53 1HB PRO 7 HBS PRO 7 -6.353 2.454 -6.756 54 2HB PRO 7 HBR PRO 7 -6.968 1.997 -8.208 55 1HG PRO 7 HGR PRO 7 -5.513 4.302 -7.571 56 2HG PRO 7 HGS PRO 7 -5.780 3.611 -9.066 57 1HD PRO 7 HDS PRO 7 -6.983 5.832 -8.141 58 2HD PRO 7 HDR PRO 7 -7.460 4.962 -9.464 59 H ILE 8 HN ILE 8 -7.760 5.150 -5.572 60 HA ILE 8 HA ILE 8 -7.749 3.500 -3.137 61 HB ILE 8 HB ILE 8 -6.778 6.348 -3.688 62 1HG1 ILE 8 HG1 ILE 8 -5.186 3.781 -3.322 63 2HG1 ILE 8 HG1 ILE 8 -5.619 4.492 -4.902 64 1HG2 ILE 8 HMG ILE 8 -7.452 5.763 -1.280 65 2HG2 ILE 8 HMG ILE 8 -6.014 4.706 -1.285 66 3HG2 ILE 8 HMG ILE 8 -5.835 6.459 -1.564 67 1HD1 ILE 8 HMD ILE 8 -4.414 6.612 -4.000 68 2HD1 ILE 8 HMD ILE 8 -3.682 5.487 -2.826 69 3HD1 ILE 8 HMD ILE 8 -3.444 5.229 -4.575 70 H GLY 9 HN GLY 9 -9.752 5.751 -4.766 71 1HA GLY 9 HAR GLY 9 -10.933 7.177 -2.721 72 2HA GLY 9 HAS GLY 9 -11.771 6.728 -4.231 73 H ARG 10 HN ARG 10 -11.700 3.897 -3.860 74 HA ARG 10 HA ARG 10 -13.876 3.688 -1.837 75 1HB ARG 10 HBS ARG 10 -13.369 1.533 -3.844 76 2HB ARG 10 HBR ARG 10 -14.893 2.076 -3.081 77 1HG ARG 10 HGS ARG 10 -14.948 4.036 -4.527 78 2HG ARG 10 HGR ARG 10 -13.382 3.572 -5.252 79 1HD ARG 10 HDS ARG 10 -15.117 2.918 -6.736 80 2HD ARG 10 HDR ARG 10 -14.433 1.448 -5.989 81 HE ARG 10 HE ARG 10 -16.546 2.005 -4.370 82 1HH1 ARG 10 HH1 ARG 10 -16.147 1.406 -7.821 83 2HH1 ARG 10 HH1 ARG 10 -17.805 0.960 -8.045 84 1HH2 ARG 10 HH2 ARG 10 -18.735 1.541 -4.727 85 2HH2 ARG 10 HH2 ARG 10 -19.270 1.036 -6.295 86 H ILE 11 HN ILE 11 -10.808 3.551 -1.633 87 HA ILE 11 HA ILE 11 -10.589 0.925 -0.270 88 HB ILE 11 HB ILE 11 -8.563 3.160 -0.756 89 1HG1 ILE 11 HG1 ILE 11 -8.985 0.416 -1.986 90 2HG1 ILE 11 HG1 ILE 11 -9.040 2.012 -2.786 91 1HG2 ILE 11 HMG ILE 11 -8.315 1.814 1.417 92 2HG2 ILE 11 HMG ILE 11 -7.862 0.453 0.355 93 3HG2 ILE 11 HMG ILE 11 -6.901 1.956 0.339 94 1HD1 ILE 11 HMD ILE 11 -6.557 2.204 -2.147 95 2HD1 ILE 11 HMD ILE 11 -6.643 0.450 -1.832 96 3HD1 ILE 11 HMD ILE 11 -7.002 1.083 -3.460 97 H ILE 12 HN ILE 12 -10.719 4.425 0.268 98 HA ILE 12 HA ILE 12 -10.692 3.944 3.209 99 HB ILE 12 HB ILE 12 -10.204 6.667 1.933 100 1HG1 ILE 12 HG1 ILE 12 -8.472 5.407 0.950 101 2HG1 ILE 12 HG1 ILE 12 -7.738 6.251 2.342 102 1HG2 ILE 12 HMG ILE 12 -10.727 6.038 4.492 103 2HG2 ILE 12 HMG ILE 12 -8.949 5.894 4.495 104 3HG2 ILE 12 HMG ILE 12 -9.719 7.421 3.988 105 1HD1 ILE 12 HMD ILE 12 -8.744 3.458 2.730 106 2HD1 ILE 12 HMD ILE 12 -7.225 3.710 1.830 107 3HD1 ILE 12 HMD ILE 12 -7.379 4.307 3.503 108 H LYS 13 HN LYS 13 -12.870 3.237 1.812 109 HA LYS 13 HA LYS 13 -14.771 4.927 3.208 110 1HB LYS 13 HBS LYS 13 -14.484 5.746 0.672 111 2HB LYS 13 HBR LYS 13 -15.597 4.378 0.391 112 1HG LYS 13 HGR LYS 13 -17.328 5.646 1.001 113 2HG LYS 13 HGS LYS 13 -16.587 5.908 2.607 114 1HD LYS 13 HDS LYS 13 -15.311 7.792 1.730 115 2HD LYS 13 HDR LYS 13 -15.979 7.523 0.143 116 1HE LYS 13 HES LYS 13 -18.091 7.778 2.106 117 2HE LYS 13 HER LYS 13 -16.987 9.183 2.104 118 1HZ LYS 13 HZC LYS 13 -17.300 9.183 -0.345 119 2HZ LYS 13 HZA LYS 13 -18.510 8.103 -0.157 120 3HZ LYS 13 HZB LYS 13 -18.629 9.587 0.514 121 H ASP 14 HN ASP 14 -14.119 2.208 1.024 122 HA ASP 14 HA ASP 14 -15.949 0.357 1.775 123 1HB ASP 14 HBS ASP 14 -14.036 0.070 0.231 124 2HB ASP 14 HBR ASP 14 -12.996 -0.146 1.675 125 H ALA 15 HN ALA 15 -13.302 1.607 3.719 126 HA ALA 15 HA ALA 15 -13.465 -0.158 5.996 127 1HB ALA 15 HMB ALA 15 -12.380 2.513 5.244 128 2HB ALA 15 HMB ALA 15 -12.636 2.181 6.977 129 3HB ALA 15 HMB ALA 15 -11.550 1.140 6.021 130 H GLY 16 HN GLY 16 -14.248 3.271 5.912 131 1HA GLY 16 HAR GLY 16 -16.902 3.139 5.403 132 2HA GLY 16 HAS GLY 16 -16.870 3.110 7.188 133 H ALA 17 HN ALA 17 -14.583 4.751 4.999 134 HA ALA 17 HA ALA 17 -14.491 6.968 6.800 135 1HB ALA 17 HMB ALA 17 -12.868 5.853 4.832 136 2HB ALA 17 HMB ALA 17 -13.296 7.461 4.194 137 3HB ALA 17 HMB ALA 17 -12.536 7.312 5.799 138 H GLU 18 HN GLU 18 -15.603 8.770 6.845 139 HA GLU 18 HA GLU 18 -17.386 9.431 4.540 140 1HB GLU 18 HBS GLU 18 -18.393 7.946 6.140 141 2HB GLU 18 HBR GLU 18 -18.044 8.936 7.449 142 1HG GLU 18 HGS GLU 18 -19.481 10.340 5.303 143 2HG GLU 18 HGR GLU 18 -20.426 8.933 5.861 144 H ARG 19 HN ARG 19 -14.905 10.656 5.550 145 HA ARG 19 HA ARG 19 -15.676 13.273 5.014 146 1HB ARG 19 HBR ARG 19 -16.403 12.838 7.587 147 2HB ARG 19 HBS ARG 19 -14.718 13.388 7.819 148 1HG ARG 19 HGS ARG 19 -16.023 15.335 7.991 149 2HG ARG 19 HGR ARG 19 -15.342 15.383 6.341 150 1HD ARG 19 HDS ARG 19 -17.420 15.719 5.661 151 2HD ARG 19 HDR ARG 19 -17.676 13.984 6.001 152 HE ARG 19 HE ARG 19 -18.136 15.225 8.416 153 1HH1 ARG 19 HH1 ARG 19 -19.541 15.280 5.183 154 2HH1 ARG 19 HH1 ARG 19 -21.054 15.916 5.733 155 1HH2 ARG 19 HH2 ARG 19 -20.083 16.177 9.079 156 2HH2 ARG 19 HH2 ARG 19 -21.363 16.422 7.938 157 H VAL 20 HN VAL 20 -13.971 13.581 3.779 158 HA VAL 20 HA VAL 20 -11.293 13.301 4.999 159 HB VAL 20 HB VAL 20 -11.846 12.488 2.144 160 1HG1 VAL 20 HMG VAL 20 -9.437 12.691 3.836 161 2HG1 VAL 20 HMG VAL 20 -9.578 11.191 2.888 162 3HG1 VAL 20 HMG VAL 20 -9.620 12.770 2.067 163 1HG2 VAL 20 HMG VAL 20 -11.623 10.696 4.572 164 2HG2 VAL 20 HMG VAL 20 -13.050 10.933 3.537 165 3HG2 VAL 20 HMG VAL 20 -11.596 10.145 2.880 166 H SER 21 HN SER 21 -9.655 14.565 3.823 167 HA SER 21 HA SER 21 -10.886 17.201 3.326 168 1HB SER 21 HBS SER 21 -9.406 17.032 5.233 169 2HB SER 21 HBR SER 21 -8.078 16.447 4.189 170 HG SER 21 HG SER 21 -9.080 18.981 4.763 171 H ASP 22 HN ASP 22 -10.377 14.947 1.327 172 HA ASP 22 HA ASP 22 -9.616 14.641 -0.788 173 1HB ASP 22 HBR ASP 22 -10.111 16.359 -2.262 174 2HB ASP 22 HBS ASP 22 -11.234 16.550 -0.884 175 H ASP 23 HN ASP 23 -7.596 15.271 1.379 176 HA ASP 23 HA ASP 23 -5.349 15.443 -0.541 177 1HB ASP 23 HBR ASP 23 -5.534 16.942 2.073 178 2HB ASP 23 HBS ASP 23 -4.090 16.824 1.026 179 H ALA 24 HN ALA 24 -6.611 14.318 2.545 180 HA ALA 24 HA ALA 24 -4.484 12.769 3.400 181 1HB ALA 24 HMB ALA 24 -7.364 12.880 3.842 182 2HB ALA 24 HMB ALA 24 -6.705 11.233 4.009 183 3HB ALA 24 HMB ALA 24 -6.030 12.564 4.981 184 H ARG 25 HN ARG 25 -7.074 11.865 1.112 185 HA ARG 25 HA ARG 25 -6.294 9.249 0.633 186 1HB ARG 25 HBS ARG 25 -7.258 9.748 -1.757 187 2HB ARG 25 HBR ARG 25 -8.313 9.724 -0.314 188 1HG ARG 25 HGS ARG 25 -7.275 12.387 -0.750 189 2HG ARG 25 HGR ARG 25 -8.048 11.771 -2.238 190 1HD ARG 25 HDS ARG 25 -9.679 11.031 -0.050 191 2HD ARG 25 HDR ARG 25 -9.244 12.751 0.156 192 HE ARG 25 HE ARG 25 -9.984 12.748 -2.412 193 1HH1 ARG 25 HH1 ARG 25 -11.553 11.511 0.493 194 2HH1 ARG 25 HH1 ARG 25 -13.132 11.528 -0.221 195 1HH2 ARG 25 HH2 ARG 25 -12.043 12.632 -3.353 196 2HH2 ARG 25 HH2 ARG 25 -13.409 12.164 -2.397 197 H ILE 26 HN ILE 26 -5.011 12.245 -0.726 198 HA ILE 26 HA ILE 26 -3.247 10.883 -2.563 199 HB ILE 26 HB ILE 26 -3.287 13.787 -1.604 200 1HG1 ILE 26 HG1 ILE 26 -5.398 12.834 -2.653 201 2HG1 ILE 26 HG1 ILE 26 -4.717 14.305 -3.404 202 1HG2 ILE 26 HMG ILE 26 -1.327 12.483 -3.109 203 2HG2 ILE 26 HMG ILE 26 -2.302 13.394 -4.291 204 3HG2 ILE 26 HMG ILE 26 -1.558 14.240 -2.910 205 1HD1 ILE 26 HMD ILE 26 -4.224 11.507 -4.453 206 2HD1 ILE 26 HMD ILE 26 -5.558 12.555 -5.006 207 3HD1 ILE 26 HMD ILE 26 -3.865 13.061 -5.252 208 H THR 27 HN THR 27 -3.051 12.093 0.725 209 HA THR 27 HA THR 27 -0.229 11.759 1.128 210 HB THR 27 HB THR 27 -2.610 11.614 3.059 211 HG1 THR 27 HG1 THR 27 -2.407 13.408 3.202 212 1HG2 THR 27 HMG THR 27 -0.115 10.566 3.612 213 2HG2 THR 27 HMG THR 27 -0.016 12.226 4.255 214 3HG2 THR 27 HMG THR 27 -1.311 11.132 4.806 215 H LEU 28 HN LEU 28 -3.062 9.616 1.454 216 HA LEU 28 HA LEU 28 -1.613 7.247 2.182 217 1HB LEU 28 HBR LEU 28 -4.205 8.045 2.066 218 2HB LEU 28 HBS LEU 28 -4.101 7.063 0.581 219 HG LEU 28 HG LEU 28 -3.670 5.090 1.774 220 1HD1 LEU 28 HMD LEU 28 -2.026 5.968 3.378 221 2HD1 LEU 28 HMD LEU 28 -3.333 6.792 4.266 222 3HD1 LEU 28 HMD LEU 28 -3.291 5.013 4.191 223 1HD2 LEU 28 HMD LEU 28 -5.978 6.209 1.889 224 2HD2 LEU 28 HMD LEU 28 -5.641 4.885 3.034 225 3HD2 LEU 28 HMD LEU 28 -5.574 6.578 3.585 226 H ALA 29 HN ALA 29 -2.891 8.461 -0.934 227 HA ALA 29 HA ALA 29 -1.823 6.561 -2.579 228 1HB ALA 29 HMB ALA 29 -3.006 9.124 -2.858 229 2HB ALA 29 HMB ALA 29 -1.574 9.073 -3.918 230 3HB ALA 29 HMB ALA 29 -2.841 7.829 -4.072 231 H LYS 30 HN LYS 30 -0.084 8.907 -0.785 232 HA LYS 30 HA LYS 30 2.360 8.493 -2.402 233 1HB LYS 30 HBR LYS 30 1.449 10.786 -1.542 234 2HB LYS 30 HBS LYS 30 2.166 10.277 0.013 235 1HG LYS 30 HGR LYS 30 4.033 9.892 -2.192 236 2HG LYS 30 HGS LYS 30 3.463 11.583 -2.107 237 1HD LYS 30 HDS LYS 30 4.566 10.063 0.255 238 2HD LYS 30 HDR LYS 30 5.547 11.009 -0.832 239 1HE LYS 30 HES LYS 30 5.016 12.305 1.128 240 2HE LYS 30 HER LYS 30 4.260 13.011 -0.328 241 1HZ LYS 30 HZC LYS 30 2.802 11.185 1.436 242 2HZ LYS 30 HZA LYS 30 2.849 12.793 1.720 243 3HZ LYS 30 HZB LYS 30 2.200 12.229 0.332 244 H ILE 31 HN ILE 31 1.009 8.017 0.839 245 HA ILE 31 HA ILE 31 3.326 6.798 2.031 246 HB ILE 31 HB ILE 31 0.344 6.873 2.598 247 1HG1 ILE 31 HG1 ILE 31 2.704 7.767 4.283 248 2HG1 ILE 31 HG1 ILE 31 1.945 8.780 3.020 249 1HG2 ILE 31 HMG ILE 31 2.292 4.965 3.792 250 2HG2 ILE 31 HMG ILE 31 1.156 5.796 4.888 251 3HG2 ILE 31 HMG ILE 31 0.534 4.820 3.532 252 1HD1 ILE 31 HMD ILE 31 -0.248 8.127 4.431 253 2HD1 ILE 31 HMD ILE 31 0.970 8.035 5.731 254 3HD1 ILE 31 HMD ILE 31 0.764 9.546 4.806 255 H LEU 32 HN LEU 32 0.265 5.222 1.051 256 HA LEU 32 HA LEU 32 1.224 2.683 1.262 257 1HB LEU 32 HBS LEU 32 -1.135 3.943 0.659 258 2HB LEU 32 HBR LEU 32 -0.809 3.029 -0.842 259 HG LEU 32 HG LEU 32 -0.573 1.512 1.694 260 1HD1 LEU 32 HMD LEU 32 -2.909 3.102 1.100 261 2HD1 LEU 32 HMD LEU 32 -3.293 1.369 0.963 262 3HD1 LEU 32 HMD LEU 32 -2.601 2.011 2.474 263 1HD2 LEU 32 HMD LEU 32 -0.687 1.054 -1.053 264 2HD2 LEU 32 HMD LEU 32 -0.808 -0.169 0.238 265 3HD2 LEU 32 HMD LEU 32 -2.287 0.543 -0.457 266 H GLU 33 HN GLU 33 1.311 4.744 -1.614 267 HA GLU 33 HA GLU 33 2.377 2.797 -3.416 268 1HB GLU 33 HBR GLU 33 1.301 5.030 -3.885 269 2HB GLU 33 HBS GLU 33 2.668 5.768 -3.250 270 1HG GLU 33 HGS GLU 33 3.597 3.914 -5.196 271 2HG GLU 33 HGR GLU 33 2.377 4.950 -5.986 272 H GLU 34 HN GLU 34 3.923 5.327 -1.400 273 HA GLU 34 HA GLU 34 6.591 4.680 -1.972 274 1HB GLU 34 HBS GLU 34 5.741 6.638 -0.888 275 2HB GLU 34 HBR GLU 34 5.224 5.807 0.475 276 1HG GLU 34 HGS GLU 34 7.275 6.866 1.076 277 2HG GLU 34 HGR GLU 34 7.772 5.169 0.844 278 H MET 35 HN MET 35 4.225 2.970 -0.131 279 HA MET 35 HA MET 35 6.175 1.198 1.157 280 1HB MET 35 HBS MET 35 3.286 1.644 1.290 281 2HB MET 35 HBR MET 35 3.732 -0.085 1.234 282 1HG MET 35 HGS MET 35 5.324 0.290 3.117 283 2HG MET 35 HGR MET 35 4.822 1.997 3.170 284 1HE MET 35 HME MET 35 2.405 2.486 2.755 285 2HE MET 35 HME MET 35 1.078 1.300 2.839 286 3HE MET 35 HME MET 35 1.490 2.278 4.269 287 H GLY 36 HN GLY 36 3.951 1.215 -1.617 288 1HA GLY 36 HAR GLY 36 4.218 -1.540 -2.239 289 2HA GLY 36 HAS GLY 36 3.585 -0.275 -3.328 290 H ARG 37 HN ARG 37 5.800 1.381 -3.558 291 HA ARG 37 HA ARG 37 7.577 0.001 -5.378 292 1HB ARG 37 HBS ARG 37 7.133 2.386 -5.619 293 2HB ARG 37 HBR ARG 37 7.817 2.695 -3.996 294 1HG ARG 37 HGS ARG 37 9.866 1.363 -5.288 295 2HG ARG 37 HGR ARG 37 9.155 2.362 -6.587 296 1HD ARG 37 HDS ARG 37 10.133 4.154 -5.775 297 2HD ARG 37 HDR ARG 37 9.306 3.919 -4.210 298 HE ARG 37 HE ARG 37 11.994 2.871 -4.925 299 1HH1 ARG 37 HH1 ARG 37 9.469 3.347 -2.511 300 2HH1 ARG 37 HH1 ARG 37 10.568 3.224 -1.179 301 1HH2 ARG 37 HH2 ARG 37 13.419 2.840 -3.162 302 2HH2 ARG 37 HH2 ARG 37 12.803 2.933 -1.546 303 H ASP 38 HN ASP 38 7.355 0.463 -1.957 304 HA ASP 38 HA ASP 38 10.102 -0.054 -1.412 305 1HB ASP 38 HBS ASP 38 7.845 0.770 0.043 306 2HB ASP 38 HBR ASP 38 8.467 -0.706 0.839 307 H ILE 39 HN ILE 39 7.199 -2.117 -1.098 308 HA ILE 39 HA ILE 39 8.592 -4.422 -0.229 309 HB ILE 39 HB ILE 39 5.963 -4.306 -1.789 310 1HG1 ILE 39 HG1 ILE 39 6.180 -4.303 1.227 311 2HG1 ILE 39 HG1 ILE 39 6.273 -2.783 0.295 312 1HG2 ILE 39 HMG ILE 39 6.908 -6.563 -1.555 313 2HG2 ILE 39 HMG ILE 39 6.938 -6.353 0.217 314 3HG2 ILE 39 HMG ILE 39 5.382 -6.363 -0.654 315 1HD1 ILE 39 HMD ILE 39 3.992 -4.624 -0.264 316 2HD1 ILE 39 HMD ILE 39 3.982 -3.715 1.270 317 3HD1 ILE 39 HMD ILE 39 4.066 -2.842 -0.283 318 H ALA 40 HN ALA 40 8.287 -2.952 -3.342 319 HA ALA 40 HA ALA 40 8.380 -5.309 -4.991 320 1HB ALA 40 HMB ALA 40 8.547 -2.380 -5.349 321 2HB ALA 40 HMB ALA 40 9.421 -3.358 -6.556 322 3HB ALA 40 HMB ALA 40 7.678 -3.623 -6.288 323 H SER 41 HN SER 41 10.877 -2.767 -4.632 324 HA SER 41 HA SER 41 13.014 -4.336 -5.460 325 1HB SER 41 HBR SER 41 13.265 -1.976 -5.382 326 2HB SER 41 HBS SER 41 12.957 -1.936 -3.622 327 HG SER 41 HG SER 41 15.250 -2.353 -5.115 328 H GLU 42 HN GLU 42 11.284 -4.498 -2.517 329 HA GLU 42 HA GLU 42 13.332 -5.961 -1.063 330 1HB GLU 42 HBS GLU 42 10.423 -5.396 -0.816 331 2HB GLU 42 HBR GLU 42 11.086 -6.536 0.221 332 1HG GLU 42 HGR GLU 42 11.469 -3.524 0.113 333 2HG GLU 42 HGS GLU 42 11.250 -4.610 1.512 334 H ALA 43 HN ALA 43 10.090 -6.954 -2.254 335 HA ALA 43 HA ALA 43 10.571 -9.683 -2.387 336 1HB ALA 43 HMB ALA 43 8.425 -8.218 -2.786 337 2HB ALA 43 HMB ALA 43 8.882 -8.402 -4.498 338 3HB ALA 43 HMB ALA 43 8.583 -9.846 -3.496 339 H ILE 44 HN ILE 44 11.920 -7.209 -4.329 340 HA ILE 44 HA ILE 44 12.708 -9.041 -6.449 341 HB ILE 44 HB ILE 44 13.292 -6.095 -5.887 342 1HG1 ILE 44 HG1 ILE 44 11.611 -7.247 -8.123 343 2HG1 ILE 44 HG1 ILE 44 10.941 -6.998 -6.486 344 1HG2 ILE 44 HMG ILE 44 14.276 -7.870 -8.090 345 2HG2 ILE 44 HMG ILE 44 13.915 -6.155 -8.419 346 3HG2 ILE 44 HMG ILE 44 15.124 -6.590 -7.183 347 1HD1 ILE 44 HMD ILE 44 11.766 -4.571 -6.735 348 2HD1 ILE 44 HMD ILE 44 11.919 -4.948 -8.471 349 3HD1 ILE 44 HMD ILE 44 10.330 -5.071 -7.669 350 H LYS 45 HN LYS 45 14.492 -6.991 -4.106 351 HA LYS 45 HA LYS 45 16.996 -8.188 -4.561 352 1HB LYS 45 HBS LYS 45 16.639 -6.005 -3.432 353 2HB LYS 45 HBR LYS 45 16.033 -6.881 -1.996 354 1HG LYS 45 HGR LYS 45 18.253 -6.452 -1.431 355 2HG LYS 45 HGS LYS 45 18.334 -8.114 -2.086 356 1HD LYS 45 HDS LYS 45 18.679 -6.411 -4.287 357 2HD LYS 45 HDR LYS 45 19.598 -5.684 -2.998 358 1HE LYS 45 HES LYS 45 20.077 -8.505 -2.972 359 2HE LYS 45 HER LYS 45 20.320 -7.850 -4.616 360 1HZ LYS 45 HZB LYS 45 21.730 -6.154 -3.586 361 2HZ LYS 45 HZC LYS 45 21.597 -6.910 -2.144 362 3HZ LYS 45 HZA LYS 45 22.322 -7.665 -3.397 363 H LEU 46 HN LEU 46 14.257 -9.325 -2.828 364 HA LEU 46 HA LEU 46 15.766 -11.356 -1.352 365 1HB LEU 46 HBS LEU 46 12.787 -10.972 -1.769 366 2HB LEU 46 HBR LEU 46 13.580 -12.030 -0.566 367 HG LEU 46 HG LEU 46 14.139 -9.093 -0.496 368 1HD1 LEU 46 HMD LEU 46 11.529 -9.925 -0.570 369 2HD1 LEU 46 HMD LEU 46 11.888 -10.008 1.173 370 3HD1 LEU 46 HMD LEU 46 12.119 -8.479 0.287 371 1HD2 LEU 46 HMD LEU 46 14.832 -11.357 0.963 372 2HD2 LEU 46 HMD LEU 46 15.025 -9.662 1.478 373 3HD2 LEU 46 HMD LEU 46 13.571 -10.578 1.953 374 H ALA 47 HN ALA 47 14.366 -10.915 -4.463 375 HA ALA 47 HA ALA 47 13.505 -13.635 -4.844 376 1HB ALA 47 HMB ALA 47 13.032 -11.143 -6.020 377 2HB ALA 47 HMB ALA 47 13.819 -12.115 -7.290 378 3HB ALA 47 HMB ALA 47 12.343 -12.717 -6.492 379 H ARG 48 HN ARG 48 16.415 -11.816 -5.518 380 HA ARG 48 HA ARG 48 17.320 -13.741 -7.541 381 1HB ARG 48 HBR ARG 48 18.620 -11.197 -6.512 382 2HB ARG 48 HBS ARG 48 19.162 -12.184 -7.899 383 1HG ARG 48 HGS ARG 48 16.588 -10.589 -7.676 384 2HG ARG 48 HGR ARG 48 17.999 -10.230 -8.712 385 1HD ARG 48 HDS ARG 48 17.235 -11.544 -10.302 386 2HD ARG 48 HDR ARG 48 17.097 -12.913 -9.163 387 HE ARG 48 HE ARG 48 14.958 -10.856 -9.376 388 1HH1 ARG 48 HH1 ARG 48 16.014 -14.188 -9.823 389 2HH1 ARG 48 HH1 ARG 48 14.412 -14.834 -9.672 390 1HH2 ARG 48 HH2 ARG 48 12.876 -11.732 -9.193 391 2HH2 ARG 48 HH2 ARG 48 12.629 -13.435 -9.388 392 H HIS 49 HN HIS 49 17.692 -13.125 -4.186 393 HA HIS 49 HA HIS 49 20.082 -14.804 -3.896 394 1HB HIS 49 HBS HIS 49 18.551 -13.125 -2.108 395 2HB HIS 49 HBR HIS 49 18.599 -14.793 -1.467 396 HD1 HIS 49 HD1 HIS 49 20.261 -12.152 -0.386 397 HD2 HIS 49 HD2 HIS 49 21.720 -15.329 -2.651 398 HE1 HIS 49 HE1 HIS 49 22.751 -12.134 -0.107 399 HE2 HIS 49 HE2 HIS 49 23.642 -14.039 -1.495 400 H ALA 50 HN ALA 50 16.730 -15.156 -4.466 401 HA ALA 50 HA ALA 50 16.185 -17.677 -3.439 402 1HB ALA 50 HMB ALA 50 14.671 -16.085 -4.726 403 2HB ALA 50 HMB ALA 50 15.353 -16.805 -6.207 404 3HB ALA 50 HMB ALA 50 14.475 -17.828 -5.041 405 H GLY 51 HN GLY 51 17.817 -16.847 -6.504 406 1HA GLY 51 HAR GLY 51 19.476 -18.519 -7.345 407 2HA GLY 51 HAS GLY 51 18.248 -19.767 -7.009 408 H ARG 52 HN ARG 52 17.295 -16.622 -8.210 409 HA ARG 52 HA ARG 52 16.911 -15.734 -10.295 410 1HB ARG 52 HBR ARG 52 19.145 -16.922 -10.836 411 2HB ARG 52 HBS ARG 52 18.118 -18.165 -11.607 412 1HG ARG 52 HGS ARG 52 17.231 -16.559 -13.163 413 2HG ARG 52 HGR ARG 52 18.046 -15.215 -12.315 414 1HD ARG 52 HDS ARG 52 19.115 -16.072 -14.445 415 2HD ARG 52 HDR ARG 52 20.161 -15.911 -13.005 416 HE ARG 52 HE ARG 52 19.243 -18.426 -14.252 417 1HH1 ARG 52 HH1 ARG 52 20.820 -16.895 -11.494 418 2HH1 ARG 52 HH1 ARG 52 21.784 -18.288 -11.134 419 1HH2 ARG 52 HH2 ARG 52 20.621 -20.178 -13.834 420 2HH2 ARG 52 HH2 ARG 52 21.674 -20.145 -12.459 421 H LYS 53 HN LYS 53 14.983 -15.679 -11.154 422 HA LYS 53 HA LYS 53 13.800 -17.613 -12.648 423 1HB LYS 53 HBR LYS 53 13.489 -18.377 -9.934 424 2HB LYS 53 HBS LYS 53 11.897 -17.798 -10.500 425 1HG LYS 53 HGR LYS 53 13.464 -19.722 -12.206 426 2HG LYS 53 HGS LYS 53 12.583 -20.330 -10.775 427 1HD LYS 53 HDS LYS 53 10.706 -20.364 -11.895 428 2HD LYS 53 HDR LYS 53 10.805 -18.636 -12.096 429 1HE LYS 53 HES LYS 53 10.639 -19.277 -14.272 430 2HE LYS 53 HER LYS 53 12.413 -19.211 -14.065 431 1HZ LYS 53 HZA LYS 53 11.743 -21.713 -13.328 432 2HZ LYS 53 HZB LYS 53 10.749 -21.442 -14.596 433 3HZ LYS 53 HZC LYS 53 12.364 -21.282 -14.775 434 H THR 54 HN THR 54 12.009 -16.057 -9.999 435 HA THR 54 HA THR 54 10.996 -13.879 -11.688 436 HB THR 54 HB THR 54 9.368 -16.413 -11.097 437 HG1 THR 54 HG1 THR 54 9.148 -16.435 -13.102 438 1HG2 THR 54 HMG THR 54 8.443 -13.684 -11.966 439 2HG2 THR 54 HMG THR 54 7.573 -15.159 -12.461 440 3HG2 THR 54 HMG THR 54 7.761 -14.771 -10.731 441 H ILE 55 HN ILE 55 9.350 -12.635 -10.607 442 HA ILE 55 HA ILE 55 9.392 -12.844 -7.649 443 HB ILE 55 HB ILE 55 8.153 -10.691 -9.433 444 1HG1 ILE 55 HG1 ILE 55 10.661 -11.006 -9.632 445 2HG1 ILE 55 HG1 ILE 55 10.096 -9.374 -9.177 446 1HG2 ILE 55 HMG ILE 55 8.435 -11.008 -6.473 447 2HG2 ILE 55 HMG ILE 55 8.506 -9.376 -7.191 448 3HG2 ILE 55 HMG ILE 55 7.066 -10.398 -7.441 449 1HD1 ILE 55 HMD ILE 55 10.757 -11.194 -6.930 450 2HD1 ILE 55 HMD ILE 55 12.124 -10.668 -7.949 451 3HD1 ILE 55 HMD ILE 55 11.091 -9.454 -7.148 452 H LYS 56 HN LYS 56 7.631 -13.391 -6.496 453 HA LYS 56 HA LYS 56 5.142 -14.179 -7.889 454 1HB LYS 56 HBR LYS 56 6.552 -16.281 -6.289 455 2HB LYS 56 HBS LYS 56 5.356 -16.438 -7.607 456 1HG LYS 56 HGR LYS 56 7.032 -15.923 -9.271 457 2HG LYS 56 HGS LYS 56 8.236 -15.544 -8.005 458 1HD LYS 56 HDS LYS 56 7.994 -17.920 -7.211 459 2HD LYS 56 HDR LYS 56 7.025 -18.226 -8.626 460 1HE LYS 56 HES LYS 56 9.585 -16.932 -9.227 461 2HE LYS 56 HER LYS 56 9.707 -18.551 -8.482 462 1HZ LYS 56 HZB LYS 56 7.810 -18.216 -10.635 463 2HZ LYS 56 HZC LYS 56 9.392 -18.212 -11.043 464 3HZ LYS 56 HZA LYS 56 8.753 -19.497 -10.261 465 H ALA 57 HN ALA 57 3.985 -15.733 -6.087 466 HA ALA 57 HA ALA 57 3.027 -13.760 -4.305 467 1HB ALA 57 HMB ALA 57 2.308 -16.398 -5.167 468 2HB ALA 57 HMB ALA 57 2.186 -16.302 -3.391 469 3HB ALA 57 HMB ALA 57 1.301 -15.138 -4.410 470 H GLU 58 HN GLU 58 5.436 -16.267 -3.959 471 HA GLU 58 HA GLU 58 5.732 -15.773 -1.081 472 1HB GLU 58 HBR GLU 58 6.857 -17.574 -3.178 473 2HB GLU 58 HBS GLU 58 7.849 -17.193 -1.879 474 1HG GLU 58 HGS GLU 58 5.296 -17.809 -0.784 475 2HG GLU 58 HGR GLU 58 5.781 -19.178 -1.820 476 H ASP 59 HN ASP 59 6.223 -13.714 -3.328 477 HA ASP 59 HA ASP 59 8.831 -12.834 -2.224 478 1HB ASP 59 HBR ASP 59 7.572 -12.228 -4.896 479 2HB ASP 59 HBS ASP 59 9.026 -11.419 -4.247 480 H ILE 60 HN ILE 60 5.535 -11.847 -3.041 481 HA ILE 60 HA ILE 60 5.795 -9.552 -1.177 482 HB ILE 60 HB ILE 60 3.656 -10.417 -3.167 483 1HG1 ILE 60 HG1 ILE 60 4.073 -7.964 -3.878 484 2HG1 ILE 60 HG1 ILE 60 5.528 -8.067 -2.847 485 1HG2 ILE 60 HMG ILE 60 2.466 -9.705 -1.138 486 2HG2 ILE 60 HMG ILE 60 3.362 -8.164 -1.167 487 3HG2 ILE 60 HMG ILE 60 2.244 -8.571 -2.495 488 1HD1 ILE 60 HMD ILE 60 6.327 -9.972 -4.191 489 2HD1 ILE 60 HMD ILE 60 4.889 -9.826 -5.235 490 3HD1 ILE 60 HMD ILE 60 6.088 -8.506 -5.178 491 H GLU 61 HN GLU 61 5.834 -12.631 -0.738 492 HA GLU 61 HA GLU 61 4.199 -12.366 1.730 493 1HB GLU 61 HBR GLU 61 4.684 -14.837 0.052 494 2HB GLU 61 HBS GLU 61 4.211 -14.876 1.661 495 1HG GLU 61 HGS GLU 61 2.463 -13.057 0.329 496 2HG GLU 61 HGR GLU 61 2.413 -14.612 -0.546 497 H LEU 62 HN LEU 62 6.780 -11.400 1.320 498 HA LEU 62 HA LEU 62 8.355 -12.753 3.245 499 1HB LEU 62 HBS LEU 62 8.364 -14.288 1.144 500 2HB LEU 62 HBR LEU 62 9.506 -13.083 0.483 501 HG LEU 62 HG LEU 62 11.112 -13.558 2.173 502 1HD1 LEU 62 HMD LEU 62 9.518 -13.871 4.045 503 2HD1 LEU 62 HMD LEU 62 9.075 -15.462 3.375 504 3HD1 LEU 62 HMD LEU 62 10.736 -15.167 3.953 505 1HD2 LEU 62 HMD LEU 62 9.857 -15.710 0.581 506 2HD2 LEU 62 HMD LEU 62 11.548 -15.148 0.630 507 3HD2 LEU 62 HMD LEU 62 10.944 -16.265 1.880 508 H ALA 63 HN ALA 63 8.144 -10.598 0.463 509 HA ALA 63 HA ALA 63 10.228 -8.840 1.431 510 1HB ALA 63 HMB ALA 63 9.390 -9.160 -0.969 511 2HB ALA 63 HMB ALA 63 8.029 -8.108 -0.500 512 3HB ALA 63 HMB ALA 63 9.701 -7.496 -0.409 513 H VAL 64 HN VAL 64 6.928 -9.363 2.205 514 HA VAL 64 HA VAL 64 6.523 -6.532 2.806 515 HB VAL 64 HB VAL 64 5.214 -8.307 1.272 516 1HG1 VAL 64 HMG VAL 64 3.746 -8.388 3.897 517 2HG1 VAL 64 HMG VAL 64 2.868 -8.473 2.351 518 3HG1 VAL 64 HMG VAL 64 4.106 -9.691 2.738 519 1HG2 VAL 64 HMG VAL 64 5.039 -5.656 1.829 520 2HG2 VAL 64 HMG VAL 64 4.024 -6.538 0.664 521 3HG2 VAL 64 HMG VAL 64 3.417 -6.214 2.305 522 H ARG 65 HN ARG 65 5.443 -9.607 4.308 523 HA ARG 65 HA ARG 65 4.870 -8.439 6.865 524 1HB ARG 65 HBS ARG 65 4.766 -10.683 7.702 525 2HB ARG 65 HBR ARG 65 3.952 -10.608 6.111 526 1HG ARG 65 HGS ARG 65 5.369 -12.086 5.181 527 2HG ARG 65 HGR ARG 65 6.797 -11.378 5.988 528 1HD ARG 65 HDS ARG 65 6.815 -13.092 7.367 529 2HD ARG 65 HDR ARG 65 5.240 -12.547 8.010 530 HE ARG 65 HE ARG 65 5.185 -14.207 5.583 531 1HH1 ARG 65 HH1 ARG 65 4.532 -13.851 9.029 532 2HH1 ARG 65 HH1 ARG 65 3.742 -15.387 9.149 533 1HH2 ARG 65 HH2 ARG 65 4.261 -16.265 5.806 534 2HH2 ARG 65 HH2 ARG 65 3.586 -16.753 7.326 535 H ARG 66 HN ARG 66 7.767 -9.526 5.266 536 HA ARG 66 HA ARG 66 9.465 -9.190 7.641 537 1HB ARG 66 HBS ARG 66 10.179 -9.330 4.694 538 2HB ARG 66 HBR ARG 66 11.325 -9.315 6.065 539 1HG ARG 66 HGS ARG 66 9.223 -11.465 5.833 540 2HG ARG 66 HGR ARG 66 10.749 -11.570 4.911 541 1HD ARG 66 HDS ARG 66 11.535 -10.864 7.472 542 2HD ARG 66 HDR ARG 66 10.216 -12.043 7.719 543 HE ARG 66 HE ARG 66 11.637 -13.382 5.941 544 1HH1 ARG 66 HH1 ARG 66 12.695 -11.631 8.813 545 2HH1 ARG 66 HH1 ARG 66 14.195 -12.490 8.917 546 1HH2 ARG 66 HH2 ARG 66 13.667 -14.387 6.029 547 2HH2 ARG 66 HH2 ARG 66 14.746 -14.050 7.343 548 H PHE 67 HN PHE 67 8.952 -7.493 4.526 549 HA PHE 67 HA PHE 67 9.647 -5.473 3.768 550 1HB PHE 67 HBR PHE 67 8.579 -4.738 6.295 551 2HB PHE 67 HBS PHE 67 10.186 -3.966 6.187 552 HD1 PHE 67 HD2 PHE 67 10.643 -2.403 4.195 553 HD2 PHE 67 HD1 PHE 67 6.821 -4.124 4.963 554 HE1 PHE 67 HE2 PHE 67 9.622 -0.853 2.561 555 HE2 PHE 67 HE1 PHE 67 5.786 -2.596 3.347 556 HZ PHE 67 HZ PHE 67 7.166 -0.884 2.228 557 H LYS 68 HN LYS 68 11.434 -7.147 3.522 558 HA LYS 68 HA LYS 68 13.699 -7.410 3.229 559 1HB LYS 68 HBR LYS 68 13.836 -4.889 3.145 560 2HB LYS 68 HBS LYS 68 14.143 -4.924 4.905 561 1HG LYS 68 HGR LYS 68 15.916 -6.775 3.569 562 2HG LYS 68 HGS LYS 68 16.024 -5.168 2.796 563 1HD LYS 68 HDS LYS 68 15.980 -4.819 5.628 564 2HD LYS 68 HDR LYS 68 17.130 -6.073 5.253 565 1HE LYS 68 HES LYS 68 18.432 -4.689 3.886 566 2HE LYS 68 HER LYS 68 17.132 -3.470 3.771 567 1HZ LYS 68 HZB LYS 68 18.064 -4.050 6.422 568 2HZ LYS 68 HZC LYS 68 19.154 -3.308 5.457 569 3HZ LYS 68 HZA LYS 68 17.700 -2.616 5.731 570 H LYS 69 HN LYS 69 14.224 -9.162 4.295 571 HA LYS 69 HA LYS 69 14.200 -9.558 7.129 572 1HB LYS 69 HBS LYS 69 15.975 -11.321 6.538 573 2HB LYS 69 HBR LYS 69 14.318 -11.524 5.899 574 1HG LYS 69 HGR LYS 69 15.043 -11.494 3.778 575 2HG LYS 69 HGS LYS 69 16.013 -10.019 4.057 576 1HD LYS 69 HDS LYS 69 17.863 -11.180 3.954 577 2HD LYS 69 HDR LYS 69 17.371 -12.059 5.375 578 1HE LYS 69 HES LYS 69 16.935 -13.927 4.254 579 2HE LYS 69 HER LYS 69 16.065 -13.038 2.972 580 1HZ LYS 69 HZB LYS 69 18.389 -12.353 2.267 581 2HZ LYS 69 HZC LYS 69 18.923 -13.598 3.180 582 3HZ LYS 69 HZA LYS 69 17.911 -13.878 1.930 583 1H MET 1 HNC MET 1 -6.804 -6.175 -6.262 584 2H MET 1 HN MET 1 -7.991 -6.968 -5.467 585 3H MET 1 HNB MET 1 -7.032 -7.772 -6.518 586 HA MET 1 HA MET 1 -8.007 -7.006 -8.346 587 1HB MET 1 HBS MET 1 -9.600 -8.313 -6.909 588 2HB MET 1 HBR MET 1 -10.277 -6.756 -6.352 589 1HG MET 1 HGS MET 1 -10.678 -6.188 -8.810 590 2HG MET 1 HGR MET 1 -10.247 -7.876 -9.175 591 1HE MET 1 HME MET 1 -12.205 -8.895 -9.988 592 2HE MET 1 HME MET 1 -11.910 -9.974 -8.601 593 3HE MET 1 HME MET 1 -13.569 -9.451 -8.986 594 H GLU 2 HN GLU 2 -8.732 -4.886 -5.580 595 HA GLU 2 HA GLU 2 -9.924 -2.820 -7.038 596 1HB GLU 2 HBR GLU 2 -8.408 -2.877 -4.425 597 2HB GLU 2 HBS GLU 2 -9.124 -1.486 -5.032 598 1HG GLU 2 HGS GLU 2 -11.144 -3.403 -5.271 599 2HG GLU 2 HGR GLU 2 -10.504 -3.631 -3.621 600 H LEU 3 HN LEU 3 -6.519 -3.245 -6.045 601 HA LEU 3 HA LEU 3 -5.701 -1.021 -7.767 602 1HB LEU 3 HBR LEU 3 -3.765 -2.856 -6.431 603 2HB LEU 3 HBS LEU 3 -3.741 -1.080 -6.608 604 HG LEU 3 HG LEU 3 -5.309 -2.709 -4.594 605 1HD1 LEU 3 HMD LEU 3 -3.063 -0.682 -4.339 606 2HD1 LEU 3 HMD LEU 3 -3.939 -1.441 -2.986 607 3HD1 LEU 3 HMD LEU 3 -2.940 -2.439 -4.071 608 1HD2 LEU 3 HMD LEU 3 -5.985 -0.262 -5.795 609 2HD2 LEU 3 HMD LEU 3 -6.661 -0.960 -4.301 610 3HD2 LEU 3 HMD LEU 3 -5.281 0.165 -4.216 611 HA PRO 4 HA PRO 4 -5.319 -3.798 -11.247 612 1HB PRO 4 HBR PRO 4 -4.739 -1.683 -12.838 613 2HB PRO 4 HBS PRO 4 -6.191 -2.443 -12.739 614 1HG PRO 4 HGS PRO 4 -5.450 0.019 -11.661 615 2HG PRO 4 HGR PRO 4 -6.985 -0.562 -11.965 616 1HD PRO 4 HDS PRO 4 -5.917 -0.355 -9.536 617 2HD PRO 4 HDR PRO 4 -7.192 -1.339 -9.915 618 H ILE 5 HN ILE 5 -3.691 -4.729 -12.336 619 HA ILE 5 HA ILE 5 -1.031 -4.037 -11.423 620 HB ILE 5 HB ILE 5 -0.337 -5.943 -12.897 621 1HG1 ILE 5 HG1 ILE 5 -2.972 -7.002 -13.479 622 2HG1 ILE 5 HG1 ILE 5 -2.797 -5.367 -14.174 623 1HG2 ILE 5 HMG ILE 5 -1.554 -6.087 -10.495 624 2HG2 ILE 5 HMG ILE 5 -2.638 -7.123 -11.463 625 3HG2 ILE 5 HMG ILE 5 -0.896 -7.496 -11.370 626 1HD1 ILE 5 HMD ILE 5 -0.503 -6.326 -15.043 627 2HD1 ILE 5 HMD ILE 5 -1.324 -7.894 -14.819 628 3HD1 ILE 5 HMD ILE 5 -2.027 -6.666 -15.905 629 H ALA 6 HN ALA 6 -1.315 -1.785 -12.295 630 HA ALA 6 HA ALA 6 0.153 -1.579 -14.777 631 1HB ALA 6 HMB ALA 6 -2.725 -1.176 -14.806 632 2HB ALA 6 HMB ALA 6 -1.847 0.313 -15.234 633 3HB ALA 6 HMB ALA 6 -1.556 -1.187 -16.151 634 HA PRO 7 HA PRO 7 -0.204 2.552 -12.276 635 1HB PRO 7 HBR PRO 7 -1.815 2.421 -10.139 636 2HB PRO 7 HBS PRO 7 -2.173 3.206 -11.535 637 1HG PRO 7 HGS PRO 7 -3.199 0.790 -10.598 638 2HG PRO 7 HGR PRO 7 -3.840 1.812 -11.750 639 1HD PRO 7 HDS PRO 7 -2.599 -0.523 -12.253 640 2HD PRO 7 HDR PRO 7 -2.961 0.635 -13.376 641 H ILE 8 HN ILE 8 -0.542 -0.394 -10.525 642 HA ILE 8 HA ILE 8 1.519 0.277 -8.588 643 HB ILE 8 HB ILE 8 0.214 -2.377 -9.367 644 1HG1 ILE 8 HG1 ILE 8 -0.306 -0.396 -7.120 645 2HG1 ILE 8 HG1 ILE 8 -1.387 -0.818 -8.480 646 1HG2 ILE 8 HMG ILE 8 2.009 -1.747 -7.013 647 2HG2 ILE 8 HMG ILE 8 1.086 -3.258 -7.243 648 3HG2 ILE 8 HMG ILE 8 2.382 -2.820 -8.388 649 1HD1 ILE 8 HMD ILE 8 -0.514 -2.823 -6.390 650 2HD1 ILE 8 HMD ILE 8 -1.975 -1.813 -6.228 651 3HD1 ILE 8 HMD ILE 8 -1.834 -2.965 -7.581 652 H GLY 9 HN GLY 9 1.409 -0.736 -11.860 653 1HA GLY 9 HAR GLY 9 3.439 -2.616 -12.012 654 2HA GLY 9 HAS GLY 9 2.957 -1.550 -13.359 655 H ARG 10 HN ARG 10 3.685 0.927 -12.495 656 HA ARG 10 HA ARG 10 6.561 0.798 -12.988 657 1HB ARG 10 HBR ARG 10 4.674 3.144 -12.598 658 2HB ARG 10 HBS ARG 10 6.414 3.270 -12.992 659 1HG ARG 10 HGS ARG 10 5.980 2.020 -15.099 660 2HG ARG 10 HGR ARG 10 4.236 2.042 -14.714 661 1HD ARG 10 HDS ARG 10 4.011 4.115 -15.439 662 2HD ARG 10 HDR ARG 10 5.424 4.672 -14.499 663 HE ARG 10 HE ARG 10 5.378 3.864 -17.309 664 1HH1 ARG 10 HH1 ARG 10 7.269 4.858 -14.505 665 2HH1 ARG 10 HH1 ARG 10 8.730 5.035 -15.417 666 1HH2 ARG 10 HH2 ARG 10 7.337 3.981 -18.443 667 2HH2 ARG 10 HH2 ARG 10 8.769 4.541 -17.646 668 H ILE 11 HN ILE 11 4.422 1.088 -10.294 669 HA ILE 11 HA ILE 11 6.300 2.150 -8.366 670 HB ILE 11 HB ILE 11 3.950 0.248 -7.913 671 1HG1 ILE 11 HG1 ILE 11 3.988 3.282 -8.130 672 2HG1 ILE 11 HG1 ILE 11 3.187 2.127 -9.233 673 1HG2 ILE 11 HMG ILE 11 5.440 0.493 -5.989 674 2HG2 ILE 11 HMG ILE 11 5.230 2.262 -6.053 675 3HG2 ILE 11 HMG ILE 11 3.837 1.212 -5.686 676 1HD1 ILE 11 HMD ILE 11 2.115 1.534 -6.733 677 2HD1 ILE 11 HMD ILE 11 2.235 3.314 -6.751 678 3HD1 ILE 11 HMD ILE 11 1.337 2.468 -8.039 679 H ILE 12 HN ILE 12 5.493 -1.039 -9.689 680 HA ILE 12 HA ILE 12 7.701 -2.224 -8.078 681 HB ILE 12 HB ILE 12 5.563 -3.813 -9.563 682 1HG1 ILE 12 HG1 ILE 12 4.274 -2.550 -8.047 683 2HG1 ILE 12 HG1 ILE 12 4.497 -4.150 -7.286 684 1HG2 ILE 12 HMG ILE 12 7.946 -4.512 -8.177 685 2HG2 ILE 12 HMG ILE 12 6.553 -5.138 -7.255 686 3HG2 ILE 12 HMG ILE 12 6.752 -5.569 -8.975 687 1HD1 ILE 12 HMD ILE 12 6.248 -1.784 -6.602 688 2HD1 ILE 12 HMD ILE 12 4.695 -2.099 -5.785 689 3HD1 ILE 12 HMD ILE 12 6.010 -3.301 -5.694 690 H LYS 13 HN LYS 13 8.318 -0.507 -10.076 691 HA LYS 13 HA LYS 13 9.867 -2.340 -11.728 692 1HB LYS 13 HBR LYS 13 7.841 -0.465 -12.912 693 2HB LYS 13 HBS LYS 13 9.410 -0.692 -13.735 694 1HG LYS 13 HGR LYS 13 8.472 -3.288 -13.107 695 2HG LYS 13 HGS LYS 13 7.064 -2.390 -13.742 696 1HD LYS 13 HDS LYS 13 9.698 -2.316 -15.174 697 2HD LYS 13 HDR LYS 13 8.650 -3.700 -15.324 698 1HE LYS 13 HES LYS 13 7.337 -2.678 -16.773 699 2HE LYS 13 HER LYS 13 7.117 -1.301 -15.656 700 1HZ LYS 13 HZC LYS 13 9.471 -0.725 -16.499 701 2HZ LYS 13 HZA LYS 13 9.062 -1.642 -17.787 702 3HZ LYS 13 HZB LYS 13 8.166 -0.333 -17.398 703 H ASP 14 HN ASP 14 8.967 1.025 -10.962 704 HA ASP 14 HA ASP 14 11.364 2.241 -11.309 705 1HB ASP 14 HBS ASP 14 9.296 3.371 -10.672 706 2HB ASP 14 HBR ASP 14 9.483 2.742 -9.008 707 H ALA 15 HN ALA 15 10.405 0.240 -8.565 708 HA ALA 15 HA ALA 15 12.719 0.236 -7.067 709 1HB ALA 15 HMB ALA 15 10.691 -1.862 -7.748 710 2HB ALA 15 HMB ALA 15 12.135 -2.301 -6.801 711 3HB ALA 15 HMB ALA 15 11.021 -1.047 -6.197 712 H GLY 16 HN GLY 16 12.064 -1.636 -10.028 713 1HA GLY 16 HAR GLY 16 14.057 -2.164 -11.450 714 2HA GLY 16 HAS GLY 16 14.871 -2.672 -9.946 715 H ALA 17 HN ALA 17 11.505 -3.346 -10.059 716 HA ALA 17 HA ALA 17 11.727 -6.138 -10.155 717 1HB ALA 17 HMB ALA 17 9.661 -4.161 -9.998 718 2HB ALA 17 HMB ALA 17 9.189 -5.409 -11.180 719 3HB ALA 17 HMB ALA 17 9.627 -5.876 -9.517 720 H GLU 18 HN GLU 18 12.066 -7.538 -11.706 721 HA GLU 18 HA GLU 18 12.302 -6.672 -14.456 722 1HB GLU 18 HBR GLU 18 12.722 -9.182 -12.865 723 2HB GLU 18 HBS GLU 18 12.586 -9.287 -14.535 724 1HG GLU 18 HGS GLU 18 14.448 -7.205 -13.571 725 2HG GLU 18 HGR GLU 18 15.029 -8.885 -13.420 726 H ARG 19 HN ARG 19 10.670 -9.608 -13.237 727 HA ARG 19 HA ARG 19 8.329 -9.074 -14.967 728 1HB ARG 19 HBR ARG 19 10.038 -11.567 -15.232 729 2HB ARG 19 HBS ARG 19 8.553 -11.163 -16.140 730 1HG ARG 19 HGS ARG 19 10.093 -9.018 -16.753 731 2HG ARG 19 HGR ARG 19 11.353 -10.265 -16.538 732 1HD ARG 19 HDS ARG 19 10.214 -11.710 -18.115 733 2HD ARG 19 HDR ARG 19 8.918 -10.496 -18.308 734 HE ARG 19 HE ARG 19 11.433 -10.521 -19.652 735 1HH1 ARG 19 HH1 ARG 19 8.930 -8.394 -18.373 736 2HH1 ARG 19 HH1 ARG 19 9.475 -7.025 -19.284 737 1HH2 ARG 19 HH2 ARG 19 12.195 -8.678 -20.727 738 2HH2 ARG 19 HH2 ARG 19 11.322 -7.186 -20.617 739 H VAL 20 HN VAL 20 6.519 -10.199 -14.415 740 HA VAL 20 HA VAL 20 6.672 -11.367 -11.695 741 HB VAL 20 HB VAL 20 4.311 -9.975 -12.959 742 1HG1 VAL 20 HMG VAL 20 4.882 -11.127 -10.313 743 2HG1 VAL 20 HMG VAL 20 4.185 -9.490 -10.276 744 3HG1 VAL 20 HMG VAL 20 3.332 -10.803 -11.124 745 1HG2 VAL 20 HMG VAL 20 6.722 -8.804 -11.628 746 2HG2 VAL 20 HMG VAL 20 5.802 -8.235 -13.041 747 3HG2 VAL 20 HMG VAL 20 5.131 -8.039 -11.404 748 H SER 21 HN SER 21 4.744 -12.739 -11.122 749 HA SER 21 HA SER 21 4.493 -14.777 -13.274 750 1HB SER 21 HBS SER 21 5.969 -14.833 -10.887 751 2HB SER 21 HBR SER 21 4.558 -15.894 -10.614 752 HG SER 21 HG SER 21 5.029 -16.705 -12.869 753 H ASP 22 HN ASP 22 3.104 -16.650 -11.731 754 HA ASP 22 HA ASP 22 0.389 -15.708 -11.744 755 1HB ASP 22 HBS ASP 22 1.780 -18.223 -11.134 756 2HB ASP 22 HBR ASP 22 0.277 -17.929 -10.214 757 H ASP 23 HN ASP 23 0.140 -13.922 -10.565 758 HA ASP 23 HA ASP 23 -0.160 -12.601 -8.759 759 1HB ASP 23 HBS ASP 23 0.056 -15.118 -7.108 760 2HB ASP 23 HBR ASP 23 -0.669 -13.552 -6.638 761 H ALA 24 HN ALA 24 1.151 -11.170 -8.018 762 HA ALA 24 HA ALA 24 2.922 -11.681 -5.956 763 1HB ALA 24 HMB ALA 24 4.171 -12.369 -8.347 764 2HB ALA 24 HMB ALA 24 4.796 -10.744 -7.970 765 3HB ALA 24 HMB ALA 24 4.951 -12.057 -6.776 766 H ARG 25 HN ARG 25 2.676 -9.610 -8.865 767 HA ARG 25 HA ARG 25 2.781 -7.139 -7.299 768 1HB ARG 25 HBR ARG 25 3.484 -7.462 -9.769 769 2HB ARG 25 HBS ARG 25 1.732 -7.386 -10.116 770 1HG ARG 25 HGS ARG 25 1.568 -5.158 -9.404 771 2HG ARG 25 HGR ARG 25 3.125 -5.224 -8.529 772 1HD ARG 25 HDS ARG 25 3.071 -3.966 -10.728 773 2HD ARG 25 HDR ARG 25 4.364 -5.177 -10.502 774 HE ARG 25 HE ARG 25 1.887 -5.855 -11.998 775 1HH1 ARG 25 HH1 ARG 25 5.363 -5.269 -11.996 776 2HH1 ARG 25 HH1 ARG 25 5.628 -6.183 -13.443 777 1HH2 ARG 25 HH2 ARG 25 2.288 -7.141 -13.820 778 2HH2 ARG 25 HH2 ARG 25 3.888 -7.238 -14.479 779 H ILE 26 HN ILE 26 0.425 -9.416 -8.554 780 HA ILE 26 HA ILE 26 -1.906 -7.809 -7.831 781 HB ILE 26 HB ILE 26 -1.556 -10.768 -8.515 782 1HG1 ILE 26 HG1 ILE 26 -2.855 -8.597 -10.190 783 2HG1 ILE 26 HG1 ILE 26 -1.104 -8.946 -10.257 784 1HG2 ILE 26 HMG ILE 26 -3.950 -9.230 -7.647 785 2HG2 ILE 26 HMG ILE 26 -4.150 -10.419 -8.961 786 3HG2 ILE 26 HMG ILE 26 -3.511 -10.937 -7.379 787 1HD1 ILE 26 HMD ILE 26 -1.913 -11.403 -10.704 788 2HD1 ILE 26 HMD ILE 26 -3.427 -10.595 -11.198 789 3HD1 ILE 26 HMD ILE 26 -1.894 -10.198 -12.020 790 H THR 27 HN THR 27 0.170 -10.296 -6.410 791 HA THR 27 HA THR 27 -1.238 -10.608 -3.930 792 HB THR 27 HB THR 27 1.741 -10.911 -4.612 793 HG1 THR 27 HG1 THR 27 -0.345 -12.591 -4.151 794 1HG2 THR 27 HMG THR 27 0.516 -10.891 -2.039 795 2HG2 THR 27 HMG THR 27 1.009 -12.563 -2.415 796 3HG2 THR 27 HMG THR 27 2.206 -11.243 -2.482 797 H LEU 28 HN LEU 28 1.434 -8.484 -4.991 798 HA LEU 28 HA LEU 28 1.610 -6.884 -2.716 799 1HB LEU 28 HBR LEU 28 2.803 -7.092 -5.138 800 2HB LEU 28 HBS LEU 28 1.846 -5.614 -5.401 801 HG LEU 28 HG LEU 28 3.197 -4.331 -4.148 802 1HD1 LEU 28 HMD LEU 28 3.351 -6.664 -2.320 803 2HD1 LEU 28 HMD LEU 28 4.800 -5.629 -2.401 804 3HD1 LEU 28 HMD LEU 28 3.223 -4.922 -1.971 805 1HD2 LEU 28 HMD LEU 28 4.437 -5.969 -5.843 806 2HD2 LEU 28 HMD LEU 28 5.298 -4.739 -4.880 807 3HD2 LEU 28 HMD LEU 28 5.288 -6.441 -4.349 808 H ALA 29 HN ALA 29 -0.360 -6.285 -5.648 809 HA ALA 29 HA ALA 29 -1.861 -4.183 -4.723 810 1HB ALA 29 HMB ALA 29 -1.993 -6.071 -6.860 811 2HB ALA 29 HMB ALA 29 -3.629 -5.854 -6.188 812 3HB ALA 29 HMB ALA 29 -2.701 -4.439 -6.747 813 H LYS 30 HN LYS 30 -1.954 -7.450 -3.633 814 HA LYS 30 HA LYS 30 -4.653 -7.198 -2.511 815 1HB LYS 30 HBR LYS 30 -3.701 -9.264 -3.703 816 2HB LYS 30 HBS LYS 30 -2.776 -9.545 -2.201 817 1HG LYS 30 HGR LYS 30 -5.636 -9.049 -1.727 818 2HG LYS 30 HGS LYS 30 -5.325 -10.484 -2.745 819 1HD LYS 30 HDS LYS 30 -3.581 -11.110 -0.953 820 2HD LYS 30 HDR LYS 30 -4.375 -9.919 0.040 821 1HE LYS 30 HES LYS 30 -6.235 -11.795 -1.227 822 2HE LYS 30 HER LYS 30 -5.062 -12.534 -0.101 823 1HZ LYS 30 HZB LYS 30 -5.756 -10.741 1.466 824 2HZ LYS 30 HZC LYS 30 -7.003 -10.412 0.463 825 3HZ LYS 30 HZA LYS 30 -6.884 -11.882 1.165 826 H ILE 31 HN ILE 31 -1.288 -7.333 -1.463 827 HA ILE 31 HA ILE 31 -1.837 -7.069 1.381 828 HB ILE 31 HB ILE 31 0.546 -6.573 -0.442 829 1HG1 ILE 31 HG1 ILE 31 1.553 -8.282 1.137 830 2HG1 ILE 31 HG1 ILE 31 -0.079 -8.468 1.842 831 1HG2 ILE 31 HMG ILE 31 0.485 -4.771 1.326 832 2HG2 ILE 31 HMG ILE 31 0.668 -6.072 2.532 833 3HG2 ILE 31 HMG ILE 31 1.932 -5.812 1.302 834 1HD1 ILE 31 HMD ILE 31 0.641 -8.949 -1.067 835 2HD1 ILE 31 HMD ILE 31 0.444 -10.216 0.173 836 3HD1 ILE 31 HMD ILE 31 -0.950 -9.211 -0.305 837 H LEU 32 HN LEU 32 -0.529 -4.679 -0.935 838 HA LEU 32 HA LEU 32 -0.841 -2.576 0.726 839 1HB LEU 32 HBR LEU 32 -0.507 -2.964 -2.199 840 2HB LEU 32 HBS LEU 32 -0.925 -1.316 -1.654 841 HG LEU 32 HG LEU 32 1.211 -2.306 -0.027 842 1HD1 LEU 32 HMD LEU 32 1.294 -3.509 -2.542 843 2HD1 LEU 32 HMD LEU 32 2.381 -2.105 -2.687 844 3HD1 LEU 32 HMD LEU 32 2.651 -3.312 -1.404 845 1HD2 LEU 32 HMD LEU 32 0.505 -0.066 -1.809 846 2HD2 LEU 32 HMD LEU 32 1.292 -0.065 -0.211 847 3HD2 LEU 32 HMD LEU 32 2.252 -0.385 -1.677 848 H GLU 33 HN GLU 33 -3.361 -4.067 -1.081 849 HA GLU 33 HA GLU 33 -5.194 -1.818 -0.831 850 1HB GLU 33 HBR GLU 33 -5.137 -3.397 -2.715 851 2HB GLU 33 HBS GLU 33 -5.384 -4.680 -1.661 852 1HG GLU 33 HGS GLU 33 -7.513 -2.921 -1.128 853 2HG GLU 33 HGR GLU 33 -7.475 -3.098 -2.903 854 H GLU 34 HN GLU 34 -4.347 -4.682 0.984 855 HA GLU 34 HA GLU 34 -6.634 -4.361 2.846 856 1HB GLU 34 HBR GLU 34 -5.025 -6.473 1.985 857 2HB GLU 34 HBS GLU 34 -4.359 -6.060 3.468 858 1HG GLU 34 HGS GLU 34 -6.025 -7.833 3.730 859 2HG GLU 34 HGR GLU 34 -6.414 -6.415 4.739 860 H MET 35 HN MET 35 -3.398 -3.321 2.269 861 HA MET 35 HA MET 35 -3.125 -2.295 5.041 862 1HB MET 35 HBS MET 35 -1.226 -2.929 2.871 863 2HB MET 35 HBR MET 35 -0.914 -1.396 3.735 864 1HG MET 35 HGS MET 35 -1.148 -2.722 5.910 865 2HG MET 35 HGR MET 35 -1.142 -4.191 4.904 866 1HE MET 35 HME MET 35 0.583 -5.114 5.925 867 2HE MET 35 HME MET 35 2.237 -5.027 5.268 868 3HE MET 35 HME MET 35 1.826 -4.154 6.765 869 H GLY 36 HN GLY 36 -5.032 -1.501 2.778 870 1HA GLY 36 HAR GLY 36 -4.403 1.409 2.837 871 2HA GLY 36 HAS GLY 36 -5.028 0.658 1.344 872 H ARG 37 HN ARG 37 -6.796 -1.208 2.489 873 HA ARG 37 HA ARG 37 -9.117 0.315 3.280 874 1HB ARG 37 HBR ARG 37 -8.934 -2.076 2.225 875 2HB ARG 37 HBS ARG 37 -8.738 -2.597 3.923 876 1HG ARG 37 HGS ARG 37 -11.002 -0.772 3.515 877 2HG ARG 37 HGR ARG 37 -11.132 -2.290 2.583 878 1HD ARG 37 HDS ARG 37 -10.674 -3.550 4.650 879 2HD ARG 37 HDR ARG 37 -10.670 -2.009 5.553 880 HE ARG 37 HE ARG 37 -13.075 -2.726 3.988 881 1HH1 ARG 37 HH1 ARG 37 -11.498 -2.659 7.141 882 2HH1 ARG 37 HH1 ARG 37 -12.993 -2.548 8.007 883 1HH2 ARG 37 HH2 ARG 37 -15.002 -2.452 5.150 884 2HH2 ARG 37 HH2 ARG 37 -14.977 -2.433 6.882 885 H ASP 38 HN ASP 38 -6.283 -0.848 4.845 886 HA ASP 38 HA ASP 38 -7.612 -1.124 7.428 887 1HB ASP 38 HBS ASP 38 -6.160 -2.894 6.709 888 2HB ASP 38 HBR ASP 38 -4.782 -1.760 6.595 889 H ILE 39 HN ILE 39 -5.402 1.043 5.800 890 HA ILE 39 HA ILE 39 -4.661 2.606 8.130 891 HB ILE 39 HB ILE 39 -4.809 3.522 5.220 892 1HG1 ILE 39 HG1 ILE 39 -2.660 1.925 6.655 893 2HG1 ILE 39 HG1 ILE 39 -3.581 1.473 5.193 894 1HG2 ILE 39 HMG ILE 39 -3.903 4.741 7.671 895 2HG2 ILE 39 HMG ILE 39 -2.570 4.611 6.493 896 3HG2 ILE 39 HMG ILE 39 -4.081 5.443 6.041 897 1HD1 ILE 39 HMD ILE 39 -2.466 3.419 4.029 898 2HD1 ILE 39 HMD ILE 39 -1.410 3.564 5.460 899 3HD1 ILE 39 HMD ILE 39 -1.395 2.069 4.487 900 H ALA 40 HN ALA 40 -7.370 2.397 5.906 901 HA ALA 40 HA ALA 40 -8.360 5.013 6.167 902 1HB ALA 40 HMB ALA 40 -8.985 3.173 4.498 903 2HB ALA 40 HMB ALA 40 -10.124 2.603 5.744 904 3HB ALA 40 HMB ALA 40 -10.280 4.249 5.081 905 H SER 41 HN SER 41 -9.549 2.037 7.785 906 HA SER 41 HA SER 41 -11.368 3.468 9.522 907 1HB SER 41 HBS SER 41 -10.238 0.680 9.863 908 2HB SER 41 HBR SER 41 -11.689 1.374 10.643 909 HG SER 41 HG SER 41 -11.124 0.527 7.954 910 H GLU 42 HN GLU 42 -7.987 2.890 9.447 911 HA GLU 42 HA GLU 42 -7.519 3.331 12.270 912 1HB GLU 42 HBR GLU 42 -5.955 3.108 9.740 913 2HB GLU 42 HBS GLU 42 -5.259 3.983 10.990 914 1HG GLU 42 HGS GLU 42 -5.998 1.092 11.042 915 2HG GLU 42 HGR GLU 42 -4.392 1.785 11.393 916 H ALA 43 HN ALA 43 -7.157 5.321 9.307 917 HA ALA 43 HA ALA 43 -6.634 7.750 10.706 918 1HB ALA 43 HMB ALA 43 -6.182 7.110 8.253 919 2HB ALA 43 HMB ALA 43 -7.875 7.591 7.965 920 3HB ALA 43 HMB ALA 43 -6.710 8.773 8.617 921 H ILE 44 HN ILE 44 -9.580 6.162 9.574 922 HA ILE 44 HA ILE 44 -11.454 8.191 10.331 923 HB ILE 44 HB ILE 44 -11.642 5.151 10.102 924 1HG1 ILE 44 HG1 ILE 44 -12.989 7.100 8.256 925 2HG1 ILE 44 HG1 ILE 44 -11.221 6.875 8.131 926 1HG2 ILE 44 HMG ILE 44 -13.590 7.037 11.190 927 2HG2 ILE 44 HMG ILE 44 -14.217 6.081 9.821 928 3HG2 ILE 44 HMG ILE 44 -13.544 5.255 11.251 929 1HD1 ILE 44 HMD ILE 44 -12.325 4.286 8.237 930 2HD1 ILE 44 HMD ILE 44 -13.359 5.221 7.124 931 3HD1 ILE 44 HMD ILE 44 -11.603 5.114 6.831 932 H LYS 45 HN LYS 45 -10.387 5.219 12.038 933 HA LYS 45 HA LYS 45 -11.619 5.780 14.463 934 1HB LYS 45 HBR LYS 45 -10.625 3.601 13.878 935 2HB LYS 45 HBS LYS 45 -8.994 4.305 14.066 936 1HG LYS 45 HGR LYS 45 -9.079 4.247 16.340 937 2HG LYS 45 HGS LYS 45 -10.830 4.605 16.392 938 1HD LYS 45 HDS LYS 45 -9.988 1.954 15.341 939 2HD LYS 45 HDR LYS 45 -9.768 2.250 17.043 940 1HE LYS 45 HES LYS 45 -11.862 1.458 17.177 941 2HE LYS 45 HER LYS 45 -12.259 3.162 16.821 942 1HZ LYS 45 HZB LYS 45 -11.961 2.132 14.395 943 2HZ LYS 45 HZC LYS 45 -12.573 0.837 15.181 944 3HZ LYS 45 HZA LYS 45 -13.396 2.248 15.166 945 H LEU 46 HN LEU 46 -8.725 7.132 13.098 946 HA LEU 46 HA LEU 46 -7.532 7.919 15.648 947 1HB LEU 46 HBR LEU 46 -6.881 8.038 12.741 948 2HB LEU 46 HBS LEU 46 -6.121 9.249 13.813 949 HG LEU 46 HG LEU 46 -5.950 6.357 14.556 950 1HD1 LEU 46 HMD LEU 46 -5.355 6.426 12.161 951 2HD1 LEU 46 HMD LEU 46 -4.183 7.723 12.499 952 3HD1 LEU 46 HMD LEU 46 -3.939 6.101 13.194 953 1HD2 LEU 46 HMD LEU 46 -4.269 8.864 14.822 954 2HD2 LEU 46 HMD LEU 46 -5.104 7.952 16.106 955 3HD2 LEU 46 HMD LEU 46 -3.688 7.244 15.287 956 H ALA 47 HN ALA 47 -9.304 9.427 12.957 957 HA ALA 47 HA ALA 47 -9.165 12.059 13.766 958 1HB ALA 47 HMB ALA 47 -10.974 10.442 12.087 959 2HB ALA 47 HMB ALA 47 -11.656 11.972 12.692 960 3HB ALA 47 HMB ALA 47 -10.142 11.981 11.751 961 H ARG 48 HN ARG 48 -11.558 9.601 14.742 962 HA ARG 48 HA ARG 48 -13.016 11.562 16.340 963 1HB ARG 48 HBR ARG 48 -13.772 9.348 14.914 964 2HB ARG 48 HBS ARG 48 -13.757 8.720 16.587 965 1HG ARG 48 HGS ARG 48 -15.410 10.231 17.294 966 2HG ARG 48 HGR ARG 48 -15.187 11.282 15.866 967 1HD ARG 48 HDS ARG 48 -16.123 8.435 15.634 968 2HD ARG 48 HDR ARG 48 -17.248 9.786 15.950 969 HE ARG 48 HE ARG 48 -15.960 10.702 13.783 970 1HH1 ARG 48 HH1 ARG 48 -16.988 7.386 14.400 971 2HH1 ARG 48 HH1 ARG 48 -17.437 7.103 12.752 972 1HH2 ARG 48 HH2 ARG 48 -16.679 10.336 11.664 973 2HH2 ARG 48 HH2 ARG 48 -17.261 8.771 11.203 974 H HIS 49 HN HIS 49 -10.671 9.025 16.797 975 HA HIS 49 HA HIS 49 -10.907 8.781 19.666 976 1HB HIS 49 HBS HIS 49 -9.623 7.129 18.298 977 2HB HIS 49 HBR HIS 49 -8.415 8.399 17.949 978 HD1 HIS 49 HD1 HIS 49 -9.389 5.908 20.559 979 HD2 HIS 49 HD2 HIS 49 -6.997 9.306 20.269 980 HE1 HIS 49 HE1 HIS 49 -8.008 5.980 22.648 981 HE2 HIS 49 HE2 HIS 49 -6.575 8.046 22.490 982 H ALA 50 HN ALA 50 -9.022 10.811 17.424 983 HA ALA 50 HA ALA 50 -7.822 12.501 19.429 984 1HB ALA 50 HMB ALA 50 -7.626 12.210 16.698 985 2HB ALA 50 HMB ALA 50 -8.501 13.753 16.872 986 3HB ALA 50 HMB ALA 50 -6.924 13.529 17.670 987 H GLY 51 HN GLY 51 -10.817 12.612 17.487 988 1HA GLY 51 HAR GLY 51 -12.903 13.534 18.079 989 2HA GLY 51 HAS GLY 51 -12.180 14.200 19.567 990 H ARG 52 HN ARG 52 -11.095 14.441 16.173 991 HA ARG 52 HA ARG 52 -11.268 17.409 16.382 992 1HB ARG 52 HBR ARG 52 -8.948 15.983 16.714 993 2HB ARG 52 HBS ARG 52 -8.929 16.321 14.959 994 1HG ARG 52 HGS ARG 52 -9.052 18.694 15.353 995 2HG ARG 52 HGR ARG 52 -9.285 18.436 17.106 996 1HD ARG 52 HDS ARG 52 -6.871 17.340 15.722 997 2HD ARG 52 HDR ARG 52 -6.949 19.066 16.170 998 HE ARG 52 HE ARG 52 -7.539 18.045 18.514 999 1HH1 ARG 52 HH1 ARG 52 -5.058 17.038 16.219 1000 2HH1 ARG 52 HH1 ARG 52 -4.124 16.216 17.424 1001 1HH2 ARG 52 HH2 ARG 52 -6.357 16.851 20.035 1002 2HH2 ARG 52 HH2 ARG 52 -4.858 16.110 19.583 1003 H LYS 53 HN LYS 53 -10.019 17.988 13.998 1004 HA LYS 53 HA LYS 53 -12.328 17.982 12.399 1005 1HB LYS 53 HBR LYS 53 -9.504 18.892 12.055 1006 2HB LYS 53 HBS LYS 53 -10.510 18.721 10.588 1007 1HG LYS 53 HGR LYS 53 -10.825 20.957 11.191 1008 2HG LYS 53 HGS LYS 53 -12.253 20.145 11.894 1009 1HD LYS 53 HDS LYS 53 -11.438 20.265 14.060 1010 2HD LYS 53 HDR LYS 53 -9.793 20.496 13.536 1011 1HE LYS 53 HES LYS 53 -11.634 22.621 12.681 1012 2HE LYS 53 HER LYS 53 -11.393 22.461 14.443 1013 1HZ LYS 53 HZC LYS 53 -9.115 22.506 12.615 1014 2HZ LYS 53 HZA LYS 53 -9.797 23.899 13.128 1015 3HZ LYS 53 HZB LYS 53 -9.157 22.855 14.210 1016 H THR 54 HN THR 54 -11.711 17.620 9.825 1017 HA THR 54 HA THR 54 -12.309 14.903 9.624 1018 HB THR 54 HB THR 54 -12.926 16.933 8.068 1019 HG1 THR 54 HG1 THR 54 -12.169 14.507 7.119 1020 1HG2 THR 54 HMG THR 54 -10.418 17.165 7.341 1021 2HG2 THR 54 HMG THR 54 -10.842 15.859 6.204 1022 3HG2 THR 54 HMG THR 54 -11.744 17.396 6.173 1023 H ILE 55 HN ILE 55 -11.257 13.330 8.121 1024 HA ILE 55 HA ILE 55 -8.650 12.687 8.808 1025 HB ILE 55 HB ILE 55 -10.087 11.950 6.210 1026 1HG1 ILE 55 HG1 ILE 55 -11.581 11.514 8.005 1027 2HG1 ILE 55 HG1 ILE 55 -10.872 9.947 7.521 1028 1HG2 ILE 55 HMG ILE 55 -7.571 11.402 6.550 1029 2HG2 ILE 55 HMG ILE 55 -8.179 10.154 7.672 1030 3HG2 ILE 55 HMG ILE 55 -8.684 10.138 5.961 1031 1HD1 ILE 55 HMD ILE 55 -9.275 11.108 9.609 1032 2HD1 ILE 55 HMD ILE 55 -10.989 11.099 10.103 1033 3HD1 ILE 55 HMD ILE 55 -10.197 9.581 9.604 1034 H LYS 56 HN LYS 56 -6.659 13.067 8.056 1035 HA LYS 56 HA LYS 56 -6.160 14.800 5.751 1036 1HB LYS 56 HBR LYS 56 -5.868 15.805 8.599 1037 2HB LYS 56 HBS LYS 56 -5.070 16.542 7.181 1038 1HG LYS 56 HGR LYS 56 -7.280 16.998 6.180 1039 2HG LYS 56 HGS LYS 56 -8.072 16.275 7.609 1040 1HD LYS 56 HDS LYS 56 -7.336 17.983 9.036 1041 2HD LYS 56 HDR LYS 56 -6.155 18.552 7.889 1042 1HE LYS 56 HES LYS 56 -8.133 19.111 6.356 1043 2HE LYS 56 HER LYS 56 -9.123 18.906 7.828 1044 1HZ LYS 56 HZC LYS 56 -7.513 20.519 8.847 1045 2HZ LYS 56 HZA LYS 56 -7.002 20.862 7.335 1046 3HZ LYS 56 HZB LYS 56 -8.557 21.134 7.751 1047 H ALA 57 HN ALA 57 -3.743 15.684 6.159 1048 HA ALA 57 HA ALA 57 -2.211 13.391 5.710 1049 1HB ALA 57 HMB ALA 57 -1.717 15.633 4.825 1050 2HB ALA 57 HMB ALA 57 -1.227 16.159 6.455 1051 3HB ALA 57 HMB ALA 57 -0.307 14.885 5.616 1052 H GLU 58 HN GLU 58 -3.081 14.903 8.668 1053 HA GLU 58 HA GLU 58 -0.886 13.507 10.144 1054 1HB GLU 58 HBR GLU 58 -1.539 15.072 11.971 1055 2HB GLU 58 HBS GLU 58 -0.725 15.690 10.641 1056 1HG GLU 58 HGS GLU 58 -2.338 17.313 11.088 1057 2HG GLU 58 HGR GLU 58 -2.913 16.507 9.603 1058 H ASP 59 HN ASP 59 -3.608 12.659 8.956 1059 HA ASP 59 HA ASP 59 -4.232 11.075 11.374 1060 1HB ASP 59 HBS ASP 59 -6.122 12.606 9.711 1061 2HB ASP 59 HBR ASP 59 -6.598 10.931 10.113 1062 H ILE 60 HN ILE 60 -4.019 11.290 7.864 1063 HA ILE 60 HA ILE 60 -4.112 8.476 7.319 1064 HB ILE 60 HB ILE 60 -2.772 10.838 5.921 1065 1HG1 ILE 60 HG1 ILE 60 -5.158 10.984 5.945 1066 2HG1 ILE 60 HG1 ILE 60 -4.642 10.518 4.299 1067 1HG2 ILE 60 HMG ILE 60 -2.515 7.965 5.359 1068 2HG2 ILE 60 HMG ILE 60 -3.023 8.955 3.966 1069 3HG2 ILE 60 HMG ILE 60 -1.515 9.344 4.835 1070 1HD1 ILE 60 HMD ILE 60 -5.711 8.604 6.396 1071 2HD1 ILE 60 HMD ILE 60 -6.665 9.312 5.064 1072 3HD1 ILE 60 HMD ILE 60 -5.301 8.222 4.701 1073 H GLU 61 HN GLU 61 -1.245 10.627 7.476 1074 HA GLU 61 HA GLU 61 0.639 8.567 7.701 1075 1HB GLU 61 HBR GLU 61 0.630 11.449 8.608 1076 2HB GLU 61 HBS GLU 61 1.957 10.439 8.802 1077 1HG GLU 61 HGS GLU 61 2.127 9.935 6.435 1078 2HG GLU 61 HGR GLU 61 0.770 11.028 6.051 1079 H LEU 62 HN LEU 62 -1.569 9.798 10.040 1080 HA LEU 62 HA LEU 62 -0.133 8.527 12.259 1081 1HB LEU 62 HBR LEU 62 -2.559 10.277 11.912 1082 2HB LEU 62 HBS LEU 62 -2.256 9.425 13.453 1083 HG LEU 62 HG LEU 62 -1.496 11.710 13.596 1084 1HD1 LEU 62 HMD LEU 62 -0.074 9.567 14.371 1085 2HD1 LEU 62 HMD LEU 62 1.107 10.305 13.261 1086 3HD1 LEU 62 HMD LEU 62 0.473 11.241 14.637 1087 1HD2 LEU 62 HMD LEU 62 -1.046 11.582 10.972 1088 2HD2 LEU 62 HMD LEU 62 -0.204 12.752 12.020 1089 3HD2 LEU 62 HMD LEU 62 0.612 11.246 11.530 1090 H ALA 63 HN ALA 63 -2.587 7.763 9.965 1091 HA ALA 63 HA ALA 63 -3.286 5.275 11.433 1092 1HB ALA 63 HMB ALA 63 -4.275 6.465 8.830 1093 2HB ALA 63 HMB ALA 63 -4.740 4.861 9.454 1094 3HB ALA 63 HMB ALA 63 -5.157 6.330 10.374 1095 H VAL 64 HN VAL 64 -0.632 6.258 10.143 1096 HA VAL 64 HA VAL 64 -0.243 3.902 8.375 1097 HB VAL 64 HB VAL 64 0.840 6.712 8.206 1098 1HG1 VAL 64 HMG VAL 64 2.763 5.263 7.850 1099 2HG1 VAL 64 HMG VAL 64 1.856 4.320 6.643 1100 3HG1 VAL 64 HMG VAL 64 2.256 6.025 6.324 1101 1HG2 VAL 64 HMG VAL 64 -1.394 5.798 7.160 1102 2HG2 VAL 64 HMG VAL 64 -0.341 6.933 6.281 1103 3HG2 VAL 64 HMG VAL 64 -0.287 5.194 5.902 1104 H ARG 65 HN ARG 65 1.998 6.170 10.002 1105 HA ARG 65 HA ARG 65 3.744 4.275 11.006 1106 1HB ARG 65 HBR ARG 65 4.068 6.751 11.044 1107 2HB ARG 65 HBS ARG 65 2.967 6.827 12.449 1108 1HG ARG 65 HGS ARG 65 4.675 5.044 13.429 1109 2HG ARG 65 HGR ARG 65 5.779 5.816 12.257 1110 1HD ARG 65 HDS ARG 65 4.927 8.027 13.262 1111 2HD ARG 65 HDR ARG 65 4.354 7.007 14.612 1112 HE ARG 65 HE ARG 65 7.186 7.373 13.787 1113 1HH1 ARG 65 HH1 ARG 65 4.842 5.983 16.024 1114 2HH1 ARG 65 HH1 ARG 65 5.991 5.849 17.314 1115 1HH2 ARG 65 HH2 ARG 65 8.626 7.301 15.536 1116 2HH2 ARG 65 HH2 ARG 65 8.133 6.593 17.038 1117 H ARG 66 HN ARG 66 0.514 4.869 12.000 1118 HA ARG 66 HA ARG 66 0.524 3.584 14.521 1119 1HB ARG 66 HBR ARG 66 -1.410 4.503 12.642 1120 2HB ARG 66 HBS ARG 66 -1.804 2.808 13.051 1121 1HG ARG 66 HGS ARG 66 -1.483 5.132 14.979 1122 2HG ARG 66 HGR ARG 66 -3.001 4.298 14.535 1123 1HD ARG 66 HDS ARG 66 -1.854 2.180 15.391 1124 2HD ARG 66 HDR ARG 66 -0.678 3.290 16.150 1125 HE ARG 66 HE ARG 66 -3.493 2.911 16.896 1126 1HH1 ARG 66 HH1 ARG 66 -0.695 5.045 17.115 1127 2HH1 ARG 66 HH1 ARG 66 -1.140 5.648 18.676 1128 1HH2 ARG 66 HH2 ARG 66 -3.973 3.627 18.993 1129 2HH2 ARG 66 HH2 ARG 66 -2.996 4.847 19.738 1130 H PHE 67 HN PHE 67 0.583 2.335 11.217 1131 HA PHE 67 HA PHE 67 0.368 -0.475 11.895 1132 1HB PHE 67 HBR PHE 67 1.562 0.949 9.479 1133 2HB PHE 67 HBS PHE 67 1.565 -0.825 9.695 1134 HD1 PHE 67 HD1 PHE 67 -0.884 1.882 10.277 1135 HD2 PHE 67 HD2 PHE 67 -0.054 -1.730 8.172 1136 HE1 PHE 67 HE1 PHE 67 -3.144 1.940 9.328 1137 HE2 PHE 67 HE2 PHE 67 -2.281 -1.621 7.103 1138 HZ PHE 67 HZ PHE 67 -3.860 0.170 7.767 1139 H LYS 68 HN LYS 68 2.887 1.983 11.770 1140 HA LYS 68 HA LYS 68 5.115 1.974 12.338 1141 1HB LYS 68 HBR LYS 68 4.147 -0.381 13.815 1142 2HB LYS 68 HBS LYS 68 5.841 -0.513 13.261 1143 1HG LYS 68 HGR LYS 68 6.124 1.857 14.295 1144 2HG LYS 68 HGS LYS 68 4.602 1.490 15.157 1145 1HD LYS 68 HDS LYS 68 7.229 0.025 15.332 1146 2HD LYS 68 HDR LYS 68 6.442 0.980 16.558 1147 1HE LYS 68 HES LYS 68 4.474 -0.754 16.190 1148 2HE LYS 68 HER LYS 68 5.837 -1.764 15.630 1149 1HZ LYS 68 HZB LYS 68 6.695 -0.601 17.926 1150 2HZ LYS 68 HZC LYS 68 5.147 -1.004 18.256 1151 3HZ LYS 68 HZA LYS 68 6.197 -2.147 17.751 1152 H LYS 69 HN LYS 69 4.652 -1.507 11.711 1153 HA LYS 69 HA LYS 69 5.999 -1.208 9.072 1154 1HB LYS 69 HBR LYS 69 7.340 -3.256 9.715 1155 2HB LYS 69 HBS LYS 69 7.810 -1.713 10.486 1156 1HG LYS 69 HGR LYS 69 6.530 -2.401 12.522 1157 2HG LYS 69 HGS LYS 69 6.222 -3.982 11.748 1158 1HD LYS 69 HDS LYS 69 8.032 -4.605 12.882 1159 2HD LYS 69 HDR LYS 69 8.829 -3.972 11.469 1160 1HE LYS 69 HES LYS 69 8.314 -2.176 13.808 1161 2HE LYS 69 HER LYS 69 9.694 -3.310 13.792 1162 1HZ LYS 69 HZC LYS 69 9.517 -1.893 11.374 1163 2HZ LYS 69 HZA LYS 69 9.581 -0.847 12.626 1164 3HZ LYS 69 HZB LYS 69 10.754 -1.967 12.437 No H/Q in entry = 1164 Start of MODEL 30 Raw file had 1198 H/Q atoms Start of MODEL 30 1 1H MET 1 HNC MET 1 3.480 8.135 -10.509 2 2H MET 1 HN MET 1 3.605 7.496 -12.006 3 3H MET 1 HNB MET 1 2.772 8.882 -11.778 4 HA MET 1 HA MET 1 0.945 7.930 -11.070 5 1HB MET 1 HBS MET 1 1.758 6.828 -13.259 6 2HB MET 1 HBR MET 1 2.104 5.402 -12.241 7 1HG MET 1 HGS MET 1 -0.236 5.305 -11.523 8 2HG MET 1 HGR MET 1 -0.587 6.815 -12.398 9 1HE MET 1 HME MET 1 -2.370 5.870 -13.473 10 2HE MET 1 HME MET 1 -1.773 6.330 -15.087 11 3HE MET 1 HME MET 1 -2.411 4.691 -14.808 12 H GLU 2 HN GLU 2 1.614 8.175 -8.813 13 HA GLU 2 HA GLU 2 2.240 5.567 -7.497 14 1HB GLU 2 HBR GLU 2 2.648 8.228 -6.216 15 2HB GLU 2 HBS GLU 2 3.400 6.752 -5.950 16 1HG GLU 2 HGS GLU 2 4.313 6.922 -8.370 17 2HG GLU 2 HGR GLU 2 4.054 8.678 -8.190 18 H LEU 3 HN LEU 3 0.189 4.829 -7.112 19 HA LEU 3 HA LEU 3 -2.003 4.752 -6.514 20 1HB LEU 3 HBR LEU 3 -0.322 5.924 -4.340 21 2HB LEU 3 HBS LEU 3 -2.063 5.592 -4.069 22 HG LEU 3 HG LEU 3 -1.660 3.273 -4.836 23 1HD1 LEU 3 HMD LEU 3 1.024 4.455 -5.182 24 2HD1 LEU 3 HMD LEU 3 0.969 2.775 -4.589 25 3HD1 LEU 3 HMD LEU 3 0.166 3.206 -6.120 26 1HD2 LEU 3 HMD LEU 3 -1.372 4.273 -2.344 27 2HD2 LEU 3 HMD LEU 3 -1.090 2.552 -2.708 28 3HD2 LEU 3 HMD LEU 3 0.287 3.674 -2.586 29 HA PRO 4 HA PRO 4 -3.158 8.985 -8.048 30 1HB PRO 4 HBR PRO 4 -5.210 7.590 -9.342 31 2HB PRO 4 HBS PRO 4 -4.090 8.592 -10.003 32 1HG PRO 4 HGS PRO 4 -4.125 5.963 -10.303 33 2HG PRO 4 HGR PRO 4 -2.800 6.933 -10.603 34 1HD PRO 4 HDS PRO 4 -3.232 5.187 -8.449 35 2HD PRO 4 HDR PRO 4 -1.807 5.846 -8.968 36 H ILE 5 HN ILE 5 -4.842 10.360 -7.585 37 HA ILE 5 HA ILE 5 -6.012 9.703 -5.008 38 HB ILE 5 HB ILE 5 -7.019 11.981 -5.189 39 1HG1 ILE 5 HG1 ILE 5 -5.493 12.695 -7.630 40 2HG1 ILE 5 HG1 ILE 5 -6.870 11.587 -7.892 41 1HG2 ILE 5 HMG ILE 5 -4.764 11.700 -4.258 42 2HG2 ILE 5 HMG ILE 5 -4.072 11.968 -5.881 43 3HG2 ILE 5 HMG ILE 5 -4.974 13.275 -5.068 44 1HD1 ILE 5 HMD ILE 5 -7.235 14.103 -6.286 45 2HD1 ILE 5 HMD ILE 5 -7.229 14.157 -8.069 46 3HD1 ILE 5 HMD ILE 5 -8.432 13.158 -7.212 47 H ALA 6 HN ALA 6 -6.970 7.725 -6.186 48 HA ALA 6 HA ALA 6 -9.784 8.143 -6.470 49 1HB ALA 6 HMB ALA 6 -8.159 7.630 -8.953 50 2HB ALA 6 HMB ALA 6 -9.815 6.994 -8.789 51 3HB ALA 6 HMB ALA 6 -9.523 8.750 -8.705 52 HA PRO 7 HA PRO 7 -8.237 3.513 -6.588 53 1HB PRO 7 HBS PRO 7 -5.543 3.424 -6.388 54 2HB PRO 7 HBR PRO 7 -6.417 2.955 -7.697 55 1HG PRO 7 HGR PRO 7 -4.889 5.274 -7.352 56 2HG PRO 7 HGS PRO 7 -5.426 4.574 -8.769 57 1HD PRO 7 HDS PRO 7 -6.447 6.796 -7.684 58 2HD PRO 7 HDR PRO 7 -7.197 5.873 -8.833 59 H ILE 8 HN ILE 8 -6.606 5.998 -4.887 60 HA ILE 8 HA ILE 8 -6.411 4.678 -2.356 61 HB ILE 8 HB ILE 8 -6.709 7.622 -3.120 62 1HG1 ILE 8 HG1 ILE 8 -4.714 6.256 -3.925 63 2HG1 ILE 8 HG1 ILE 8 -4.369 7.776 -3.053 64 1HG2 ILE 8 HMG ILE 8 -6.799 6.386 -0.505 65 2HG2 ILE 8 HMG ILE 8 -5.410 7.494 -0.656 66 3HG2 ILE 8 HMG ILE 8 -7.060 8.083 -0.985 67 1HD1 ILE 8 HMD ILE 8 -4.353 5.084 -1.678 68 2HD1 ILE 8 HMD ILE 8 -2.917 5.758 -2.495 69 3HD1 ILE 8 HMD ILE 8 -3.653 6.628 -1.122 70 H GLY 9 HN GLY 9 -8.981 6.482 -4.015 71 1HA GLY 9 HAS GLY 9 -10.593 7.029 -1.847 72 2HA GLY 9 HAR GLY 9 -11.199 6.852 -3.515 73 H ARG 10 HN ARG 10 -10.696 4.161 -3.979 74 HA ARG 10 HA ARG 10 -12.776 2.948 -2.318 75 1HB ARG 10 HBR ARG 10 -11.355 1.763 -4.720 76 2HB ARG 10 HBS ARG 10 -12.908 1.257 -3.994 77 1HG ARG 10 HGS ARG 10 -14.026 2.644 -5.322 78 2HG ARG 10 HGR ARG 10 -13.061 4.031 -4.745 79 1HD ARG 10 HDS ARG 10 -12.394 4.140 -6.868 80 2HD ARG 10 HDR ARG 10 -11.285 2.826 -6.384 81 HE ARG 10 HE ARG 10 -13.380 1.386 -7.169 82 1HH1 ARG 10 HH1 ARG 10 -12.279 4.391 -8.646 83 2HH1 ARG 10 HH1 ARG 10 -12.641 3.860 -10.254 84 1HH2 ARG 10 HH2 ARG 10 -13.721 0.679 -9.295 85 2HH2 ARG 10 HH2 ARG 10 -13.459 1.760 -10.623 86 H ILE 11 HN ILE 11 -9.845 3.362 -1.482 87 HA ILE 11 HA ILE 11 -9.501 0.586 -0.453 88 HB ILE 11 HB ILE 11 -7.493 2.887 -0.626 89 1HG1 ILE 11 HG1 ILE 11 -7.459 0.107 -1.866 90 2HG1 ILE 11 HG1 ILE 11 -7.959 1.605 -2.703 91 1HG2 ILE 11 HMG ILE 11 -7.443 1.418 1.512 92 2HG2 ILE 11 HMG ILE 11 -6.780 0.168 0.425 93 3HG2 ILE 11 HMG ILE 11 -5.932 1.726 0.614 94 1HD1 ILE 11 HMD ILE 11 -5.394 2.086 -1.588 95 2HD1 ILE 11 HMD ILE 11 -5.335 0.491 -2.386 96 3HD1 ILE 11 HMD ILE 11 -5.846 1.931 -3.306 97 H ILE 12 HN ILE 12 -9.703 4.051 0.319 98 HA ILE 12 HA ILE 12 -9.845 3.574 3.171 99 HB ILE 12 HB ILE 12 -10.592 6.133 1.688 100 1HG1 ILE 12 HG1 ILE 12 -8.434 5.208 0.856 101 2HG1 ILE 12 HG1 ILE 12 -8.292 6.805 1.643 102 1HG2 ILE 12 HMG ILE 12 -10.687 5.558 4.362 103 2HG2 ILE 12 HMG ILE 12 -9.082 6.320 4.192 104 3HG2 ILE 12 HMG ILE 12 -10.544 7.187 3.650 105 1HD1 ILE 12 HMD ILE 12 -7.474 5.684 3.694 106 2HD1 ILE 12 HMD ILE 12 -7.540 4.120 2.836 107 3HD1 ILE 12 HMD ILE 12 -6.427 5.398 2.278 108 H LYS 13 HN LYS 13 -12.141 4.295 0.561 109 HA LYS 13 HA LYS 13 -14.537 4.297 2.101 110 1HB LYS 13 HBR LYS 13 -13.782 3.888 -0.741 111 2HB LYS 13 HBS LYS 13 -15.314 3.134 -0.217 112 1HG LYS 13 HGR LYS 13 -16.361 5.102 -0.368 113 2HG LYS 13 HGS LYS 13 -15.221 5.817 0.807 114 1HD LYS 13 HDS LYS 13 -15.186 7.145 -1.156 115 2HD LYS 13 HDR LYS 13 -13.662 6.324 -0.961 116 1HE LYS 13 HES LYS 13 -14.310 6.303 -3.281 117 2HE LYS 13 HER LYS 13 -14.300 4.649 -2.607 118 1HZ LYS 13 HZC LYS 13 -16.825 5.815 -2.304 119 2HZ LYS 13 HZA LYS 13 -16.374 5.914 -3.871 120 3HZ LYS 13 HZB LYS 13 -16.410 4.464 -3.121 121 H ASP 14 HN ASP 14 -12.753 1.682 0.430 122 HA ASP 14 HA ASP 14 -14.402 -0.374 1.049 123 1HB ASP 14 HBS ASP 14 -12.443 -0.405 -0.485 124 2HB ASP 14 HBR ASP 14 -11.405 -0.644 0.952 125 H ALA 15 HN ALA 15 -11.847 0.951 3.090 126 HA ALA 15 HA ALA 15 -12.148 -0.538 5.396 127 1HB ALA 15 HMB ALA 15 -10.956 1.848 4.689 128 2HB ALA 15 HMB ALA 15 -12.157 2.338 5.911 129 3HB ALA 15 HMB ALA 15 -10.938 1.100 6.307 130 H GLY 16 HN GLY 16 -14.223 2.115 4.241 131 1HA GLY 16 HAR GLY 16 -16.605 2.003 4.992 132 2HA GLY 16 HAS GLY 16 -15.977 1.749 6.642 133 H ALA 17 HN ALA 17 -14.281 3.894 4.477 134 HA ALA 17 HA ALA 17 -14.797 6.194 6.072 135 1HB ALA 17 HMB ALA 17 -12.773 5.569 4.594 136 2HB ALA 17 HMB ALA 17 -13.719 6.282 3.265 137 3HB ALA 17 HMB ALA 17 -13.286 7.274 4.681 138 H GLU 18 HN GLU 18 -15.115 8.290 4.399 139 HA GLU 18 HA GLU 18 -17.028 7.876 2.310 140 1HB GLU 18 HBS GLU 18 -18.659 9.467 3.371 141 2HB GLU 18 HBR GLU 18 -18.781 7.836 3.744 142 1HG GLU 18 HGS GLU 18 -18.812 8.509 5.918 143 2HG GLU 18 HGR GLU 18 -17.061 8.829 5.786 144 H ARG 19 HN ARG 19 -15.623 8.971 1.043 145 HA ARG 19 HA ARG 19 -14.481 10.709 0.090 146 1HB ARG 19 HBR ARG 19 -15.960 12.714 1.736 147 2HB ARG 19 HBS ARG 19 -15.578 12.698 -0.010 148 1HG ARG 19 HGS ARG 19 -17.330 10.567 0.288 149 2HG ARG 19 HGR ARG 19 -17.977 11.799 1.408 150 1HD ARG 19 HDS ARG 19 -18.452 13.263 -0.249 151 2HD ARG 19 HDR ARG 19 -17.125 12.684 -1.296 152 HE ARG 19 HE ARG 19 -18.707 11.406 -2.350 153 1HH1 ARG 19 HH1 ARG 19 -19.844 11.997 0.935 154 2HH1 ARG 19 HH1 ARG 19 -21.204 10.937 0.770 155 1HH2 ARG 19 HH2 ARG 19 -20.424 9.932 -2.484 156 2HH2 ARG 19 HH2 ARG 19 -21.533 9.769 -1.164 157 H VAL 20 HN VAL 20 -12.435 10.675 0.719 158 HA VAL 20 HA VAL 20 -11.524 11.898 3.219 159 HB VAL 20 HB VAL 20 -9.971 11.105 0.746 160 1HG1 VAL 20 HMG VAL 20 -9.036 11.743 3.555 161 2HG1 VAL 20 HMG VAL 20 -8.020 11.054 2.266 162 3HG1 VAL 20 HMG VAL 20 -8.720 12.679 2.074 163 1HG2 VAL 20 HMG VAL 20 -10.902 9.527 3.101 164 2HG2 VAL 20 HMG VAL 20 -10.734 9.059 1.391 165 3HG2 VAL 20 HMG VAL 20 -9.290 9.185 2.424 166 H SER 21 HN SER 21 -9.971 13.743 3.050 167 HA SER 21 HA SER 21 -11.595 15.851 1.797 168 1HB SER 21 HBS SER 21 -11.357 16.127 4.117 169 2HB SER 21 HBR SER 21 -9.593 15.844 4.063 170 HG SER 21 HG SER 21 -11.137 18.110 3.789 171 H ASP 22 HN ASP 22 -8.159 16.011 2.653 172 HA ASP 22 HA ASP 22 -7.112 16.225 0.023 173 1HB ASP 22 HBS ASP 22 -8.569 18.142 -0.163 174 2HB ASP 22 HBR ASP 22 -7.839 18.862 1.301 175 H ASP 23 HN ASP 23 -4.947 16.400 0.013 176 HA ASP 23 HA ASP 23 -2.870 16.015 0.843 177 1HB ASP 23 HBS ASP 23 -3.928 17.672 2.924 178 2HB ASP 23 HBR ASP 23 -2.962 16.341 3.625 179 H ALA 24 HN ALA 24 -5.393 14.985 3.173 180 HA ALA 24 HA ALA 24 -4.147 12.698 4.037 181 1HB ALA 24 HMB ALA 24 -6.864 13.772 4.022 182 2HB ALA 24 HMB ALA 24 -6.817 11.990 4.045 183 3HB ALA 24 HMB ALA 24 -5.965 12.920 5.304 184 H ARG 25 HN ARG 25 -6.354 13.029 1.257 185 HA ARG 25 HA ARG 25 -6.450 10.372 0.497 186 1HB ARG 25 HBS ARG 25 -6.739 11.334 -1.887 187 2HB ARG 25 HBR ARG 25 -7.940 11.727 -0.623 188 1HG ARG 25 HGS ARG 25 -6.228 13.821 -0.355 189 2HG ARG 25 HGR ARG 25 -6.064 13.481 -2.101 190 1HD ARG 25 HDS ARG 25 -8.821 13.404 -1.157 191 2HD ARG 25 HDR ARG 25 -8.027 14.985 -0.906 192 HE ARG 25 HE ARG 25 -7.396 14.306 -3.500 193 1HH1 ARG 25 HH1 ARG 25 -10.320 14.972 -1.646 194 2HH1 ARG 25 HH1 ARG 25 -11.259 15.337 -3.054 195 1HH2 ARG 25 HH2 ARG 25 -8.691 14.664 -5.325 196 2HH2 ARG 25 HH2 ARG 25 -10.339 15.166 -5.136 197 H ILE 26 HN ILE 26 -4.016 12.823 -0.330 198 HA ILE 26 HA ILE 26 -2.679 10.959 -2.152 199 HB ILE 26 HB ILE 26 -1.952 13.848 -1.469 200 1HG1 ILE 26 HG1 ILE 26 -3.360 13.600 -3.978 201 2HG1 ILE 26 HG1 ILE 26 -4.331 12.857 -2.674 202 1HG2 ILE 26 HMG ILE 26 -1.036 11.897 -3.508 203 2HG2 ILE 26 HMG ILE 26 -1.271 13.581 -4.045 204 3HG2 ILE 26 HMG ILE 26 -0.163 13.222 -2.695 205 1HD1 ILE 26 HMD ILE 26 -3.164 15.649 -2.529 206 2HD1 ILE 26 HMD ILE 26 -4.808 15.281 -3.112 207 3HD1 ILE 26 HMD ILE 26 -4.353 14.900 -1.430 208 H THR 27 HN THR 27 -2.338 12.229 1.065 209 HA THR 27 HA THR 27 0.408 11.637 1.534 210 HB THR 27 HB THR 27 -2.000 11.673 3.436 211 HG1 THR 27 HG1 THR 27 -1.834 13.399 2.946 212 1HG2 THR 27 HMG THR 27 0.940 11.360 4.026 213 2HG2 THR 27 HMG THR 27 -0.193 12.072 5.204 214 3HG2 THR 27 HMG THR 27 -0.434 10.401 4.632 215 H LEU 28 HN LEU 28 -2.566 9.694 1.724 216 HA LEU 28 HA LEU 28 -1.121 7.413 2.757 217 1HB LEU 28 HBS LEU 28 -3.422 8.234 3.380 218 2HB LEU 28 HBR LEU 28 -3.991 7.610 1.806 219 HG LEU 28 HG LEU 28 -3.599 5.366 2.445 220 1HD1 LEU 28 HMD LEU 28 -1.459 5.721 3.631 221 2HD1 LEU 28 HMD LEU 28 -2.350 6.442 4.995 222 3HD1 LEU 28 HMD LEU 28 -2.600 4.729 4.574 223 1HD2 LEU 28 HMD LEU 28 -5.476 6.920 3.526 224 2HD2 LEU 28 HMD LEU 28 -5.307 5.199 3.956 225 3HD2 LEU 28 HMD LEU 28 -4.635 6.456 5.027 226 H ALA 29 HN ALA 29 -1.852 8.612 -0.361 227 HA ALA 29 HA ALA 29 -1.316 6.068 -1.735 228 1HB ALA 29 HMB ALA 29 -2.147 8.758 -2.462 229 2HB ALA 29 HMB ALA 29 -0.811 8.171 -3.484 230 3HB ALA 29 HMB ALA 29 -2.313 7.221 -3.349 231 H LYS 30 HN LYS 30 0.348 9.158 -1.036 232 HA LYS 30 HA LYS 30 2.902 8.454 -1.977 233 1HB LYS 30 HBS LYS 30 1.827 10.667 -0.805 234 2HB LYS 30 HBR LYS 30 2.844 10.034 0.521 235 1HG LYS 30 HGR LYS 30 4.475 9.871 -1.752 236 2HG LYS 30 HGS LYS 30 3.612 11.426 -1.930 237 1HD LYS 30 HDS LYS 30 4.568 12.361 -0.112 238 2HD LYS 30 HDR LYS 30 4.684 10.849 0.746 239 1HE LYS 30 HES LYS 30 6.506 10.205 -0.939 240 2HE LYS 30 HER LYS 30 6.524 11.946 -1.339 241 1HZ LYS 30 HZC LYS 30 6.645 11.263 1.457 242 2HZ LYS 30 HZA LYS 30 7.973 10.900 0.577 243 3HZ LYS 30 HZB LYS 30 7.425 12.437 0.631 244 H ILE 31 HN ILE 31 1.244 7.721 1.054 245 HA ILE 31 HA ILE 31 3.509 6.498 2.396 246 HB ILE 31 HB ILE 31 0.477 6.380 2.750 247 1HG1 ILE 31 HG1 ILE 31 2.455 7.443 4.757 248 2HG1 ILE 31 HG1 ILE 31 2.050 8.409 3.310 249 1HG2 ILE 31 HMG ILE 31 1.619 4.214 3.439 250 2HG2 ILE 31 HMG ILE 31 2.413 5.170 4.719 251 3HG2 ILE 31 HMG ILE 31 0.635 5.051 4.669 252 1HD1 ILE 31 HMD ILE 31 -0.035 7.320 5.215 253 2HD1 ILE 31 HMD ILE 31 0.718 8.927 5.396 254 3HD1 ILE 31 HMD ILE 31 -0.240 8.550 3.940 255 H LEU 32 HN LEU 32 0.525 4.918 1.247 256 HA LEU 32 HA LEU 32 1.512 2.424 1.655 257 1HB LEU 32 HBS LEU 32 -0.769 3.663 0.291 258 2HB LEU 32 HBR LEU 32 -0.380 2.030 -0.321 259 HG LEU 32 HG LEU 32 -2.138 2.088 1.437 260 1HD1 LEU 32 HMD LEU 32 0.479 0.625 1.791 261 2HD1 LEU 32 HMD LEU 32 -0.917 0.308 2.851 262 3HD1 LEU 32 HMD LEU 32 -1.053 0.039 1.094 263 1HD2 LEU 32 HMD LEU 32 -0.178 3.697 2.767 264 2HD2 LEU 32 HMD LEU 32 -1.821 3.262 3.302 265 3HD2 LEU 32 HMD LEU 32 -0.441 2.215 3.720 266 H GLU 33 HN GLU 33 1.787 4.321 -1.297 267 HA GLU 33 HA GLU 33 2.884 2.397 -2.992 268 1HB GLU 33 HBS GLU 33 3.704 4.167 -4.209 269 2HB GLU 33 HBR GLU 33 2.196 4.631 -3.640 270 1HG GLU 33 HGS GLU 33 3.360 5.962 -1.825 271 2HG GLU 33 HGR GLU 33 4.940 5.521 -2.527 272 H GLU 34 HN GLU 34 4.406 4.284 -0.408 273 HA GLU 34 HA GLU 34 7.026 4.105 -1.290 274 1HB GLU 34 HBS GLU 34 7.579 5.024 0.673 275 2HB GLU 34 HBR GLU 34 6.013 5.580 0.448 276 1HG GLU 34 HGS GLU 34 5.764 5.006 2.628 277 2HG GLU 34 HGR GLU 34 5.536 3.329 2.062 278 H MET 35 HN MET 35 5.291 1.932 0.954 279 HA MET 35 HA MET 35 7.495 0.095 1.137 280 1HB MET 35 HBS MET 35 4.591 -0.423 1.827 281 2HB MET 35 HBR MET 35 6.040 -1.272 2.437 282 1HG MET 35 HGS MET 35 6.785 0.753 3.593 283 2HG MET 35 HGR MET 35 5.447 1.682 2.874 284 1HE MET 35 HME MET 35 6.051 1.768 5.598 285 2HE MET 35 HME MET 35 4.668 1.328 6.632 286 3HE MET 35 HME MET 35 6.062 0.227 6.492 287 H GLY 36 HN GLY 36 4.688 0.434 -0.938 288 1HA GLY 36 HAR GLY 36 4.699 -2.155 -2.042 289 2HA GLY 36 HAS GLY 36 3.996 -0.705 -2.809 290 H ARG 37 HN ARG 37 6.382 0.825 -3.017 291 HA ARG 37 HA ARG 37 7.706 -0.241 -5.348 292 1HB ARG 37 HBR ARG 37 7.639 2.220 -3.930 293 2HB ARG 37 HBS ARG 37 9.337 1.662 -3.951 294 1HG ARG 37 HGS ARG 37 7.999 1.407 -6.550 295 2HG ARG 37 HGR ARG 37 8.062 3.087 -5.947 296 1HD ARG 37 HDS ARG 37 10.429 1.223 -6.086 297 2HD ARG 37 HDR ARG 37 9.998 2.412 -7.346 298 HE ARG 37 HE ARG 37 10.142 4.015 -5.219 299 1HH1 ARG 37 HH1 ARG 37 12.227 1.252 -5.882 300 2HH1 ARG 37 HH1 ARG 37 13.644 2.032 -5.264 301 1HH2 ARG 37 HH2 ARG 37 12.039 5.051 -4.536 302 2HH2 ARG 37 HH2 ARG 37 13.538 4.182 -4.499 303 H ASP 38 HN ASP 38 7.941 -0.764 -1.966 304 HA ASP 38 HA ASP 38 10.789 -1.347 -2.083 305 1HB ASP 38 HBS ASP 38 9.069 -0.173 -0.215 306 2HB ASP 38 HBR ASP 38 9.662 -1.685 0.533 307 H ILE 39 HN ILE 39 7.776 -3.051 -1.312 308 HA ILE 39 HA ILE 39 9.018 -5.602 -0.719 309 HB ILE 39 HB ILE 39 6.200 -5.083 -1.775 310 1HG1 ILE 39 HG1 ILE 39 6.889 -5.198 1.164 311 2HG1 ILE 39 HG1 ILE 39 7.007 -3.667 0.253 312 1HG2 ILE 39 HMG ILE 39 7.380 -7.315 -0.111 313 2HG2 ILE 39 HMG ILE 39 5.636 -7.081 -0.404 314 3HG2 ILE 39 HMG ILE 39 6.734 -7.413 -1.770 315 1HD1 ILE 39 HMD ILE 39 4.488 -5.328 0.250 316 2HD1 ILE 39 HMD ILE 39 4.835 -4.143 1.537 317 3HD1 ILE 39 HMD ILE 39 4.697 -3.604 -0.158 318 H ALA 40 HN ALA 40 8.425 -3.709 -3.534 319 HA ALA 40 HA ALA 40 8.228 -5.850 -5.491 320 1HB ALA 40 HMB ALA 40 8.261 -2.944 -5.449 321 2HB ALA 40 HMB ALA 40 9.309 -3.605 -6.730 322 3HB ALA 40 HMB ALA 40 7.590 -4.071 -6.655 323 H SER 41 HN SER 41 10.795 -3.393 -5.176 324 HA SER 41 HA SER 41 12.827 -4.950 -6.214 325 1HB SER 41 HBS SER 41 12.614 -2.376 -5.314 326 2HB SER 41 HBR SER 41 13.765 -3.087 -4.146 327 HG SER 41 HG SER 41 15.267 -3.087 -5.518 328 H GLU 42 HN GLU 42 11.352 -5.198 -3.136 329 HA GLU 42 HA GLU 42 13.481 -6.729 -1.831 330 1HB GLU 42 HBS GLU 42 10.656 -5.996 -1.438 331 2HB GLU 42 HBR GLU 42 11.114 -7.412 -0.663 332 1HG GLU 42 HGR GLU 42 12.469 -4.654 -0.325 333 2HG GLU 42 HGS GLU 42 11.252 -5.369 0.767 334 H ALA 43 HN ALA 43 10.183 -7.611 -2.936 335 HA ALA 43 HA ALA 43 10.626 -10.333 -3.192 336 1HB ALA 43 HMB ALA 43 8.726 -8.462 -4.608 337 2HB ALA 43 HMB ALA 43 8.700 -10.228 -4.851 338 3HB ALA 43 HMB ALA 43 8.415 -9.547 -3.229 339 H ILE 44 HN ILE 44 11.830 -7.803 -5.166 340 HA ILE 44 HA ILE 44 12.419 -9.598 -7.389 341 HB ILE 44 HB ILE 44 12.884 -6.622 -6.876 342 1HG1 ILE 44 HG1 ILE 44 10.993 -7.999 -8.818 343 2HG1 ILE 44 HG1 ILE 44 10.545 -7.514 -7.157 344 1HG2 ILE 44 HMG ILE 44 14.349 -8.143 -8.675 345 2HG2 ILE 44 HMG ILE 44 13.060 -7.410 -9.667 346 3HG2 ILE 44 HMG ILE 44 14.132 -6.373 -8.689 347 1HD1 ILE 44 HMD ILE 44 11.616 -5.547 -9.187 348 2HD1 ILE 44 HMD ILE 44 9.882 -5.940 -9.049 349 3HD1 ILE 44 HMD ILE 44 10.745 -5.218 -7.665 350 H LYS 45 HN LYS 45 14.403 -7.364 -5.402 351 HA LYS 45 HA LYS 45 16.902 -8.412 -6.347 352 1HB LYS 45 HBR LYS 45 16.193 -6.172 -4.989 353 2HB LYS 45 HBS LYS 45 16.824 -7.177 -3.653 354 1HG LYS 45 HGR LYS 45 18.431 -6.881 -6.185 355 2HG LYS 45 HGS LYS 45 18.424 -5.561 -4.979 356 1HD LYS 45 HDS LYS 45 19.360 -6.897 -3.312 357 2HD LYS 45 HDR LYS 45 18.972 -8.376 -4.147 358 1HE LYS 45 HES LYS 45 21.167 -6.427 -4.745 359 2HE LYS 45 HER LYS 45 21.249 -8.182 -4.420 360 1HZ LYS 45 HZB LYS 45 19.792 -8.206 -6.567 361 2HZ LYS 45 HZC LYS 45 20.562 -6.798 -6.866 362 3HZ LYS 45 HZA LYS 45 21.423 -8.169 -6.648 363 H LEU 46 HN LEU 46 14.587 -9.462 -4.024 364 HA LEU 46 HA LEU 46 16.220 -11.315 -2.536 365 1HB LEU 46 HBR LEU 46 13.309 -11.017 -3.254 366 2HB LEU 46 HBS LEU 46 13.909 -12.487 -2.436 367 HG LEU 46 HG LEU 46 14.479 -9.789 -1.255 368 1HD1 LEU 46 HMD LEU 46 11.859 -10.739 -1.798 369 2HD1 LEU 46 HMD LEU 46 12.161 -10.986 -0.059 370 3HD1 LEU 46 HMD LEU 46 12.347 -9.365 -0.774 371 1HD2 LEU 46 HMD LEU 46 14.346 -12.669 -0.456 372 2HD2 LEU 46 HMD LEU 46 15.558 -11.424 -0.063 373 3HD2 LEU 46 HMD LEU 46 13.985 -11.432 0.774 374 H ALA 47 HN ALA 47 14.322 -11.495 -5.556 375 HA ALA 47 HA ALA 47 15.064 -14.265 -5.945 376 1HB ALA 47 HMB ALA 47 12.836 -13.072 -6.462 377 2HB ALA 47 HMB ALA 47 13.647 -12.526 -7.954 378 3HB ALA 47 HMB ALA 47 13.460 -14.268 -7.626 379 H ARG 48 HN ARG 48 16.238 -11.180 -6.984 380 HA ARG 48 HA ARG 48 17.508 -12.136 -9.451 381 1HB ARG 48 HBR ARG 48 16.808 -9.617 -8.420 382 2HB ARG 48 HBS ARG 48 18.594 -9.668 -8.391 383 1HG ARG 48 HGS ARG 48 17.601 -10.707 -10.899 384 2HG ARG 48 HGR ARG 48 16.910 -9.091 -10.579 385 1HD ARG 48 HDS ARG 48 19.825 -9.583 -10.144 386 2HD ARG 48 HDR ARG 48 19.198 -9.353 -11.800 387 HE ARG 48 HE ARG 48 19.395 -7.341 -9.690 388 1HH1 ARG 48 HH1 ARG 48 17.662 -8.235 -12.626 389 2HH1 ARG 48 HH1 ARG 48 17.430 -6.591 -13.120 390 1HH2 ARG 48 HH2 ARG 48 19.186 -5.209 -10.432 391 2HH2 ARG 48 HH2 ARG 48 18.291 -4.878 -11.878 392 H HIS 49 HN HIS 49 18.146 -11.928 -6.053 393 HA HIS 49 HA HIS 49 20.999 -12.309 -6.104 394 1HB HIS 49 HBS HIS 49 19.318 -11.904 -4.047 395 2HB HIS 49 HBR HIS 49 19.356 -13.689 -4.012 396 HD1 HIS 49 HD1 HIS 49 21.824 -10.732 -3.905 397 HD2 HIS 49 HD2 HIS 49 21.534 -14.741 -2.812 398 HE1 HIS 49 HE1 HIS 49 23.963 -11.300 -2.730 399 HE2 HIS 49 HE2 HIS 49 23.803 -13.731 -2.085 400 H ALA 50 HN ALA 50 18.267 -14.214 -6.983 401 HA ALA 50 HA ALA 50 19.652 -16.748 -6.935 402 1HB ALA 50 HMB ALA 50 17.061 -16.037 -7.023 403 2HB ALA 50 HMB ALA 50 17.345 -16.347 -8.755 404 3HB ALA 50 HMB ALA 50 17.672 -17.624 -7.556 405 H GLY 51 HN GLY 51 18.817 -14.366 -9.461 406 1HA GLY 51 HAR GLY 51 20.463 -13.678 -11.066 407 2HA GLY 51 HAS GLY 51 21.194 -15.302 -10.984 408 H ARG 52 HN ARG 52 17.754 -15.230 -11.015 409 HA ARG 52 HA ARG 52 17.107 -14.695 -13.620 410 1HB ARG 52 HBS ARG 52 16.635 -17.156 -14.386 411 2HB ARG 52 HBR ARG 52 18.222 -16.390 -14.684 412 1HG ARG 52 HGS ARG 52 18.989 -17.527 -12.521 413 2HG ARG 52 HGR ARG 52 17.492 -18.495 -12.638 414 1HD ARG 52 HDS ARG 52 19.686 -18.293 -14.701 415 2HD ARG 52 HDR ARG 52 19.357 -19.674 -13.618 416 HE ARG 52 HE ARG 52 17.814 -18.881 -15.993 417 1HH1 ARG 52 HH1 ARG 52 18.328 -21.120 -13.318 418 2HH1 ARG 52 HH1 ARG 52 17.112 -22.224 -13.866 419 1HH2 ARG 52 HH2 ARG 52 16.138 -20.280 -16.602 420 2HH2 ARG 52 HH2 ARG 52 15.871 -21.749 -15.724 421 H LYS 53 HN LYS 53 15.421 -13.864 -12.388 422 HA LYS 53 HA LYS 53 13.888 -15.777 -10.720 423 1HB LYS 53 HBR LYS 53 13.016 -13.440 -9.828 424 2HB LYS 53 HBS LYS 53 14.548 -14.167 -9.264 425 1HG LYS 53 HGR LYS 53 14.868 -11.795 -9.683 426 2HG LYS 53 HGS LYS 53 15.788 -12.747 -10.883 427 1HD LYS 53 HDS LYS 53 14.724 -10.843 -11.922 428 2HD LYS 53 HDR LYS 53 14.170 -12.365 -12.564 429 1HE LYS 53 HES LYS 53 12.070 -11.837 -12.164 430 2HE LYS 53 HER LYS 53 12.444 -11.665 -10.426 431 1HZ LYS 53 HZC LYS 53 13.157 -9.499 -12.219 432 2HZ LYS 53 HZA LYS 53 11.584 -9.674 -11.812 433 3HZ LYS 53 HZB LYS 53 12.708 -9.447 -10.649 434 H THR 54 HN THR 54 11.644 -15.710 -10.617 435 HA THR 54 HA THR 54 10.229 -13.759 -12.275 436 HB THR 54 HB THR 54 9.682 -16.770 -12.522 437 HG1 THR 54 HG1 THR 54 10.196 -14.719 -14.228 438 1HG2 THR 54 HMG THR 54 7.750 -14.760 -12.572 439 2HG2 THR 54 HMG THR 54 8.091 -15.110 -14.287 440 3HG2 THR 54 HMG THR 54 7.600 -16.426 -13.189 441 H ILE 55 HN ILE 55 8.973 -12.743 -10.922 442 HA ILE 55 HA ILE 55 8.874 -13.483 -8.211 443 HB ILE 55 HB ILE 55 7.005 -11.493 -9.580 444 1HG1 ILE 55 HG1 ILE 55 9.149 -11.010 -10.472 445 2HG1 ILE 55 HG1 ILE 55 8.843 -9.809 -9.185 446 1HG2 ILE 55 HMG ILE 55 7.634 -12.118 -6.816 447 2HG2 ILE 55 HMG ILE 55 7.943 -10.405 -7.204 448 3HG2 ILE 55 HMG ILE 55 6.332 -11.110 -7.504 449 1HD1 ILE 55 HMD ILE 55 10.432 -12.313 -8.640 450 2HD1 ILE 55 HMD ILE 55 11.187 -10.863 -9.354 451 3HD1 ILE 55 HMD ILE 55 10.415 -10.768 -7.749 452 H LYS 56 HN LYS 56 6.982 -13.795 -6.862 453 HA LYS 56 HA LYS 56 4.867 -15.421 -8.116 454 1HB LYS 56 HBR LYS 56 6.297 -16.662 -5.801 455 2HB LYS 56 HBS LYS 56 5.337 -17.413 -7.107 456 1HG LYS 56 HGR LYS 56 7.127 -17.504 -8.564 457 2HG LYS 56 HGS LYS 56 7.958 -16.116 -7.802 458 1HD LYS 56 HDS LYS 56 9.149 -18.207 -7.433 459 2HD LYS 56 HDR LYS 56 8.660 -17.400 -5.968 460 1HE LYS 56 HES LYS 56 6.529 -19.058 -6.387 461 2HE LYS 56 HER LYS 56 7.907 -20.019 -6.998 462 1HZ LYS 56 HZC LYS 56 8.213 -18.669 -4.455 463 2HZ LYS 56 HZA LYS 56 7.258 -19.994 -4.492 464 3HZ LYS 56 HZB LYS 56 8.821 -20.099 -4.958 465 H ALA 57 HN ALA 57 3.405 -16.286 -6.316 466 HA ALA 57 HA ALA 57 2.545 -14.210 -4.514 467 1HB ALA 57 HMB ALA 57 1.828 -17.011 -5.146 468 2HB ALA 57 HMB ALA 57 1.483 -16.469 -3.483 469 3HB ALA 57 HMB ALA 57 0.800 -15.582 -4.870 470 H GLU 58 HN GLU 58 5.061 -16.546 -4.487 471 HA GLU 58 HA GLU 58 5.465 -16.160 -1.569 472 1HB GLU 58 HBR GLU 58 5.519 -18.334 -3.311 473 2HB GLU 58 HBS GLU 58 7.141 -17.930 -3.160 474 1HG GLU 58 HGS GLU 58 6.464 -17.782 -0.547 475 2HG GLU 58 HGR GLU 58 5.422 -19.140 -1.050 476 H ASP 59 HN ASP 59 6.062 -14.120 -3.640 477 HA ASP 59 HA ASP 59 8.870 -13.735 -2.777 478 1HB ASP 59 HBS ASP 59 8.062 -13.868 -5.424 479 2HB ASP 59 HBR ASP 59 8.211 -12.119 -5.083 480 H ILE 60 HN ILE 60 5.721 -12.289 -3.479 481 HA ILE 60 HA ILE 60 6.134 -9.918 -1.863 482 HB ILE 60 HB ILE 60 3.731 -11.424 -2.956 483 1HG1 ILE 60 HG1 ILE 60 3.369 -9.394 -4.218 484 2HG1 ILE 60 HG1 ILE 60 4.668 -8.559 -3.319 485 1HG2 ILE 60 HMG ILE 60 3.583 -9.077 -1.055 486 2HG2 ILE 60 HMG ILE 60 2.243 -9.664 -2.076 487 3HG2 ILE 60 HMG ILE 60 2.924 -10.716 -0.806 488 1HD1 ILE 60 HMD ILE 60 5.433 -11.048 -4.756 489 2HD1 ILE 60 HMD ILE 60 5.015 -9.633 -5.758 490 3HD1 ILE 60 HMD ILE 60 6.319 -9.513 -4.547 491 H GLU 61 HN GLU 61 4.561 -13.094 -1.305 492 HA GLU 61 HA GLU 61 4.085 -12.766 1.410 493 1HB GLU 61 HBR GLU 61 4.618 -15.166 -0.331 494 2HB GLU 61 HBS GLU 61 4.394 -15.331 1.324 495 1HG GLU 61 HGS GLU 61 2.347 -13.677 0.004 496 2HG GLU 61 HGR GLU 61 2.249 -15.419 -0.370 497 H LEU 62 HN LEU 62 7.093 -13.235 -0.189 498 HA LEU 62 HA LEU 62 8.411 -13.228 2.485 499 1HB LEU 62 HBS LEU 62 9.146 -14.733 -0.043 500 2HB LEU 62 HBR LEU 62 10.160 -14.630 1.424 501 HG LEU 62 HG LEU 62 7.454 -15.965 1.172 502 1HD1 LEU 62 HMD LEU 62 9.981 -16.894 0.500 503 2HD1 LEU 62 HMD LEU 62 9.739 -17.499 2.158 504 3HD1 LEU 62 HMD LEU 62 8.557 -17.893 0.885 505 1HD2 LEU 62 HMD LEU 62 8.923 -14.877 3.426 506 2HD2 LEU 62 HMD LEU 62 7.293 -15.597 3.368 507 3HD2 LEU 62 HMD LEU 62 8.721 -16.642 3.582 508 H ALA 63 HN ALA 63 7.639 -10.964 0.886 509 HA ALA 63 HA ALA 63 10.353 -9.782 0.926 510 1HB ALA 63 HMB ALA 63 8.244 -9.360 -1.182 511 2HB ALA 63 HMB ALA 63 9.443 -8.101 -0.791 512 3HB ALA 63 HMB ALA 63 9.984 -9.697 -1.368 513 H VAL 64 HN VAL 64 7.628 -10.119 2.519 514 HA VAL 64 HA VAL 64 7.123 -7.225 2.927 515 HB VAL 64 HB VAL 64 5.741 -8.904 1.336 516 1HG1 VAL 64 HMG VAL 64 4.180 -8.927 3.935 517 2HG1 VAL 64 HMG VAL 64 3.497 -9.281 2.330 518 3HG1 VAL 64 HMG VAL 64 4.777 -10.319 3.000 519 1HG2 VAL 64 HMG VAL 64 5.673 -6.313 1.880 520 2HG2 VAL 64 HMG VAL 64 4.418 -7.135 0.920 521 3HG2 VAL 64 HMG VAL 64 4.126 -6.764 2.636 522 H ARG 65 HN ARG 65 6.058 -10.379 4.279 523 HA ARG 65 HA ARG 65 6.430 -9.402 7.033 524 1HB ARG 65 HBR ARG 65 4.725 -11.194 6.247 525 2HB ARG 65 HBS ARG 65 6.134 -12.293 6.229 526 1HG ARG 65 HGS ARG 65 6.285 -12.364 8.497 527 2HG ARG 65 HGR ARG 65 5.706 -10.687 8.702 528 1HD ARG 65 HDS ARG 65 3.992 -11.980 9.561 529 2HD ARG 65 HDR ARG 65 3.446 -11.580 7.908 530 HE ARG 65 HE ARG 65 4.689 -13.975 7.560 531 1HH1 ARG 65 HH1 ARG 65 2.031 -12.816 9.566 532 2HH1 ARG 65 HH1 ARG 65 1.366 -14.399 9.790 533 1HH2 ARG 65 HH2 ARG 65 3.865 -16.043 7.984 534 2HH2 ARG 65 HH2 ARG 65 2.401 -16.226 8.892 535 H ARG 66 HN ARG 66 8.144 -11.058 4.478 536 HA ARG 66 HA ARG 66 10.471 -11.726 6.129 537 1HB ARG 66 HBS ARG 66 9.687 -11.992 3.285 538 2HB ARG 66 HBR ARG 66 11.415 -11.651 3.587 539 1HG ARG 66 HGS ARG 66 9.936 -13.886 4.991 540 2HG ARG 66 HGR ARG 66 10.714 -14.105 3.398 541 1HD ARG 66 HDS ARG 66 12.847 -13.548 4.281 542 2HD ARG 66 HDR ARG 66 12.132 -13.050 5.840 543 HE ARG 66 HE ARG 66 11.716 -15.843 5.023 544 1HH1 ARG 66 HH1 ARG 66 13.272 -13.514 7.163 545 2HH1 ARG 66 HH1 ARG 66 13.971 -14.740 8.167 546 1HH2 ARG 66 HH2 ARG 66 12.754 -17.418 6.281 547 2HH2 ARG 66 HH2 ARG 66 13.677 -16.949 7.670 548 H PHE 67 HN PHE 67 9.073 -8.953 4.708 549 HA PHE 67 HA PHE 67 11.273 -7.462 3.939 550 1HB PHE 67 HBS PHE 67 8.633 -6.894 3.997 551 2HB PHE 67 HBR PHE 67 9.162 -5.948 5.419 552 HD1 PHE 67 HD1 PHE 67 11.657 -4.943 4.835 553 HD2 PHE 67 HD2 PHE 67 8.388 -5.400 2.139 554 HE1 PHE 67 HE1 PHE 67 12.497 -3.046 3.526 555 HE2 PHE 67 HE2 PHE 67 9.193 -3.464 0.827 556 HZ PHE 67 HZ PHE 67 11.306 -2.346 1.484 557 H LYS 68 HN LYS 68 9.747 -7.572 7.168 558 HA LYS 68 HA LYS 68 10.653 -7.471 9.260 559 1HB LYS 68 HBR LYS 68 12.166 -9.168 8.297 560 2HB LYS 68 HBS LYS 68 13.279 -7.867 7.786 561 1HG LYS 68 HGR LYS 68 13.438 -7.202 10.233 562 2HG LYS 68 HGS LYS 68 12.569 -8.716 10.614 563 1HD LYS 68 HDS LYS 68 15.084 -8.724 8.970 564 2HD LYS 68 HDR LYS 68 15.140 -8.635 10.710 565 1HE LYS 68 HES LYS 68 14.815 -10.805 10.920 566 2HE LYS 68 HER LYS 68 13.317 -10.699 9.953 567 1HZ LYS 68 HZC LYS 68 16.014 -10.855 8.797 568 2HZ LYS 68 HZA LYS 68 15.031 -12.144 9.002 569 3HZ LYS 68 HZB LYS 68 14.593 -10.937 7.994 570 H LYS 69 HN LYS 69 13.434 -6.088 7.510 571 HA LYS 69 HA LYS 69 14.615 -4.147 7.824 572 1HB LYS 69 HBR LYS 69 11.978 -3.100 8.903 573 2HB LYS 69 HBS LYS 69 13.467 -2.130 8.717 574 1HG LYS 69 HGR LYS 69 13.295 -2.040 6.426 575 2HG LYS 69 HGS LYS 69 12.432 -3.601 6.318 576 1HD LYS 69 HDS LYS 69 10.452 -2.646 6.341 577 2HD LYS 69 HDR LYS 69 10.844 -1.722 7.765 578 1HE LYS 69 HES LYS 69 11.561 0.121 6.595 579 2HE LYS 69 HER LYS 69 11.930 -0.841 5.136 580 1HZ LYS 69 HZA LYS 69 9.395 -1.216 5.192 581 2HZ LYS 69 HZB LYS 69 9.368 0.159 6.072 582 3HZ LYS 69 HZC LYS 69 9.999 0.166 4.565 583 1H MET 1 HN MET 1 -12.965 -6.729 -5.509 584 2H MET 1 HNB MET 1 -13.347 -7.814 -6.669 585 3H MET 1 HNC MET 1 -11.906 -7.909 -5.906 586 HA MET 1 HA MET 1 -11.463 -7.040 -7.988 587 1HB MET 1 HBS MET 1 -13.973 -6.308 -8.133 588 2HB MET 1 HBR MET 1 -13.369 -4.767 -7.474 589 1HG MET 1 HGS MET 1 -13.240 -4.431 -9.808 590 2HG MET 1 HGR MET 1 -11.583 -4.883 -9.349 591 1HE MET 1 HME MET 1 -13.038 -4.976 -12.167 592 2HE MET 1 HME MET 1 -11.361 -5.579 -12.163 593 3HE MET 1 HME MET 1 -12.654 -6.548 -12.913 594 H GLU 2 HN GLU 2 -9.530 -6.792 -6.923 595 HA GLU 2 HA GLU 2 -9.206 -4.599 -5.016 596 1HB GLU 2 HBR GLU 2 -7.204 -6.614 -6.042 597 2HB GLU 2 HBS GLU 2 -7.061 -5.608 -4.706 598 1HG GLU 2 HGS GLU 2 -7.852 -7.149 -3.376 599 2HG GLU 2 HGR GLU 2 -9.467 -6.934 -4.102 600 H LEU 3 HN LEU 3 -6.633 -3.866 -5.273 601 HA LEU 3 HA LEU 3 -6.615 -1.879 -7.191 602 1HB LEU 3 HBR LEU 3 -4.127 -3.175 -6.081 603 2HB LEU 3 HBS LEU 3 -4.402 -1.461 -6.503 604 HG LEU 3 HG LEU 3 -5.554 -2.963 -4.138 605 1HD1 LEU 3 HMD LEU 3 -3.305 -1.029 -4.555 606 2HD1 LEU 3 HMD LEU 3 -4.257 -0.927 -3.053 607 3HD1 LEU 3 HMD LEU 3 -3.417 -2.441 -3.474 608 1HD2 LEU 3 HMD LEU 3 -6.648 -0.844 -5.579 609 2HD2 LEU 3 HMD LEU 3 -7.052 -1.318 -3.909 610 3HD2 LEU 3 HMD LEU 3 -5.824 -0.061 -4.207 611 HA PRO 4 HA PRO 4 -5.763 -4.118 -10.992 612 1HB PRO 4 HBR PRO 4 -5.890 -1.779 -12.337 613 2HB PRO 4 HBS PRO 4 -7.087 -2.899 -12.256 614 1HG PRO 4 HGS PRO 4 -6.913 -0.451 -10.928 615 2HG PRO 4 HGR PRO 4 -8.271 -1.370 -11.240 616 1HD PRO 4 HDS PRO 4 -7.114 -1.158 -8.849 617 2HD PRO 4 HDR PRO 4 -8.144 -2.376 -9.288 618 H ILE 5 HN ILE 5 -4.001 -4.436 -12.205 619 HA ILE 5 HA ILE 5 -1.642 -3.363 -10.841 620 HB ILE 5 HB ILE 5 -0.455 -5.224 -11.952 621 1HG1 ILE 5 HG1 ILE 5 -2.573 -6.744 -13.096 622 2HG1 ILE 5 HG1 ILE 5 -2.715 -5.082 -13.737 623 1HG2 ILE 5 HMG ILE 5 -3.041 -5.981 -10.590 624 2HG2 ILE 5 HMG ILE 5 -1.768 -7.159 -11.007 625 3HG2 ILE 5 HMG ILE 5 -1.413 -5.825 -9.878 626 1HD1 ILE 5 HMD ILE 5 -0.081 -6.552 -13.752 627 2HD1 ILE 5 HMD ILE 5 -1.290 -6.781 -15.044 628 3HD1 ILE 5 HMD ILE 5 -0.604 -5.162 -14.741 629 H ALA 6 HN ALA 6 -3.239 -1.810 -12.876 630 HA ALA 6 HA ALA 6 -1.220 -1.227 -14.930 631 1HB ALA 6 HMB ALA 6 -3.965 -0.316 -14.247 632 2HB ALA 6 HMB ALA 6 -2.883 0.880 -15.003 633 3HB ALA 6 HMB ALA 6 -3.222 -0.662 -15.829 634 HA PRO 7 HA PRO 7 -0.717 2.500 -11.875 635 1HB PRO 7 HBR PRO 7 -1.927 2.148 -9.505 636 2HB PRO 7 HBS PRO 7 -2.439 3.173 -10.682 637 1HG PRO 7 HGS PRO 7 -3.527 0.719 -9.929 638 2HG PRO 7 HGR PRO 7 -4.255 1.963 -10.770 639 1HD PRO 7 HDS PRO 7 -3.392 -0.337 -11.852 640 2HD PRO 7 HDR PRO 7 -3.787 1.027 -12.698 641 H ILE 8 HN ILE 8 -1.159 -0.472 -10.123 642 HA ILE 8 HA ILE 8 1.193 -0.230 -8.598 643 HB ILE 8 HB ILE 8 -0.383 -2.709 -9.448 644 1HG1 ILE 8 HG1 ILE 8 -0.531 -0.859 -7.044 645 2HG1 ILE 8 HG1 ILE 8 -1.776 -1.151 -8.290 646 1HG2 ILE 8 HMG ILE 8 1.895 -3.297 -8.701 647 2HG2 ILE 8 HMG ILE 8 1.577 -2.464 -7.156 648 3HG2 ILE 8 HMG ILE 8 0.621 -3.900 -7.608 649 1HD1 ILE 8 HMD ILE 8 -1.116 -3.648 -7.056 650 2HD1 ILE 8 HMD ILE 8 -1.442 -2.442 -5.782 651 3HD1 ILE 8 HMD ILE 8 -2.662 -2.759 -7.044 652 H GLY 9 HN GLY 9 0.752 -0.993 -11.912 653 1HA GLY 9 HAR GLY 9 2.724 -2.916 -12.379 654 2HA GLY 9 HAS GLY 9 2.135 -1.747 -13.590 655 H ARG 10 HN ARG 10 2.952 0.653 -12.534 656 HA ARG 10 HA ARG 10 5.736 0.527 -13.356 657 1HB ARG 10 HBR ARG 10 4.118 2.209 -14.227 658 2HB ARG 10 HBS ARG 10 4.067 2.946 -12.601 659 1HG ARG 10 HGS ARG 10 5.947 4.092 -12.965 660 2HG ARG 10 HGR ARG 10 6.798 2.646 -13.575 661 1HD ARG 10 HDS ARG 10 5.897 2.955 -15.757 662 2HD ARG 10 HDR ARG 10 4.828 4.265 -15.184 663 HE ARG 10 HE ARG 10 7.678 4.741 -14.779 664 1HH1 ARG 10 HH1 ARG 10 4.795 5.353 -16.714 665 2HH1 ARG 10 HH1 ARG 10 5.549 6.608 -17.638 666 1HH2 ARG 10 HH2 ARG 10 8.669 6.298 -16.094 667 2HH2 ARG 10 HH2 ARG 10 7.742 7.145 -17.287 668 H ILE 11 HN ILE 11 4.007 0.704 -10.395 669 HA ILE 11 HA ILE 11 5.965 1.941 -8.718 670 HB ILE 11 HB ILE 11 3.841 -0.181 -8.147 671 1HG1 ILE 11 HG1 ILE 11 3.887 2.846 -7.928 672 2HG1 ILE 11 HG1 ILE 11 2.849 1.829 -8.966 673 1HG2 ILE 11 HMG ILE 11 5.954 0.384 -6.499 674 2HG2 ILE 11 HMG ILE 11 4.696 1.497 -5.904 675 3HG2 ILE 11 HMG ILE 11 4.371 -0.254 -5.983 676 1HD1 ILE 11 HMD ILE 11 2.227 0.917 -6.451 677 2HD1 ILE 11 HMD ILE 11 2.508 2.656 -6.169 678 3HD1 ILE 11 HMD ILE 11 1.303 2.132 -7.375 679 H ILE 12 HN ILE 12 5.233 -1.536 -9.211 680 HA ILE 12 HA ILE 12 7.591 -2.474 -7.988 681 HB ILE 12 HB ILE 12 6.014 -3.905 -10.175 682 1HG1 ILE 12 HG1 ILE 12 4.369 -3.031 -8.703 683 2HG1 ILE 12 HG1 ILE 12 4.572 -4.757 -8.287 684 1HG2 ILE 12 HMG ILE 12 8.081 -4.712 -8.289 685 2HG2 ILE 12 HMG ILE 12 6.614 -5.720 -8.179 686 3HG2 ILE 12 HMG ILE 12 7.456 -5.537 -9.741 687 1HD1 ILE 12 HMD ILE 12 6.160 -2.742 -6.755 688 2HD1 ILE 12 HMD ILE 12 4.412 -2.873 -6.429 689 3HD1 ILE 12 HMD ILE 12 5.464 -4.299 -6.234 690 H LYS 13 HN LYS 13 6.922 -1.409 -11.269 691 HA LYS 13 HA LYS 13 9.330 -2.482 -12.492 692 1HB LYS 13 HBR LYS 13 7.219 -0.488 -13.255 693 2HB LYS 13 HBS LYS 13 8.787 -0.479 -14.110 694 1HG LYS 13 HGR LYS 13 7.153 -3.013 -13.812 695 2HG LYS 13 HGS LYS 13 6.851 -1.849 -15.134 696 1HD LYS 13 HDS LYS 13 9.210 -2.054 -15.823 697 2HD LYS 13 HDR LYS 13 9.463 -3.228 -14.561 698 1HE LYS 13 HES LYS 13 8.987 -4.776 -16.070 699 2HE LYS 13 HER LYS 13 7.289 -4.264 -15.856 700 1HZ LYS 13 HZA LYS 13 8.229 -2.490 -17.608 701 2HZ LYS 13 HZB LYS 13 9.053 -3.826 -18.058 702 3HZ LYS 13 HZC LYS 13 7.421 -3.849 -18.014 703 H ASP 14 HN ASP 14 8.295 0.603 -11.032 704 HA ASP 14 HA ASP 14 10.595 2.011 -11.299 705 1HB ASP 14 HBS ASP 14 8.423 2.800 -10.362 706 2HB ASP 14 HBR ASP 14 8.921 2.089 -8.799 707 H ALA 15 HN ALA 15 9.902 -0.429 -8.844 708 HA ALA 15 HA ALA 15 12.295 -0.502 -7.471 709 1HB ALA 15 HMB ALA 15 10.171 -1.975 -7.307 710 2HB ALA 15 HMB ALA 15 11.017 -3.036 -8.462 711 3HB ALA 15 HMB ALA 15 11.752 -2.676 -6.879 712 H GLY 16 HN GLY 16 11.574 -1.955 -10.646 713 1HA GLY 16 HAR GLY 16 13.490 -2.221 -12.235 714 2HA GLY 16 HAS GLY 16 14.431 -2.828 -10.847 715 H ALA 17 HN ALA 17 11.021 -3.568 -11.218 716 HA ALA 17 HA ALA 17 11.408 -6.349 -11.190 717 1HB ALA 17 HMB ALA 17 9.365 -5.010 -10.524 718 2HB ALA 17 HMB ALA 17 8.957 -4.940 -12.258 719 3HB ALA 17 HMB ALA 17 9.067 -6.515 -11.431 720 H GLU 18 HN GLU 18 11.013 -7.949 -12.745 721 HA GLU 18 HA GLU 18 10.786 -7.153 -15.598 722 1HB GLU 18 HBR GLU 18 13.164 -7.193 -14.871 723 2HB GLU 18 HBS GLU 18 12.940 -8.746 -14.277 724 1HG GLU 18 HGS GLU 18 12.935 -9.831 -16.243 725 2HG GLU 18 HGR GLU 18 12.264 -8.473 -17.186 726 H ARG 19 HN ARG 19 8.812 -8.129 -15.750 727 HA ARG 19 HA ARG 19 7.374 -9.848 -16.254 728 1HB ARG 19 HBR ARG 19 9.308 -10.926 -17.411 729 2HB ARG 19 HBS ARG 19 9.720 -11.735 -15.872 730 1HG ARG 19 HGS ARG 19 8.533 -13.318 -17.187 731 2HG ARG 19 HGR ARG 19 7.408 -12.758 -15.918 732 1HD ARG 19 HDS ARG 19 6.563 -11.083 -17.610 733 2HD ARG 19 HDR ARG 19 7.488 -12.003 -18.830 734 HE ARG 19 HE ARG 19 4.976 -12.750 -17.633 735 1HH1 ARG 19 HH1 ARG 19 7.870 -13.921 -19.273 736 2HH1 ARG 19 HH1 ARG 19 7.178 -15.470 -19.620 737 1HH2 ARG 19 HH2 ARG 19 4.154 -14.833 -17.990 738 2HH2 ARG 19 HH2 ARG 19 5.075 -15.986 -18.895 739 H VAL 20 HN VAL 20 5.908 -10.695 -14.952 740 HA VAL 20 HA VAL 20 6.803 -11.815 -12.354 741 HB VAL 20 HB VAL 20 4.161 -10.414 -12.761 742 1HG1 VAL 20 HMG VAL 20 5.420 -11.868 -10.546 743 2HG1 VAL 20 HMG VAL 20 4.780 -10.271 -10.093 744 3HG1 VAL 20 HMG VAL 20 3.710 -11.476 -10.849 745 1HG2 VAL 20 HMG VAL 20 6.673 -9.163 -12.662 746 2HG2 VAL 20 HMG VAL 20 5.066 -8.414 -12.500 747 3HG2 VAL 20 HMG VAL 20 5.951 -8.947 -11.049 748 H SER 21 HN SER 21 5.217 -13.395 -11.481 749 HA SER 21 HA SER 21 4.544 -15.271 -13.665 750 1HB SER 21 HBS SER 21 4.525 -16.981 -12.109 751 2HB SER 21 HBR SER 21 5.896 -15.949 -11.608 752 HG SER 21 HG SER 21 4.759 -15.032 -9.977 753 H ASP 22 HN ASP 22 3.091 -12.862 -11.818 754 HA ASP 22 HA ASP 22 0.940 -12.288 -11.335 755 1HB ASP 22 HBS ASP 22 0.473 -14.261 -13.386 756 2HB ASP 22 HBR ASP 22 -0.740 -14.382 -12.079 757 H ASP 23 HN ASP 23 -0.831 -13.127 -9.869 758 HA ASP 23 HA ASP 23 -1.270 -13.783 -7.739 759 1HB ASP 23 HBS ASP 23 0.280 -16.000 -8.654 760 2HB ASP 23 HBR ASP 23 0.752 -15.585 -6.981 761 H ALA 24 HN ALA 24 2.279 -13.768 -8.246 762 HA ALA 24 HA ALA 24 2.987 -12.289 -6.033 763 1HB ALA 24 HMB ALA 24 4.269 -13.268 -8.240 764 2HB ALA 24 HMB ALA 24 4.435 -11.509 -8.466 765 3HB ALA 24 HMB ALA 24 5.014 -12.272 -6.964 766 H ARG 25 HN ARG 25 1.958 -11.055 -9.220 767 HA ARG 25 HA ARG 25 2.430 -8.333 -8.631 768 1HB ARG 25 HBR ARG 25 2.196 -9.288 -10.910 769 2HB ARG 25 HBS ARG 25 0.442 -9.474 -10.621 770 1HG ARG 25 HGS ARG 25 0.937 -7.479 -11.960 771 2HG ARG 25 HGR ARG 25 0.206 -7.053 -10.387 772 1HD ARG 25 HDS ARG 25 1.923 -5.533 -10.597 773 2HD ARG 25 HDR ARG 25 2.636 -6.817 -9.579 774 HE ARG 25 HE ARG 25 4.005 -7.468 -11.385 775 1HH1 ARG 25 HH1 ARG 25 1.705 -5.017 -12.445 776 2HH1 ARG 25 HH1 ARG 25 2.670 -4.542 -13.803 777 1HH2 ARG 25 HH2 ARG 25 5.301 -6.730 -13.092 778 2HH2 ARG 25 HH2 ARG 25 4.706 -5.511 -14.169 779 H ILE 26 HN ILE 26 -0.084 -10.447 -7.648 780 HA ILE 26 HA ILE 26 -1.944 -8.187 -7.173 781 HB ILE 26 HB ILE 26 -2.498 -11.185 -7.412 782 1HG1 ILE 26 HG1 ILE 26 -3.191 -9.108 -9.497 783 2HG1 ILE 26 HG1 ILE 26 -1.566 -9.848 -9.441 784 1HG2 ILE 26 HMG ILE 26 -4.105 -9.304 -6.245 785 2HG2 ILE 26 HMG ILE 26 -4.694 -9.313 -7.929 786 3HG2 ILE 26 HMG ILE 26 -4.658 -10.828 -6.989 787 1HD1 ILE 26 HMD ILE 26 -3.546 -11.921 -9.301 788 2HD1 ILE 26 HMD ILE 26 -3.912 -10.845 -10.676 789 3HD1 ILE 26 HMD ILE 26 -2.309 -11.620 -10.552 790 H THR 27 HN THR 27 -0.117 -10.722 -5.637 791 HA THR 27 HA THR 27 -1.624 -10.934 -3.190 792 HB THR 27 HB THR 27 1.303 -11.582 -3.848 793 HG1 THR 27 HG1 THR 27 0.272 -12.736 -4.830 794 1HG2 THR 27 HMG THR 27 1.084 -11.185 -1.437 795 2HG2 THR 27 HMG THR 27 -0.266 -12.346 -1.371 796 3HG2 THR 27 HMG THR 27 1.370 -12.906 -1.802 797 H LEU 28 HN LEU 28 1.214 -9.040 -4.235 798 HA LEU 28 HA LEU 28 1.545 -7.465 -1.947 799 1HB LEU 28 HBR LEU 28 2.676 -7.744 -4.396 800 2HB LEU 28 HBS LEU 28 1.822 -6.197 -4.622 801 HG LEU 28 HG LEU 28 3.227 -5.039 -3.261 802 1HD1 LEU 28 HMD LEU 28 2.907 -6.515 -1.254 803 2HD1 LEU 28 HMD LEU 28 4.192 -7.569 -1.894 804 3HD1 LEU 28 HMD LEU 28 4.557 -5.879 -1.466 805 1HD2 LEU 28 HMD LEU 28 4.485 -7.202 -4.799 806 2HD2 LEU 28 HMD LEU 28 4.785 -5.445 -4.806 807 3HD2 LEU 28 HMD LEU 28 5.541 -6.474 -3.562 808 H ALA 29 HN ALA 29 -0.451 -6.775 -4.836 809 HA ALA 29 HA ALA 29 -1.780 -4.566 -3.932 810 1HB ALA 29 HMB ALA 29 -2.020 -6.343 -6.063 811 2HB ALA 29 HMB ALA 29 -3.629 -6.336 -5.297 812 3HB ALA 29 HMB ALA 29 -2.891 -4.805 -5.831 813 H LYS 30 HN LYS 30 -2.009 -7.735 -2.647 814 HA LYS 30 HA LYS 30 -4.577 -7.165 -1.314 815 1HB LYS 30 HBR LYS 30 -3.033 -9.569 -2.069 816 2HB LYS 30 HBS LYS 30 -3.816 -9.645 -0.464 817 1HG LYS 30 HGR LYS 30 -5.264 -8.937 -3.043 818 2HG LYS 30 HGS LYS 30 -5.198 -10.580 -2.344 819 1HD LYS 30 HDS LYS 30 -6.008 -8.829 -0.277 820 2HD LYS 30 HDR LYS 30 -6.905 -8.369 -1.698 821 1HE LYS 30 HES LYS 30 -8.091 -10.035 -0.348 822 2HE LYS 30 HER LYS 30 -7.739 -10.588 -2.010 823 1HZ LYS 30 HZC LYS 30 -5.668 -11.559 -0.861 824 2HZ LYS 30 HZA LYS 30 -6.566 -11.466 0.499 825 3HZ LYS 30 HZB LYS 30 -7.091 -12.353 -0.768 826 H ILE 31 HN ILE 31 -1.149 -7.579 -0.646 827 HA ILE 31 HA ILE 31 -1.325 -7.289 2.237 828 HB ILE 31 HB ILE 31 0.834 -6.945 0.126 829 1HG1 ILE 31 HG1 ILE 31 1.814 -8.672 1.952 830 2HG1 ILE 31 HG1 ILE 31 0.063 -8.915 2.219 831 1HG2 ILE 31 HMG ILE 31 0.844 -5.439 2.504 832 2HG2 ILE 31 HMG ILE 31 1.978 -6.793 2.755 833 3HG2 ILE 31 HMG ILE 31 2.181 -5.707 1.355 834 1HD1 ILE 31 HMD ILE 31 0.974 -8.924 -0.606 835 2HD1 ILE 31 HMD ILE 31 1.508 -10.295 0.401 836 3HD1 ILE 31 HMD ILE 31 -0.231 -9.945 0.221 837 H LEU 32 HN LEU 32 -0.160 -4.962 -0.217 838 HA LEU 32 HA LEU 32 -0.104 -2.848 1.526 839 1HB LEU 32 HBR LEU 32 0.573 -3.415 -1.079 840 2HB LEU 32 HBS LEU 32 -0.625 -2.104 -1.266 841 HG LEU 32 HG LEU 32 1.215 -1.325 0.766 842 1HD1 LEU 32 HMD LEU 32 2.664 -3.076 -0.393 843 2HD1 LEU 32 HMD LEU 32 2.623 -2.010 -1.821 844 3HD1 LEU 32 HMD LEU 32 3.323 -1.424 -0.291 845 1HD2 LEU 32 HMD LEU 32 -0.030 -0.400 -1.645 846 2HD2 LEU 32 HMD LEU 32 0.708 0.544 -0.325 847 3HD2 LEU 32 HMD LEU 32 1.705 0.004 -1.699 848 H GLU 33 HN GLU 33 -2.703 -3.675 -0.763 849 HA GLU 33 HA GLU 33 -4.292 -1.408 -0.317 850 1HB GLU 33 HBR GLU 33 -4.393 -3.167 -2.123 851 2HB GLU 33 HBS GLU 33 -5.048 -4.221 -0.993 852 1HG GLU 33 HGS GLU 33 -6.804 -2.260 -0.598 853 2HG GLU 33 HGR GLU 33 -6.476 -1.945 -2.324 854 H GLU 34 HN GLU 34 -3.898 -4.328 1.566 855 HA GLU 34 HA GLU 34 -6.238 -4.052 3.157 856 1HB GLU 34 HBR GLU 34 -4.059 -5.790 2.806 857 2HB GLU 34 HBS GLU 34 -3.887 -5.223 4.377 858 1HG GLU 34 HGS GLU 34 -6.004 -5.931 5.129 859 2HG GLU 34 HGR GLU 34 -6.556 -6.398 3.497 860 H MET 35 HN MET 35 -2.806 -3.381 3.984 861 HA MET 35 HA MET 35 -3.409 -1.956 6.346 862 1HB MET 35 HBS MET 35 -1.200 -3.034 5.597 863 2HB MET 35 HBR MET 35 -0.903 -1.500 4.731 864 1HG MET 35 HGS MET 35 -1.233 -0.264 6.880 865 2HG MET 35 HGR MET 35 -1.446 -1.826 7.709 866 1HE MET 35 HME MET 35 0.098 -1.725 9.203 867 2HE MET 35 HME MET 35 1.768 -2.311 8.994 868 3HE MET 35 HME MET 35 1.439 -0.561 9.050 869 H GLY 36 HN GLY 36 -3.160 -0.956 2.991 870 1HA GLY 36 HAR GLY 36 -3.365 1.887 3.380 871 2HA GLY 36 HAS GLY 36 -3.850 0.970 1.928 872 H ARG 37 HN ARG 37 -5.642 -0.825 3.332 873 HA ARG 37 HA ARG 37 -7.981 0.867 3.628 874 1HB ARG 37 HBR ARG 37 -7.415 -2.060 3.568 875 2HB ARG 37 HBS ARG 37 -8.877 -1.519 4.443 876 1HG ARG 37 HGS ARG 37 -9.958 -0.915 2.542 877 2HG ARG 37 HGR ARG 37 -8.461 -0.387 1.724 878 1HD ARG 37 HDS ARG 37 -9.639 -2.434 0.804 879 2HD ARG 37 HDR ARG 37 -7.887 -2.564 1.122 880 HE ARG 37 HE ARG 37 -8.421 -4.328 2.480 881 1HH1 ARG 37 HH1 ARG 37 -11.221 -2.188 2.384 882 2HH1 ARG 37 HH1 ARG 37 -12.071 -3.067 3.612 883 1HH2 ARG 37 HH2 ARG 37 -9.511 -5.380 4.166 884 2HH2 ARG 37 HH2 ARG 37 -11.106 -4.876 4.617 885 H ASP 38 HN ASP 38 -5.549 -0.421 5.698 886 HA ASP 38 HA ASP 38 -7.293 -0.485 8.025 887 1HB ASP 38 HBS ASP 38 -5.177 -2.010 7.228 888 2HB ASP 38 HBR ASP 38 -4.451 -0.974 8.490 889 H ILE 39 HN ILE 39 -4.635 1.466 6.782 890 HA ILE 39 HA ILE 39 -4.457 3.296 8.997 891 HB ILE 39 HB ILE 39 -3.937 3.780 6.022 892 1HG1 ILE 39 HG1 ILE 39 -1.797 3.075 8.028 893 2HG1 ILE 39 HG1 ILE 39 -2.784 1.790 7.275 894 1HG2 ILE 39 HMG ILE 39 -4.103 5.808 7.489 895 2HG2 ILE 39 HMG ILE 39 -2.688 5.191 8.382 896 3HG2 ILE 39 HMG ILE 39 -2.544 5.595 6.652 897 1HD1 ILE 39 HMD ILE 39 -1.385 3.843 5.574 898 2HD1 ILE 39 HMD ILE 39 -0.503 2.432 6.217 899 3HD1 ILE 39 HMD ILE 39 -1.917 2.193 5.156 900 H ALA 40 HN ALA 40 -6.791 2.654 6.533 901 HA ALA 40 HA ALA 40 -7.909 5.338 6.340 902 1HB ALA 40 HMB ALA 40 -8.079 3.715 4.505 903 2HB ALA 40 HMB ALA 40 -9.057 2.647 5.544 904 3HB ALA 40 HMB ALA 40 -9.677 4.253 5.081 905 H SER 41 HN SER 41 -8.950 2.229 7.796 906 HA SER 41 HA SER 41 -11.261 3.379 9.118 907 1HB SER 41 HBS SER 41 -9.800 0.749 9.399 908 2HB SER 41 HBR SER 41 -11.196 1.212 10.415 909 HG SER 41 HG SER 41 -10.998 0.193 7.870 910 H GLU 42 HN GLU 42 -7.880 3.335 9.648 911 HA GLU 42 HA GLU 42 -7.938 3.915 12.486 912 1HB GLU 42 HBR GLU 42 -5.990 4.175 10.213 913 2HB GLU 42 HBS GLU 42 -5.714 5.002 11.647 914 1HG GLU 42 HGS GLU 42 -5.836 2.038 11.300 915 2HG GLU 42 HGR GLU 42 -4.489 2.971 12.008 916 H ALA 43 HN ALA 43 -7.733 5.853 9.484 917 HA ALA 43 HA ALA 43 -7.590 8.394 10.933 918 1HB ALA 43 HMB ALA 43 -6.594 7.768 8.605 919 2HB ALA 43 HMB ALA 43 -8.241 8.116 8.017 920 3HB ALA 43 HMB ALA 43 -7.313 9.377 8.869 921 H ILE 44 HN ILE 44 -9.967 6.341 9.329 922 HA ILE 44 HA ILE 44 -12.258 8.041 9.668 923 HB ILE 44 HB ILE 44 -11.904 5.011 9.519 924 1HG1 ILE 44 HG1 ILE 44 -13.117 6.828 7.426 925 2HG1 ILE 44 HG1 ILE 44 -11.348 6.624 7.572 926 1HG2 ILE 44 HMG ILE 44 -14.149 6.290 10.538 927 2HG2 ILE 44 HMG ILE 44 -14.563 5.953 8.835 928 3HG2 ILE 44 HMG ILE 44 -14.051 4.624 9.909 929 1HD1 ILE 44 HMD ILE 44 -12.038 4.045 7.493 930 2HD1 ILE 44 HMD ILE 44 -13.430 4.721 6.606 931 3HD1 ILE 44 HMD ILE 44 -11.771 5.013 6.019 932 H LYS 45 HN LYS 45 -10.970 5.335 11.641 933 HA LYS 45 HA LYS 45 -12.438 5.750 13.925 934 1HB LYS 45 HBR LYS 45 -9.721 4.631 13.400 935 2HB LYS 45 HBS LYS 45 -10.155 5.005 15.091 936 1HG LYS 45 HGR LYS 45 -12.386 3.645 14.104 937 2HG LYS 45 HGS LYS 45 -10.997 2.784 13.382 938 1HD LYS 45 HDS LYS 45 -11.386 1.663 15.368 939 2HD LYS 45 HDR LYS 45 -9.985 2.662 15.644 940 1HE LYS 45 HES LYS 45 -10.983 3.947 17.192 941 2HE LYS 45 HER LYS 45 -12.556 3.905 16.347 942 1HZ LYS 45 HZA LYS 45 -11.710 1.405 17.449 943 2HZ LYS 45 HZB LYS 45 -12.004 2.558 18.567 944 3HZ LYS 45 HZC LYS 45 -13.171 2.133 17.505 945 H LEU 46 HN LEU 46 -9.735 7.628 12.735 946 HA LEU 46 HA LEU 46 -9.049 8.913 15.245 947 1HB LEU 46 HBR LEU 46 -8.402 9.273 12.328 948 2HB LEU 46 HBS LEU 46 -7.943 10.515 13.527 949 HG LEU 46 HG LEU 46 -7.113 7.626 13.798 950 1HD1 LEU 46 HMD LEU 46 -6.325 9.391 11.737 951 2HD1 LEU 46 HMD LEU 46 -4.997 9.378 12.924 952 3HD1 LEU 46 HMD LEU 46 -5.568 7.849 12.210 953 1HD2 LEU 46 HMD LEU 46 -6.493 10.277 15.049 954 2HD2 LEU 46 HMD LEU 46 -6.746 8.684 15.807 955 3HD2 LEU 46 HMD LEU 46 -5.212 9.041 14.972 956 H ALA 47 HN ALA 47 -10.918 9.807 12.330 957 HA ALA 47 HA ALA 47 -11.556 12.416 13.128 958 1HB ALA 47 HMB ALA 47 -12.557 10.463 11.137 959 2HB ALA 47 HMB ALA 47 -13.665 11.787 11.575 960 3HB ALA 47 HMB ALA 47 -12.039 12.157 10.946 961 H ARG 48 HN ARG 48 -12.734 9.401 14.279 962 HA ARG 48 HA ARG 48 -15.253 10.523 15.353 963 1HB ARG 48 HBR ARG 48 -14.328 7.889 14.704 964 2HB ARG 48 HBS ARG 48 -14.669 7.967 16.457 965 1HG ARG 48 HGS ARG 48 -16.801 7.574 15.935 966 2HG ARG 48 HGR ARG 48 -16.852 9.239 15.292 967 1HD ARG 48 HDS ARG 48 -16.032 8.308 13.116 968 2HD ARG 48 HDR ARG 48 -16.295 6.680 13.802 969 HE ARG 48 HE ARG 48 -18.701 7.915 14.189 970 1HH1 ARG 48 HH1 ARG 48 -16.626 7.828 11.340 971 2HH1 ARG 48 HH1 ARG 48 -17.957 7.704 10.239 972 1HH2 ARG 48 HH2 ARG 48 -20.409 7.622 12.727 973 2HH2 ARG 48 HH2 ARG 48 -20.098 7.589 11.024 974 H HIS 49 HN HIS 49 -11.936 10.025 16.134 975 HA HIS 49 HA HIS 49 -12.095 10.239 19.003 976 1HB HIS 49 HBS HIS 49 -9.985 9.644 17.676 977 2HB HIS 49 HBR HIS 49 -9.869 11.382 17.276 978 HD1 HIS 49 HD1 HIS 49 -9.062 12.978 19.179 979 HD2 HIS 49 HD2 HIS 49 -9.523 9.012 20.366 980 HE1 HIS 49 HE1 HIS 49 -7.892 12.761 21.384 981 HE2 HIS 49 HE2 HIS 49 -8.147 10.357 22.097 982 H ALA 50 HN ALA 50 -12.113 12.505 16.282 983 HA ALA 50 HA ALA 50 -12.573 14.846 17.993 984 1HB ALA 50 HMB ALA 50 -12.300 14.268 15.107 985 2HB ALA 50 HMB ALA 50 -13.467 15.547 15.531 986 3HB ALA 50 HMB ALA 50 -11.772 15.676 16.065 987 H GLY 51 HN GLY 51 -14.440 12.698 15.826 988 1HA GLY 51 HAR GLY 51 -16.373 11.595 16.832 989 2HA GLY 51 HAS GLY 51 -16.783 13.136 17.628 990 H ARG 52 HN ARG 52 -15.684 13.910 14.582 991 HA ARG 52 HA ARG 52 -17.727 13.476 12.847 992 1HB ARG 52 HBR ARG 52 -19.084 15.593 12.969 993 2HB ARG 52 HBS ARG 52 -19.416 14.370 14.229 994 1HG ARG 52 HGS ARG 52 -18.160 15.661 15.861 995 2HG ARG 52 HGR ARG 52 -17.709 16.853 14.609 996 1HD ARG 52 HDS ARG 52 -20.594 16.288 14.951 997 2HD ARG 52 HDR ARG 52 -19.776 17.158 16.278 998 HE ARG 52 HE ARG 52 -19.356 18.964 14.813 999 1HH1 ARG 52 HH1 ARG 52 -20.764 16.266 13.032 1000 2HH1 ARG 52 HH1 ARG 52 -21.336 17.273 11.744 1001 1HH2 ARG 52 HH2 ARG 52 -20.232 20.264 13.175 1002 2HH2 ARG 52 HH2 ARG 52 -21.035 19.536 11.824 1003 H LYS 53 HN LYS 53 -16.136 13.680 11.380 1004 HA LYS 53 HA LYS 53 -16.098 16.071 10.007 1005 1HB LYS 53 HBR LYS 53 -13.540 16.532 10.195 1006 2HB LYS 53 HBS LYS 53 -14.674 17.249 11.373 1007 1HG LYS 53 HGR LYS 53 -13.850 16.034 13.115 1008 2HG LYS 53 HGS LYS 53 -13.505 14.605 12.099 1009 1HD LYS 53 HDS LYS 53 -11.472 15.599 12.998 1010 2HD LYS 53 HDR LYS 53 -11.526 15.546 11.258 1011 1HE LYS 53 HES LYS 53 -10.790 17.654 11.420 1012 2HE LYS 53 HER LYS 53 -12.534 17.994 11.610 1013 1HZ LYS 53 HZC LYS 53 -12.030 17.647 14.063 1014 2HZ LYS 53 HZA LYS 53 -10.464 17.883 13.664 1015 3HZ LYS 53 HZB LYS 53 -11.565 19.054 13.376 1016 H THR 54 HN THR 54 -14.772 16.009 8.089 1017 HA THR 54 HA THR 54 -14.171 13.350 7.082 1018 HB THR 54 HB THR 54 -13.642 16.149 5.938 1019 HG1 THR 54 HG1 THR 54 -15.477 15.856 6.012 1020 1HG2 THR 54 HMG THR 54 -13.276 13.457 4.597 1021 2HG2 THR 54 HMG THR 54 -13.231 15.039 3.779 1022 3HG2 THR 54 HMG THR 54 -11.995 14.629 4.996 1023 H ILE 55 HN ILE 55 -12.060 12.747 6.288 1024 HA ILE 55 HA ILE 55 -10.182 13.081 8.482 1025 HB ILE 55 HB ILE 55 -10.190 11.270 6.019 1026 1HG1 ILE 55 HG1 ILE 55 -10.700 10.494 8.906 1027 2HG1 ILE 55 HG1 ILE 55 -12.000 11.073 7.828 1028 1HG2 ILE 55 HMG ILE 55 -7.896 11.684 6.862 1029 2HG2 ILE 55 HMG ILE 55 -8.403 11.050 8.450 1030 3HG2 ILE 55 HMG ILE 55 -8.422 9.988 7.018 1031 1HD1 ILE 55 HMD ILE 55 -11.136 9.181 6.238 1032 2HD1 ILE 55 HMD ILE 55 -10.433 8.514 7.737 1033 3HD1 ILE 55 HMD ILE 55 -12.193 8.784 7.619 1034 H LYS 56 HN LYS 56 -8.197 13.943 8.449 1035 HA LYS 56 HA LYS 56 -7.405 15.409 5.976 1036 1HB LYS 56 HBR LYS 56 -8.178 16.597 8.395 1037 2HB LYS 56 HBS LYS 56 -6.391 16.624 8.410 1038 1HG LYS 56 HGR LYS 56 -6.829 17.489 5.887 1039 2HG LYS 56 HGS LYS 56 -8.323 18.083 6.668 1040 1HD LYS 56 HDS LYS 56 -5.472 18.741 7.388 1041 2HD LYS 56 HDR LYS 56 -6.677 19.790 6.695 1042 1HE LYS 56 HES LYS 56 -8.068 19.427 8.776 1043 2HE LYS 56 HER LYS 56 -6.613 18.658 9.469 1044 1HZ LYS 56 HZB LYS 56 -5.623 20.917 8.537 1045 2HZ LYS 56 HZC LYS 56 -7.129 21.427 8.914 1046 3HZ LYS 56 HZA LYS 56 -6.186 20.747 10.061 1047 H ALA 57 HN ALA 57 -5.010 16.248 6.492 1048 HA ALA 57 HA ALA 57 -3.533 13.813 6.278 1049 1HB ALA 57 HMB ALA 57 -3.173 16.624 5.710 1050 2HB ALA 57 HMB ALA 57 -1.716 15.936 6.468 1051 3HB ALA 57 HMB ALA 57 -2.384 15.199 4.991 1052 H GLU 58 HN GLU 58 -3.960 16.213 8.813 1053 HA GLU 58 HA GLU 58 -1.945 15.247 10.647 1054 1HB GLU 58 HBR GLU 58 -4.597 16.666 10.951 1055 2HB GLU 58 HBS GLU 58 -3.638 16.210 12.251 1056 1HG GLU 58 HGS GLU 58 -3.389 18.621 11.335 1057 2HG GLU 58 HGR GLU 58 -1.929 17.769 11.906 1058 H ASP 59 HN ASP 59 -4.929 14.044 9.403 1059 HA ASP 59 HA ASP 59 -5.279 12.183 11.608 1060 1HB ASP 59 HBS ASP 59 -6.928 13.287 9.545 1061 2HB ASP 59 HBR ASP 59 -7.040 11.504 9.535 1062 H ILE 60 HN ILE 60 -4.482 11.975 8.142 1063 HA ILE 60 HA ILE 60 -4.026 9.232 8.011 1064 HB ILE 60 HB ILE 60 -2.570 11.470 6.518 1065 1HG1 ILE 60 HG1 ILE 60 -4.926 11.763 6.290 1066 2HG1 ILE 60 HG1 ILE 60 -4.317 11.061 4.765 1067 1HG2 ILE 60 HMG ILE 60 -2.781 8.514 5.974 1068 2HG2 ILE 60 HMG ILE 60 -2.429 9.700 4.689 1069 3HG2 ILE 60 HMG ILE 60 -1.325 9.537 6.081 1070 1HD1 ILE 60 HMD ILE 60 -5.044 8.794 5.769 1071 2HD1 ILE 60 HMD ILE 60 -5.995 9.778 6.913 1072 3HD1 ILE 60 HMD ILE 60 -6.301 9.904 5.160 1073 H GLU 61 HN GLU 61 -1.921 11.818 9.187 1074 HA GLU 61 HA GLU 61 0.409 10.147 9.304 1075 1HB GLU 61 HBR GLU 61 -0.426 12.911 9.839 1076 2HB GLU 61 HBS GLU 61 0.701 12.356 10.951 1077 1HG GLU 61 HGS GLU 61 2.192 11.552 9.117 1078 2HG GLU 61 HGR GLU 61 1.183 12.443 7.946 1079 H LEU 62 HN LEU 62 -2.229 10.814 11.461 1080 HA LEU 62 HA LEU 62 -0.899 9.145 13.541 1081 1HB LEU 62 HBR LEU 62 -1.660 11.425 14.206 1082 2HB LEU 62 HBS LEU 62 -3.331 10.933 13.811 1083 HG LEU 62 HG LEU 62 -3.129 9.150 15.557 1084 1HD1 LEU 62 HMD LEU 62 -0.418 9.900 15.499 1085 2HD1 LEU 62 HMD LEU 62 -1.052 10.504 17.051 1086 3HD1 LEU 62 HMD LEU 62 -1.211 8.779 16.635 1087 1HD2 LEU 62 HMD LEU 62 -3.713 11.857 15.697 1088 2HD2 LEU 62 HMD LEU 62 -4.112 10.627 16.925 1089 3HD2 LEU 62 HMD LEU 62 -2.624 11.595 17.083 1090 H ALA 63 HN ALA 63 -2.311 8.590 10.858 1091 HA ALA 63 HA ALA 63 -4.051 6.433 11.963 1092 1HB ALA 63 HMB ALA 63 -5.011 8.053 10.211 1093 2HB ALA 63 HMB ALA 63 -3.936 7.222 9.058 1094 3HB ALA 63 HMB ALA 63 -5.184 6.301 9.934 1095 H VAL 64 HN VAL 64 -1.088 7.326 10.479 1096 HA VAL 64 HA VAL 64 -0.652 4.535 9.611 1097 HB VAL 64 HB VAL 64 -0.849 6.793 8.170 1098 1HG1 VAL 64 HMG VAL 64 2.103 6.530 8.717 1099 2HG1 VAL 64 HMG VAL 64 1.493 7.144 7.162 1100 3HG1 VAL 64 HMG VAL 64 1.072 7.980 8.676 1101 1HG2 VAL 64 HMG VAL 64 -0.371 4.125 7.706 1102 2HG2 VAL 64 HMG VAL 64 -0.691 5.379 6.485 1103 3HG2 VAL 64 HMG VAL 64 0.985 4.922 6.873 1104 H ARG 65 HN ARG 65 1.351 7.350 10.581 1105 HA ARG 65 HA ARG 65 3.526 5.799 11.619 1106 1HB ARG 65 HBR ARG 65 2.989 8.505 11.229 1107 2HB ARG 65 HBS ARG 65 3.075 8.324 13.005 1108 1HG ARG 65 HGS ARG 65 5.249 8.937 12.041 1109 2HG ARG 65 HGR ARG 65 5.297 7.326 12.813 1110 1HD ARG 65 HDS ARG 65 6.218 6.629 10.926 1111 2HD ARG 65 HDR ARG 65 4.575 6.744 10.235 1112 HE ARG 65 HE ARG 65 5.506 9.252 9.860 1113 1HH1 ARG 65 HH1 ARG 65 6.694 6.053 8.981 1114 2HH1 ARG 65 HH1 ARG 65 7.703 6.657 7.710 1115 1HH2 ARG 65 HH2 ARG 65 6.934 10.019 8.276 1116 2HH2 ARG 65 HH2 ARG 65 7.838 8.901 7.308 1117 H ARG 66 HN ARG 66 0.331 6.406 12.707 1118 HA ARG 66 HA ARG 66 0.832 5.963 15.499 1119 1HB ARG 66 HBR ARG 66 -1.116 7.206 14.717 1120 2HB ARG 66 HBS ARG 66 -1.738 5.745 13.897 1121 1HG ARG 66 HGS ARG 66 -2.881 6.219 16.044 1122 2HG ARG 66 HGR ARG 66 -2.060 4.633 16.024 1123 1HD ARG 66 HDS ARG 66 -0.237 6.626 16.944 1124 2HD ARG 66 HDR ARG 66 -1.766 6.759 17.859 1125 HE ARG 66 HE ARG 66 -1.055 4.032 17.727 1126 1HH1 ARG 66 HH1 ARG 66 -0.166 7.037 19.341 1127 2HH1 ARG 66 HH1 ARG 66 0.676 6.228 20.620 1128 1HH2 ARG 66 HH2 ARG 66 0.165 3.015 19.344 1129 2HH2 ARG 66 HH2 ARG 66 0.863 3.952 20.623 1130 H PHE 67 HN PHE 67 0.348 3.909 12.739 1131 HA PHE 67 HA PHE 67 -0.231 1.448 14.125 1132 1HB PHE 67 HBR PHE 67 0.908 2.115 11.408 1133 2HB PHE 67 HBS PHE 67 1.068 0.461 12.065 1134 HD1 PHE 67 HD1 PHE 67 -1.059 -0.534 13.063 1135 HD2 PHE 67 HD2 PHE 67 -1.113 2.628 10.207 1136 HE1 PHE 67 HE1 PHE 67 -3.309 -1.226 12.370 1137 HE2 PHE 67 HE2 PHE 67 -3.376 1.941 9.482 1138 HZ PHE 67 HZ PHE 67 -4.511 0.074 10.653 1139 H LYS 68 HN LYS 68 2.819 2.451 12.545 1140 HA LYS 68 HA LYS 68 4.393 2.604 14.800 1141 1HB LYS 68 HBR LYS 68 5.758 0.410 14.405 1142 2HB LYS 68 HBS LYS 68 4.321 0.411 15.467 1143 1HG LYS 68 HGR LYS 68 4.049 -1.533 14.195 1144 2HG LYS 68 HGS LYS 68 3.026 -0.342 13.345 1145 1HD LYS 68 HDS LYS 68 4.407 -0.184 11.546 1146 2HD LYS 68 HDR LYS 68 5.835 -0.566 12.467 1147 1HE LYS 68 HES LYS 68 3.717 -2.609 11.824 1148 2HE LYS 68 HER LYS 68 5.158 -2.292 10.816 1149 1HZ LYS 68 HZC LYS 68 5.844 -2.657 13.522 1150 2HZ LYS 68 HZA LYS 68 5.012 -3.948 12.967 1151 3HZ LYS 68 HZB LYS 68 6.371 -3.463 12.203 1152 H LYS 69 HN LYS 69 6.833 1.824 14.110 1153 HA LYS 69 HA LYS 69 7.318 1.888 11.259 1154 1HB LYS 69 HBR LYS 69 7.146 4.355 11.958 1155 2HB LYS 69 HBS LYS 69 8.671 4.075 12.845 1156 1HG LYS 69 HGR LYS 69 8.303 3.556 9.870 1157 2HG LYS 69 HGS LYS 69 8.961 5.070 10.554 1158 1HD LYS 69 HDS LYS 69 10.938 4.112 10.302 1159 2HD LYS 69 HDR LYS 69 10.534 3.328 11.804 1160 1HE LYS 69 HES LYS 69 11.008 1.435 10.736 1161 2HE LYS 69 HER LYS 69 9.371 1.629 10.049 1162 1HZ LYS 69 HZB LYS 69 11.660 2.878 8.749 1163 2HZ LYS 69 HZC LYS 69 11.351 1.294 8.498 1164 3HZ LYS 69 HZA LYS 69 10.233 2.417 8.104 No H/Q in entry = 1164 Start of MODEL 31 Raw file had 1198 H/Q atoms Start of MODEL 31 1 1H MET 1 HNB MET 1 1.578 12.423 -10.446 2 2H MET 1 HNC MET 1 1.375 12.470 -12.065 3 3H MET 1 HN MET 1 0.198 11.857 -11.113 4 HA MET 1 HA MET 1 1.200 10.037 -12.073 5 1HB MET 1 HBS MET 1 3.457 11.759 -12.060 6 2HB MET 1 HBR MET 1 3.898 10.316 -11.112 7 1HG MET 1 HGS MET 1 4.453 9.688 -13.321 8 2HG MET 1 HGR MET 1 2.855 8.954 -13.056 9 1HE MET 1 HME MET 1 5.099 10.981 -14.759 10 2HE MET 1 HME MET 1 4.294 10.828 -16.342 11 3HE MET 1 HME MET 1 4.294 12.394 -15.490 12 H GLU 2 HN GLU 2 -0.127 9.227 -10.445 13 HA GLU 2 HA GLU 2 1.205 8.039 -8.126 14 1HB GLU 2 HBS GLU 2 0.033 9.273 -6.541 15 2HB GLU 2 HBR GLU 2 0.995 10.328 -7.423 16 1HG GLU 2 HGS GLU 2 -1.200 10.729 -8.836 17 2HG GLU 2 HGR GLU 2 -2.059 10.000 -7.452 18 H LEU 3 HN LEU 3 -0.868 7.469 -6.560 19 HA LEU 3 HA LEU 3 -2.710 5.943 -8.232 20 1HB LEU 3 HBS LEU 3 -2.846 6.018 -5.249 21 2HB LEU 3 HBR LEU 3 -3.010 4.643 -6.378 22 HG LEU 3 HG LEU 3 -0.447 5.955 -5.440 23 1HD1 LEU 3 HMD LEU 3 -2.000 3.537 -4.719 24 2HD1 LEU 3 HMD LEU 3 -0.248 3.300 -4.936 25 3HD1 LEU 3 HMD LEU 3 -0.846 4.496 -3.759 26 1HD2 LEU 3 HMD LEU 3 -1.128 4.296 -7.779 27 2HD2 LEU 3 HMD LEU 3 0.294 5.324 -7.469 28 3HD2 LEU 3 HMD LEU 3 0.225 3.673 -6.801 29 HA PRO 4 HA PRO 4 -5.669 9.256 -8.160 30 1HB PRO 4 HBR PRO 4 -7.362 7.685 -9.645 31 2HB PRO 4 HBS PRO 4 -6.509 8.986 -10.166 32 1HG PRO 4 HGS PRO 4 -5.974 6.303 -10.602 33 2HG PRO 4 HGR PRO 4 -5.313 7.626 -11.374 34 1HD PRO 4 HDR PRO 4 -4.004 6.097 -9.636 35 2HD PRO 4 HDS PRO 4 -3.560 7.639 -10.041 36 H ILE 5 HN ILE 5 -7.725 9.714 -7.353 37 HA ILE 5 HA ILE 5 -8.097 8.015 -4.988 38 HB ILE 5 HB ILE 5 -9.324 9.899 -4.049 39 1HG1 ILE 5 HG1 ILE 5 -10.352 10.495 -6.331 40 2HG1 ILE 5 HG1 ILE 5 -10.028 11.807 -5.165 41 1HG2 ILE 5 HMG ILE 5 -6.902 9.957 -3.876 42 2HG2 ILE 5 HMG ILE 5 -6.799 10.874 -5.402 43 3HG2 ILE 5 HMG ILE 5 -7.589 11.600 -3.976 44 1HD1 ILE 5 HMD ILE 5 -7.732 11.501 -6.851 45 2HD1 ILE 5 HMD ILE 5 -9.194 11.591 -7.870 46 3HD1 ILE 5 HMD ILE 5 -8.843 12.887 -6.695 47 H ALA 6 HN ALA 6 -9.135 7.457 -7.826 48 HA ALA 6 HA ALA 6 -12.017 7.141 -7.344 49 1HB ALA 6 HMB ALA 6 -10.121 6.708 -9.566 50 2HB ALA 6 HMB ALA 6 -11.410 5.488 -9.418 51 3HB ALA 6 HMB ALA 6 -11.829 7.211 -9.585 52 HA PRO 7 HA PRO 7 -10.318 2.658 -6.631 53 1HB PRO 7 HBS PRO 7 -7.645 2.534 -6.416 54 2HB PRO 7 HBR PRO 7 -8.507 1.981 -7.699 55 1HG PRO 7 HGR PRO 7 -6.914 4.274 -7.518 56 2HG PRO 7 HGS PRO 7 -7.452 3.477 -8.882 57 1HD PRO 7 HDR PRO 7 -8.426 5.806 -7.939 58 2HD PRO 7 HDS PRO 7 -9.130 4.871 -9.107 59 H ILE 8 HN ILE 8 -7.791 4.627 -5.267 60 HA ILE 8 HA ILE 8 -8.087 3.734 -2.649 61 HB ILE 8 HB ILE 8 -7.127 6.445 -3.684 62 1HG1 ILE 8 HG1 ILE 8 -5.657 3.868 -3.012 63 2HG1 ILE 8 HG1 ILE 8 -5.938 4.552 -4.637 64 1HG2 ILE 8 HMG ILE 8 -6.854 5.199 -0.949 65 2HG2 ILE 8 HMG ILE 8 -5.797 6.507 -1.543 66 3HG2 ILE 8 HMG ILE 8 -7.551 6.781 -1.384 67 1HD1 ILE 8 HMD ILE 8 -4.359 5.996 -2.499 68 2HD1 ILE 8 HMD ILE 8 -3.619 4.869 -3.667 69 3HD1 ILE 8 HMD ILE 8 -4.439 6.345 -4.247 70 H GLY 9 HN GLY 9 -10.153 5.771 -4.481 71 1HA GLY 9 HAR GLY 9 -11.327 7.376 -2.540 72 2HA GLY 9 HAS GLY 9 -12.165 6.784 -3.998 73 H ARG 10 HN ARG 10 -12.175 4.043 -3.511 74 HA ARG 10 HA ARG 10 -14.108 3.929 -1.263 75 1HB ARG 10 HBS ARG 10 -15.004 1.947 -2.479 76 2HB ARG 10 HBR ARG 10 -15.133 3.493 -3.367 77 1HG ARG 10 HGS ARG 10 -14.373 2.255 -5.094 78 2HG ARG 10 HGR ARG 10 -12.781 2.567 -4.346 79 1HD ARG 10 HDS ARG 10 -12.690 0.312 -4.604 80 2HD ARG 10 HDR ARG 10 -13.370 0.431 -2.956 81 HE ARG 10 HE ARG 10 -15.428 -0.341 -3.764 82 1HH1 ARG 10 HH1 ARG 10 -13.016 -0.143 -6.328 83 2HH1 ARG 10 HH1 ARG 10 -14.037 -0.913 -7.496 84 1HH2 ARG 10 HH2 ARG 10 -16.779 -1.227 -5.353 85 2HH2 ARG 10 HH2 ARG 10 -16.166 -1.528 -6.945 86 H ILE 11 HN ILE 11 -11.138 3.571 -1.092 87 HA ILE 11 HA ILE 11 -11.060 0.801 -0.019 88 HB ILE 11 HB ILE 11 -8.853 2.865 -0.478 89 1HG1 ILE 11 HG1 ILE 11 -9.589 0.259 -1.855 90 2HG1 ILE 11 HG1 ILE 11 -9.635 1.910 -2.536 91 1HG2 ILE 11 HMG ILE 11 -8.400 1.529 1.538 92 2HG2 ILE 11 HMG ILE 11 -8.558 0.041 0.567 93 3HG2 ILE 11 HMG ILE 11 -7.246 1.198 0.219 94 1HD1 ILE 11 HMD ILE 11 -7.037 0.757 -1.559 95 2HD1 ILE 11 HMD ILE 11 -7.683 0.298 -3.157 96 3HD1 ILE 11 HMD ILE 11 -7.336 2.010 -2.793 97 H ILE 12 HN ILE 12 -10.682 4.234 0.839 98 HA ILE 12 HA ILE 12 -10.285 3.638 3.632 99 HB ILE 12 HB ILE 12 -10.888 6.339 2.338 100 1HG1 ILE 12 HG1 ILE 12 -9.144 5.392 1.037 101 2HG1 ILE 12 HG1 ILE 12 -8.383 6.562 2.151 102 1HG2 ILE 12 HMG ILE 12 -10.885 6.099 4.873 103 2HG2 ILE 12 HMG ILE 12 -9.131 5.813 4.730 104 3HG2 ILE 12 HMG ILE 12 -9.832 7.354 4.167 105 1HD1 ILE 12 HMD ILE 12 -8.444 3.554 2.540 106 2HD1 ILE 12 HMD ILE 12 -7.069 4.490 1.896 107 3HD1 ILE 12 HMD ILE 12 -7.615 4.748 3.575 108 H LYS 13 HN LYS 13 -12.973 4.818 1.640 109 HA LYS 13 HA LYS 13 -14.854 5.272 3.756 110 1HB LYS 13 HBS LYS 13 -14.994 5.894 1.232 111 2HB LYS 13 HBR LYS 13 -15.622 4.233 1.034 112 1HG LYS 13 HGR LYS 13 -17.620 4.729 1.997 113 2HG LYS 13 HGS LYS 13 -16.893 5.852 3.181 114 1HD LYS 13 HDS LYS 13 -17.600 6.404 0.305 115 2HD LYS 13 HDR LYS 13 -18.348 7.048 1.740 116 1HE LYS 13 HES LYS 13 -17.029 8.810 1.492 117 2HE LYS 13 HER LYS 13 -15.732 7.751 2.113 118 1HZ LYS 13 HZC LYS 13 -15.941 7.195 -0.542 119 2HZ LYS 13 HZA LYS 13 -16.057 8.823 -0.466 120 3HZ LYS 13 HZB LYS 13 -14.764 8.065 0.182 121 H ASP 14 HN ASP 14 -13.816 2.427 1.913 122 HA ASP 14 HA ASP 14 -15.593 0.601 2.834 123 1HB ASP 14 HBS ASP 14 -13.815 0.248 1.136 124 2HB ASP 14 HBR ASP 14 -12.661 0.012 2.480 125 H ALA 15 HN ALA 15 -12.726 1.778 4.525 126 HA ALA 15 HA ALA 15 -13.007 0.425 6.965 127 1HB ALA 15 HMB ALA 15 -11.412 2.409 5.991 128 2HB ALA 15 HMB ALA 15 -12.421 3.305 7.156 129 3HB ALA 15 HMB ALA 15 -11.478 1.892 7.696 130 H GLY 16 HN GLY 16 -14.643 3.359 5.775 131 1HA GLY 16 HAR GLY 16 -16.954 3.708 6.690 132 2HA GLY 16 HAS GLY 16 -16.242 3.454 8.305 133 H ALA 17 HN ALA 17 -14.167 5.063 6.100 134 HA ALA 17 HA ALA 17 -14.260 7.610 7.313 135 1HB ALA 17 HMB ALA 17 -12.475 6.575 5.811 136 2HB ALA 17 HMB ALA 17 -13.482 7.110 4.441 137 3HB ALA 17 HMB ALA 17 -12.835 8.306 5.593 138 H GLU 18 HN GLU 18 -15.628 9.218 7.196 139 HA GLU 18 HA GLU 18 -17.920 8.966 5.344 140 1HB GLU 18 HBS GLU 18 -17.276 10.235 7.938 141 2HB GLU 18 HBR GLU 18 -18.555 10.912 7.088 142 1HG GLU 18 HGS GLU 18 -18.221 8.202 8.344 143 2HG GLU 18 HGR GLU 18 -19.640 9.268 8.527 144 H ARG 19 HN ARG 19 -15.090 10.860 5.905 145 HA ARG 19 HA ARG 19 -15.336 12.047 3.351 146 1HB ARG 19 HBR ARG 19 -16.417 13.641 5.555 147 2HB ARG 19 HBS ARG 19 -15.082 14.460 4.692 148 1HG ARG 19 HGS ARG 19 -16.308 14.774 2.819 149 2HG ARG 19 HGR ARG 19 -17.148 13.205 2.974 150 1HD ARG 19 HDS ARG 19 -18.887 14.132 3.969 151 2HD ARG 19 HDR ARG 19 -17.848 15.030 5.111 152 HE ARG 19 HE ARG 19 -18.156 16.903 3.817 153 1HH1 ARG 19 HH1 ARG 19 -18.508 14.098 1.710 154 2HH1 ARG 19 HH1 ARG 19 -19.136 15.030 0.393 155 1HH2 ARG 19 HH2 ARG 19 -19.100 18.069 2.118 156 2HH2 ARG 19 HH2 ARG 19 -19.470 17.277 0.622 157 H VAL 20 HN VAL 20 -13.501 13.455 2.856 158 HA VAL 20 HA VAL 20 -11.303 13.278 4.845 159 HB VAL 20 HB VAL 20 -9.799 13.432 2.743 160 1HG1 VAL 20 HMG VAL 20 -9.939 11.535 4.377 161 2HG1 VAL 20 HMG VAL 20 -11.125 10.770 3.293 162 3HG1 VAL 20 HMG VAL 20 -9.467 11.075 2.723 163 1HG2 VAL 20 HMG VAL 20 -12.408 12.873 1.536 164 2HG2 VAL 20 HMG VAL 20 -10.907 13.500 0.812 165 3HG2 VAL 20 HMG VAL 20 -11.123 11.747 1.035 166 H SER 21 HN SER 21 -9.634 15.008 4.416 167 HA SER 21 HA SER 21 -11.086 17.558 4.494 168 1HB SER 21 HBS SER 21 -9.160 18.512 5.373 169 2HB SER 21 HBR SER 21 -9.224 16.883 6.108 170 HG SER 21 HG SER 21 -7.470 18.124 4.255 171 H ASP 22 HN ASP 22 -8.227 16.259 2.760 172 HA ASP 22 HA ASP 22 -9.193 16.802 0.242 173 1HB ASP 22 HBS ASP 22 -8.737 19.230 1.279 174 2HB ASP 22 HBR ASP 22 -7.139 18.897 0.552 175 H ASP 23 HN ASP 23 -6.478 16.470 2.396 176 HA ASP 23 HA ASP 23 -4.763 15.636 0.164 177 1HB ASP 23 HBS ASP 23 -4.169 17.480 1.808 178 2HB ASP 23 HBR ASP 23 -3.839 16.166 2.973 179 H ALA 24 HN ALA 24 -6.549 14.298 2.737 180 HA ALA 24 HA ALA 24 -4.861 12.320 3.680 181 1HB ALA 24 HMB ALA 24 -6.988 12.987 4.711 182 2HB ALA 24 HMB ALA 24 -7.876 12.161 3.406 183 3HB ALA 24 HMB ALA 24 -6.854 11.220 4.521 184 H ARG 25 HN ARG 25 -7.217 12.099 1.005 185 HA ARG 25 HA ARG 25 -6.647 9.456 0.238 186 1HB ARG 25 HBR ARG 25 -7.308 10.414 -2.121 187 2HB ARG 25 HBS ARG 25 -8.511 10.234 -0.812 188 1HG ARG 25 HGS ARG 25 -7.282 12.839 -0.661 189 2HG ARG 25 HGR ARG 25 -7.890 12.550 -2.315 190 1HD ARG 25 HDS ARG 25 -9.770 11.614 -0.345 191 2HD ARG 25 HDR ARG 25 -9.341 13.324 -0.058 192 HE ARG 25 HE ARG 25 -10.884 12.254 -2.264 193 1HH1 ARG 25 HH1 ARG 25 -8.563 14.788 -1.473 194 2HH1 ARG 25 HH1 ARG 25 -9.284 15.935 -2.552 195 1HH2 ARG 25 HH2 ARG 25 -11.876 13.822 -3.566 196 2HH2 ARG 25 HH2 ARG 25 -11.157 15.388 -3.738 197 H ILE 26 HN ILE 26 -5.403 12.487 -1.225 198 HA ILE 26 HA ILE 26 -3.722 11.146 -3.065 199 HB ILE 26 HB ILE 26 -3.665 14.022 -2.028 200 1HG1 ILE 26 HG1 ILE 26 -4.658 13.679 -4.729 201 2HG1 ILE 26 HG1 ILE 26 -5.538 12.603 -3.607 202 1HG2 ILE 26 HMG ILE 26 -1.957 12.641 -3.986 203 2HG2 ILE 26 HMG ILE 26 -2.670 14.174 -4.554 204 3HG2 ILE 26 HMG ILE 26 -1.687 14.145 -3.067 205 1HD1 ILE 26 HMD ILE 26 -5.191 15.595 -3.251 206 2HD1 ILE 26 HMD ILE 26 -6.644 14.789 -3.900 207 3HD1 ILE 26 HMD ILE 26 -6.142 14.498 -2.213 208 H THR 27 HN THR 27 -3.257 12.178 0.243 209 HA THR 27 HA THR 27 -0.422 11.719 0.431 210 HB THR 27 HB THR 27 -2.673 11.555 2.512 211 HG1 THR 27 HG1 THR 27 -2.170 13.321 2.970 212 1HG2 THR 27 HMG THR 27 0.322 11.432 2.956 213 2HG2 THR 27 HMG THR 27 -0.899 11.687 4.229 214 3HG2 THR 27 HMG THR 27 -0.870 10.156 3.316 215 H LEU 28 HN LEU 28 -3.190 9.678 1.455 216 HA LEU 28 HA LEU 28 -1.669 7.440 2.003 217 1HB LEU 28 HBS LEU 28 -4.108 8.123 2.531 218 2HB LEU 28 HBR LEU 28 -4.513 7.268 1.016 219 HG LEU 28 HG LEU 28 -3.813 5.182 1.897 220 1HD1 LEU 28 HMD LEU 28 -1.819 6.038 3.121 221 2HD1 LEU 28 HMD LEU 28 -2.906 6.657 4.389 222 3HD1 LEU 28 HMD LEU 28 -2.808 4.905 4.078 223 1HD2 LEU 28 HMD LEU 28 -5.984 6.418 2.677 224 2HD2 LEU 28 HMD LEU 28 -5.496 4.897 3.466 225 3HD2 LEU 28 HMD LEU 28 -5.166 6.458 4.260 226 H ALA 29 HN ALA 29 -2.496 8.695 -1.068 227 HA ALA 29 HA ALA 29 -1.941 6.285 -2.564 228 1HB ALA 29 HMB ALA 29 -1.905 9.209 -3.359 229 2HB ALA 29 HMB ALA 29 -1.784 7.825 -4.475 230 3HB ALA 29 HMB ALA 29 -3.266 8.070 -3.516 231 H LYS 30 HN LYS 30 -0.095 9.355 -2.410 232 HA LYS 30 HA LYS 30 2.318 8.319 -3.305 233 1HB LYS 30 HBR LYS 30 2.021 10.573 -1.295 234 2HB LYS 30 HBS LYS 30 3.399 10.269 -2.393 235 1HG LYS 30 HGR LYS 30 1.684 10.547 -4.306 236 2HG LYS 30 HGS LYS 30 0.619 11.265 -3.063 237 1HD LYS 30 HDS LYS 30 1.590 13.142 -3.854 238 2HD LYS 30 HDR LYS 30 2.632 12.755 -2.513 239 1HE LYS 30 HES LYS 30 3.181 12.295 -5.435 240 2HE LYS 30 HER LYS 30 4.027 13.378 -4.293 241 1HZ LYS 30 HZC LYS 30 4.693 11.382 -3.086 242 2HZ LYS 30 HZA LYS 30 4.015 10.439 -4.235 243 3HZ LYS 30 HZB LYS 30 5.278 11.403 -4.611 244 H ILE 31 HN ILE 31 0.822 7.980 -0.209 245 HA ILE 31 HA ILE 31 3.104 6.933 1.248 246 HB ILE 31 HB ILE 31 0.078 6.609 1.503 247 1HG1 ILE 31 HG1 ILE 31 2.168 8.212 3.013 248 2HG1 ILE 31 HG1 ILE 31 0.821 8.820 2.008 249 1HG2 ILE 31 HMG ILE 31 1.449 4.611 2.351 250 2HG2 ILE 31 HMG ILE 31 2.008 5.719 3.632 251 3HG2 ILE 31 HMG ILE 31 0.268 5.363 3.455 252 1HD1 ILE 31 HMD ILE 31 -0.762 7.820 3.680 253 2HD1 ILE 31 HMD ILE 31 0.650 7.462 4.711 254 3HD1 ILE 31 HMD ILE 31 0.246 9.152 4.308 255 H LEU 32 HN LEU 32 0.238 5.156 0.110 256 HA LEU 32 HA LEU 32 1.404 2.724 0.416 257 1HB LEU 32 HBS LEU 32 -1.042 3.739 -0.215 258 2HB LEU 32 HBR LEU 32 -0.637 2.862 -1.718 259 HG LEU 32 HG LEU 32 -0.067 0.990 0.192 260 1HD1 LEU 32 HMD LEU 32 -2.409 2.678 1.112 261 2HD1 LEU 32 HMD LEU 32 -2.180 0.976 1.589 262 3HD1 LEU 32 HMD LEU 32 -0.965 2.199 2.039 263 1HD2 LEU 32 HMD LEU 32 -1.730 1.382 -1.981 264 2HD2 LEU 32 HMD LEU 32 -1.556 -0.130 -1.054 265 3HD2 LEU 32 HMD LEU 32 -2.871 1.008 -0.664 266 H GLU 33 HN GLU 33 1.452 4.724 -2.490 267 HA GLU 33 HA GLU 33 2.605 2.719 -4.189 268 1HB GLU 33 HBR GLU 33 2.644 4.424 -5.763 269 2HB GLU 33 HBS GLU 33 1.284 4.657 -4.809 270 1HG GLU 33 HGS GLU 33 1.804 6.669 -4.115 271 2HG GLU 33 HGR GLU 33 3.465 6.222 -3.644 272 H GLU 34 HN GLU 34 3.861 4.820 -1.756 273 HA GLU 34 HA GLU 34 6.674 4.369 -2.594 274 1HB GLU 34 HBS GLU 34 5.630 6.466 -1.633 275 2HB GLU 34 HBR GLU 34 5.532 5.709 -0.138 276 1HG GLU 34 HGS GLU 34 8.171 5.240 -0.947 277 2HG GLU 34 HGR GLU 34 7.886 6.891 -1.563 278 H MET 35 HN MET 35 4.118 3.063 -0.679 279 HA MET 35 HA MET 35 6.002 1.201 0.663 280 1HB MET 35 HBS MET 35 3.337 2.253 1.325 281 2HB MET 35 HBR MET 35 3.503 0.485 1.527 282 1HG MET 35 HGS MET 35 5.472 0.806 2.961 283 2HG MET 35 HGR MET 35 5.409 2.562 2.675 284 1HE MET 35 HME MET 35 3.982 -0.519 3.873 285 2HE MET 35 HME MET 35 3.648 -0.059 5.561 286 3HE MET 35 HME MET 35 2.311 -0.175 4.388 287 H GLY 36 HN GLY 36 5.113 1.418 -2.257 288 1HA GLY 36 HAR GLY 36 4.478 -1.491 -2.525 289 2HA GLY 36 HAS GLY 36 3.901 -0.277 -3.699 290 H ARG 37 HN ARG 37 6.154 1.375 -3.836 291 HA ARG 37 HA ARG 37 8.149 -0.059 -5.359 292 1HB ARG 37 HBR ARG 37 7.505 2.615 -4.922 293 2HB ARG 37 HBS ARG 37 9.066 2.399 -4.079 294 1HG ARG 37 HGS ARG 37 8.823 1.309 -6.849 295 2HG ARG 37 HGR ARG 37 8.897 3.084 -6.658 296 1HD ARG 37 HDS ARG 37 10.922 2.733 -5.223 297 2HD ARG 37 HDR ARG 37 10.889 1.020 -5.727 298 HE ARG 37 HE ARG 37 11.448 1.684 -7.940 299 1HH1 ARG 37 HH1 ARG 37 11.011 4.503 -5.868 300 2HH1 ARG 37 HH1 ARG 37 11.995 5.523 -6.864 301 1HH2 ARG 37 HH2 ARG 37 12.829 3.013 -9.148 302 2HH2 ARG 37 HH2 ARG 37 13.022 4.682 -8.722 303 H ASP 38 HN ASP 38 7.417 0.349 -2.029 304 HA ASP 38 HA ASP 38 10.087 -0.138 -1.103 305 1HB ASP 38 HBR ASP 38 7.603 0.678 0.026 306 2HB ASP 38 HBS ASP 38 8.262 -0.684 0.976 307 H ILE 39 HN ILE 39 7.148 -2.143 -1.302 308 HA ILE 39 HA ILE 39 8.355 -4.469 -0.070 309 HB ILE 39 HB ILE 39 5.936 -4.392 -1.929 310 1HG1 ILE 39 HG1 ILE 39 5.800 -4.022 1.077 311 2HG1 ILE 39 HG1 ILE 39 5.962 -2.639 -0.045 312 1HG2 ILE 39 HMG ILE 39 7.137 -6.551 -0.857 313 2HG2 ILE 39 HMG ILE 39 5.998 -6.144 0.454 314 3HG2 ILE 39 HMG ILE 39 5.388 -6.447 -1.194 315 1HD1 ILE 39 HMD ILE 39 3.767 -4.640 -0.473 316 2HD1 ILE 39 HMD ILE 39 3.602 -3.405 0.804 317 3HD1 ILE 39 HMD ILE 39 3.835 -2.908 -0.894 318 H ALA 40 HN ALA 40 8.553 -2.935 -3.125 319 HA ALA 40 HA ALA 40 8.705 -5.262 -4.781 320 1HB ALA 40 HMB ALA 40 8.920 -2.351 -5.070 321 2HB ALA 40 HMB ALA 40 9.961 -3.267 -6.189 322 3HB ALA 40 HMB ALA 40 8.206 -3.573 -6.151 323 H SER 41 HN SER 41 11.263 -2.833 -4.154 324 HA SER 41 HA SER 41 13.421 -4.465 -4.845 325 1HB SER 41 HBS SER 41 13.579 -2.043 -4.603 326 2HB SER 41 HBR SER 41 13.400 -2.198 -2.831 327 HG SER 41 HG SER 41 15.564 -2.427 -4.522 328 H GLU 42 HN GLU 42 11.392 -4.609 -2.094 329 HA GLU 42 HA GLU 42 13.127 -6.256 -0.443 330 1HB GLU 42 HBR GLU 42 10.254 -5.481 -0.616 331 2HB GLU 42 HBS GLU 42 10.590 -6.969 0.084 332 1HG GLU 42 HGS GLU 42 10.476 -4.885 1.621 333 2HG GLU 42 HGR GLU 42 11.677 -6.154 1.984 334 H ALA 43 HN ALA 43 10.128 -7.131 -2.206 335 HA ALA 43 HA ALA 43 10.633 -9.829 -2.385 336 1HB ALA 43 HMB ALA 43 8.543 -8.401 -2.985 337 2HB ALA 43 HMB ALA 43 9.218 -8.432 -4.634 338 3HB ALA 43 HMB ALA 43 8.823 -9.958 -3.804 339 H ILE 44 HN ILE 44 12.169 -7.301 -4.125 340 HA ILE 44 HA ILE 44 13.007 -9.020 -6.332 341 HB ILE 44 HB ILE 44 13.470 -6.086 -5.624 342 1HG1 ILE 44 HG1 ILE 44 11.853 -7.392 -7.846 343 2HG1 ILE 44 HG1 ILE 44 11.192 -6.808 -6.293 344 1HG2 ILE 44 HMG ILE 44 15.190 -7.557 -7.212 345 2HG2 ILE 44 HMG ILE 44 14.084 -6.791 -8.381 346 3HG2 ILE 44 HMG ILE 44 14.984 -5.785 -7.216 347 1HD1 ILE 44 HMD ILE 44 12.584 -5.076 -8.358 348 2HD1 ILE 44 HMD ILE 44 10.818 -5.233 -8.168 349 3HD1 ILE 44 HMD ILE 44 11.797 -4.527 -6.855 350 H LYS 45 HN LYS 45 14.670 -7.065 -3.825 351 HA LYS 45 HA LYS 45 17.169 -8.405 -3.905 352 1HB LYS 45 HBR LYS 45 16.635 -6.294 -2.641 353 2HB LYS 45 HBS LYS 45 15.806 -7.311 -1.428 354 1HG LYS 45 HGR LYS 45 18.233 -8.566 -1.604 355 2HG LYS 45 HGS LYS 45 18.698 -6.865 -1.897 356 1HD LYS 45 HDS LYS 45 16.849 -6.977 0.286 357 2HD LYS 45 HDR LYS 45 18.096 -8.166 0.545 358 1HE LYS 45 HES LYS 45 19.304 -6.516 1.403 359 2HE LYS 45 HER LYS 45 19.560 -6.021 -0.295 360 1HZ LYS 45 HZC LYS 45 17.161 -4.969 0.419 361 2HZ LYS 45 HZA LYS 45 18.099 -4.722 1.733 362 3HZ LYS 45 HZB LYS 45 18.571 -4.159 0.274 363 H LEU 46 HN LEU 46 14.047 -9.444 -2.922 364 HA LEU 46 HA LEU 46 14.927 -11.518 -1.146 365 1HB LEU 46 HBS LEU 46 12.462 -10.386 -2.237 366 2HB LEU 46 HBR LEU 46 12.379 -12.158 -2.040 367 HG LEU 46 HG LEU 46 12.839 -11.969 0.318 368 1HD1 LEU 46 HMD LEU 46 14.036 -9.563 -0.430 369 2HD1 LEU 46 HMD LEU 46 12.614 -9.071 0.524 370 3HD1 LEU 46 HMD LEU 46 13.820 -10.179 1.228 371 1HD2 LEU 46 HMD LEU 46 10.741 -9.972 -0.595 372 2HD2 LEU 46 HMD LEU 46 10.512 -11.727 -0.385 373 3HD2 LEU 46 HMD LEU 46 10.851 -10.698 1.029 374 H ALA 47 HN ALA 47 14.162 -11.338 -4.594 375 HA ALA 47 HA ALA 47 13.937 -14.174 -5.056 376 1HB ALA 47 HMB ALA 47 13.448 -11.863 -6.493 377 2HB ALA 47 HMB ALA 47 14.862 -12.573 -7.313 378 3HB ALA 47 HMB ALA 47 13.375 -13.534 -7.107 379 H ARG 48 HN ARG 48 16.543 -12.014 -4.476 380 HA ARG 48 HA ARG 48 18.536 -13.529 -6.026 381 1HB ARG 48 HBS ARG 48 18.365 -10.885 -5.165 382 2HB ARG 48 HBR ARG 48 19.583 -11.623 -4.085 383 1HG ARG 48 HGS ARG 48 20.688 -12.505 -6.225 384 2HG ARG 48 HGR ARG 48 19.637 -11.354 -7.097 385 1HD ARG 48 HDS ARG 48 21.245 -9.875 -6.761 386 2HD ARG 48 HDR ARG 48 20.672 -9.825 -5.070 387 HE ARG 48 HE ARG 48 22.469 -11.276 -4.451 388 1HH1 ARG 48 HH1 ARG 48 22.496 -10.604 -7.912 389 2HH1 ARG 48 HH1 ARG 48 24.193 -10.912 -8.069 390 1HH2 ARG 48 HH2 ARG 48 24.709 -11.544 -4.671 391 2HH2 ARG 48 HH2 ARG 48 25.445 -11.446 -6.236 392 H HIS 49 HN HIS 49 17.245 -13.245 -2.792 393 HA HIS 49 HA HIS 49 19.252 -14.754 -1.394 394 1HB HIS 49 HBS HIS 49 17.466 -13.471 -0.204 395 2HB HIS 49 HBR HIS 49 16.262 -14.646 -0.806 396 HD1 HIS 49 HD1 HIS 49 15.835 -16.589 0.768 397 HD2 HIS 49 HD2 HIS 49 19.593 -14.884 1.331 398 HE1 HIS 49 HE1 HIS 49 16.933 -17.892 2.605 399 HE2 HIS 49 HE2 HIS 49 19.216 -16.879 2.935 400 H ALA 50 HN ALA 50 16.543 -15.532 -3.497 401 HA ALA 50 HA ALA 50 16.639 -18.359 -3.020 402 1HB ALA 50 HMB ALA 50 14.757 -16.858 -4.001 403 2HB ALA 50 HMB ALA 50 15.593 -17.126 -5.552 404 3HB ALA 50 HMB ALA 50 14.982 -18.515 -4.618 405 H GLY 51 HN GLY 51 17.930 -16.232 -5.581 406 1HA GLY 51 HAR GLY 51 20.006 -16.770 -6.777 407 2HA GLY 51 HAS GLY 51 19.615 -18.498 -6.562 408 H ARG 52 HN ARG 52 16.953 -16.394 -7.174 409 HA ARG 52 HA ARG 52 16.968 -16.887 -10.058 410 1HB ARG 52 HBR ARG 52 14.655 -17.903 -8.378 411 2HB ARG 52 HBS ARG 52 14.818 -17.954 -10.157 412 1HG ARG 52 HGS ARG 52 16.279 -19.726 -10.112 413 2HG ARG 52 HGR ARG 52 16.893 -19.325 -8.484 414 1HD ARG 52 HDS ARG 52 15.648 -21.104 -7.918 415 2HD ARG 52 HDR ARG 52 14.357 -19.869 -7.862 416 HE ARG 52 HE ARG 52 13.322 -21.115 -9.482 417 1HH1 ARG 52 HH1 ARG 52 16.791 -21.665 -9.789 418 2HH1 ARG 52 HH1 ARG 52 16.629 -22.562 -11.262 419 1HH2 ARG 52 HH2 ARG 52 13.162 -22.182 -11.475 420 2HH2 ARG 52 HH2 ARG 52 14.576 -22.856 -12.215 421 H LYS 53 HN LYS 53 16.485 -15.013 -10.891 422 HA LYS 53 HA LYS 53 15.792 -12.813 -9.312 423 1HB LYS 53 HBS LYS 53 15.600 -11.547 -11.367 424 2HB LYS 53 HBR LYS 53 17.012 -12.640 -11.434 425 1HG LYS 53 HGR LYS 53 15.795 -14.181 -12.880 426 2HG LYS 53 HGS LYS 53 14.318 -13.184 -12.744 427 1HD LYS 53 HDS LYS 53 14.930 -12.076 -14.530 428 2HD LYS 53 HDR LYS 53 16.227 -11.394 -13.586 429 1HE LYS 53 HES LYS 53 17.141 -12.273 -15.610 430 2HE LYS 53 HER LYS 53 17.693 -13.257 -14.224 431 1HZ LYS 53 HZA LYS 53 15.523 -14.556 -14.939 432 2HZ LYS 53 HZB LYS 53 15.958 -13.976 -16.402 433 3HZ LYS 53 HZC LYS 53 17.001 -14.895 -15.545 434 H THR 54 HN THR 54 13.783 -15.116 -10.964 435 HA THR 54 HA THR 54 11.605 -13.523 -11.646 436 HB THR 54 HB THR 54 11.182 -16.410 -10.776 437 HG1 THR 54 HG1 THR 54 12.078 -17.075 -12.364 438 1HG2 THR 54 HMG THR 54 9.341 -15.015 -11.824 439 2HG2 THR 54 HMG THR 54 10.301 -15.047 -13.325 440 3HG2 THR 54 HMG THR 54 9.705 -16.569 -12.616 441 H ILE 55 HN ILE 55 10.224 -12.406 -10.516 442 HA ILE 55 HA ILE 55 10.038 -12.712 -7.602 443 HB ILE 55 HB ILE 55 8.468 -10.835 -9.429 444 1HG1 ILE 55 HG1 ILE 55 10.858 -10.601 -9.883 445 2HG1 ILE 55 HG1 ILE 55 10.205 -9.153 -9.067 446 1HG2 ILE 55 HMG ILE 55 8.611 -11.223 -6.552 447 2HG2 ILE 55 HMG ILE 55 8.993 -9.548 -7.030 448 3HG2 ILE 55 HMG ILE 55 7.452 -10.290 -7.534 449 1HD1 ILE 55 HMD ILE 55 11.506 -11.301 -7.426 450 2HD1 ILE 55 HMD ILE 55 12.520 -10.168 -8.359 451 3HD1 ILE 55 HMD ILE 55 11.388 -9.546 -7.130 452 H LYS 56 HN LYS 56 8.153 -13.214 -6.501 453 HA LYS 56 HA LYS 56 6.117 -14.741 -8.049 454 1HB LYS 56 HBS LYS 56 7.201 -15.854 -5.491 455 2HB LYS 56 HBR LYS 56 6.458 -16.681 -6.889 456 1HG LYS 56 HGR LYS 56 8.778 -15.640 -7.974 457 2HG LYS 56 HGS LYS 56 9.286 -16.076 -6.317 458 1HD LYS 56 HDS LYS 56 8.002 -17.904 -8.348 459 2HD LYS 56 HDR LYS 56 9.685 -17.862 -7.897 460 1HE LYS 56 HES LYS 56 7.946 -18.169 -5.581 461 2HE LYS 56 HER LYS 56 7.763 -19.467 -6.794 462 1HZ LYS 56 HZC LYS 56 10.162 -19.732 -6.718 463 2HZ LYS 56 HZA LYS 56 10.279 -18.603 -5.544 464 3HZ LYS 56 HZB LYS 56 9.485 -20.001 -5.256 465 H ALA 57 HN ALA 57 4.283 -15.400 -6.689 466 HA ALA 57 HA ALA 57 3.298 -13.308 -4.933 467 1HB ALA 57 HMB ALA 57 2.094 -15.181 -6.443 468 2HB ALA 57 HMB ALA 57 2.096 -16.018 -4.870 469 3HB ALA 57 HMB ALA 57 1.336 -14.413 -5.025 470 H GLU 58 HN GLU 58 5.340 -16.055 -4.645 471 HA GLU 58 HA GLU 58 5.150 -16.004 -1.670 472 1HB GLU 58 HBR GLU 58 6.813 -17.766 -3.473 473 2HB GLU 58 HBS GLU 58 6.624 -17.875 -1.809 474 1HG GLU 58 HGS GLU 58 4.356 -18.253 -3.743 475 2HG GLU 58 HGR GLU 58 5.187 -19.607 -2.931 476 H ASP 59 HN ASP 59 6.135 -13.821 -3.435 477 HA ASP 59 HA ASP 59 8.758 -13.581 -2.079 478 1HB ASP 59 HBR ASP 59 7.985 -12.495 -4.779 479 2HB ASP 59 HBS ASP 59 9.369 -11.887 -3.824 480 H ILE 60 HN ILE 60 5.732 -12.058 -3.064 481 HA ILE 60 HA ILE 60 6.303 -9.790 -1.282 482 HB ILE 60 HB ILE 60 4.232 -10.323 -3.457 483 1HG1 ILE 60 HG1 ILE 60 5.567 -8.041 -4.130 484 2HG1 ILE 60 HG1 ILE 60 6.826 -8.913 -3.209 485 1HG2 ILE 60 HMG ILE 60 3.406 -8.887 -1.432 486 2HG2 ILE 60 HMG ILE 60 4.444 -7.634 -2.162 487 3HG2 ILE 60 HMG ILE 60 3.115 -8.352 -3.109 488 1HD1 ILE 60 HMD ILE 60 6.478 -10.880 -4.691 489 2HD1 ILE 60 HMD ILE 60 5.335 -9.907 -5.656 490 3HD1 ILE 60 HMD ILE 60 7.051 -9.430 -5.557 491 H GLU 61 HN GLU 61 4.625 -12.760 -1.231 492 HA GLU 61 HA GLU 61 2.897 -12.140 1.043 493 1HB GLU 61 HBR GLU 61 3.996 -14.564 -0.339 494 2HB GLU 61 HBS GLU 61 3.494 -14.707 1.256 495 1HG GLU 61 HGS GLU 61 1.273 -13.882 0.829 496 2HG GLU 61 HGR GLU 61 1.617 -13.653 -0.907 497 H LEU 62 HN LEU 62 6.265 -12.506 0.426 498 HA LEU 62 HA LEU 62 6.781 -12.212 3.345 499 1HB LEU 62 HBR LEU 62 8.824 -13.726 2.690 500 2HB LEU 62 HBS LEU 62 7.230 -14.423 3.098 501 HG LEU 62 HG LEU 62 8.054 -13.930 0.242 502 1HD1 LEU 62 HMD LEU 62 8.963 -16.034 2.137 503 2HD1 LEU 62 HMD LEU 62 8.418 -16.583 0.532 504 3HD1 LEU 62 HMD LEU 62 9.738 -15.396 0.667 505 1HD2 LEU 62 HMD LEU 62 5.819 -15.066 1.730 506 2HD2 LEU 62 HMD LEU 62 5.933 -14.601 0.013 507 3HD2 LEU 62 HMD LEU 62 6.483 -16.213 0.538 508 H ALA 63 HN ALA 63 6.688 -10.345 0.984 509 HA ALA 63 HA ALA 63 9.353 -9.137 1.565 510 1HB ALA 63 HMB ALA 63 9.016 -9.454 -0.841 511 2HB ALA 63 HMB ALA 63 7.486 -8.544 -0.749 512 3HB ALA 63 HMB ALA 63 9.030 -7.729 -0.396 513 H VAL 64 HN VAL 64 6.566 -9.346 2.926 514 HA VAL 64 HA VAL 64 5.956 -6.453 3.105 515 HB VAL 64 HB VAL 64 4.889 -8.108 1.274 516 1HG1 VAL 64 HMG VAL 64 2.900 -8.195 3.558 517 2HG1 VAL 64 HMG VAL 64 2.488 -8.479 1.851 518 3HG1 VAL 64 HMG VAL 64 3.637 -9.555 2.679 519 1HG2 VAL 64 HMG VAL 64 4.584 -5.487 2.070 520 2HG2 VAL 64 HMG VAL 64 3.914 -6.252 0.609 521 3HG2 VAL 64 HMG VAL 64 2.918 -6.113 2.079 522 H ARG 65 HN ARG 65 4.666 -9.615 4.210 523 HA ARG 65 HA ARG 65 4.160 -8.748 6.929 524 1HB ARG 65 HBS ARG 65 3.934 -11.183 5.379 525 2HB ARG 65 HBR ARG 65 4.763 -11.494 6.931 526 1HG ARG 65 HGS ARG 65 2.874 -10.440 8.126 527 2HG ARG 65 HGR ARG 65 2.038 -10.203 6.565 528 1HD ARG 65 HDS ARG 65 1.122 -12.146 7.473 529 2HD ARG 65 HDR ARG 65 2.279 -12.701 6.232 530 HE ARG 65 HE ARG 65 3.863 -12.957 8.266 531 1HH1 ARG 65 HH1 ARG 65 0.420 -13.709 8.155 532 2HH1 ARG 65 HH1 ARG 65 0.494 -14.758 9.530 533 1HH2 ARG 65 HH2 ARG 65 3.895 -14.235 10.138 534 2HH2 ARG 65 HH2 ARG 65 2.460 -15.058 10.651 535 H ARG 66 HN ARG 66 6.914 -9.760 5.042 536 HA ARG 66 HA ARG 66 8.644 -10.045 7.426 537 1HB ARG 66 HBS ARG 66 9.137 -10.337 4.453 538 2HB ARG 66 HBR ARG 66 10.449 -10.292 5.665 539 1HG ARG 66 HGS ARG 66 9.276 -12.253 6.795 540 2HG ARG 66 HGR ARG 66 8.278 -12.373 5.317 541 1HD ARG 66 HDS ARG 66 10.499 -12.411 4.055 542 2HD ARG 66 HDR ARG 66 11.240 -12.745 5.646 543 HE ARG 66 HE ARG 66 9.713 -14.578 4.014 544 1HH1 ARG 66 HH1 ARG 66 10.282 -13.714 7.384 545 2HH1 ARG 66 HH1 ARG 66 10.161 -15.350 7.938 546 1HH2 ARG 66 HH2 ARG 66 9.688 -16.720 4.758 547 2HH2 ARG 66 HH2 ARG 66 9.822 -17.052 6.453 548 H PHE 67 HN PHE 67 7.630 -7.783 4.979 549 HA PHE 67 HA PHE 67 9.666 -5.879 5.152 550 1HB PHE 67 HBS PHE 67 7.574 -5.852 3.615 551 2HB PHE 67 HBR PHE 67 6.762 -5.031 4.980 552 HD1 PHE 67 HD2 PHE 67 10.312 -4.619 3.737 553 HD2 PHE 67 HD1 PHE 67 6.451 -2.916 4.329 554 HE1 PHE 67 HE2 PHE 67 11.148 -2.446 2.901 555 HE2 PHE 67 HE1 PHE 67 7.253 -0.754 3.490 556 HZ PHE 67 HZ PHE 67 9.627 -0.488 2.875 557 H LYS 68 HN LYS 68 7.428 -6.891 7.537 558 HA LYS 68 HA LYS 68 7.661 -4.604 9.310 559 1HB LYS 68 HBR LYS 68 6.833 -7.481 9.606 560 2HB LYS 68 HBS LYS 68 7.217 -6.502 11.051 561 1HG LYS 68 HGR LYS 68 5.442 -4.986 10.626 562 2HG LYS 68 HGS LYS 68 5.220 -5.590 8.959 563 1HD LYS 68 HDS LYS 68 4.584 -7.069 11.513 564 2HD LYS 68 HDR LYS 68 3.447 -6.311 10.431 565 1HE LYS 68 HES LYS 68 3.246 -8.283 9.445 566 2HE LYS 68 HER LYS 68 4.847 -7.940 8.731 567 1HZ LYS 68 HZC LYS 68 5.825 -9.046 10.635 568 2HZ LYS 68 HZA LYS 68 4.347 -9.409 11.227 569 3HZ LYS 68 HZB LYS 68 4.839 -10.054 9.811 570 H LYS 69 HN LYS 69 8.946 -7.910 9.753 571 HA LYS 69 HA LYS 69 11.687 -6.863 10.149 572 1HB LYS 69 HBS LYS 69 9.853 -7.529 12.290 573 2HB LYS 69 HBR LYS 69 11.243 -8.651 12.273 574 1HG LYS 69 HGR LYS 69 12.291 -7.067 13.485 575 2HG LYS 69 HGS LYS 69 12.471 -6.208 11.928 576 1HD LYS 69 HDS LYS 69 10.486 -4.922 12.332 577 2HD LYS 69 HDR LYS 69 10.118 -5.849 13.760 578 1HE LYS 69 HES LYS 69 12.687 -4.314 13.564 579 2HE LYS 69 HER LYS 69 11.153 -3.543 14.057 580 1HZ LYS 69 HZB LYS 69 11.796 -6.000 15.394 581 2HZ LYS 69 HZC LYS 69 12.797 -4.753 15.729 582 3HZ LYS 69 HZA LYS 69 11.193 -4.606 15.995 583 1H MET 1 HNC MET 1 -10.662 -7.439 -3.871 584 2H MET 1 HNB MET 1 -10.812 -6.678 -2.433 585 3H MET 1 HN MET 1 -12.139 -7.010 -3.323 586 HA MET 1 HA MET 1 -11.819 -5.394 -4.811 587 1HB MET 1 HBS MET 1 -11.072 -4.652 -2.043 588 2HB MET 1 HBR MET 1 -10.607 -3.483 -3.304 589 1HG MET 1 HGS MET 1 -12.787 -2.789 -2.718 590 2HG MET 1 HGR MET 1 -13.028 -3.761 -4.187 591 1HE MET 1 HME MET 1 -14.966 -4.907 -4.273 592 2HE MET 1 HME MET 1 -15.894 -5.724 -2.991 593 3HE MET 1 HME MET 1 -15.798 -3.945 -3.026 594 H GLU 2 HN GLU 2 -10.442 -6.184 -6.381 595 HA GLU 2 HA GLU 2 -7.560 -6.081 -5.966 596 1HB GLU 2 HBR GLU 2 -9.404 -6.935 -8.201 597 2HB GLU 2 HBS GLU 2 -7.739 -6.855 -8.390 598 1HG GLU 2 HGS GLU 2 -7.211 -8.642 -7.181 599 2HG GLU 2 HGR GLU 2 -8.486 -8.399 -5.957 600 H LEU 3 HN LEU 3 -6.470 -4.279 -6.224 601 HA LEU 3 HA LEU 3 -7.197 -2.054 -7.869 602 1HB LEU 3 HBR LEU 3 -4.365 -2.762 -7.169 603 2HB LEU 3 HBS LEU 3 -5.170 -1.169 -7.212 604 HG LEU 3 HG LEU 3 -5.483 -3.300 -5.081 605 1HD1 LEU 3 HMD LEU 3 -3.790 -0.889 -5.417 606 2HD1 LEU 3 HMD LEU 3 -4.616 -1.048 -3.846 607 3HD1 LEU 3 HMD LEU 3 -3.539 -2.346 -4.422 608 1HD2 LEU 3 HMD LEU 3 -6.988 -0.857 -5.822 609 2HD2 LEU 3 HMD LEU 3 -7.507 -2.300 -4.915 610 3HD2 LEU 3 HMD LEU 3 -6.576 -1.020 -4.095 611 HA PRO 4 HA PRO 4 -6.097 -3.425 -11.885 612 1HB PRO 4 HBR PRO 4 -5.641 -0.997 -12.922 613 2HB PRO 4 HBS PRO 4 -7.099 -1.752 -12.909 614 1HG PRO 4 HGS PRO 4 -6.249 0.395 -11.349 615 2HG PRO 4 HGR PRO 4 -7.810 -0.098 -11.675 616 1HD PRO 4 HDS PRO 4 -6.495 -0.489 -9.354 617 2HD PRO 4 HDR PRO 4 -7.913 -1.219 -9.793 618 H ILE 5 HN ILE 5 -4.414 -4.049 -13.062 619 HA ILE 5 HA ILE 5 -1.818 -3.527 -11.939 620 HB ILE 5 HB ILE 5 -1.030 -4.945 -13.880 621 1HG1 ILE 5 HG1 ILE 5 -3.878 -5.579 -14.579 622 2HG1 ILE 5 HG1 ILE 5 -3.170 -4.065 -15.211 623 1HG2 ILE 5 HMG ILE 5 -3.047 -5.838 -11.889 624 2HG2 ILE 5 HMG ILE 5 -2.608 -6.978 -13.189 625 3HG2 ILE 5 HMG ILE 5 -1.346 -6.322 -12.113 626 1HD1 ILE 5 HMD ILE 5 -1.224 -5.614 -15.997 627 2HD1 ILE 5 HMD ILE 5 -2.426 -6.917 -15.799 628 3HD1 ILE 5 HMD ILE 5 -2.749 -5.567 -16.920 629 H ALA 6 HN ALA 6 -1.891 -1.185 -12.132 630 HA ALA 6 HA ALA 6 -0.251 -0.440 -14.401 631 1HB ALA 6 HMB ALA 6 -3.053 0.488 -14.192 632 2HB ALA 6 HMB ALA 6 -1.832 1.761 -14.440 633 3HB ALA 6 HMB ALA 6 -1.962 0.415 -15.599 634 HA PRO 7 HA PRO 7 -0.251 2.702 -10.725 635 1HB PRO 7 HBR PRO 7 -1.957 2.064 -8.742 636 2HB PRO 7 HBS PRO 7 -2.141 3.317 -9.787 637 1HG PRO 7 HGS PRO 7 -3.502 0.883 -9.746 638 2HG PRO 7 HGR PRO 7 -3.957 2.314 -10.473 639 1HD PRO 7 HDS PRO 7 -3.023 0.168 -11.772 640 2HD PRO 7 HDR PRO 7 -3.106 1.695 -12.401 641 H ILE 8 HN ILE 8 -0.301 -0.580 -10.690 642 HA ILE 8 HA ILE 8 1.541 -0.636 -8.346 643 HB ILE 8 HB ILE 8 -0.175 -2.903 -9.470 644 1HG1 ILE 8 HG1 ILE 8 -0.614 -1.143 -7.025 645 2HG1 ILE 8 HG1 ILE 8 -1.555 -1.109 -8.545 646 1HG2 ILE 8 HMG ILE 8 1.470 -2.738 -6.935 647 2HG2 ILE 8 HMG ILE 8 0.364 -4.068 -7.371 648 3HG2 ILE 8 HMG ILE 8 1.806 -3.744 -8.369 649 1HD1 ILE 8 HMD ILE 8 -1.368 -3.570 -6.797 650 2HD1 ILE 8 HMD ILE 8 -2.609 -2.309 -6.568 651 3HD1 ILE 8 HMD ILE 8 -2.531 -3.216 -8.102 652 H GLY 9 HN GLY 9 0.955 -1.659 -11.675 653 1HA GLY 9 HAR GLY 9 2.863 -3.678 -11.869 654 2HA GLY 9 HAS GLY 9 2.244 -2.733 -13.250 655 H ARG 10 HN ARG 10 3.179 -0.192 -12.584 656 HA ARG 10 HA ARG 10 6.064 -0.567 -13.193 657 1HB ARG 10 HBR ARG 10 5.744 2.013 -13.675 658 2HB ARG 10 HBS ARG 10 5.344 0.760 -14.886 659 1HG ARG 10 HGS ARG 10 2.977 0.926 -14.295 660 2HG ARG 10 HGR ARG 10 3.361 2.146 -13.047 661 1HD ARG 10 HDS ARG 10 4.404 3.500 -14.920 662 2HD ARG 10 HDR ARG 10 3.598 2.364 -16.038 663 HE ARG 10 HE ARG 10 2.026 3.866 -14.012 664 1HH1 ARG 10 HH1 ARG 10 2.879 3.327 -17.391 665 2HH1 ARG 10 HH1 ARG 10 1.399 4.001 -17.985 666 1HH2 ARG 10 HH2 ARG 10 0.049 4.621 -14.822 667 2HH2 ARG 10 HH2 ARG 10 -0.203 4.735 -16.532 668 H ILE 11 HN ILE 11 4.554 -0.590 -10.520 669 HA ILE 11 HA ILE 11 6.103 1.488 -9.089 670 HB ILE 11 HB ILE 11 4.205 -0.703 -8.122 671 1HG1 ILE 11 HG1 ILE 11 3.297 1.327 -9.351 672 2HG1 ILE 11 HG1 ILE 11 2.614 0.992 -7.734 673 1HG2 ILE 11 HMG ILE 11 5.861 1.266 -6.553 674 2HG2 ILE 11 HMG ILE 11 4.365 0.542 -5.906 675 3HG2 ILE 11 HMG ILE 11 5.737 -0.503 -6.363 676 1HD1 ILE 11 HMD ILE 11 4.622 2.709 -7.094 677 2HD1 ILE 11 HMD ILE 11 4.166 3.308 -8.711 678 3HD1 ILE 11 HMD ILE 11 2.938 3.197 -7.422 679 H ILE 12 HN ILE 12 5.776 -2.077 -9.252 680 HA ILE 12 HA ILE 12 8.131 -2.538 -7.629 681 HB ILE 12 HB ILE 12 6.724 -4.533 -9.460 682 1HG1 ILE 12 HG1 ILE 12 4.950 -3.530 -8.256 683 2HG1 ILE 12 HG1 ILE 12 5.298 -5.084 -7.448 684 1HG2 ILE 12 HMG ILE 12 8.955 -4.977 -8.133 685 2HG2 ILE 12 HMG ILE 12 7.824 -5.227 -6.775 686 3HG2 ILE 12 HMG ILE 12 7.675 -6.214 -8.254 687 1HD1 ILE 12 HMD ILE 12 6.578 -2.577 -6.412 688 2HD1 ILE 12 HMD ILE 12 4.862 -2.905 -6.050 689 3HD1 ILE 12 HMD ILE 12 6.118 -4.070 -5.552 690 H LYS 13 HN LYS 13 7.337 -2.576 -11.093 691 HA LYS 13 HA LYS 13 9.827 -3.372 -12.076 692 1HB LYS 13 HBR LYS 13 7.515 -1.828 -13.143 693 2HB LYS 13 HBS LYS 13 9.067 -1.667 -14.012 694 1HG LYS 13 HGR LYS 13 9.170 -4.061 -14.384 695 2HG LYS 13 HGS LYS 13 7.722 -4.319 -13.370 696 1HD LYS 13 HDS LYS 13 6.504 -2.802 -15.025 697 2HD LYS 13 HDR LYS 13 7.898 -2.986 -16.053 698 1HE LYS 13 HES LYS 13 6.901 -5.542 -15.049 699 2HE LYS 13 HER LYS 13 5.721 -4.622 -16.026 700 1HZ LYS 13 HZA LYS 13 8.379 -4.716 -17.088 701 2HZ LYS 13 HZB LYS 13 7.619 -6.161 -17.042 702 3HZ LYS 13 HZC LYS 13 6.942 -4.908 -17.842 703 H ASP 14 HN ASP 14 8.612 -0.075 -11.404 704 HA ASP 14 HA ASP 14 10.805 1.322 -12.158 705 1HB ASP 14 HBS ASP 14 8.623 2.266 -11.507 706 2HB ASP 14 HBR ASP 14 9.078 2.033 -9.793 707 H ALA 15 HN ALA 15 10.295 -0.262 -9.046 708 HA ALA 15 HA ALA 15 12.695 0.256 -7.784 709 1HB ALA 15 HMB ALA 15 10.626 -1.315 -7.236 710 2HB ALA 15 HMB ALA 15 11.744 -2.569 -7.831 711 3HB ALA 15 HMB ALA 15 12.217 -1.532 -6.461 712 H GLY 16 HN GLY 16 12.061 -2.164 -10.323 713 1HA GLY 16 HAR GLY 16 13.998 -2.467 -11.864 714 2HA GLY 16 HAS GLY 16 14.986 -2.790 -10.415 715 H ALA 17 HN ALA 17 11.747 -3.932 -10.262 716 HA ALA 17 HA ALA 17 12.326 -6.733 -10.449 717 1HB ALA 17 HMB ALA 17 10.087 -5.043 -9.929 718 2HB ALA 17 HMB ALA 17 9.642 -6.193 -11.217 719 3HB ALA 17 HMB ALA 17 10.262 -6.795 -9.659 720 H GLU 18 HN GLU 18 12.687 -7.950 -12.143 721 HA GLU 18 HA GLU 18 12.463 -6.683 -14.825 722 1HB GLU 18 HBR GLU 18 14.156 -9.021 -13.947 723 2HB GLU 18 HBS GLU 18 14.226 -8.164 -15.388 724 1HG GLU 18 HGS GLU 18 15.689 -6.727 -14.650 725 2HG GLU 18 HGR GLU 18 14.573 -6.145 -13.385 726 H ARG 19 HN ARG 19 12.358 -9.943 -13.315 727 HA ARG 19 HA ARG 19 10.471 -10.773 -15.471 728 1HB ARG 19 HBR ARG 19 12.687 -12.324 -14.123 729 2HB ARG 19 HBS ARG 19 11.288 -13.130 -14.888 730 1HG ARG 19 HGS ARG 19 11.879 -11.925 -17.018 731 2HG ARG 19 HGR ARG 19 13.377 -11.375 -16.217 732 1HD ARG 19 HDS ARG 19 14.298 -13.244 -16.945 733 2HD ARG 19 HDR ARG 19 13.321 -14.084 -15.709 734 HE ARG 19 HE ARG 19 11.590 -13.992 -17.765 735 1HH1 ARG 19 HH1 ARG 19 14.914 -15.129 -17.470 736 2HH1 ARG 19 HH1 ARG 19 14.802 -16.153 -18.863 737 1HH2 ARG 19 HH2 ARG 19 11.522 -15.243 -19.654 738 2HH2 ARG 19 HH2 ARG 19 12.882 -16.218 -20.098 739 H VAL 20 HN VAL 20 8.518 -10.877 -14.668 740 HA VAL 20 HA VAL 20 8.106 -11.690 -11.847 741 HB VAL 20 HB VAL 20 6.017 -10.722 -13.798 742 1HG1 VAL 20 HMG VAL 20 5.823 -11.812 -11.216 743 2HG1 VAL 20 HMG VAL 20 5.550 -10.062 -11.030 744 3HG1 VAL 20 HMG VAL 20 4.550 -11.004 -12.162 745 1HG2 VAL 20 HMG VAL 20 8.153 -9.192 -12.826 746 2HG2 VAL 20 HMG VAL 20 6.664 -8.615 -13.613 747 3HG2 VAL 20 HMG VAL 20 6.744 -8.736 -11.838 748 H SER 21 HN SER 21 6.877 -13.459 -11.321 749 HA SER 21 HA SER 21 6.860 -15.541 -13.372 750 1HB SER 21 HBS SER 21 6.808 -17.087 -11.637 751 2HB SER 21 HBR SER 21 7.838 -15.763 -11.018 752 HG SER 21 HG SER 21 5.135 -16.577 -10.423 753 H ASP 22 HN ASP 22 4.800 -13.290 -13.115 754 HA ASP 22 HA ASP 22 2.574 -12.913 -13.118 755 1HB ASP 22 HBS ASP 22 1.948 -15.831 -13.383 756 2HB ASP 22 HBR ASP 22 1.056 -14.402 -13.981 757 H ASP 23 HN ASP 23 0.588 -13.337 -11.798 758 HA ASP 23 HA ASP 23 -0.336 -13.294 -9.729 759 1HB ASP 23 HBS ASP 23 1.282 -15.563 -9.531 760 2HB ASP 23 HBR ASP 23 1.625 -14.585 -8.075 761 H ALA 24 HN ALA 24 3.226 -13.042 -9.419 762 HA ALA 24 HA ALA 24 3.194 -11.483 -7.159 763 1HB ALA 24 HMB ALA 24 5.103 -12.558 -8.844 764 2HB ALA 24 HMB ALA 24 5.417 -10.806 -8.926 765 3HB ALA 24 HMB ALA 24 5.407 -11.635 -7.349 766 H ARG 25 HN ARG 25 3.333 -10.370 -10.544 767 HA ARG 25 HA ARG 25 3.461 -7.649 -10.070 768 1HB ARG 25 HBR ARG 25 2.681 -9.371 -12.311 769 2HB ARG 25 HBS ARG 25 1.846 -7.791 -12.308 770 1HG ARG 25 HGS ARG 25 3.861 -6.596 -12.486 771 2HG ARG 25 HGR ARG 25 4.845 -8.006 -12.001 772 1HD ARG 25 HDS ARG 25 4.974 -7.476 -14.407 773 2HD ARG 25 HDR ARG 25 4.369 -9.119 -14.059 774 HE ARG 25 HE ARG 25 2.451 -6.927 -14.618 775 1HH1 ARG 25 HH1 ARG 25 4.082 -9.850 -15.724 776 2HH1 ARG 25 HH1 ARG 25 2.824 -10.259 -16.843 777 1HH2 ARG 25 HH2 ARG 25 0.769 -7.563 -15.997 778 2HH2 ARG 25 HH2 ARG 25 0.950 -8.965 -16.999 779 H ILE 26 HN ILE 26 0.844 -9.777 -9.451 780 HA ILE 26 HA ILE 26 -0.964 -7.451 -9.010 781 HB ILE 26 HB ILE 26 -1.626 -10.362 -9.677 782 1HG1 ILE 26 HG1 ILE 26 -2.609 -8.594 -11.662 783 2HG1 ILE 26 HG1 ILE 26 -0.941 -8.065 -11.303 784 1HG2 ILE 26 HMG ILE 26 -3.388 -7.990 -9.096 785 2HG2 ILE 26 HMG ILE 26 -3.948 -9.366 -10.081 786 3HG2 ILE 26 HMG ILE 26 -3.434 -9.628 -8.394 787 1HD1 ILE 26 HMD ILE 26 -0.787 -10.852 -11.493 788 2HD1 ILE 26 HMD ILE 26 -1.880 -10.356 -12.812 789 3HD1 ILE 26 HMD ILE 26 -0.245 -9.653 -12.697 790 H THR 27 HN THR 27 0.829 -9.903 -7.484 791 HA THR 27 HA THR 27 -0.596 -10.354 -5.153 792 HB THR 27 HB THR 27 2.428 -9.970 -5.512 793 HG1 THR 27 HG1 THR 27 0.725 -12.069 -5.228 794 1HG2 THR 27 HMG THR 27 0.963 -11.206 -3.166 795 2HG2 THR 27 HMG THR 27 2.718 -11.296 -3.460 796 3HG2 THR 27 HMG THR 27 1.945 -9.719 -3.158 797 H LEU 28 HN LEU 28 1.596 -7.621 -5.866 798 HA LEU 28 HA LEU 28 1.217 -6.187 -3.514 799 1HB LEU 28 HBR LEU 28 1.921 -5.526 -6.352 800 2HB LEU 28 HBS LEU 28 1.644 -4.198 -5.190 801 HG LEU 28 HG LEU 28 3.975 -4.552 -5.291 802 1HD1 LEU 28 HMD LEU 28 2.884 -6.008 -2.860 803 2HD1 LEU 28 HMD LEU 28 4.527 -5.339 -3.025 804 3HD1 LEU 28 HMD LEU 28 3.117 -4.249 -3.024 805 1HD2 LEU 28 HMD LEU 28 3.656 -6.865 -6.314 806 2HD2 LEU 28 HMD LEU 28 5.026 -6.673 -5.191 807 3HD2 LEU 28 HMD LEU 28 3.533 -7.476 -4.644 808 H ALA 29 HN ALA 29 -0.915 -6.572 -6.260 809 HA ALA 29 HA ALA 29 -2.666 -4.432 -5.650 810 1HB ALA 29 HMB ALA 29 -2.394 -6.409 -7.626 811 2HB ALA 29 HMB ALA 29 -4.022 -6.630 -6.933 812 3HB ALA 29 HMB ALA 29 -3.539 -5.043 -7.587 813 H LYS 30 HN LYS 30 -2.208 -7.492 -4.168 814 HA LYS 30 HA LYS 30 -4.814 -7.292 -2.781 815 1HB LYS 30 HBR LYS 30 -3.158 -9.443 -3.755 816 2HB LYS 30 HBS LYS 30 -3.410 -9.618 -1.995 817 1HG LYS 30 HGR LYS 30 -5.859 -9.451 -2.350 818 2HG LYS 30 HGS LYS 30 -5.580 -9.345 -4.112 819 1HD LYS 30 HDS LYS 30 -4.497 -11.664 -2.556 820 2HD LYS 30 HDR LYS 30 -6.193 -11.599 -2.951 821 1HE LYS 30 HES LYS 30 -4.177 -11.156 -5.114 822 2HE LYS 30 HER LYS 30 -4.555 -12.803 -4.537 823 1HZ LYS 30 HZA LYS 30 -6.884 -12.294 -4.993 824 2HZ LYS 30 HZB LYS 30 -6.459 -10.855 -5.639 825 3HZ LYS 30 HZC LYS 30 -5.964 -12.243 -6.343 826 H ILE 31 HN ILE 31 -1.332 -7.247 -2.235 827 HA ILE 31 HA ILE 31 -1.437 -6.994 0.652 828 HB ILE 31 HB ILE 31 0.601 -6.301 -1.507 829 1HG1 ILE 31 HG1 ILE 31 1.909 -8.058 -0.189 830 2HG1 ILE 31 HG1 ILE 31 0.380 -8.396 0.670 831 1HG2 ILE 31 HMG ILE 31 0.741 -4.627 0.365 832 2HG2 ILE 31 HMG ILE 31 1.133 -5.988 1.450 833 3HG2 ILE 31 HMG ILE 31 2.208 -5.601 0.080 834 1HD1 ILE 31 HMD ILE 31 0.801 -8.605 -2.327 835 2HD1 ILE 31 HMD ILE 31 0.779 -9.972 -1.181 836 3HD1 ILE 31 HMD ILE 31 -0.694 -8.998 -1.436 837 H LEU 32 HN LEU 32 -0.568 -4.507 -1.757 838 HA LEU 32 HA LEU 32 -0.649 -2.483 0.030 839 1HB LEU 32 HBR LEU 32 -0.481 -2.841 -2.845 840 2HB LEU 32 HBS LEU 32 -1.250 -1.284 -2.428 841 HG LEU 32 HG LEU 32 1.025 -1.475 -0.788 842 1HD1 LEU 32 HMD LEU 32 1.611 -3.300 -2.566 843 2HD1 LEU 32 HMD LEU 32 1.894 -1.902 -3.635 844 3HD1 LEU 32 HMD LEU 32 2.821 -2.069 -2.123 845 1HD2 LEU 32 HMD LEU 32 -0.082 0.127 -2.987 846 2HD2 LEU 32 HMD LEU 32 0.713 0.639 -1.476 847 3HD2 LEU 32 HMD LEU 32 1.696 0.178 -2.888 848 H GLU 33 HN GLU 33 -3.381 -3.808 -1.681 849 HA GLU 33 HA GLU 33 -5.162 -1.639 -0.958 850 1HB GLU 33 HBR GLU 33 -5.115 -3.336 -2.946 851 2HB GLU 33 HBS GLU 33 -5.798 -4.410 -1.851 852 1HG GLU 33 HGS GLU 33 -7.079 -1.750 -2.365 853 2HG GLU 33 HGR GLU 33 -7.544 -3.186 -3.317 854 H GLU 34 HN GLU 34 -4.018 -4.517 0.556 855 HA GLU 34 HA GLU 34 -6.161 -4.616 2.580 856 1HB GLU 34 HBR GLU 34 -4.111 -6.292 1.614 857 2HB GLU 34 HBS GLU 34 -3.580 -5.796 3.126 858 1HG GLU 34 HGS GLU 34 -4.695 -7.521 3.953 859 2HG GLU 34 HGR GLU 34 -6.113 -6.438 3.904 860 H MET 35 HN MET 35 -2.764 -3.560 2.225 861 HA MET 35 HA MET 35 -2.871 -2.189 4.800 862 1HB MET 35 HBS MET 35 -0.841 -3.276 3.126 863 2HB MET 35 HBR MET 35 -0.514 -1.530 3.328 864 1HG MET 35 HGS MET 35 -0.744 -1.808 5.802 865 2HG MET 35 HGR MET 35 -0.996 -3.553 5.552 866 1HE MET 35 HME MET 35 1.031 -3.583 7.297 867 2HE MET 35 HME MET 35 2.730 -3.231 6.894 868 3HE MET 35 HME MET 35 1.586 -1.893 7.174 869 H GLY 36 HN GLY 36 -4.488 -1.405 2.310 870 1HA GLY 36 HAR GLY 36 -3.920 1.511 2.643 871 2HA GLY 36 HAS GLY 36 -4.672 0.835 1.172 872 H ARG 37 HN ARG 37 -6.253 -1.152 2.548 873 HA ARG 37 HA ARG 37 -8.424 0.417 3.738 874 1HB ARG 37 HBR ARG 37 -8.098 -2.235 2.648 875 2HB ARG 37 HBS ARG 37 -8.758 -2.330 4.307 876 1HG ARG 37 HGS ARG 37 -10.671 -1.077 3.734 877 2HG ARG 37 HGR ARG 37 -9.944 -0.505 2.205 878 1HD ARG 37 HDS ARG 37 -11.401 -2.125 1.488 879 2HD ARG 37 HDR ARG 37 -9.856 -3.014 1.600 880 HE ARG 37 HE ARG 37 -12.234 -3.390 3.252 881 1HH1 ARG 37 HH1 ARG 37 -8.846 -4.171 2.668 882 2HH1 ARG 37 HH1 ARG 37 -8.823 -5.442 3.842 883 1HH2 ARG 37 HH2 ARG 37 -12.130 -4.974 4.870 884 2HH2 ARG 37 HH2 ARG 37 -10.682 -5.899 5.088 885 H ASP 38 HN ASP 38 -5.527 -1.201 4.691 886 HA ASP 38 HA ASP 38 -6.129 -1.594 7.462 887 1HB ASP 38 HBS ASP 38 -4.221 -2.614 6.207 888 2HB ASP 38 HBR ASP 38 -3.411 -1.023 6.296 889 H ILE 39 HN ILE 39 -4.338 1.028 5.805 890 HA ILE 39 HA ILE 39 -3.900 2.512 8.122 891 HB ILE 39 HB ILE 39 -4.095 3.534 5.245 892 1HG1 ILE 39 HG1 ILE 39 -1.554 2.693 6.651 893 2HG1 ILE 39 HG1 ILE 39 -2.600 1.491 5.842 894 1HG2 ILE 39 HMG ILE 39 -2.626 4.683 7.629 895 2HG2 ILE 39 HMG ILE 39 -2.502 5.266 5.948 896 3HG2 ILE 39 HMG ILE 39 -4.054 5.376 6.820 897 1HD1 ILE 39 HMD ILE 39 -1.365 3.918 4.505 898 2HD1 ILE 39 HMD ILE 39 -0.728 2.253 4.422 899 3HD1 ILE 39 HMD ILE 39 -2.322 2.634 3.719 900 H ALA 40 HN ALA 40 -6.646 2.525 5.910 901 HA ALA 40 HA ALA 40 -7.754 5.000 6.599 902 1HB ALA 40 HMB ALA 40 -8.372 3.465 4.689 903 2HB ALA 40 HMB ALA 40 -9.353 2.545 5.857 904 3HB ALA 40 HMB ALA 40 -9.726 4.258 5.535 905 H SER 41 HN SER 41 -8.679 1.759 7.830 906 HA SER 41 HA SER 41 -10.559 2.731 9.658 907 1HB SER 41 HBS SER 41 -9.547 0.210 8.861 908 2HB SER 41 HBR SER 41 -9.489 0.269 10.647 909 HG SER 41 HG SER 41 -11.578 0.114 8.802 910 H GLU 42 HN GLU 42 -7.152 2.801 9.827 911 HA GLU 42 HA GLU 42 -7.115 3.122 12.779 912 1HB GLU 42 HBR GLU 42 -5.144 2.762 10.570 913 2HB GLU 42 HBS GLU 42 -4.688 3.768 11.834 914 1HG GLU 42 HGS GLU 42 -3.836 1.754 12.546 915 2HG GLU 42 HGR GLU 42 -5.314 1.914 13.533 916 H ALA 43 HN ALA 43 -6.577 4.883 9.722 917 HA ALA 43 HA ALA 43 -6.135 7.477 10.858 918 1HB ALA 43 HMB ALA 43 -5.619 6.878 8.531 919 2HB ALA 43 HMB ALA 43 -7.360 6.710 8.195 920 3HB ALA 43 HMB ALA 43 -6.690 8.297 8.650 921 H ILE 44 HN ILE 44 -8.871 5.415 10.664 922 HA ILE 44 HA ILE 44 -10.785 7.520 10.534 923 HB ILE 44 HB ILE 44 -10.732 4.878 9.885 924 1HG1 ILE 44 HG1 ILE 44 -13.492 5.635 10.103 925 2HG1 ILE 44 HG1 ILE 44 -12.518 7.096 9.771 926 1HG2 ILE 44 HMG ILE 44 -12.508 4.938 12.333 927 2HG2 ILE 44 HMG ILE 44 -12.508 3.682 11.067 928 3HG2 ILE 44 HMG ILE 44 -11.053 3.943 12.064 929 1HD1 ILE 44 HMD ILE 44 -11.521 5.081 8.068 930 2HD1 ILE 44 HMD ILE 44 -13.299 4.970 7.987 931 3HD1 ILE 44 HMD ILE 44 -12.485 6.515 7.624 932 H LYS 45 HN LYS 45 -10.217 5.116 13.142 933 HA LYS 45 HA LYS 45 -11.593 6.632 15.149 934 1HB LYS 45 HBR LYS 45 -11.131 4.184 15.276 935 2HB LYS 45 HBS LYS 45 -9.406 4.567 15.544 936 1HG LYS 45 HGR LYS 45 -9.787 5.418 17.677 937 2HG LYS 45 HGS LYS 45 -11.507 5.768 17.342 938 1HD LYS 45 HDS LYS 45 -11.993 3.937 18.455 939 2HD LYS 45 HDR LYS 45 -11.448 3.082 17.038 940 1HE LYS 45 HES LYS 45 -9.924 3.607 19.571 941 2HE LYS 45 HER LYS 45 -10.366 2.052 18.813 942 1HZ LYS 45 HZC LYS 45 -8.936 2.979 16.907 943 2HZ LYS 45 HZA LYS 45 -8.271 3.923 18.063 944 3HZ LYS 45 HZB LYS 45 -8.209 2.297 18.200 945 H LEU 46 HN LEU 46 -8.511 6.927 13.664 946 HA LEU 46 HA LEU 46 -7.144 8.466 15.680 947 1HB LEU 46 HBR LEU 46 -6.934 7.830 12.799 948 2HB LEU 46 HBS LEU 46 -6.262 9.412 13.288 949 HG LEU 46 HG LEU 46 -5.470 6.894 14.728 950 1HD1 LEU 46 HMD LEU 46 -5.175 6.717 12.177 951 2HD1 LEU 46 HMD LEU 46 -3.964 8.011 12.360 952 3HD1 LEU 46 HMD LEU 46 -3.740 6.456 13.201 953 1HD2 LEU 46 HMD LEU 46 -4.310 9.646 14.220 954 2HD2 LEU 46 HMD LEU 46 -4.833 8.935 15.769 955 3HD2 LEU 46 HMD LEU 46 -3.379 8.312 14.949 956 H ALA 47 HN ALA 47 -9.548 9.137 13.169 957 HA ALA 47 HA ALA 47 -9.648 11.940 13.574 958 1HB ALA 47 HMB ALA 47 -10.849 10.045 11.900 959 2HB ALA 47 HMB ALA 47 -12.193 10.824 12.773 960 3HB ALA 47 HMB ALA 47 -11.035 11.817 11.852 961 H ARG 48 HN ARG 48 -11.406 9.240 15.062 962 HA ARG 48 HA ARG 48 -13.274 11.056 16.368 963 1HB ARG 48 HBR ARG 48 -13.018 8.091 16.022 964 2HB ARG 48 HBS ARG 48 -13.997 8.721 17.378 965 1HG ARG 48 HGS ARG 48 -15.157 10.161 15.548 966 2HG ARG 48 HGR ARG 48 -14.444 8.984 14.409 967 1HD ARG 48 HDS ARG 48 -16.058 7.559 14.848 968 2HD ARG 48 HDR ARG 48 -15.598 7.553 16.575 969 HE ARG 48 HE ARG 48 -17.109 9.863 16.181 970 1HH1 ARG 48 HH1 ARG 48 -17.535 6.363 16.184 971 2HH1 ARG 48 HH1 ARG 48 -19.248 6.464 16.419 972 1HH2 ARG 48 HH2 ARG 48 -19.367 9.956 16.359 973 2HH2 ARG 48 HH2 ARG 48 -20.285 8.496 16.521 974 H HIS 49 HN HIS 49 -10.508 9.046 17.225 975 HA HIS 49 HA HIS 49 -10.701 9.295 20.078 976 1HB HIS 49 HBS HIS 49 -9.152 7.681 18.903 977 2HB HIS 49 HBR HIS 49 -8.134 9.079 18.453 978 HD1 HIS 49 HD1 HIS 49 -7.320 10.566 20.708 979 HD2 HIS 49 HD2 HIS 49 -8.469 6.600 21.262 980 HE1 HIS 49 HE1 HIS 49 -6.252 9.812 22.847 981 HE2 HIS 49 HE2 HIS 49 -6.925 7.406 23.175 982 H ALA 50 HN ALA 50 -9.351 11.282 17.476 983 HA ALA 50 HA ALA 50 -8.308 13.400 19.113 984 1HB ALA 50 HMB ALA 50 -8.983 12.942 16.280 985 2HB ALA 50 HMB ALA 50 -9.149 14.626 16.836 986 3HB ALA 50 HMB ALA 50 -7.595 13.776 17.023 987 H GLY 51 HN GLY 51 -11.476 12.743 17.604 988 1HA GLY 51 HAR GLY 51 -13.578 13.190 18.710 989 2HA GLY 51 HAS GLY 51 -12.765 14.441 19.688 990 H ARG 52 HN ARG 52 -12.099 14.063 16.266 991 HA ARG 52 HA ARG 52 -13.278 16.763 15.836 992 1HB ARG 52 HBR ARG 52 -10.642 16.041 15.734 993 2HB ARG 52 HBS ARG 52 -11.134 15.850 14.027 994 1HG ARG 52 HGS ARG 52 -10.184 18.084 14.528 995 2HG ARG 52 HGR ARG 52 -11.866 18.153 13.929 996 1HD ARG 52 HDS ARG 52 -12.049 17.914 16.711 997 2HD ARG 52 HDR ARG 52 -10.741 19.090 16.406 998 HE ARG 52 HE ARG 52 -13.549 19.513 16.025 999 1HH1 ARG 52 HH1 ARG 52 -10.336 20.478 14.942 1000 2HH1 ARG 52 HH1 ARG 52 -10.912 21.907 14.154 1001 1HH2 ARG 52 HH2 ARG 52 -14.281 21.322 14.873 1002 2HH2 ARG 52 HH2 ARG 52 -13.145 22.387 14.116 1003 H LYS 53 HN LYS 53 -13.312 17.170 13.316 1004 HA LYS 53 HA LYS 53 -14.760 14.892 12.048 1005 1HB LYS 53 HBR LYS 53 -15.387 17.670 12.215 1006 2HB LYS 53 HBS LYS 53 -14.961 17.300 10.519 1007 1HG LYS 53 HGR LYS 53 -16.593 15.207 11.037 1008 2HG LYS 53 HGS LYS 53 -17.293 16.415 12.153 1009 1HD LYS 53 HDS LYS 53 -16.820 17.709 9.673 1010 2HD LYS 53 HDR LYS 53 -17.558 16.171 9.318 1011 1HE LYS 53 HES LYS 53 -19.290 17.793 9.552 1012 2HE LYS 53 HER LYS 53 -19.357 16.653 10.926 1013 1HZ LYS 53 HZB LYS 53 -17.756 18.608 11.810 1014 2HZ LYS 53 HZC LYS 53 -18.836 19.452 10.922 1015 3HZ LYS 53 HZA LYS 53 -19.352 18.487 12.135 1016 H THR 54 HN THR 54 -14.392 14.616 9.753 1017 HA THR 54 HA THR 54 -13.204 14.523 7.811 1018 HB THR 54 HB THR 54 -11.892 17.072 8.915 1019 HG1 THR 54 HG1 THR 54 -13.248 18.025 7.887 1020 1HG2 THR 54 HMG THR 54 -11.059 15.603 6.701 1021 2HG2 THR 54 HMG THR 54 -12.086 16.891 6.021 1022 3HG2 THR 54 HMG THR 54 -10.694 17.310 7.054 1023 H ILE 55 HN ILE 55 -11.580 13.316 7.122 1024 HA ILE 55 HA ILE 55 -9.271 12.808 8.912 1025 HB ILE 55 HB ILE 55 -9.950 11.450 6.263 1026 1HG1 ILE 55 HG1 ILE 55 -11.835 11.256 7.831 1027 2HG1 ILE 55 HG1 ILE 55 -11.054 9.681 7.511 1028 1HG2 ILE 55 HMG ILE 55 -7.619 11.229 7.118 1029 2HG2 ILE 55 HMG ILE 55 -8.282 10.426 8.566 1030 3HG2 ILE 55 HMG ILE 55 -8.499 9.686 6.957 1031 1HD1 ILE 55 HMD ILE 55 -10.015 11.104 9.874 1032 2HD1 ILE 55 HMD ILE 55 -11.732 10.631 9.981 1033 3HD1 ILE 55 HMD ILE 55 -10.485 9.395 9.665 1034 H LYS 56 HN LYS 56 -7.233 13.363 8.385 1035 HA LYS 56 HA LYS 56 -6.762 14.818 5.868 1036 1HB LYS 56 HBR LYS 56 -5.680 16.049 8.382 1037 2HB LYS 56 HBS LYS 56 -5.948 16.768 6.767 1038 1HG LYS 56 HGR LYS 56 -7.770 17.729 7.663 1039 2HG LYS 56 HGS LYS 56 -8.514 16.105 7.602 1040 1HD LYS 56 HDS LYS 56 -8.690 16.050 9.781 1041 2HD LYS 56 HDR LYS 56 -6.957 16.161 9.923 1042 1HE LYS 56 HES LYS 56 -6.949 18.420 10.308 1043 2HE LYS 56 HER LYS 56 -8.508 18.659 9.469 1044 1HZ LYS 56 HZC LYS 56 -8.392 17.102 11.932 1045 2HZ LYS 56 HZA LYS 56 -8.421 18.734 12.005 1046 3HZ LYS 56 HZB LYS 56 -9.647 17.928 11.290 1047 H ALA 57 HN ALA 57 -4.320 15.454 5.866 1048 HA ALA 57 HA ALA 57 -3.049 13.014 5.581 1049 1HB ALA 57 HMB ALA 57 -2.508 15.162 4.427 1050 2HB ALA 57 HMB ALA 57 -1.645 15.677 5.898 1051 3HB ALA 57 HMB ALA 57 -1.090 14.244 4.996 1052 H GLU 58 HN GLU 58 -3.384 14.915 8.419 1053 HA GLU 58 HA GLU 58 -1.123 13.719 9.802 1054 1HB GLU 58 HBR GLU 58 -2.208 16.047 10.010 1055 2HB GLU 58 HBS GLU 58 -3.467 15.273 10.804 1056 1HG GLU 58 HGS GLU 58 -1.155 14.322 12.089 1057 2HG GLU 58 HGR GLU 58 -0.965 16.095 12.022 1058 H ASP 59 HN ASP 59 -4.426 12.918 9.225 1059 HA ASP 59 HA ASP 59 -4.441 10.894 11.361 1060 1HB ASP 59 HBS ASP 59 -6.470 12.193 9.763 1061 2HB ASP 59 HBR ASP 59 -6.632 10.413 9.736 1062 H ILE 60 HN ILE 60 -3.434 11.327 8.139 1063 HA ILE 60 HA ILE 60 -3.784 8.519 7.398 1064 HB ILE 60 HB ILE 60 -2.706 10.955 5.898 1065 1HG1 ILE 60 HG1 ILE 60 -5.057 11.120 6.410 1066 2HG1 ILE 60 HG1 ILE 60 -4.847 10.813 4.663 1067 1HG2 ILE 60 HMG ILE 60 -1.797 8.663 5.166 1068 2HG2 ILE 60 HMG ILE 60 -3.450 8.363 4.569 1069 3HG2 ILE 60 HMG ILE 60 -2.507 9.736 3.932 1070 1HD1 ILE 60 HMD ILE 60 -5.136 8.290 5.931 1071 2HD1 ILE 60 HMD ILE 60 -6.405 9.364 6.580 1072 3HD1 ILE 60 HMD ILE 60 -6.264 9.112 4.820 1073 H GLU 61 HN GLU 61 -1.100 10.833 7.846 1074 HA GLU 61 HA GLU 61 0.864 8.650 7.937 1075 1HB GLU 61 HBR GLU 61 1.026 11.632 8.414 1076 2HB GLU 61 HBS GLU 61 2.319 10.567 8.523 1077 1HG GLU 61 HGS GLU 61 2.501 10.078 6.312 1078 2HG GLU 61 HGR GLU 61 0.810 10.491 5.912 1079 H LEU 62 HN LEU 62 -1.455 9.223 9.975 1080 HA LEU 62 HA LEU 62 0.302 8.516 12.278 1081 1HB LEU 62 HBR LEU 62 -0.903 10.729 12.361 1082 2HB LEU 62 HBS LEU 62 -2.433 9.807 12.405 1083 HG LEU 62 HG LEU 62 -1.670 8.745 14.518 1084 1HD1 LEU 62 HMD LEU 62 0.614 10.698 14.140 1085 2HD1 LEU 62 HMD LEU 62 0.166 10.021 15.727 1086 3HD1 LEU 62 HMD LEU 62 0.695 8.939 14.413 1087 1HD2 LEU 62 HMD LEU 62 -3.003 10.974 14.153 1088 2HD2 LEU 62 HMD LEU 62 -2.445 10.521 15.784 1089 3HD2 LEU 62 HMD LEU 62 -1.541 11.731 14.836 1090 H ALA 63 HN ALA 63 -2.156 7.571 10.100 1091 HA ALA 63 HA ALA 63 -2.759 5.129 11.685 1092 1HB ALA 63 HMB ALA 63 -4.524 6.387 10.293 1093 2HB ALA 63 HMB ALA 63 -3.684 5.707 8.876 1094 3HB ALA 63 HMB ALA 63 -4.391 4.620 10.098 1095 H VAL 64 HN VAL 64 -1.028 6.424 8.897 1096 HA VAL 64 HA VAL 64 0.291 3.943 8.163 1097 HB VAL 64 HB VAL 64 0.862 6.869 7.678 1098 1HG1 VAL 64 HMG VAL 64 3.004 5.684 7.729 1099 2HG1 VAL 64 HMG VAL 64 2.392 4.516 6.533 1100 3HG1 VAL 64 HMG VAL 64 2.591 6.228 6.085 1101 1HG2 VAL 64 HMG VAL 64 -0.767 4.885 6.365 1102 2HG2 VAL 64 HMG VAL 64 -0.637 6.638 6.076 1103 3HG2 VAL 64 HMG VAL 64 0.480 5.516 5.262 1104 H ARG 65 HN ARG 65 1.764 6.875 9.544 1105 HA ARG 65 HA ARG 65 4.077 5.572 10.138 1106 1HB ARG 65 HBR ARG 65 3.822 8.018 9.996 1107 2HB ARG 65 HBS ARG 65 3.033 8.019 11.600 1108 1HG ARG 65 HGS ARG 65 5.279 6.811 12.321 1109 2HG ARG 65 HGR ARG 65 5.914 7.634 10.868 1110 1HD ARG 65 HDS ARG 65 6.148 9.457 12.077 1111 2HD ARG 65 HDR ARG 65 4.368 9.540 12.206 1112 HE ARG 65 HE ARG 65 5.873 7.907 14.163 1113 1HH1 ARG 65 HH1 ARG 65 4.210 10.936 13.459 1114 2HH1 ARG 65 HH1 ARG 65 3.792 11.217 15.116 1115 1HH2 ARG 65 HH2 ARG 65 5.195 8.243 16.300 1116 2HH2 ARG 65 HH2 ARG 65 4.350 9.695 16.724 1117 H ARG 66 HN ARG 66 1.183 5.483 11.979 1118 HA ARG 66 HA ARG 66 2.381 4.823 14.491 1119 1HB ARG 66 HBR ARG 66 0.157 5.801 14.338 1120 2HB ARG 66 HBS ARG 66 -0.441 4.358 13.472 1121 1HG ARG 66 HGS ARG 66 0.145 3.006 15.516 1122 2HG ARG 66 HGR ARG 66 0.473 4.548 16.357 1123 1HD ARG 66 HDS ARG 66 -1.668 4.569 16.893 1124 2HD ARG 66 HDR ARG 66 -1.991 4.947 15.177 1125 HE ARG 66 HE ARG 66 -1.758 2.141 15.457 1126 1HH1 ARG 66 HH1 ARG 66 -3.971 4.817 16.062 1127 2HH1 ARG 66 HH1 ARG 66 -5.353 3.783 16.207 1128 1HH2 ARG 66 HH2 ARG 66 -3.566 0.812 15.778 1129 2HH2 ARG 66 HH2 ARG 66 -5.125 1.517 16.045 1130 H PHE 67 HN PHE 67 1.784 3.032 11.630 1131 HA PHE 67 HA PHE 67 1.828 0.384 12.857 1132 1HB PHE 67 HBR PHE 67 2.568 1.110 9.992 1133 2HB PHE 67 HBS PHE 67 2.187 -0.508 10.649 1134 HD1 PHE 67 HD2 PHE 67 -0.266 0.440 12.350 1135 HD2 PHE 67 HD1 PHE 67 0.969 1.007 8.311 1136 HE1 PHE 67 HE2 PHE 67 -2.626 0.744 11.675 1137 HE2 PHE 67 HE1 PHE 67 -1.372 1.172 7.598 1138 HZ PHE 67 HZ PHE 67 -3.173 1.061 9.278 1139 H LYS 68 HN LYS 68 4.159 2.068 10.717 1140 HA LYS 68 HA LYS 68 6.335 0.457 11.497 1141 1HB LYS 68 HBR LYS 68 6.029 2.000 9.428 1142 2HB LYS 68 HBS LYS 68 6.705 3.271 10.485 1143 1HG LYS 68 HGR LYS 68 8.190 0.679 10.316 1144 2HG LYS 68 HGS LYS 68 8.237 1.756 8.890 1145 1HD LYS 68 HDS LYS 68 9.673 3.122 9.835 1146 2HD LYS 68 HDR LYS 68 8.655 3.307 11.237 1147 1HE LYS 68 HES LYS 68 10.344 2.379 12.352 1148 2HE LYS 68 HER LYS 68 9.672 0.851 11.715 1149 1HZ LYS 68 HZA LYS 68 11.227 1.649 9.726 1150 2HZ LYS 68 HZB LYS 68 12.080 2.222 10.994 1151 3HZ LYS 68 HZC LYS 68 11.714 0.634 10.908 1152 H LYS 69 HN LYS 69 7.013 0.323 13.519 1153 HA LYS 69 HA LYS 69 7.790 0.879 15.606 1154 1HB LYS 69 HBR LYS 69 8.776 2.985 13.992 1155 2HB LYS 69 HBS LYS 69 8.027 3.744 15.426 1156 1HG LYS 69 HGR LYS 69 10.469 3.256 15.691 1157 2HG LYS 69 HGS LYS 69 9.434 2.469 16.916 1158 1HD LYS 69 HDS LYS 69 9.740 0.718 14.672 1159 2HD LYS 69 HDR LYS 69 11.310 1.311 15.140 1160 1HE LYS 69 HES LYS 69 11.306 0.281 17.154 1161 2HE LYS 69 HER LYS 69 9.534 0.418 17.327 1162 1HZ LYS 69 HZA LYS 69 9.777 -1.223 15.258 1163 2HZ LYS 69 HZB LYS 69 11.091 -1.659 16.123 1164 3HZ LYS 69 HZC LYS 69 9.607 -1.723 16.803 No H/Q in entry = 1164 Start of MODEL 32 Raw file had 1198 H/Q atoms Start of MODEL 32 1 1H MET 1 HNB MET 1 3.834 4.685 -11.266 2 2H MET 1 HNC MET 1 4.124 5.065 -12.828 3 3H MET 1 HN MET 1 4.871 5.892 -11.634 4 HA MET 1 HA MET 1 3.325 7.388 -12.091 5 1HB MET 1 HBS MET 1 1.905 4.988 -13.143 6 2HB MET 1 HBR MET 1 0.901 6.373 -12.622 7 1HG MET 1 HGS MET 1 2.028 7.860 -14.156 8 2HG MET 1 HGR MET 1 3.278 6.638 -14.498 9 1HE MET 1 HME MET 1 -0.440 7.290 -14.272 10 2HE MET 1 HME MET 1 -1.198 6.399 -15.615 11 3HE MET 1 HME MET 1 -0.681 5.529 -14.148 12 H GLU 2 HN GLU 2 1.255 8.086 -10.983 13 HA GLU 2 HA GLU 2 1.512 7.145 -8.186 14 1HB GLU 2 HBS GLU 2 0.555 9.645 -9.513 15 2HB GLU 2 HBR GLU 2 0.468 9.459 -7.848 16 1HG GLU 2 HGS GLU 2 3.107 8.834 -8.307 17 2HG GLU 2 HGR GLU 2 2.847 9.993 -9.639 18 H LEU 3 HN LEU 3 -0.371 7.269 -6.798 19 HA LEU 3 HA LEU 3 -2.628 5.965 -8.105 20 1HB LEU 3 HBS LEU 3 -2.473 6.454 -5.164 21 2HB LEU 3 HBR LEU 3 -3.006 5.009 -6.066 22 HG LEU 3 HG LEU 3 -0.158 5.871 -5.502 23 1HD1 LEU 3 HMD LEU 3 -1.668 4.720 -3.727 24 2HD1 LEU 3 HMD LEU 3 -1.481 3.272 -4.748 25 3HD1 LEU 3 HMD LEU 3 -0.044 4.058 -4.047 26 1HD2 LEU 3 HMD LEU 3 -0.912 4.728 -7.788 27 2HD2 LEU 3 HMD LEU 3 0.584 4.258 -6.942 28 3HD2 LEU 3 HMD LEU 3 -0.886 3.265 -6.770 29 HA PRO 4 HA PRO 4 -4.893 9.830 -8.287 30 1HB PRO 4 HBR PRO 4 -6.912 8.517 -9.540 31 2HB PRO 4 HBS PRO 4 -5.799 9.488 -10.255 32 1HG PRO 4 HGS PRO 4 -5.928 6.704 -10.268 33 2HG PRO 4 HGR PRO 4 -5.101 7.711 -11.313 34 1HD PRO 4 HDR PRO 4 -3.942 6.236 -9.428 35 2HD PRO 4 HDS PRO 4 -3.249 7.565 -10.129 36 H ILE 5 HN ILE 5 -6.479 10.747 -7.145 37 HA ILE 5 HA ILE 5 -7.089 9.523 -4.737 38 HB ILE 5 HB ILE 5 -8.677 11.375 -4.365 39 1HG1 ILE 5 HG1 ILE 5 -9.640 11.183 -6.713 40 2HG1 ILE 5 HG1 ILE 5 -9.480 12.828 -6.033 41 1HG2 ILE 5 HMG ILE 5 -5.950 11.678 -5.038 42 2HG2 ILE 5 HMG ILE 5 -6.818 13.084 -5.708 43 3HG2 ILE 5 HMG ILE 5 -6.954 12.696 -3.972 44 1HD1 ILE 5 HMD ILE 5 -7.089 12.428 -7.399 45 2HD1 ILE 5 HMD ILE 5 -8.323 11.678 -8.446 46 3HD1 ILE 5 HMD ILE 5 -8.490 13.383 -7.950 47 H ALA 6 HN ALA 6 -8.692 9.230 -7.801 48 HA ALA 6 HA ALA 6 -11.327 8.670 -6.855 49 1HB ALA 6 HMB ALA 6 -9.878 8.682 -9.404 50 2HB ALA 6 HMB ALA 6 -11.130 7.419 -9.299 51 3HB ALA 6 HMB ALA 6 -11.562 9.127 -9.031 52 HA PRO 7 HA PRO 7 -10.180 4.073 -7.848 53 1HB PRO 7 HBR PRO 7 -7.498 3.628 -7.691 54 2HB PRO 7 HBS PRO 7 -8.424 3.530 -9.044 55 1HG PRO 7 HGS PRO 7 -6.654 5.545 -8.308 56 2HG PRO 7 HGR PRO 7 -7.296 5.228 -9.816 57 1HD PRO 7 HDR PRO 7 -8.020 7.274 -8.271 58 2HD PRO 7 HDS PRO 7 -8.926 6.679 -9.520 59 H ILE 8 HN ILE 8 -8.713 5.988 -5.519 60 HA ILE 8 HA ILE 8 -8.482 3.689 -3.662 61 HB ILE 8 HB ILE 8 -7.189 6.459 -3.667 62 1HG1 ILE 8 HG1 ILE 8 -5.947 3.711 -4.069 63 2HG1 ILE 8 HG1 ILE 8 -6.439 4.808 -5.390 64 1HG2 ILE 8 HMG ILE 8 -6.856 4.191 -1.693 65 2HG2 ILE 8 HMG ILE 8 -5.782 5.610 -1.806 66 3HG2 ILE 8 HMG ILE 8 -7.500 5.824 -1.375 67 1HD1 ILE 8 HMD ILE 8 -4.572 5.860 -3.307 68 2HD1 ILE 8 HMD ILE 8 -3.941 4.702 -4.509 69 3HD1 ILE 8 HMD ILE 8 -4.683 6.231 -5.049 70 H GLY 9 HN GLY 9 -10.076 6.761 -4.182 71 1HA GLY 9 HAS GLY 9 -10.664 7.495 -1.554 72 2HA GLY 9 HAR GLY 9 -11.620 7.974 -2.982 73 H ARG 10 HN ARG 10 -12.359 5.292 -3.755 74 HA ARG 10 HA ARG 10 -14.683 5.046 -2.105 75 1HB ARG 10 HBR ARG 10 -14.519 4.659 -4.609 76 2HB ARG 10 HBS ARG 10 -13.776 3.080 -4.221 77 1HG ARG 10 HGS ARG 10 -15.895 2.675 -2.795 78 2HG ARG 10 HGR ARG 10 -16.595 4.037 -3.715 79 1HD ARG 10 HDS ARG 10 -17.169 1.922 -4.731 80 2HD ARG 10 HDR ARG 10 -16.105 2.878 -5.801 81 HE ARG 10 HE ARG 10 -14.668 1.095 -5.757 82 1HH1 ARG 10 HH1 ARG 10 -16.662 0.924 -2.855 83 2HH1 ARG 10 HH1 ARG 10 -15.790 -0.423 -2.204 84 1HH2 ARG 10 HH2 ARG 10 -13.471 -0.583 -4.814 85 2HH2 ARG 10 HH2 ARG 10 -13.985 -1.277 -3.312 86 H ILE 11 HN ILE 11 -11.577 3.531 -2.119 87 HA ILE 11 HA ILE 11 -12.228 1.159 -0.615 88 HB ILE 11 HB ILE 11 -9.653 2.784 -0.887 89 1HG1 ILE 11 HG1 ILE 11 -10.725 0.311 -2.284 90 2HG1 ILE 11 HG1 ILE 11 -10.340 1.904 -2.995 91 1HG2 ILE 11 HMG ILE 11 -10.288 0.547 0.865 92 2HG2 ILE 11 HMG ILE 11 -8.922 0.199 -0.227 93 3HG2 ILE 11 HMG ILE 11 -8.869 1.628 0.839 94 1HD1 ILE 11 HMD ILE 11 -7.915 1.295 -2.064 95 2HD1 ILE 11 HMD ILE 11 -8.544 -0.361 -2.266 96 3HD1 ILE 11 HMD ILE 11 -8.494 0.749 -3.661 97 H ILE 12 HN ILE 12 -11.054 4.425 0.263 98 HA ILE 12 HA ILE 12 -10.803 3.840 3.011 99 HB ILE 12 HB ILE 12 -11.196 6.608 1.784 100 1HG1 ILE 12 HG1 ILE 12 -9.632 5.524 0.365 101 2HG1 ILE 12 HG1 ILE 12 -8.696 6.588 1.453 102 1HG2 ILE 12 HMG ILE 12 -10.739 5.843 4.411 103 2HG2 ILE 12 HMG ILE 12 -9.133 6.333 3.811 104 3HG2 ILE 12 HMG ILE 12 -10.507 7.466 3.709 105 1HD1 ILE 12 HMD ILE 12 -9.066 3.695 2.163 106 2HD1 ILE 12 HMD ILE 12 -7.865 4.163 0.931 107 3HD1 ILE 12 HMD ILE 12 -7.744 4.817 2.586 108 H LYS 13 HN LYS 13 -13.510 4.957 1.093 109 HA LYS 13 HA LYS 13 -15.128 5.974 3.287 110 1HB LYS 13 HBS LYS 13 -15.397 6.485 0.777 111 2HB LYS 13 HBR LYS 13 -16.168 4.877 0.671 112 1HG LYS 13 HGR LYS 13 -18.108 5.731 1.374 113 2HG LYS 13 HGS LYS 13 -17.332 6.330 2.867 114 1HD LYS 13 HDS LYS 13 -17.647 8.390 2.201 115 2HD LYS 13 HDR LYS 13 -16.505 8.100 0.917 116 1HE LYS 13 HES LYS 13 -18.721 9.041 0.206 117 2HE LYS 13 HER LYS 13 -18.160 7.574 -0.646 118 1HZ LYS 13 HZB LYS 13 -19.685 6.900 1.608 119 2HZ LYS 13 HZC LYS 13 -20.538 7.918 0.657 120 3HZ LYS 13 HZA LYS 13 -19.947 6.526 0.041 121 H ASP 14 HN ASP 14 -14.661 2.899 1.575 122 HA ASP 14 HA ASP 14 -16.557 1.401 2.800 123 1HB ASP 14 HBS ASP 14 -15.049 0.686 0.970 124 2HB ASP 14 HBR ASP 14 -13.779 0.398 2.196 125 H ALA 15 HN ALA 15 -13.395 2.268 4.109 126 HA ALA 15 HA ALA 15 -13.561 1.111 6.639 127 1HB ALA 15 HMB ALA 15 -12.067 3.168 5.341 128 2HB ALA 15 HMB ALA 15 -12.583 3.759 6.941 129 3HB ALA 15 HMB ALA 15 -11.665 2.237 6.806 130 H GLY 16 HN GLY 16 -14.983 4.164 5.473 131 1HA GLY 16 HAR GLY 16 -17.215 4.610 6.676 132 2HA GLY 16 HAS GLY 16 -16.220 4.611 8.155 133 H ALA 17 HN ALA 17 -14.290 5.805 5.720 134 HA ALA 17 HA ALA 17 -14.481 8.510 6.449 135 1HB ALA 17 HMB ALA 17 -13.205 7.009 4.178 136 2HB ALA 17 HMB ALA 17 -13.176 8.791 4.222 137 3HB ALA 17 HMB ALA 17 -12.453 7.855 5.555 138 H GLU 18 HN GLU 18 -14.796 10.301 4.808 139 HA GLU 18 HA GLU 18 -16.999 10.037 2.909 140 1HB GLU 18 HBR GLU 18 -17.981 9.644 5.167 141 2HB GLU 18 HBS GLU 18 -17.317 11.095 5.684 142 1HG GLU 18 HGS GLU 18 -18.619 12.107 3.592 143 2HG GLU 18 HGR GLU 18 -19.750 10.777 3.964 144 H ARG 19 HN ARG 19 -15.284 12.151 5.233 145 HA ARG 19 HA ARG 19 -14.633 13.942 2.968 146 1HB ARG 19 HBR ARG 19 -16.324 14.662 5.202 147 2HB ARG 19 HBS ARG 19 -14.809 15.608 5.230 148 1HG ARG 19 HGS ARG 19 -15.362 16.798 3.390 149 2HG ARG 19 HGR ARG 19 -16.143 15.405 2.590 150 1HD ARG 19 HDS ARG 19 -18.012 15.665 4.260 151 2HD ARG 19 HDR ARG 19 -17.264 17.222 4.714 152 HE ARG 19 HE ARG 19 -18.611 16.579 2.174 153 1HH1 ARG 19 HH1 ARG 19 -16.511 18.828 3.894 154 2HH1 ARG 19 HH1 ARG 19 -17.039 20.196 2.972 155 1HH2 ARG 19 HH2 ARG 19 -19.371 18.411 1.078 156 2HH2 ARG 19 HH2 ARG 19 -18.657 19.960 1.377 157 H VAL 20 HN VAL 20 -12.881 15.514 3.696 158 HA VAL 20 HA VAL 20 -10.951 14.292 5.555 159 HB VAL 20 HB VAL 20 -10.518 14.461 2.565 160 1HG1 VAL 20 HMG VAL 20 -8.631 13.921 4.832 161 2HG1 VAL 20 HMG VAL 20 -8.387 13.120 3.262 162 3HG1 VAL 20 HMG VAL 20 -8.402 14.897 3.361 163 1HG2 VAL 20 HMG VAL 20 -10.914 12.113 4.422 164 2HG2 VAL 20 HMG VAL 20 -11.872 12.574 2.994 165 3HG2 VAL 20 HMG VAL 20 -10.211 11.966 2.793 166 H SER 21 HN SER 21 -8.898 15.531 5.593 167 HA SER 21 HA SER 21 -9.533 18.402 5.727 168 1HB SER 21 HBS SER 21 -8.323 17.339 7.582 169 2HB SER 21 HBR SER 21 -6.983 16.938 6.468 170 HG SER 21 HG SER 21 -6.166 18.765 6.818 171 H ASP 22 HN ASP 22 -7.093 19.505 5.173 172 HA ASP 22 HA ASP 22 -7.421 19.920 2.421 173 1HB ASP 22 HBS ASP 22 -6.267 21.312 4.401 174 2HB ASP 22 HBR ASP 22 -4.815 20.701 3.557 175 H ASP 23 HN ASP 23 -5.726 17.472 4.070 176 HA ASP 23 HA ASP 23 -5.516 16.023 1.693 177 1HB ASP 23 HBR ASP 23 -3.157 15.751 1.351 178 2HB ASP 23 HBS ASP 23 -3.645 17.457 1.142 179 H ALA 24 HN ALA 24 -5.834 14.030 2.221 180 HA ALA 24 HA ALA 24 -4.223 12.827 4.321 181 1HB ALA 24 HMB ALA 24 -6.627 13.636 5.202 182 2HB ALA 24 HMB ALA 24 -7.082 12.053 4.522 183 3HB ALA 24 HMB ALA 24 -5.816 12.155 5.772 184 H ARG 25 HN ARG 25 -7.201 12.002 2.498 185 HA ARG 25 HA ARG 25 -6.344 9.451 1.751 186 1HB ARG 25 HBR ARG 25 -8.162 9.404 0.194 187 2HB ARG 25 HBS ARG 25 -8.688 10.250 1.677 188 1HG ARG 25 HGS ARG 25 -9.025 12.215 0.601 189 2HG ARG 25 HGR ARG 25 -7.655 11.967 -0.518 190 1HD ARG 25 HDS ARG 25 -10.455 10.888 -0.666 191 2HD ARG 25 HDR ARG 25 -9.555 11.869 -1.858 192 HE ARG 25 HE ARG 25 -9.649 9.061 -1.789 193 1HH1 ARG 25 HH1 ARG 25 -7.347 11.688 -2.269 194 2HH1 ARG 25 HH1 ARG 25 -6.179 10.669 -3.039 195 1HH2 ARG 25 HH2 ARG 25 -8.048 7.737 -2.695 196 2HH2 ARG 25 HH2 ARG 25 -6.577 8.435 -3.286 197 H ILE 26 HN ILE 26 -5.458 12.526 0.483 198 HA ILE 26 HA ILE 26 -4.364 11.455 -1.996 199 HB ILE 26 HB ILE 26 -4.108 14.178 -0.630 200 1HG1 ILE 26 HG1 ILE 26 -5.638 13.691 -3.170 201 2HG1 ILE 26 HG1 ILE 26 -6.348 13.155 -1.621 202 1HG2 ILE 26 HMG ILE 26 -2.712 13.077 -2.948 203 2HG2 ILE 26 HMG ILE 26 -3.587 14.591 -3.300 204 3HG2 ILE 26 HMG ILE 26 -2.382 14.543 -1.985 205 1HD1 ILE 26 HMD ILE 26 -5.807 15.598 -0.853 206 2HD1 ILE 26 HMD ILE 26 -5.772 15.931 -2.605 207 3HD1 ILE 26 HMD ILE 26 -7.247 15.267 -1.852 208 H THR 27 HN THR 27 -3.223 12.296 1.239 209 HA THR 27 HA THR 27 -0.440 11.654 0.826 210 HB THR 27 HB THR 27 -2.219 11.563 3.327 211 HG1 THR 27 HG1 THR 27 -0.216 13.143 2.391 212 1HG2 THR 27 HMG THR 27 0.239 10.289 3.061 213 2HG2 THR 27 HMG THR 27 0.623 11.835 3.860 214 3HG2 THR 27 HMG THR 27 -0.587 10.739 4.576 215 H LEU 28 HN LEU 28 -3.190 9.806 2.202 216 HA LEU 28 HA LEU 28 -1.861 7.407 2.449 217 1HB LEU 28 HBS LEU 28 -3.990 8.015 3.477 218 2HB LEU 28 HBR LEU 28 -4.800 7.920 1.888 219 HG LEU 28 HG LEU 28 -4.614 5.566 1.824 220 1HD1 LEU 28 HMD LEU 28 -2.656 5.972 4.069 221 2HD1 LEU 28 HMD LEU 28 -3.560 4.442 3.940 222 3HD1 LEU 28 HMD LEU 28 -2.513 4.973 2.601 223 1HD2 LEU 28 HMD LEU 28 -6.355 6.582 3.271 224 2HD2 LEU 28 HMD LEU 28 -5.865 4.955 3.811 225 3HD2 LEU 28 HMD LEU 28 -5.265 6.397 4.669 226 H ALA 29 HN ALA 29 -2.920 8.931 -0.435 227 HA ALA 29 HA ALA 29 -3.047 6.436 -2.018 228 1HB ALA 29 HMB ALA 29 -3.991 9.167 -2.310 229 2HB ALA 29 HMB ALA 29 -3.073 8.624 -3.738 230 3HB ALA 29 HMB ALA 29 -4.475 7.681 -3.169 231 H LYS 30 HN LYS 30 -1.043 9.304 -1.447 232 HA LYS 30 HA LYS 30 1.070 8.500 -3.267 233 1HB LYS 30 HBR LYS 30 0.505 10.849 -2.156 234 2HB LYS 30 HBS LYS 30 1.611 10.236 -0.894 235 1HG LYS 30 HGR LYS 30 3.138 11.299 -2.234 236 2HG LYS 30 HGS LYS 30 3.133 9.695 -3.024 237 1HD LYS 30 HDS LYS 30 2.337 10.488 -4.917 238 2HD LYS 30 HDR LYS 30 1.050 11.335 -4.103 239 1HE LYS 30 HES LYS 30 2.486 12.837 -5.408 240 2HE LYS 30 HER LYS 30 2.436 13.231 -3.666 241 1HZ LYS 30 HZC LYS 30 4.527 12.006 -3.462 242 2HZ LYS 30 HZA LYS 30 4.587 11.819 -5.083 243 3HZ LYS 30 HZB LYS 30 4.660 13.314 -4.431 244 H ILE 31 HN ILE 31 0.005 7.567 -0.137 245 HA ILE 31 HA ILE 31 2.606 7.091 0.931 246 HB ILE 31 HB ILE 31 0.268 7.708 2.039 247 1HG1 ILE 31 HG1 ILE 31 2.023 5.958 3.733 248 2HG1 ILE 31 HG1 ILE 31 2.734 7.376 2.909 249 1HG2 ILE 31 HMG ILE 31 -0.723 5.420 1.494 250 2HG2 ILE 31 HMG ILE 31 0.308 4.796 2.807 251 3HG2 ILE 31 HMG ILE 31 -0.911 6.050 3.152 252 1HD1 ILE 31 HMD ILE 31 0.196 7.784 4.419 253 2HD1 ILE 31 HMD ILE 31 1.686 7.515 5.363 254 3HD1 ILE 31 HMD ILE 31 1.596 8.869 4.205 255 H LEU 32 HN LEU 32 0.194 5.060 -0.629 256 HA LEU 32 HA LEU 32 1.552 2.619 0.054 257 1HB LEU 32 HBR LEU 32 -0.902 3.544 -1.322 258 2HB LEU 32 HBS LEU 32 -0.273 1.953 -1.836 259 HG LEU 32 HG LEU 32 -0.356 2.118 1.046 260 1HD1 LEU 32 HMD LEU 32 -2.529 3.439 -0.328 261 2HD1 LEU 32 HMD LEU 32 -3.111 1.961 0.478 262 3HD1 LEU 32 HMD LEU 32 -2.259 3.212 1.419 263 1HD2 LEU 32 HMD LEU 32 -0.310 0.139 -0.542 264 2HD2 LEU 32 HMD LEU 32 -1.499 0.049 0.780 265 3HD2 LEU 32 HMD LEU 32 -2.030 0.471 -0.868 266 H GLU 33 HN GLU 33 1.588 4.826 -2.658 267 HA GLU 33 HA GLU 33 2.560 2.990 -4.684 268 1HB GLU 33 HBR GLU 33 2.764 4.913 -5.971 269 2HB GLU 33 HBS GLU 33 1.386 5.080 -5.026 270 1HG GLU 33 HGS GLU 33 2.006 7.072 -4.373 271 2HG GLU 33 HGR GLU 33 3.287 6.329 -3.377 272 H GLU 34 HN GLU 34 3.953 5.119 -2.217 273 HA GLU 34 HA GLU 34 6.732 4.489 -2.870 274 1HB GLU 34 HBR GLU 34 5.211 5.817 -0.645 275 2HB GLU 34 HBS GLU 34 6.770 5.261 -0.365 276 1HG GLU 34 HGS GLU 34 5.960 7.387 -2.301 277 2HG GLU 34 HGR GLU 34 7.169 7.542 -0.996 278 H MET 35 HN MET 35 4.125 3.249 -0.830 279 HA MET 35 HA MET 35 5.842 1.174 0.266 280 1HB MET 35 HBR MET 35 3.471 2.466 1.054 281 2HB MET 35 HBS MET 35 3.017 0.771 0.741 282 1HG MET 35 HGS MET 35 3.705 0.722 3.002 283 2HG MET 35 HGR MET 35 5.130 0.149 2.106 284 1HE MET 35 HME MET 35 5.056 1.101 4.907 285 2HE MET 35 HME MET 35 6.782 1.137 4.464 286 3HE MET 35 HME MET 35 6.036 2.548 5.256 287 H GLY 36 HN GLY 36 5.234 1.344 -2.676 288 1HA GLY 36 HAR GLY 36 4.212 -1.439 -3.043 289 2HA GLY 36 HAS GLY 36 3.565 -0.077 -3.997 290 H ARG 37 HN ARG 37 5.974 1.369 -4.340 291 HA ARG 37 HA ARG 37 7.383 -0.106 -6.424 292 1HB ARG 37 HBR ARG 37 7.183 2.614 -5.545 293 2HB ARG 37 HBS ARG 37 8.898 2.116 -5.486 294 1HG ARG 37 HGS ARG 37 7.866 1.165 -7.944 295 2HG ARG 37 HGR ARG 37 7.275 2.840 -7.756 296 1HD ARG 37 HDS ARG 37 10.142 1.935 -7.468 297 2HD ARG 37 HDR ARG 37 9.431 2.707 -8.913 298 HE ARG 37 HE ARG 37 9.026 4.298 -6.550 299 1HH1 ARG 37 HH1 ARG 37 11.605 3.300 -8.738 300 2HH1 ARG 37 HH1 ARG 37 12.419 4.826 -8.649 301 1HH2 ARG 37 HH2 ARG 37 10.047 6.322 -6.564 302 2HH2 ARG 37 HH2 ARG 37 11.538 6.536 -7.418 303 H ASP 38 HN ASP 38 7.553 0.362 -2.989 304 HA ASP 38 HA ASP 38 10.407 -0.169 -2.869 305 1HB ASP 38 HBS ASP 38 9.374 1.576 -1.502 306 2HB ASP 38 HBR ASP 38 8.467 0.321 -0.610 307 H ILE 39 HN ILE 39 7.405 -1.863 -2.217 308 HA ILE 39 HA ILE 39 8.533 -4.157 -0.906 309 HB ILE 39 HB ILE 39 6.044 -4.089 -2.674 310 1HG1 ILE 39 HG1 ILE 39 6.411 -3.119 0.182 311 2HG1 ILE 39 HG1 ILE 39 5.862 -2.186 -1.239 312 1HG2 ILE 39 HMG ILE 39 6.782 -5.771 -0.269 313 2HG2 ILE 39 HMG ILE 39 5.202 -5.787 -1.098 314 3HG2 ILE 39 HMG ILE 39 6.670 -6.308 -1.968 315 1HD1 ILE 39 HMD ILE 39 4.307 -4.540 -0.158 316 2HD1 ILE 39 HMD ILE 39 4.092 -2.882 0.465 317 3HD1 ILE 39 HMD ILE 39 3.757 -3.241 -1.250 318 H ALA 40 HN ALA 40 8.337 -3.037 -4.215 319 HA ALA 40 HA ALA 40 9.048 -5.543 -5.504 320 1HB ALA 40 HMB ALA 40 8.971 -2.648 -6.271 321 2HB ALA 40 HMB ALA 40 9.922 -3.794 -7.250 322 3HB ALA 40 HMB ALA 40 8.177 -4.059 -7.014 323 H SER 41 HN SER 41 10.917 -2.524 -4.998 324 HA SER 41 HA SER 41 13.383 -3.635 -5.446 325 1HB SER 41 HBR SER 41 12.483 -1.199 -3.957 326 2HB SER 41 HBS SER 41 14.197 -1.699 -3.863 327 HG SER 41 HG SER 41 14.314 -1.815 -6.138 328 H GLU 42 HN GLU 42 11.399 -4.104 -2.705 329 HA GLU 42 HA GLU 42 13.587 -5.210 -1.062 330 1HB GLU 42 HBS GLU 42 10.876 -4.343 -0.825 331 2HB GLU 42 HBR GLU 42 10.955 -5.894 -0.191 332 1HG GLU 42 HGS GLU 42 11.394 -4.554 1.680 333 2HG GLU 42 HGR GLU 42 13.070 -4.917 1.190 334 H ALA 43 HN ALA 43 10.680 -6.305 -2.845 335 HA ALA 43 HA ALA 43 11.025 -9.113 -2.211 336 1HB ALA 43 HMB ALA 43 8.870 -7.997 -2.838 337 2HB ALA 43 HMB ALA 43 9.489 -7.873 -4.505 338 3HB ALA 43 HMB ALA 43 9.261 -9.475 -3.755 339 H ILE 44 HN ILE 44 12.542 -6.885 -4.322 340 HA ILE 44 HA ILE 44 13.002 -8.650 -6.464 341 HB ILE 44 HB ILE 44 13.099 -5.962 -6.065 342 1HG1 ILE 44 HG1 ILE 44 14.619 -6.740 -8.462 343 2HG1 ILE 44 HG1 ILE 44 13.181 -7.758 -8.158 344 1HG2 ILE 44 HMG ILE 44 16.006 -6.746 -6.238 345 2HG2 ILE 44 HMG ILE 44 15.371 -5.177 -6.799 346 3HG2 ILE 44 HMG ILE 44 15.194 -5.651 -5.089 347 1HD1 ILE 44 HMD ILE 44 12.679 -4.886 -7.825 348 2HD1 ILE 44 HMD ILE 44 13.194 -5.338 -9.472 349 3HD1 ILE 44 HMD ILE 44 11.768 -6.118 -8.738 350 H LYS 45 HN LYS 45 15.398 -7.345 -4.133 351 HA LYS 45 HA LYS 45 17.357 -9.396 -4.660 352 1HB LYS 45 HBS LYS 45 17.170 -7.901 -2.055 353 2HB LYS 45 HBR LYS 45 18.608 -8.479 -2.943 354 1HG LYS 45 HGR LYS 45 18.073 -6.749 -4.716 355 2HG LYS 45 HGS LYS 45 16.843 -6.094 -3.598 356 1HD LYS 45 HDS LYS 45 19.822 -6.253 -3.143 357 2HD LYS 45 HDR LYS 45 18.878 -4.829 -3.485 358 1HE LYS 45 HES LYS 45 17.558 -5.759 -1.305 359 2HE LYS 45 HER LYS 45 19.233 -6.283 -0.972 360 1HZ LYS 45 HZA LYS 45 19.925 -4.014 -1.348 361 2HZ LYS 45 HZB LYS 45 18.384 -3.542 -1.614 362 3HZ LYS 45 HZC LYS 45 18.828 -4.088 -0.141 363 H LEU 46 HN LEU 46 14.441 -9.230 -2.831 364 HA LEU 46 HA LEU 46 14.863 -11.462 -1.058 365 1HB LEU 46 HBS LEU 46 12.705 -9.736 -2.034 366 2HB LEU 46 HBR LEU 46 12.195 -11.430 -1.780 367 HG LEU 46 HG LEU 46 12.848 -11.324 0.542 368 1HD1 LEU 46 HMD LEU 46 14.532 -9.289 -0.361 369 2HD1 LEU 46 HMD LEU 46 13.343 -8.458 0.674 370 3HD1 LEU 46 HMD LEU 46 14.297 -9.815 1.326 371 1HD2 LEU 46 HMD LEU 46 10.655 -10.213 -0.456 372 2HD2 LEU 46 HMD LEU 46 11.058 -10.091 1.275 373 3HD2 LEU 46 HMD LEU 46 11.405 -8.727 0.181 374 H ALA 47 HN ALA 47 14.490 -11.056 -4.470 375 HA ALA 47 HA ALA 47 13.878 -13.883 -4.928 376 1HB ALA 47 HMB ALA 47 13.466 -11.509 -6.322 377 2HB ALA 47 HMB ALA 47 14.727 -12.359 -7.251 378 3HB ALA 47 HMB ALA 47 13.177 -13.168 -6.905 379 H ARG 48 HN ARG 48 16.637 -11.878 -4.520 380 HA ARG 48 HA ARG 48 18.390 -13.325 -6.293 381 1HB ARG 48 HBS ARG 48 18.430 -10.836 -5.176 382 2HB ARG 48 HBR ARG 48 19.607 -11.700 -4.144 383 1HG ARG 48 HGS ARG 48 19.740 -11.675 -7.172 384 2HG ARG 48 HGR ARG 48 20.572 -10.480 -6.138 385 1HD ARG 48 HDS ARG 48 21.708 -12.341 -4.983 386 2HD ARG 48 HDR ARG 48 20.948 -13.475 -6.134 387 HE ARG 48 HE ARG 48 22.229 -11.603 -7.718 388 1HH1 ARG 48 HH1 ARG 48 23.323 -13.542 -4.984 389 2HH1 ARG 48 HH1 ARG 48 24.884 -13.832 -5.674 390 1HH2 ARG 48 HH2 ARG 48 24.234 -12.111 -8.645 391 2HH2 ARG 48 HH2 ARG 48 25.402 -13.020 -7.746 392 H HIS 49 HN HIS 49 17.636 -13.402 -2.850 393 HA HIS 49 HA HIS 49 19.689 -15.242 -2.040 394 1HB HIS 49 HBS HIS 49 18.138 -13.913 -0.474 395 2HB HIS 49 HBR HIS 49 16.898 -15.144 -0.848 396 HD1 HIS 49 HD1 HIS 49 19.830 -14.540 1.345 397 HD2 HIS 49 HD2 HIS 49 17.737 -17.828 -0.124 398 HE1 HIS 49 HE1 HIS 49 20.595 -16.518 2.679 399 HE2 HIS 49 HE2 HIS 49 19.348 -18.515 1.779 400 H ALA 50 HN ALA 50 16.738 -15.480 -3.859 401 HA ALA 50 HA ALA 50 16.433 -18.345 -3.846 402 1HB ALA 50 HMB ALA 50 15.118 -16.180 -4.971 403 2HB ALA 50 HMB ALA 50 15.844 -17.010 -6.370 404 3HB ALA 50 HMB ALA 50 14.774 -17.904 -5.259 405 H GLY 51 HN GLY 51 18.275 -16.016 -5.827 406 1HA GLY 51 HAR GLY 51 20.493 -16.849 -6.589 407 2HA GLY 51 HAS GLY 51 19.651 -18.313 -7.163 408 H ARG 52 HN ARG 52 18.019 -15.260 -7.440 409 HA ARG 52 HA ARG 52 17.702 -13.737 -9.133 410 1HB ARG 52 HBR ARG 52 20.394 -14.417 -9.473 411 2HB ARG 52 HBS ARG 52 19.649 -14.678 -11.076 412 1HG ARG 52 HGS ARG 52 19.235 -12.462 -11.402 413 2HG ARG 52 HGR ARG 52 18.986 -12.137 -9.662 414 1HD ARG 52 HDS ARG 52 20.997 -11.227 -9.675 415 2HD ARG 52 HDR ARG 52 21.634 -12.890 -9.817 416 HE ARG 52 HE ARG 52 22.321 -12.361 -11.942 417 1HH1 ARG 52 HH1 ARG 52 19.480 -10.397 -11.236 418 2HH1 ARG 52 HH1 ARG 52 19.673 -9.415 -12.650 419 1HH2 ARG 52 HH2 ARG 52 22.615 -10.975 -13.710 420 2HH2 ARG 52 HH2 ARG 52 21.446 -9.743 -14.051 421 H LYS 53 HN LYS 53 15.760 -14.468 -9.763 422 HA LYS 53 HA LYS 53 15.617 -15.989 -12.220 423 1HB LYS 53 HBR LYS 53 15.512 -17.575 -9.991 424 2HB LYS 53 HBS LYS 53 13.788 -17.177 -10.235 425 1HG LYS 53 HGR LYS 53 13.658 -18.722 -11.841 426 2HG LYS 53 HGS LYS 53 14.902 -17.850 -12.782 427 1HD LYS 53 HDS LYS 53 16.642 -19.035 -11.434 428 2HD LYS 53 HDR LYS 53 15.368 -19.969 -10.698 429 1HE LYS 53 HES LYS 53 16.065 -19.935 -13.631 430 2HE LYS 53 HER LYS 53 16.382 -21.238 -12.451 431 1HZ LYS 53 HZB LYS 53 13.931 -21.286 -12.141 432 2HZ LYS 53 HZC LYS 53 13.781 -20.317 -13.447 433 3HZ LYS 53 HZA LYS 53 14.448 -21.801 -13.603 434 H THR 54 HN THR 54 13.291 -15.593 -9.541 435 HA THR 54 HA THR 54 11.769 -13.531 -10.961 436 HB THR 54 HB THR 54 10.762 -16.425 -10.761 437 HG1 THR 54 HG1 THR 54 11.100 -14.592 -12.738 438 1HG2 THR 54 HMG THR 54 9.256 -13.927 -10.893 439 2HG2 THR 54 HMG THR 54 8.888 -15.036 -12.239 440 3HG2 THR 54 HMG THR 54 8.714 -15.591 -10.554 441 H ILE 55 HN ILE 55 10.392 -12.474 -9.666 442 HA ILE 55 HA ILE 55 10.319 -12.890 -6.815 443 HB ILE 55 HB ILE 55 8.326 -11.347 -8.540 444 1HG1 ILE 55 HG1 ILE 55 10.543 -10.685 -9.223 445 2HG1 ILE 55 HG1 ILE 55 9.801 -9.378 -8.258 446 1HG2 ILE 55 HMG ILE 55 9.202 -10.990 -5.666 447 2HG2 ILE 55 HMG ILE 55 8.111 -9.900 -6.561 448 3HG2 ILE 55 HMG ILE 55 7.623 -11.585 -6.241 449 1HD1 ILE 55 HMD ILE 55 11.631 -11.379 -6.956 450 2HD1 ILE 55 HMD ILE 55 12.295 -10.004 -7.876 451 3HD1 ILE 55 HMD ILE 55 11.240 -9.709 -6.468 452 H LYS 56 HN LYS 56 8.286 -13.312 -5.651 453 HA LYS 56 HA LYS 56 6.003 -14.386 -6.935 454 1HB LYS 56 HBR LYS 56 6.022 -16.678 -6.164 455 2HB LYS 56 HBS LYS 56 7.394 -16.382 -7.270 456 1HG LYS 56 HGR LYS 56 8.426 -15.886 -4.709 457 2HG LYS 56 HGS LYS 56 7.389 -17.328 -4.511 458 1HD LYS 56 HDS LYS 56 9.729 -16.973 -6.376 459 2HD LYS 56 HDR LYS 56 9.606 -18.015 -4.984 460 1HE LYS 56 HES LYS 56 8.345 -18.334 -7.673 461 2HE LYS 56 HER LYS 56 9.309 -19.484 -6.704 462 1HZ LYS 56 HZC LYS 56 6.608 -18.574 -5.989 463 2HZ LYS 56 HZA LYS 56 6.934 -19.981 -6.751 464 3HZ LYS 56 HZB LYS 56 7.483 -19.729 -5.234 465 H ALA 57 HN ALA 57 4.865 -15.887 -5.003 466 HA ALA 57 HA ALA 57 3.941 -13.776 -3.396 467 1HB ALA 57 HMB ALA 57 3.466 -16.762 -3.245 468 2HB ALA 57 HMB ALA 57 2.564 -15.547 -2.302 469 3HB ALA 57 HMB ALA 57 2.480 -15.535 -4.081 470 H GLU 58 HN GLU 58 6.518 -15.991 -2.900 471 HA GLU 58 HA GLU 58 6.700 -15.315 -0.001 472 1HB GLU 58 HBS GLU 58 8.500 -17.005 -1.661 473 2HB GLU 58 HBR GLU 58 8.463 -16.968 0.015 474 1HG GLU 58 HGS GLU 58 5.990 -17.727 -1.529 475 2HG GLU 58 HGR GLU 58 7.270 -18.966 -1.418 476 H ASP 59 HN ASP 59 7.095 -13.619 -2.566 477 HA ASP 59 HA ASP 59 9.562 -12.382 -1.476 478 1HB ASP 59 HBR ASP 59 8.562 -12.141 -4.313 479 2HB ASP 59 HBS ASP 59 10.020 -11.384 -3.609 480 H ILE 60 HN ILE 60 6.211 -12.081 -2.266 481 HA ILE 60 HA ILE 60 6.312 -9.166 -2.256 482 HB ILE 60 HB ILE 60 4.153 -11.225 -2.903 483 1HG1 ILE 60 HG1 ILE 60 5.943 -11.130 -4.500 484 2HG1 ILE 60 HG1 ILE 60 4.481 -10.391 -5.216 485 1HG2 ILE 60 HMG ILE 60 3.331 -8.932 -1.951 486 2HG2 ILE 60 HMG ILE 60 3.786 -8.330 -3.567 487 3HG2 ILE 60 HMG ILE 60 2.581 -9.635 -3.409 488 1HD1 ILE 60 HMD ILE 60 5.936 -8.293 -4.003 489 2HD1 ILE 60 HMD ILE 60 7.117 -9.283 -4.899 490 3HD1 ILE 60 HMD ILE 60 5.698 -8.607 -5.742 491 H GLU 61 HN GLU 61 4.630 -11.755 -0.455 492 HA GLU 61 HA GLU 61 3.571 -9.921 1.555 493 1HB GLU 61 HBR GLU 61 3.723 -12.882 1.093 494 2HB GLU 61 HBS GLU 61 3.462 -12.312 2.651 495 1HG GLU 61 HGS GLU 61 1.712 -10.795 1.057 496 2HG GLU 61 HGR GLU 61 1.450 -12.492 0.569 497 H LEU 62 HN LEU 62 6.551 -11.527 0.900 498 HA LEU 62 HA LEU 62 7.524 -11.331 3.632 499 1HB LEU 62 HBR LEU 62 8.121 -12.730 1.258 500 2HB LEU 62 HBS LEU 62 9.556 -11.729 1.621 501 HG LEU 62 HG LEU 62 8.339 -13.449 3.760 502 1HD1 LEU 62 HMD LEU 62 10.176 -14.309 1.504 503 2HD1 LEU 62 HMD LEU 62 9.892 -15.250 2.990 504 3HD1 LEU 62 HMD LEU 62 8.546 -14.929 1.867 505 1HD2 LEU 62 HMD LEU 62 10.760 -11.883 3.304 506 2HD2 LEU 62 HMD LEU 62 10.082 -12.530 4.819 507 3HD2 LEU 62 HMD LEU 62 11.117 -13.558 3.797 508 H ALA 63 HN ALA 63 8.204 -9.686 0.530 509 HA ALA 63 HA ALA 63 9.904 -7.646 1.588 510 1HB ALA 63 HMB ALA 63 8.091 -7.763 -0.834 511 2HB ALA 63 HMB ALA 63 9.185 -6.405 -0.467 512 3HB ALA 63 HMB ALA 63 9.852 -8.031 -0.761 513 H VAL 64 HN VAL 64 6.423 -8.121 1.458 514 HA VAL 64 HA VAL 64 5.679 -5.556 2.553 515 HB VAL 64 HB VAL 64 4.389 -8.268 2.330 516 1HG1 VAL 64 HMG VAL 64 3.529 -6.037 4.085 517 2HG1 VAL 64 HMG VAL 64 2.275 -6.763 3.054 518 3HG1 VAL 64 HMG VAL 64 3.198 -7.782 4.183 519 1HG2 VAL 64 HMG VAL 64 4.642 -6.188 0.564 520 2HG2 VAL 64 HMG VAL 64 3.430 -7.491 0.493 521 3HG2 VAL 64 HMG VAL 64 3.017 -5.930 1.244 522 H ARG 65 HN ARG 65 5.594 -8.745 4.166 523 HA ARG 65 HA ARG 65 5.491 -7.779 6.694 524 1HB ARG 65 HBS ARG 65 5.219 -10.174 5.894 525 2HB ARG 65 HBR ARG 65 6.991 -10.329 6.054 526 1HG ARG 65 HGS ARG 65 6.895 -10.511 8.292 527 2HG ARG 65 HGR ARG 65 5.648 -9.241 8.442 528 1HD ARG 65 HDS ARG 65 4.141 -10.800 8.803 529 2HD ARG 65 HDR ARG 65 4.435 -11.433 7.159 530 HE ARG 65 HE ARG 65 6.261 -12.337 9.279 531 1HH1 ARG 65 HH1 ARG 65 3.667 -13.054 7.003 532 2HH1 ARG 65 HH1 ARG 65 3.671 -14.748 7.362 533 1HH2 ARG 65 HH2 ARG 65 6.150 -14.536 9.817 534 2HH2 ARG 65 HH2 ARG 65 5.077 -15.588 8.953 535 H ARG 66 HN ARG 66 8.275 -7.766 4.688 536 HA ARG 66 HA ARG 66 10.213 -7.346 6.753 537 1HB ARG 66 HBR ARG 66 10.812 -8.005 4.469 538 2HB ARG 66 HBS ARG 66 10.242 -6.424 3.861 539 1HG ARG 66 HGS ARG 66 11.983 -5.479 5.596 540 2HG ARG 66 HGR ARG 66 12.707 -7.104 5.437 541 1HD ARG 66 HDS ARG 66 12.645 -6.755 2.949 542 2HD ARG 66 HDR ARG 66 12.214 -5.054 3.284 543 HE ARG 66 HE ARG 66 14.457 -4.706 3.595 544 1HH1 ARG 66 HH1 ARG 66 13.804 -8.092 4.333 545 2HH1 ARG 66 HH1 ARG 66 15.407 -8.385 4.920 546 1HH2 ARG 66 HH2 ARG 66 16.502 -5.094 4.494 547 2HH2 ARG 66 HH2 ARG 66 16.933 -6.690 5.010 548 H PHE 67 HN PHE 67 7.951 -5.253 5.052 549 HA PHE 67 HA PHE 67 9.123 -2.733 5.716 550 1HB PHE 67 HBR PHE 67 6.363 -3.604 4.869 551 2HB PHE 67 HBS PHE 67 6.590 -1.985 5.590 552 HD1 PHE 67 HD1 PHE 67 8.822 -3.957 3.430 553 HD2 PHE 67 HD2 PHE 67 6.349 -0.500 3.696 554 HE1 PHE 67 HE1 PHE 67 9.351 -3.425 1.092 555 HE2 PHE 67 HE2 PHE 67 6.920 0.096 1.364 556 HZ PHE 67 HZ PHE 67 8.501 -1.334 0.099 557 H LYS 68 HN LYS 68 6.868 -4.910 7.367 558 HA LYS 68 HA LYS 68 5.854 -3.174 9.235 559 1HB LYS 68 HBS LYS 68 5.044 -5.475 8.864 560 2HB LYS 68 HBR LYS 68 6.486 -6.106 9.711 561 1HG LYS 68 HGR LYS 68 4.513 -6.095 11.179 562 2HG LYS 68 HGS LYS 68 5.775 -4.981 11.777 563 1HD LYS 68 HDS LYS 68 4.351 -3.274 10.272 564 2HD LYS 68 HDR LYS 68 3.092 -4.414 10.663 565 1HE LYS 68 HES LYS 68 3.006 -2.715 12.302 566 2HE LYS 68 HER LYS 68 3.675 -4.184 13.068 567 1HZ LYS 68 HZB LYS 68 5.379 -2.057 11.990 568 2HZ LYS 68 HZC LYS 68 4.848 -2.052 13.535 569 3HZ LYS 68 HZA LYS 68 5.799 -3.268 13.003 570 H LYS 69 HN LYS 69 9.055 -4.396 9.072 571 HA LYS 69 HA LYS 69 9.784 -2.458 11.085 572 1HB LYS 69 HBR LYS 69 9.341 -4.615 12.404 573 2HB LYS 69 HBS LYS 69 10.795 -5.261 11.590 574 1HG LYS 69 HGR LYS 69 11.953 -3.098 12.485 575 2HG LYS 69 HGS LYS 69 10.565 -3.025 13.608 576 1HD LYS 69 HDS LYS 69 11.092 -5.374 14.288 577 2HD LYS 69 HDR LYS 69 12.530 -5.283 13.309 578 1HE LYS 69 HES LYS 69 12.284 -3.037 15.162 579 2HE LYS 69 HER LYS 69 12.370 -4.639 15.947 580 1HZ LYS 69 HZC LYS 69 14.280 -4.871 14.175 581 2HZ LYS 69 HZA LYS 69 14.358 -3.253 14.385 582 3HZ LYS 69 HZB LYS 69 14.541 -4.252 15.663 583 1H MET 1 HN MET 1 -11.547 -5.941 -7.774 584 2H MET 1 HNB MET 1 -13.039 -5.417 -7.363 585 3H MET 1 HNC MET 1 -11.857 -4.339 -7.692 586 HA MET 1 HA MET 1 -11.669 -4.189 -5.525 587 1HB MET 1 HBS MET 1 -12.398 -5.938 -3.980 588 2HB MET 1 HBR MET 1 -13.671 -5.547 -5.172 589 1HG MET 1 HGS MET 1 -13.014 -7.544 -6.504 590 2HG MET 1 HGR MET 1 -11.767 -7.919 -5.289 591 1HE MET 1 HME MET 1 -12.077 -9.586 -3.991 592 2HE MET 1 HME MET 1 -12.669 -8.781 -2.515 593 3HE MET 1 HME MET 1 -13.514 -10.216 -3.148 594 H GLU 2 HN GLU 2 -9.715 -4.862 -7.435 595 HA GLU 2 HA GLU 2 -7.638 -5.505 -5.578 596 1HB GLU 2 HBR GLU 2 -8.632 -7.752 -6.451 597 2HB GLU 2 HBS GLU 2 -7.940 -7.325 -7.919 598 1HG GLU 2 HGS GLU 2 -5.834 -6.912 -6.176 599 2HG GLU 2 HGR GLU 2 -6.525 -8.454 -5.606 600 H LEU 3 HN LEU 3 -5.802 -4.530 -6.195 601 HA LEU 3 HA LEU 3 -6.001 -2.508 -8.179 602 1HB LEU 3 HBR LEU 3 -3.404 -3.480 -7.034 603 2HB LEU 3 HBS LEU 3 -3.943 -1.815 -7.393 604 HG LEU 3 HG LEU 3 -4.803 -3.550 -5.063 605 1HD1 LEU 3 HMD LEU 3 -3.082 -1.070 -5.332 606 2HD1 LEU 3 HMD LEU 3 -3.768 -1.629 -3.786 607 3HD1 LEU 3 HMD LEU 3 -2.622 -2.663 -4.678 608 1HD2 LEU 3 HMD LEU 3 -5.641 -0.785 -5.988 609 2HD2 LEU 3 HMD LEU 3 -6.665 -2.236 -5.833 610 3HD2 LEU 3 HMD LEU 3 -5.997 -1.456 -4.376 611 HA PRO 4 HA PRO 4 -5.323 -5.329 -11.577 612 1HB PRO 4 HBR PRO 4 -5.491 -3.107 -13.246 613 2HB PRO 4 HBS PRO 4 -6.515 -4.388 -13.163 614 1HG PRO 4 HGS PRO 4 -7.089 -1.928 -12.353 615 2HG PRO 4 HGR PRO 4 -7.949 -3.295 -11.929 616 1HD PRO 4 HDS PRO 4 -6.145 -1.805 -10.367 617 2HD PRO 4 HDR PRO 4 -7.317 -2.857 -9.863 618 H ILE 5 HN ILE 5 -3.811 -5.735 -13.232 619 HA ILE 5 HA ILE 5 -1.226 -4.951 -12.118 620 HB ILE 5 HB ILE 5 -0.364 -6.859 -13.449 621 1HG1 ILE 5 HG1 ILE 5 -2.877 -8.008 -14.325 622 2HG1 ILE 5 HG1 ILE 5 -2.678 -6.369 -15.005 623 1HG2 ILE 5 HMG ILE 5 -1.790 -7.052 -11.194 624 2HG2 ILE 5 HMG ILE 5 -2.797 -8.071 -12.257 625 3HG2 ILE 5 HMG ILE 5 -1.072 -8.460 -12.022 626 1HD1 ILE 5 HMD ILE 5 -0.229 -7.932 -15.207 627 2HD1 ILE 5 HMD ILE 5 -1.608 -8.735 -16.005 628 3HD1 ILE 5 HMD ILE 5 -1.153 -7.075 -16.470 629 H ALA 6 HN ALA 6 -2.923 -3.220 -13.989 630 HA ALA 6 HA ALA 6 -1.013 -2.694 -16.158 631 1HB ALA 6 HMB ALA 6 -3.649 -1.631 -15.264 632 2HB ALA 6 HMB ALA 6 -2.561 -0.520 -16.132 633 3HB ALA 6 HMB ALA 6 -3.066 -2.048 -16.895 634 HA PRO 7 HA PRO 7 -0.187 1.001 -13.132 635 1HB PRO 7 HBR PRO 7 -1.189 0.618 -10.661 636 2HB PRO 7 HBS PRO 7 -1.764 1.690 -11.764 637 1HG PRO 7 HGS PRO 7 -2.863 -0.751 -10.987 638 2HG PRO 7 HGR PRO 7 -3.618 0.536 -11.734 639 1HD PRO 7 HDS PRO 7 -2.941 -1.753 -12.946 640 2HD PRO 7 HDR PRO 7 -3.317 -0.344 -13.725 641 H ILE 8 HN ILE 8 -0.555 -1.738 -11.010 642 HA ILE 8 HA ILE 8 1.858 -1.277 -9.665 643 HB ILE 8 HB ILE 8 0.239 -3.848 -9.991 644 1HG1 ILE 8 HG1 ILE 8 0.231 -1.702 -7.834 645 2HG1 ILE 8 HG1 ILE 8 -1.010 -1.940 -9.096 646 1HG2 ILE 8 HMG ILE 8 2.452 -3.190 -8.042 647 2HG2 ILE 8 HMG ILE 8 1.290 -4.525 -7.821 648 3HG2 ILE 8 HMG ILE 8 2.387 -4.521 -9.227 649 1HD1 ILE 8 HMD ILE 8 -0.359 -4.173 -7.193 650 2HD1 ILE 8 HMD ILE 8 -1.414 -2.830 -6.677 651 3HD1 ILE 8 HMD ILE 8 -1.869 -3.832 -8.082 652 H GLY 9 HN GLY 9 1.305 -2.602 -12.774 653 1HA GLY 9 HAR GLY 9 3.421 -4.335 -13.137 654 2HA GLY 9 HAS GLY 9 2.764 -3.289 -14.424 655 H ARG 10 HN ARG 10 3.429 -0.777 -13.524 656 HA ARG 10 HA ARG 10 6.373 -0.841 -13.957 657 1HB ARG 10 HBR ARG 10 4.475 1.499 -14.293 658 2HB ARG 10 HBS ARG 10 6.200 1.410 -14.754 659 1HG ARG 10 HGS ARG 10 5.109 1.153 -16.788 660 2HG ARG 10 HGR ARG 10 5.435 -0.535 -16.302 661 1HD ARG 10 HDS ARG 10 3.193 -0.337 -17.137 662 2HD ARG 10 HDR ARG 10 3.167 -0.686 -15.385 663 HE ARG 10 HE ARG 10 2.906 1.925 -15.258 664 1HH1 ARG 10 HH1 ARG 10 1.297 -0.374 -17.392 665 2HH1 ARG 10 HH1 ARG 10 -0.020 0.697 -17.731 666 1HH2 ARG 10 HH2 ARG 10 1.232 3.344 -15.825 667 2HH2 ARG 10 HH2 ARG 10 -0.059 2.801 -16.844 668 H ILE 11 HN ILE 11 4.634 -1.114 -11.414 669 HA ILE 11 HA ILE 11 6.131 0.901 -9.816 670 HB ILE 11 HB ILE 11 3.867 -1.001 -9.048 671 1HG1 ILE 11 HG1 ILE 11 4.056 2.009 -9.386 672 2HG1 ILE 11 HG1 ILE 11 3.034 0.855 -10.286 673 1HG2 ILE 11 HMG ILE 11 5.515 -0.791 -7.223 674 2HG2 ILE 11 HMG ILE 11 5.285 0.977 -7.251 675 3HG2 ILE 11 HMG ILE 11 3.926 -0.091 -6.817 676 1HD1 ILE 11 HMD ILE 11 1.716 0.445 -8.254 677 2HD1 ILE 11 HMD ILE 11 2.732 1.609 -7.363 678 3HD1 ILE 11 HMD ILE 11 1.710 2.169 -8.714 679 H ILE 12 HN ILE 12 5.583 -2.540 -10.456 680 HA ILE 12 HA ILE 12 8.040 -3.180 -8.899 681 HB ILE 12 HB ILE 12 6.131 -5.273 -10.012 682 1HG1 ILE 12 HG1 ILE 12 4.628 -4.040 -8.705 683 2HG1 ILE 12 HG1 ILE 12 5.152 -5.391 -7.662 684 1HG2 ILE 12 HMG ILE 12 8.517 -5.255 -8.320 685 2HG2 ILE 12 HMG ILE 12 7.173 -6.235 -7.673 686 3HG2 ILE 12 HMG ILE 12 7.799 -6.553 -9.313 687 1HD1 ILE 12 HMD ILE 12 6.623 -2.801 -7.429 688 2HD1 ILE 12 HMD ILE 12 4.966 -2.895 -6.772 689 3HD1 ILE 12 HMD ILE 12 6.222 -4.020 -6.188 690 H LYS 13 HN LYS 13 8.267 -1.701 -11.170 691 HA LYS 13 HA LYS 13 9.995 -3.553 -12.654 692 1HB LYS 13 HBR LYS 13 7.707 -2.048 -13.897 693 2HB LYS 13 HBS LYS 13 9.231 -2.252 -14.805 694 1HG LYS 13 HGR LYS 13 9.025 -4.728 -14.489 695 2HG LYS 13 HGS LYS 13 7.434 -4.457 -13.722 696 1HD LYS 13 HDS LYS 13 6.604 -4.751 -15.749 697 2HD LYS 13 HDR LYS 13 7.061 -3.084 -15.973 698 1HE LYS 13 HES LYS 13 8.907 -3.575 -17.259 699 2HE LYS 13 HER LYS 13 9.039 -5.227 -16.592 700 1HZ LYS 13 HZC LYS 13 6.675 -5.317 -17.754 701 2HZ LYS 13 HZA LYS 13 7.411 -4.251 -18.748 702 3HZ LYS 13 HZB LYS 13 8.061 -5.731 -18.513 703 H ASP 14 HN ASP 14 8.765 -0.239 -12.192 704 HA ASP 14 HA ASP 14 10.972 1.193 -12.839 705 1HB ASP 14 HBS ASP 14 8.802 2.098 -12.096 706 2HB ASP 14 HBR ASP 14 9.272 1.723 -10.411 707 H ALA 15 HN ALA 15 10.462 -0.645 -9.873 708 HA ALA 15 HA ALA 15 12.834 -0.259 -8.537 709 1HB ALA 15 HMB ALA 15 10.757 -2.165 -8.570 710 2HB ALA 15 HMB ALA 15 12.284 -3.079 -8.682 711 3HB ALA 15 HMB ALA 15 12.023 -1.940 -7.336 712 H GLY 16 HN GLY 16 12.275 -2.358 -11.355 713 1HA GLY 16 HAR GLY 16 14.241 -2.897 -12.818 714 2HA GLY 16 HAS GLY 16 15.166 -3.136 -11.312 715 H ALA 17 HN ALA 17 11.788 -4.068 -11.612 716 HA ALA 17 HA ALA 17 12.437 -6.815 -10.788 717 1HB ALA 17 HMB ALA 17 10.232 -5.063 -10.525 718 2HB ALA 17 HMB ALA 17 9.700 -6.417 -11.554 719 3HB ALA 17 HMB ALA 17 10.391 -6.739 -9.942 720 H GLU 18 HN GLU 18 12.724 -8.426 -12.134 721 HA GLU 18 HA GLU 18 13.098 -7.740 -14.905 722 1HB GLU 18 HBR GLU 18 14.475 -9.202 -13.313 723 2HB GLU 18 HBS GLU 18 13.267 -10.356 -13.471 724 1HG GLU 18 HGS GLU 18 15.274 -10.716 -14.954 725 2HG GLU 18 HGR GLU 18 13.689 -10.878 -15.759 726 H ARG 19 HN ARG 19 11.435 -10.598 -13.515 727 HA ARG 19 HA ARG 19 9.585 -10.521 -15.854 728 1HB ARG 19 HBR ARG 19 10.735 -12.931 -14.413 729 2HB ARG 19 HBS ARG 19 9.355 -12.990 -15.547 730 1HG ARG 19 HGS ARG 19 11.646 -11.626 -16.713 731 2HG ARG 19 HGR ARG 19 12.067 -13.273 -16.166 732 1HD ARG 19 HDS ARG 19 11.209 -13.970 -18.079 733 2HD ARG 19 HDR ARG 19 9.614 -13.612 -17.360 734 HE ARG 19 HE ARG 19 9.481 -11.662 -18.661 735 1HH1 ARG 19 HH1 ARG 19 12.438 -13.474 -19.297 736 2HH1 ARG 19 HH1 ARG 19 12.893 -12.472 -20.634 737 1HH2 ARG 19 HH2 ARG 19 10.176 -10.296 -20.330 738 2HH2 ARG 19 HH2 ARG 19 11.614 -10.674 -21.220 739 H VAL 20 HN VAL 20 9.978 -11.831 -12.537 740 HA VAL 20 HA VAL 20 8.560 -11.921 -10.756 741 HB VAL 20 HB VAL 20 6.772 -9.945 -12.174 742 1HG1 VAL 20 HMG VAL 20 6.634 -11.231 -9.636 743 2HG1 VAL 20 HMG VAL 20 6.959 -9.502 -9.366 744 3HG1 VAL 20 HMG VAL 20 5.549 -10.002 -10.330 745 1HG2 VAL 20 HMG VAL 20 9.181 -9.199 -12.092 746 2HG2 VAL 20 HMG VAL 20 8.000 -8.128 -11.301 747 3HG2 VAL 20 HMG VAL 20 9.032 -9.196 -10.318 748 H SER 21 HN SER 21 7.033 -13.338 -10.187 749 HA SER 21 HA SER 21 6.038 -15.099 -12.288 750 1HB SER 21 HBS SER 21 6.760 -16.141 -10.278 751 2HB SER 21 HBR SER 21 5.713 -15.095 -9.276 752 HG SER 21 HG SER 21 4.899 -16.946 -11.372 753 H ASP 22 HN ASP 22 3.686 -15.784 -12.106 754 HA ASP 22 HA ASP 22 2.028 -13.378 -12.195 755 1HB ASP 22 HBS ASP 22 0.383 -14.713 -13.307 756 2HB ASP 22 HBR ASP 22 1.987 -14.920 -14.068 757 H ASP 23 HN ASP 23 3.046 -14.714 -9.673 758 HA ASP 23 HA ASP 23 0.397 -14.725 -8.339 759 1HB ASP 23 HBS ASP 23 2.319 -16.633 -8.087 760 2HB ASP 23 HBR ASP 23 2.669 -15.563 -6.698 761 H ALA 24 HN ALA 24 3.733 -13.496 -8.157 762 HA ALA 24 HA ALA 24 3.416 -11.931 -5.908 763 1HB ALA 24 HMB ALA 24 5.335 -12.202 -8.062 764 2HB ALA 24 HMB ALA 24 5.215 -10.514 -7.506 765 3HB ALA 24 HMB ALA 24 5.585 -11.812 -6.342 766 H ARG 25 HN ARG 25 2.939 -10.971 -9.315 767 HA ARG 25 HA ARG 25 2.559 -8.227 -8.791 768 1HB ARG 25 HBR ARG 25 1.882 -10.029 -11.106 769 2HB ARG 25 HBS ARG 25 1.322 -8.332 -11.077 770 1HG ARG 25 HGS ARG 25 3.408 -7.491 -11.420 771 2HG ARG 25 HGR ARG 25 4.211 -8.814 -10.528 772 1HD ARG 25 HDS ARG 25 3.998 -10.293 -12.353 773 2HD ARG 25 HDR ARG 25 2.896 -9.181 -13.213 774 HE ARG 25 HE ARG 25 5.610 -8.197 -12.647 775 1HH1 ARG 25 HH1 ARG 25 3.204 -9.288 -14.983 776 2HH1 ARG 25 HH1 ARG 25 4.203 -8.918 -16.349 777 1HH2 ARG 25 HH2 ARG 25 6.936 -7.847 -14.452 778 2HH2 ARG 25 HH2 ARG 25 6.315 -8.102 -16.049 779 H ILE 26 HN ILE 26 0.398 -10.952 -8.597 780 HA ILE 26 HA ILE 26 -2.001 -9.283 -8.293 781 HB ILE 26 HB ILE 26 -1.533 -12.280 -7.894 782 1HG1 ILE 26 HG1 ILE 26 -1.199 -11.400 -10.204 783 2HG1 ILE 26 HG1 ILE 26 -2.515 -12.600 -10.059 784 1HG2 ILE 26 HMG ILE 26 -3.813 -10.595 -7.243 785 2HG2 ILE 26 HMG ILE 26 -4.234 -11.900 -8.384 786 3HG2 ILE 26 HMG ILE 26 -3.475 -12.294 -6.819 787 1HD1 ILE 26 HMD ILE 26 -3.620 -9.980 -9.721 788 2HD1 ILE 26 HMD ILE 26 -2.607 -9.997 -11.191 789 3HD1 ILE 26 HMD ILE 26 -3.932 -11.179 -11.005 790 H THR 27 HN THR 27 0.484 -10.846 -6.374 791 HA THR 27 HA THR 27 -0.998 -10.988 -3.945 792 HB THR 27 HB THR 27 2.025 -11.097 -4.470 793 HG1 THR 27 HG1 THR 27 1.757 -13.070 -4.279 794 1HG2 THR 27 HMG THR 27 0.770 -10.781 -1.970 795 2HG2 THR 27 HMG THR 27 1.211 -12.504 -2.092 796 3HG2 THR 27 HMG THR 27 2.459 -11.249 -2.299 797 H LEU 28 HN LEU 28 1.576 -8.750 -5.034 798 HA LEU 28 HA LEU 28 1.382 -6.861 -2.983 799 1HB LEU 28 HBR LEU 28 2.829 -7.239 -5.240 800 2HB LEU 28 HBS LEU 28 1.770 -5.904 -5.767 801 HG LEU 28 HG LEU 28 2.692 -4.393 -4.260 802 1HD1 LEU 28 HMD LEU 28 2.655 -5.824 -2.248 803 2HD1 LEU 28 HMD LEU 28 4.080 -6.702 -2.859 804 3HD1 LEU 28 HMD LEU 28 4.209 -4.974 -2.447 805 1HD2 LEU 28 HMD LEU 28 4.151 -5.450 -6.166 806 2HD2 LEU 28 HMD LEU 28 4.868 -4.305 -5.004 807 3HD2 LEU 28 HMD LEU 28 5.129 -6.057 -4.804 808 H ALA 29 HN ALA 29 -0.333 -6.879 -6.127 809 HA ALA 29 HA ALA 29 -2.077 -4.829 -5.679 810 1HB ALA 29 HMB ALA 29 -2.342 -7.399 -7.215 811 2HB ALA 29 HMB ALA 29 -3.688 -6.233 -7.147 812 3HB ALA 29 HMB ALA 29 -2.108 -5.733 -7.804 813 H LYS 30 HN LYS 30 -1.999 -7.814 -4.001 814 HA LYS 30 HA LYS 30 -4.728 -7.434 -2.967 815 1HB LYS 30 HBR LYS 30 -2.764 -9.677 -3.126 816 2HB LYS 30 HBS LYS 30 -3.914 -9.672 -1.758 817 1HG LYS 30 HGR LYS 30 -5.795 -9.533 -3.368 818 2HG LYS 30 HGS LYS 30 -4.625 -9.603 -4.717 819 1HD LYS 30 HDS LYS 30 -5.580 -11.766 -4.408 820 2HD LYS 30 HDR LYS 30 -3.880 -11.775 -4.027 821 1HE LYS 30 HES LYS 30 -4.486 -11.555 -1.596 822 2HE LYS 30 HER LYS 30 -6.178 -11.833 -2.097 823 1HZ LYS 30 HZB LYS 30 -4.015 -13.682 -2.797 824 2HZ LYS 30 HZC LYS 30 -4.861 -13.824 -1.407 825 3HZ LYS 30 HZA LYS 30 -5.627 -13.947 -2.846 826 H ILE 31 HN ILE 31 -1.374 -7.218 -1.968 827 HA ILE 31 HA ILE 31 -1.880 -6.798 0.862 828 HB ILE 31 HB ILE 31 0.425 -6.207 -1.039 829 1HG1 ILE 31 HG1 ILE 31 1.312 -7.739 1.100 830 2HG1 ILE 31 HG1 ILE 31 -0.361 -8.312 0.842 831 1HG2 ILE 31 HMG ILE 31 0.050 -4.483 0.961 832 2HG2 ILE 31 HMG ILE 31 0.868 -5.783 1.868 833 3HG2 ILE 31 HMG ILE 31 1.664 -5.046 0.452 834 1HD1 ILE 31 HMD ILE 31 1.251 -8.021 -1.616 835 2HD1 ILE 31 HMD ILE 31 1.827 -9.265 -0.474 836 3HD1 ILE 31 HMD ILE 31 0.158 -9.332 -1.098 837 H LEU 32 HN LEU 32 -0.759 -4.441 -1.583 838 HA LEU 32 HA LEU 32 -1.179 -2.321 0.036 839 1HB LEU 32 HBR LEU 32 -1.004 -2.613 -2.955 840 2HB LEU 32 HBS LEU 32 -1.156 -1.002 -2.199 841 HG LEU 32 HG LEU 32 0.930 -2.141 -0.804 842 1HD1 LEU 32 HMD LEU 32 0.659 -3.813 -2.955 843 2HD1 LEU 32 HMD LEU 32 1.804 -2.601 -3.583 844 3HD1 LEU 32 HMD LEU 32 2.185 -3.497 -2.090 845 1HD2 LEU 32 HMD LEU 32 0.503 -0.171 -2.980 846 2HD2 LEU 32 HMD LEU 32 1.281 0.018 -1.389 847 3HD2 LEU 32 HMD LEU 32 2.183 -0.715 -2.739 848 H GLU 33 HN GLU 33 -3.623 -3.997 -1.686 849 HA GLU 33 HA GLU 33 -5.527 -1.818 -1.628 850 1HB GLU 33 HBR GLU 33 -5.338 -3.596 -3.345 851 2HB GLU 33 HBS GLU 33 -5.665 -4.752 -2.173 852 1HG GLU 33 HGS GLU 33 -7.744 -2.720 -2.220 853 2HG GLU 33 HGR GLU 33 -7.668 -3.619 -3.761 854 H GLU 34 HN GLU 34 -5.264 -4.983 0.043 855 HA GLU 34 HA GLU 34 -7.392 -4.506 1.950 856 1HB GLU 34 HBR GLU 34 -5.005 -6.327 1.713 857 2HB GLU 34 HBS GLU 34 -5.824 -6.180 3.171 858 1HG GLU 34 HGS GLU 34 -7.891 -6.498 1.323 859 2HG GLU 34 HGR GLU 34 -6.703 -7.753 0.875 860 H MET 35 HN MET 35 -3.979 -3.699 1.644 861 HA MET 35 HA MET 35 -3.617 -2.568 4.263 862 1HB MET 35 HBS MET 35 -2.157 -2.671 1.722 863 2HB MET 35 HBR MET 35 -1.986 -1.117 2.587 864 1HG MET 35 HGS MET 35 -1.456 -2.488 4.683 865 2HG MET 35 HGR MET 35 -1.365 -3.909 3.612 866 1HE MET 35 HME MET 35 0.575 -4.672 3.502 867 2HE MET 35 HME MET 35 1.993 -4.030 2.635 868 3HE MET 35 HME MET 35 1.836 -3.782 4.392 869 H GLY 36 HN GLY 36 -4.559 -1.224 1.087 870 1HA GLY 36 HAR GLY 36 -4.939 1.419 1.959 871 2HA GLY 36 HAS GLY 36 -5.679 0.697 0.504 872 H ARG 37 HN ARG 37 -7.114 -1.374 1.941 873 HA ARG 37 HA ARG 37 -9.441 0.037 2.971 874 1HB ARG 37 HBR ARG 37 -8.614 -2.878 2.919 875 2HB ARG 37 HBS ARG 37 -10.106 -2.291 3.711 876 1HG ARG 37 HGS ARG 37 -10.033 -1.226 1.062 877 2HG ARG 37 HGR ARG 37 -9.672 -2.973 0.968 878 1HD ARG 37 HDS ARG 37 -12.094 -2.327 0.824 879 2HD ARG 37 HDR ARG 37 -11.671 -3.546 2.057 880 HE ARG 37 HE ARG 37 -12.362 -0.705 2.589 881 1HH1 ARG 37 HH1 ARG 37 -11.571 -3.912 3.824 882 2HH1 ARG 37 HH1 ARG 37 -12.340 -3.632 5.351 883 1HH2 ARG 37 HH2 ARG 37 -13.466 -0.423 4.549 884 2HH2 ARG 37 HH2 ARG 37 -13.409 -1.657 5.762 885 H ASP 38 HN ASP 38 -6.502 -1.437 4.211 886 HA ASP 38 HA ASP 38 -7.460 -1.720 6.893 887 1HB ASP 38 HBS ASP 38 -4.915 -2.210 5.472 888 2HB ASP 38 HBR ASP 38 -4.823 -1.920 7.234 889 H ILE 39 HN ILE 39 -5.282 0.620 5.317 890 HA ILE 39 HA ILE 39 -4.595 2.005 7.733 891 HB ILE 39 HB ILE 39 -4.505 2.981 4.835 892 1HG1 ILE 39 HG1 ILE 39 -2.290 1.671 6.453 893 2HG1 ILE 39 HG1 ILE 39 -3.339 0.800 5.299 894 1HG2 ILE 39 HMG ILE 39 -3.819 4.259 7.331 895 2HG2 ILE 39 HMG ILE 39 -2.381 4.075 6.292 896 3HG2 ILE 39 HMG ILE 39 -3.826 4.917 5.674 897 1HD1 ILE 39 HMD ILE 39 -1.567 3.148 4.570 898 2HD1 ILE 39 HMD ILE 39 -1.112 1.433 4.379 899 3HD1 ILE 39 HMD ILE 39 -2.490 2.098 3.460 900 H ALA 40 HN ALA 40 -7.250 2.179 5.456 901 HA ALA 40 HA ALA 40 -8.010 4.907 5.897 902 1HB ALA 40 HMB ALA 40 -9.007 2.571 4.460 903 2HB ALA 40 HMB ALA 40 -10.312 3.537 5.195 904 3HB ALA 40 HMB ALA 40 -9.151 4.307 4.085 905 H SER 41 HN SER 41 -9.641 1.891 6.954 906 HA SER 41 HA SER 41 -11.123 3.079 9.002 907 1HB SER 41 HBS SER 41 -11.675 0.929 9.735 908 2HB SER 41 HBR SER 41 -11.438 0.788 7.969 909 HG SER 41 HG SER 41 -9.168 0.223 8.467 910 H GLU 42 HN GLU 42 -7.773 2.439 8.862 911 HA GLU 42 HA GLU 42 -7.396 2.315 11.772 912 1HB GLU 42 HBR GLU 42 -5.750 2.176 9.284 913 2HB GLU 42 HBS GLU 42 -5.005 2.764 10.667 914 1HG GLU 42 HGS GLU 42 -4.703 0.306 10.334 915 2HG GLU 42 HGR GLU 42 -5.254 0.763 11.968 916 H ALA 43 HN ALA 43 -6.918 4.601 9.079 917 HA ALA 43 HA ALA 43 -6.208 6.816 10.795 918 1HB ALA 43 HMB ALA 43 -5.903 6.389 8.193 919 2HB ALA 43 HMB ALA 43 -7.464 7.244 8.125 920 3HB ALA 43 HMB ALA 43 -6.052 8.026 8.881 921 H ILE 44 HN ILE 44 -9.125 5.190 9.992 922 HA ILE 44 HA ILE 44 -10.800 7.465 10.360 923 HB ILE 44 HB ILE 44 -11.004 5.047 9.098 924 1HG1 ILE 44 HG1 ILE 44 -13.638 6.249 9.561 925 2HG1 ILE 44 HG1 ILE 44 -12.352 7.455 9.263 926 1HG2 ILE 44 HMG ILE 44 -12.917 4.791 11.430 927 2HG2 ILE 44 HMG ILE 44 -12.967 3.852 9.916 928 3HG2 ILE 44 HMG ILE 44 -11.569 3.703 11.011 929 1HD1 ILE 44 HMD ILE 44 -11.762 5.739 7.301 930 2HD1 ILE 44 HMD ILE 44 -13.503 5.383 7.455 931 3HD1 ILE 44 HMD ILE 44 -12.961 7.045 7.103 932 H LYS 45 HN LYS 45 -10.589 4.455 12.320 933 HA LYS 45 HA LYS 45 -11.798 5.516 14.660 934 1HB LYS 45 HBR LYS 45 -10.021 3.205 14.020 935 2HB LYS 45 HBS LYS 45 -10.110 3.738 15.724 936 1HG LYS 45 HGR LYS 45 -11.728 1.972 15.364 937 2HG LYS 45 HGS LYS 45 -12.598 3.514 15.610 938 1HD LYS 45 HDS LYS 45 -13.079 3.738 13.311 939 2HD LYS 45 HDR LYS 45 -11.956 2.480 12.875 940 1HE LYS 45 HES LYS 45 -14.423 1.970 14.528 941 2HE LYS 45 HER LYS 45 -14.347 1.834 12.748 942 1HZ LYS 45 HZC LYS 45 -12.479 0.383 14.467 943 2HZ LYS 45 HZA LYS 45 -13.949 -0.232 14.110 944 3HZ LYS 45 HZB LYS 45 -12.881 0.080 12.914 945 H LEU 46 HN LEU 46 -8.763 6.128 13.171 946 HA LEU 46 HA LEU 46 -7.308 7.142 15.451 947 1HB LEU 46 HBR LEU 46 -7.045 6.886 12.596 948 2HB LEU 46 HBS LEU 46 -6.665 8.561 13.088 949 HG LEU 46 HG LEU 46 -5.378 6.180 14.419 950 1HD1 LEU 46 HMD LEU 46 -4.743 7.504 11.795 951 2HD1 LEU 46 HMD LEU 46 -3.424 6.909 12.835 952 3HD1 LEU 46 HMD LEU 46 -4.673 5.783 12.247 953 1HD2 LEU 46 HMD LEU 46 -5.457 8.822 15.045 954 2HD2 LEU 46 HMD LEU 46 -4.094 7.742 15.433 955 3HD2 LEU 46 HMD LEU 46 -4.025 8.780 13.986 956 H ALA 47 HN ALA 47 -9.854 8.310 13.322 957 HA ALA 47 HA ALA 47 -9.789 11.016 14.172 958 1HB ALA 47 HMB ALA 47 -10.903 9.993 12.125 959 2HB ALA 47 HMB ALA 47 -12.245 9.548 13.211 960 3HB ALA 47 HMB ALA 47 -11.803 11.261 12.997 961 H ARG 48 HN ARG 48 -11.828 8.259 15.193 962 HA ARG 48 HA ARG 48 -13.104 9.765 17.269 963 1HB ARG 48 HBR ARG 48 -14.131 7.685 17.921 964 2HB ARG 48 HBS ARG 48 -14.166 7.852 16.142 965 1HG ARG 48 HGS ARG 48 -13.605 5.627 16.400 966 2HG ARG 48 HGR ARG 48 -11.998 6.390 16.237 967 1HD ARG 48 HDS ARG 48 -11.445 6.013 18.387 968 2HD ARG 48 HDR ARG 48 -13.126 6.181 18.967 969 HE ARG 48 HE ARG 48 -11.785 3.744 18.269 970 1HH1 ARG 48 HH1 ARG 48 -14.915 5.303 17.823 971 2HH1 ARG 48 HH1 ARG 48 -15.797 3.819 17.971 972 1HH2 ARG 48 HH2 ARG 48 -12.980 1.845 18.586 973 2HH2 ARG 48 HH2 ARG 48 -14.702 1.862 18.401 974 H HIS 49 HN HIS 49 -10.299 7.648 17.109 975 HA HIS 49 HA HIS 49 -9.753 7.480 19.923 976 1HB HIS 49 HBS HIS 49 -8.571 6.111 18.139 977 2HB HIS 49 HBR HIS 49 -7.670 7.593 17.707 978 HD1 HIS 49 HD1 HIS 49 -7.311 4.665 19.789 979 HD2 HIS 49 HD2 HIS 49 -6.336 8.699 20.148 980 HE1 HIS 49 HE1 HIS 49 -5.454 4.797 21.467 981 HE2 HIS 49 HE2 HIS 49 -4.844 7.233 21.671 982 H ALA 50 HN ALA 50 -9.103 9.858 17.381 983 HA ALA 50 HA ALA 50 -7.759 11.808 19.014 984 1HB ALA 50 HMB ALA 50 -8.308 11.615 16.390 985 2HB ALA 50 HMB ALA 50 -9.641 12.686 16.895 986 3HB ALA 50 HMB ALA 50 -7.951 13.155 17.212 987 H GLY 51 HN GLY 51 -11.171 11.114 18.236 988 1HA GLY 51 HAR GLY 51 -12.805 11.609 20.054 989 2HA GLY 51 HAS GLY 51 -11.999 13.191 20.225 990 H ARG 52 HN ARG 52 -12.362 11.772 17.058 991 HA ARG 52 HA ARG 52 -13.809 12.068 15.311 992 1HB ARG 52 HBR ARG 52 -15.665 12.826 17.582 993 2HB ARG 52 HBS ARG 52 -16.167 12.794 15.866 994 1HG ARG 52 HGS ARG 52 -16.829 10.700 16.441 995 2HG ARG 52 HGR ARG 52 -15.128 10.327 16.039 996 1HD ARG 52 HDS ARG 52 -14.515 10.509 18.370 997 2HD ARG 52 HDR ARG 52 -16.190 10.959 18.795 998 HE ARG 52 HE ARG 52 -16.143 8.453 17.419 999 1HH1 ARG 52 HH1 ARG 52 -15.075 9.814 20.490 1000 2HH1 ARG 52 HH1 ARG 52 -15.457 8.381 21.383 1001 1HH2 ARG 52 HH2 ARG 52 -16.750 6.642 18.641 1002 2HH2 ARG 52 HH2 ARG 52 -16.402 6.584 20.337 1003 H LYS 53 HN LYS 53 -12.652 13.653 14.303 1004 HA LYS 53 HA LYS 53 -13.878 16.351 14.371 1005 1HB LYS 53 HBR LYS 53 -10.997 15.671 14.970 1006 2HB LYS 53 HBS LYS 53 -11.469 17.245 14.267 1007 1HG LYS 53 HGR LYS 53 -12.951 16.348 16.701 1008 2HG LYS 53 HGS LYS 53 -11.243 16.825 16.919 1009 1HD LYS 53 HDS LYS 53 -13.189 18.580 15.446 1010 2HD LYS 53 HDR LYS 53 -13.122 18.564 17.188 1011 1HE LYS 53 HES LYS 53 -10.788 19.201 17.182 1012 2HE LYS 53 HER LYS 53 -10.771 19.127 15.397 1013 1HZ LYS 53 HZB LYS 53 -12.841 20.781 16.356 1014 2HZ LYS 53 HZC LYS 53 -11.395 21.284 16.925 1015 3HZ LYS 53 HZA LYS 53 -11.632 21.133 15.316 1016 H THR 54 HN THR 54 -10.844 15.048 13.021 1017 HA THR 54 HA THR 54 -11.898 14.919 10.290 1018 HB THR 54 HB THR 54 -10.025 17.177 11.193 1019 HG1 THR 54 HG1 THR 54 -11.457 18.292 10.924 1020 1HG2 THR 54 HMG THR 54 -9.919 15.847 8.732 1021 2HG2 THR 54 HMG THR 54 -10.852 17.334 8.424 1022 3HG2 THR 54 HMG THR 54 -9.222 17.437 9.137 1023 H ILE 55 HN ILE 55 -10.492 13.972 8.851 1024 HA ILE 55 HA ILE 55 -8.028 12.769 9.993 1025 HB ILE 55 HB ILE 55 -9.411 12.184 7.329 1026 1HG1 ILE 55 HG1 ILE 55 -9.573 10.623 9.938 1027 2HG1 ILE 55 HG1 ILE 55 -10.843 11.706 9.301 1028 1HG2 ILE 55 HMG ILE 55 -6.987 11.628 7.460 1029 2HG2 ILE 55 HMG ILE 55 -7.364 10.520 8.806 1030 3HG2 ILE 55 HMG ILE 55 -8.052 10.223 7.188 1031 1HD1 ILE 55 HMD ILE 55 -10.898 10.217 7.246 1032 2HD1 ILE 55 HMD ILE 55 -9.883 9.072 8.165 1033 3HD1 ILE 55 HMD ILE 55 -11.510 9.500 8.762 1034 H LYS 56 HN LYS 56 -6.050 13.063 9.000 1035 HA LYS 56 HA LYS 56 -5.684 15.133 6.956 1036 1HB LYS 56 HBR LYS 56 -4.366 16.564 8.520 1037 2HB LYS 56 HBS LYS 56 -6.131 16.572 8.802 1038 1HG LYS 56 HGR LYS 56 -5.189 14.542 10.473 1039 2HG LYS 56 HGS LYS 56 -3.944 15.818 10.594 1040 1HD LYS 56 HDS LYS 56 -6.110 17.354 10.818 1041 2HD LYS 56 HDR LYS 56 -6.805 15.859 11.383 1042 1HE LYS 56 HES LYS 56 -4.435 15.929 12.767 1043 2HE LYS 56 HER LYS 56 -4.925 17.645 12.690 1044 1HZ LYS 56 HZA LYS 56 -7.067 15.891 13.318 1045 2HZ LYS 56 HZB LYS 56 -5.868 15.822 14.424 1046 3HZ LYS 56 HZC LYS 56 -6.577 17.251 14.078 1047 H ALA 57 HN ALA 57 -3.172 15.845 7.317 1048 HA ALA 57 HA ALA 57 -1.872 13.671 6.175 1049 1HB ALA 57 HMB ALA 57 -1.320 16.406 6.723 1050 2HB ALA 57 HMB ALA 57 0.091 15.446 7.237 1051 3HB ALA 57 HMB ALA 57 -0.521 15.309 5.568 1052 H GLU 58 HN GLU 58 -1.701 14.898 9.507 1053 HA GLU 58 HA GLU 58 0.107 12.741 10.301 1054 1HB GLU 58 HBR GLU 58 0.164 15.122 11.078 1055 2HB GLU 58 HBS GLU 58 -1.357 14.905 11.752 1056 1HG GLU 58 HGS GLU 58 0.260 12.797 12.760 1057 2HG GLU 58 HGR GLU 58 1.119 14.327 13.085 1058 H ASP 59 HN ASP 59 -2.818 12.360 9.375 1059 HA ASP 59 HA ASP 59 -3.341 10.390 11.531 1060 1HB ASP 59 HBS ASP 59 -5.147 12.256 10.333 1061 2HB ASP 59 HBR ASP 59 -5.665 10.584 9.972 1062 H ILE 60 HN ILE 60 -2.558 10.981 8.249 1063 HA ILE 60 HA ILE 60 -3.271 8.298 7.382 1064 HB ILE 60 HB ILE 60 -1.909 10.656 5.993 1065 1HG1 ILE 60 HG1 ILE 60 -4.162 11.168 6.525 1066 2HG1 ILE 60 HG1 ILE 60 -4.117 10.770 4.784 1067 1HG2 ILE 60 HMG ILE 60 -2.455 7.891 5.015 1068 2HG2 ILE 60 HMG ILE 60 -2.709 9.259 3.899 1069 3HG2 ILE 60 HMG ILE 60 -1.110 9.002 4.647 1070 1HD1 ILE 60 HMD ILE 60 -4.987 8.519 5.299 1071 2HD1 ILE 60 HMD ILE 60 -5.081 8.966 7.024 1072 3HD1 ILE 60 HMD ILE 60 -6.093 9.815 5.826 1073 H GLU 61 HN GLU 61 -0.197 10.151 7.386 1074 HA GLU 61 HA GLU 61 1.556 7.879 7.284 1075 1HB GLU 61 HBR GLU 61 1.830 10.688 8.374 1076 2HB GLU 61 HBS GLU 61 3.068 9.555 8.377 1077 1HG GLU 61 HGS GLU 61 2.886 9.231 5.923 1078 2HG GLU 61 HGR GLU 61 1.782 10.631 5.829 1079 H LEU 62 HN LEU 62 -0.516 9.189 9.703 1080 HA LEU 62 HA LEU 62 0.847 7.739 11.850 1081 1HB LEU 62 HBR LEU 62 -0.538 10.091 11.628 1082 2HB LEU 62 HBS LEU 62 -1.759 9.010 12.360 1083 HG LEU 62 HG LEU 62 0.117 8.465 14.071 1084 1HD1 LEU 62 HMD LEU 62 1.788 9.816 12.638 1085 2HD1 LEU 62 HMD LEU 62 0.997 11.254 13.330 1086 3HD1 LEU 62 HMD LEU 62 1.788 10.071 14.401 1087 1HD2 LEU 62 HMD LEU 62 -2.082 9.961 14.107 1088 2HD2 LEU 62 HMD LEU 62 -0.946 9.925 15.480 1089 3HD2 LEU 62 HMD LEU 62 -0.890 11.270 14.311 1090 H ALA 63 HN ALA 63 -1.578 7.120 9.532 1091 HA ALA 63 HA ALA 63 -2.378 4.675 11.043 1092 1HB ALA 63 HMB ALA 63 -4.225 6.124 10.130 1093 2HB ALA 63 HMB ALA 63 -3.626 5.734 8.497 1094 3HB ALA 63 HMB ALA 63 -4.218 4.435 9.564 1095 H VAL 64 HN VAL 64 0.120 5.607 9.424 1096 HA VAL 64 HA VAL 64 0.141 3.340 7.523 1097 HB VAL 64 HB VAL 64 1.173 6.139 7.040 1098 1HG1 VAL 64 HMG VAL 64 2.420 3.742 6.163 1099 2HG1 VAL 64 HMG VAL 64 1.621 4.483 4.756 1100 3HG1 VAL 64 HMG VAL 64 2.790 5.424 5.712 1101 1HG2 VAL 64 HMG VAL 64 -1.244 5.447 6.539 1102 2HG2 VAL 64 HMG VAL 64 -0.312 6.268 5.264 1103 3HG2 VAL 64 HMG VAL 64 -0.551 4.505 5.196 1104 H ARG 65 HN ARG 65 2.620 5.709 8.491 1105 HA ARG 65 HA ARG 65 4.618 3.681 8.883 1106 1HB ARG 65 HBR ARG 65 4.415 6.618 9.186 1107 2HB ARG 65 HBS ARG 65 5.549 5.807 10.305 1108 1HG ARG 65 HGS ARG 65 6.314 4.641 8.011 1109 2HG ARG 65 HGR ARG 65 5.693 6.180 7.351 1110 1HD ARG 65 HDS ARG 65 7.994 6.475 7.782 1111 2HD ARG 65 HDR ARG 65 7.097 7.361 9.046 1112 HE ARG 65 HE ARG 65 8.740 4.952 9.400 1113 1HH1 ARG 65 HH1 ARG 65 6.699 7.457 10.808 1114 2HH1 ARG 65 HH1 ARG 65 7.006 6.945 12.433 1115 1HH2 ARG 65 HH2 ARG 65 9.019 4.235 11.531 1116 2HH2 ARG 65 HH2 ARG 65 8.321 5.123 12.844 1117 H ARG 66 HN ARG 66 2.133 5.104 10.857 1118 HA ARG 66 HA ARG 66 2.974 3.597 13.253 1119 1HB ARG 66 HBR ARG 66 1.321 5.799 12.872 1120 2HB ARG 66 HBS ARG 66 0.180 4.445 13.117 1121 1HG ARG 66 HGS ARG 66 2.417 5.295 14.991 1122 2HG ARG 66 HGR ARG 66 0.665 5.559 15.230 1123 1HD ARG 66 HDS ARG 66 0.535 3.607 16.230 1124 2HD ARG 66 HDR ARG 66 1.019 2.815 14.704 1125 HE ARG 66 HE ARG 66 3.089 3.820 16.577 1126 1HH1 ARG 66 HH1 ARG 66 1.380 1.078 15.167 1127 2HH1 ARG 66 HH1 ARG 66 2.685 -0.024 15.457 1128 1HH2 ARG 66 HH2 ARG 66 4.822 2.379 16.825 1129 2HH2 ARG 66 HH2 ARG 66 4.633 0.712 16.396 1130 H PHE 67 HN PHE 67 0.593 3.527 10.606 1131 HA PHE 67 HA PHE 67 -0.971 2.015 9.952 1132 1HB PHE 67 HBR PHE 67 1.253 0.354 10.410 1133 2HB PHE 67 HBS PHE 67 -0.092 -0.412 11.306 1134 HD1 PHE 67 HD1 PHE 67 1.144 0.726 8.090 1135 HD2 PHE 67 HD2 PHE 67 -2.101 -1.232 10.036 1136 HE1 PHE 67 HE1 PHE 67 0.172 0.206 5.899 1137 HE2 PHE 67 HE2 PHE 67 -3.106 -1.762 7.839 1138 HZ PHE 67 HZ PHE 67 -1.908 -1.114 5.768 1139 H LYS 68 HN LYS 68 -1.204 3.550 12.336 1140 HA LYS 68 HA LYS 68 -2.554 3.791 14.171 1141 1HB LYS 68 HBR LYS 68 -4.247 3.012 12.552 1142 2HB LYS 68 HBS LYS 68 -3.927 1.326 13.050 1143 1HG LYS 68 HGR LYS 68 -5.959 2.237 14.116 1144 2HG LYS 68 HGS LYS 68 -4.702 1.820 15.316 1145 1HD LYS 68 HDS LYS 68 -4.103 4.418 14.841 1146 2HD LYS 68 HDR LYS 68 -5.820 4.438 14.547 1147 1HE LYS 68 HES LYS 68 -6.379 4.051 16.698 1148 2HE LYS 68 HER LYS 68 -4.944 3.028 16.986 1149 1HZ LYS 68 HZC LYS 68 -3.772 5.312 16.664 1150 2HZ LYS 68 HZA LYS 68 -5.211 5.906 17.159 1151 3HZ LYS 68 HZB LYS 68 -4.380 4.875 18.116 1152 H LYS 69 HN LYS 69 -3.031 3.018 16.255 1153 HA LYS 69 HA LYS 69 -2.978 0.364 17.055 1154 1HB LYS 69 HBR LYS 69 -0.958 0.131 18.363 1155 2HB LYS 69 HBS LYS 69 -0.557 0.389 16.642 1156 1HG LYS 69 HGR LYS 69 0.823 2.035 17.255 1157 2HG LYS 69 HGS LYS 69 -0.590 2.955 17.845 1158 1HD LYS 69 HDS LYS 69 0.287 2.882 19.854 1159 2HD LYS 69 HDR LYS 69 -0.160 1.198 19.879 1160 1HE LYS 69 HES LYS 69 2.174 0.930 18.621 1161 2HE LYS 69 HER LYS 69 2.494 2.439 19.524 1162 1HZ LYS 69 HZB LYS 69 1.494 1.051 21.442 1163 2HZ LYS 69 HZC LYS 69 1.958 -0.228 20.539 1164 3HZ LYS 69 HZA LYS 69 3.064 0.868 21.030 No H/Q in entry = 1164 Start of MODEL 33 Raw file had 1198 H/Q atoms Start of MODEL 33 1 1H MET 1 HN MET 1 5.335 8.121 -10.056 2 2H MET 1 HNC MET 1 5.843 7.476 -11.468 3 3H MET 1 HNB MET 1 5.433 9.055 -11.393 4 HA MET 1 HA MET 1 3.514 8.460 -12.202 5 1HB MET 1 HBS MET 1 4.762 5.952 -11.993 6 2HB MET 1 HBR MET 1 3.190 5.763 -11.175 7 1HG MET 1 HGS MET 1 2.676 5.273 -13.429 8 2HG MET 1 HGR MET 1 2.185 6.972 -13.237 9 1HE MET 1 HME MET 1 3.624 4.534 -15.130 10 2HE MET 1 HME MET 1 4.614 5.309 -16.393 11 3HE MET 1 HME MET 1 5.382 4.719 -14.898 12 H GLU 2 HN GLU 2 4.129 6.854 -9.063 13 HA GLU 2 HA GLU 2 3.176 7.109 -6.994 14 1HB GLU 2 HBR GLU 2 2.234 9.787 -7.988 15 2HB GLU 2 HBS GLU 2 2.585 9.289 -6.424 16 1HG GLU 2 HGS GLU 2 4.824 9.079 -8.346 17 2HG GLU 2 HGR GLU 2 4.428 10.728 -7.787 18 H LEU 3 HN LEU 3 1.135 7.548 -5.800 19 HA LEU 3 HA LEU 3 -1.116 6.494 -7.344 20 1HB LEU 3 HBS LEU 3 -1.221 7.006 -4.408 21 2HB LEU 3 HBR LEU 3 -1.822 5.621 -5.361 22 HG LEU 3 HG LEU 3 1.023 6.138 -4.460 23 1HD1 LEU 3 HMD LEU 3 -1.213 4.320 -3.633 24 2HD1 LEU 3 HMD LEU 3 0.466 3.731 -3.530 25 3HD1 LEU 3 HMD LEU 3 -0.021 5.196 -2.639 26 1HD2 LEU 3 HMD LEU 3 -0.168 3.966 -6.215 27 2HD2 LEU 3 HMD LEU 3 1.001 5.217 -6.706 28 3HD2 LEU 3 HMD LEU 3 1.482 3.957 -5.541 29 HA PRO 4 HA PRO 4 -3.017 10.543 -7.670 30 1HB PRO 4 HBR PRO 4 -4.936 9.126 -9.125 31 2HB PRO 4 HBS PRO 4 -4.013 10.389 -9.625 32 1HG PRO 4 HGS PRO 4 -3.714 7.876 -10.422 33 2HG PRO 4 HGR PRO 4 -2.575 9.078 -10.615 34 1HD PRO 4 HDR PRO 4 -2.548 6.927 -8.823 35 2HD PRO 4 HDS PRO 4 -1.291 7.903 -9.273 36 H ILE 5 HN ILE 5 -4.838 11.508 -6.842 37 HA ILE 5 HA ILE 5 -5.886 10.025 -4.587 38 HB ILE 5 HB ILE 5 -7.032 12.196 -4.063 39 1HG1 ILE 5 HG1 ILE 5 -5.695 13.914 -5.938 40 2HG1 ILE 5 HG1 ILE 5 -6.571 12.649 -6.845 41 1HG2 ILE 5 HMG ILE 5 -4.321 11.623 -3.922 42 2HG2 ILE 5 HMG ILE 5 -4.387 13.279 -4.581 43 3HG2 ILE 5 HMG ILE 5 -5.196 12.901 -3.037 44 1HD1 ILE 5 HMD ILE 5 -7.912 14.231 -4.654 45 2HD1 ILE 5 HMD ILE 5 -7.798 14.848 -6.325 46 3HD1 ILE 5 HMD ILE 5 -8.648 13.314 -5.996 47 H ALA 6 HN ALA 6 -6.848 8.408 -6.152 48 HA ALA 6 HA ALA 6 -9.679 8.919 -6.473 49 1HB ALA 6 HMB ALA 6 -7.897 9.201 -8.772 50 2HB ALA 6 HMB ALA 6 -9.125 7.931 -9.001 51 3HB ALA 6 HMB ALA 6 -9.626 9.594 -8.601 52 HA PRO 7 HA PRO 7 -8.335 4.334 -7.285 53 1HB PRO 7 HBS PRO 7 -5.674 3.963 -7.201 54 2HB PRO 7 HBR PRO 7 -6.590 3.895 -8.562 55 1HG PRO 7 HGS PRO 7 -4.842 5.902 -7.718 56 2HG PRO 7 HGR PRO 7 -5.423 5.620 -9.256 57 1HD PRO 7 HDR PRO 7 -6.234 7.601 -7.639 58 2HD PRO 7 HDS PRO 7 -7.032 7.092 -8.995 59 H ILE 8 HN ILE 8 -6.238 6.182 -5.254 60 HA ILE 8 HA ILE 8 -6.232 4.370 -3.035 61 HB ILE 8 HB ILE 8 -5.892 7.405 -3.189 62 1HG1 ILE 8 HG1 ILE 8 -3.937 5.082 -3.205 63 2HG1 ILE 8 HG1 ILE 8 -4.226 6.291 -4.487 64 1HG2 ILE 8 HMG ILE 8 -6.559 6.646 -0.924 65 2HG2 ILE 8 HMG ILE 8 -5.122 5.589 -0.896 66 3HG2 ILE 8 HMG ILE 8 -4.924 7.358 -0.994 67 1HD1 ILE 8 HMD ILE 8 -3.269 7.219 -1.802 68 2HD1 ILE 8 HMD ILE 8 -2.115 6.445 -2.922 69 3HD1 ILE 8 HMD ILE 8 -2.995 7.915 -3.422 70 H GLY 9 HN GLY 9 -8.608 6.450 -4.429 71 1HA GLY 9 HAS GLY 9 -9.934 7.420 -2.163 72 2HA GLY 9 HAR GLY 9 -10.679 7.215 -3.771 73 H ARG 10 HN ARG 10 -10.857 4.629 -4.228 74 HA ARG 10 HA ARG 10 -13.136 3.986 -2.652 75 1HB ARG 10 HBR ARG 10 -11.830 1.888 -4.335 76 2HB ARG 10 HBS ARG 10 -13.555 2.318 -4.149 77 1HG ARG 10 HGS ARG 10 -12.925 4.486 -5.414 78 2HG ARG 10 HGR ARG 10 -11.444 3.603 -5.882 79 1HD ARG 10 HDS ARG 10 -12.579 2.677 -7.522 80 2HD ARG 10 HDR ARG 10 -13.565 1.826 -6.299 81 HE ARG 10 HE ARG 10 -15.256 3.468 -6.549 82 1HH1 ARG 10 HH1 ARG 10 -12.421 4.331 -8.459 83 2HH1 ARG 10 HH1 ARG 10 -13.321 5.343 -9.537 84 1HH2 ARG 10 HH2 ARG 10 -16.419 4.698 -8.055 85 2HH2 ARG 10 HH2 ARG 10 -15.584 5.554 -9.309 86 H ILE 11 HN ILE 11 -9.782 3.217 -2.352 87 HA ILE 11 HA ILE 11 -9.991 0.972 -0.548 88 HB ILE 11 HB ILE 11 -7.868 3.142 -0.910 89 1HG1 ILE 11 HG1 ILE 11 -8.160 0.309 -1.961 90 2HG1 ILE 11 HG1 ILE 11 -8.103 1.834 -2.891 91 1HG2 ILE 11 HMG ILE 11 -7.906 2.021 1.373 92 2HG2 ILE 11 HMG ILE 11 -7.438 0.525 0.522 93 3HG2 ILE 11 HMG ILE 11 -6.378 1.958 0.457 94 1HD1 ILE 11 HMD ILE 11 -5.711 2.001 -1.723 95 2HD1 ILE 11 HMD ILE 11 -5.894 0.227 -1.696 96 3HD1 ILE 11 HMD ILE 11 -5.974 1.109 -3.245 97 H ILE 12 HN ILE 12 -10.104 4.505 -0.252 98 HA ILE 12 HA ILE 12 -10.525 4.199 2.682 99 HB ILE 12 HB ILE 12 -9.842 6.871 1.415 100 1HG1 ILE 12 HG1 ILE 12 -8.011 5.655 0.603 101 2HG1 ILE 12 HG1 ILE 12 -7.427 6.437 2.098 102 1HG2 ILE 12 HMG ILE 12 -10.156 5.789 4.100 103 2HG2 ILE 12 HMG ILE 12 -8.645 6.713 3.886 104 3HG2 ILE 12 HMG ILE 12 -10.215 7.471 3.508 105 1HD1 ILE 12 HMD ILE 12 -8.481 3.644 2.285 106 2HD1 ILE 12 HMD ILE 12 -6.886 3.906 1.530 107 3HD1 ILE 12 HMD ILE 12 -7.181 4.450 3.203 108 H LYS 13 HN LYS 13 -12.485 3.448 1.022 109 HA LYS 13 HA LYS 13 -14.554 5.308 1.843 110 1HB LYS 13 HBR LYS 13 -13.830 5.000 -1.033 111 2HB LYS 13 HBS LYS 13 -15.565 4.912 -0.618 112 1HG LYS 13 HGR LYS 13 -15.699 7.132 -0.356 113 2HG LYS 13 HGS LYS 13 -14.266 7.161 0.711 114 1HD LYS 13 HDS LYS 13 -12.787 7.485 -1.024 115 2HD LYS 13 HDR LYS 13 -13.876 6.834 -2.216 116 1HE LYS 13 HES LYS 13 -14.055 9.526 -0.884 117 2HE LYS 13 HER LYS 13 -13.726 9.151 -2.598 118 1HZ LYS 13 HZA LYS 13 -15.985 8.077 -2.538 119 2HZ LYS 13 HZB LYS 13 -16.243 8.869 -1.134 120 3HZ LYS 13 HZC LYS 13 -15.950 9.709 -2.502 121 H ASP 14 HN ASP 14 -13.754 2.448 -0.151 122 HA ASP 14 HA ASP 14 -15.862 0.858 0.459 123 1HB ASP 14 HBS ASP 14 -14.045 0.290 -1.081 124 2HB ASP 14 HBR ASP 14 -12.999 -0.070 0.324 125 H ALA 15 HN ALA 15 -13.067 1.516 2.511 126 HA ALA 15 HA ALA 15 -13.730 0.111 4.794 127 1HB ALA 15 HMB ALA 15 -12.555 2.855 4.379 128 2HB ALA 15 HMB ALA 15 -12.781 2.162 6.005 129 3HB ALA 15 HMB ALA 15 -11.738 1.333 4.821 130 H GLY 16 HN GLY 16 -15.044 3.245 3.720 131 1HA GLY 16 HAR GLY 16 -17.363 3.786 4.485 132 2HA GLY 16 HAS GLY 16 -16.848 3.263 6.110 133 H ALA 17 HN ALA 17 -14.636 4.972 4.006 134 HA ALA 17 HA ALA 17 -14.403 7.154 5.840 135 1HB ALA 17 HMB ALA 17 -12.854 5.974 3.868 136 2HB ALA 17 HMB ALA 17 -13.224 7.589 3.209 137 3HB ALA 17 HMB ALA 17 -12.454 7.433 4.810 138 H GLU 18 HN GLU 18 -15.121 9.189 5.765 139 HA GLU 18 HA GLU 18 -17.447 9.636 4.065 140 1HB GLU 18 HBR GLU 18 -16.748 10.110 6.661 141 2HB GLU 18 HBS GLU 18 -16.366 11.594 5.976 142 1HG GLU 18 HGS GLU 18 -18.430 12.312 5.689 143 2HG GLU 18 HGR GLU 18 -19.051 10.754 5.082 144 H ARG 19 HN ARG 19 -14.380 11.335 4.802 145 HA ARG 19 HA ARG 19 -14.327 12.685 2.214 146 1HB ARG 19 HBS ARG 19 -15.499 13.947 4.616 147 2HB ARG 19 HBR ARG 19 -14.222 14.900 3.804 148 1HG ARG 19 HGS ARG 19 -16.293 13.739 2.027 149 2HG ARG 19 HGR ARG 19 -16.856 15.003 3.157 150 1HD ARG 19 HDS ARG 19 -14.472 15.998 2.186 151 2HD ARG 19 HDR ARG 19 -15.211 15.201 0.768 152 HE ARG 19 HE ARG 19 -17.149 16.798 2.132 153 1HH1 ARG 19 HH1 ARG 19 -14.508 16.908 -0.203 154 2HH1 ARG 19 HH1 ARG 19 -14.961 18.468 -0.805 155 1HH2 ARG 19 HH2 ARG 19 -17.632 18.891 1.409 156 2HH2 ARG 19 HH2 ARG 19 -16.730 19.590 0.106 157 H VAL 20 HN VAL 20 -12.558 14.397 2.262 158 HA VAL 20 HA VAL 20 -10.451 13.708 4.239 159 HB VAL 20 HB VAL 20 -8.780 14.406 2.539 160 1HG1 VAL 20 HMG VAL 20 -9.231 12.030 3.044 161 2HG1 VAL 20 HMG VAL 20 -10.410 11.990 1.710 162 3HG1 VAL 20 HMG VAL 20 -8.690 12.293 1.368 163 1HG2 VAL 20 HMG VAL 20 -10.778 15.448 1.100 164 2HG2 VAL 20 HMG VAL 20 -9.232 14.927 0.389 165 3HG2 VAL 20 HMG VAL 20 -10.655 13.860 0.305 166 H SER 21 HN SER 21 -8.743 15.757 3.815 167 HA SER 21 HA SER 21 -10.344 18.083 4.729 168 1HB SER 21 HBS SER 21 -8.380 18.984 5.658 169 2HB SER 21 HBR SER 21 -8.411 17.259 6.127 170 HG SER 21 HG SER 21 -7.024 16.742 4.393 171 H ASP 22 HN ASP 22 -7.368 17.599 2.795 172 HA ASP 22 HA ASP 22 -8.805 18.580 0.471 173 1HB ASP 22 HBR ASP 22 -7.866 20.657 1.238 174 2HB ASP 22 HBS ASP 22 -6.237 19.927 1.317 175 H ASP 23 HN ASP 23 -5.852 17.249 1.891 176 HA ASP 23 HA ASP 23 -5.894 15.308 -0.348 177 1HB ASP 23 HBS ASP 23 -3.644 16.200 1.421 178 2HB ASP 23 HBR ASP 23 -3.602 14.648 0.537 179 H ALA 24 HN ALA 24 -4.245 14.124 2.358 180 HA ALA 24 HA ALA 24 -4.921 12.847 4.235 181 1HB ALA 24 HMB ALA 24 -7.502 13.439 3.590 182 2HB ALA 24 HMB ALA 24 -7.366 11.778 2.959 183 3HB ALA 24 HMB ALA 24 -6.996 12.115 4.668 184 H ARG 25 HN ARG 25 -5.819 12.165 0.861 185 HA ARG 25 HA ARG 25 -4.883 9.365 1.095 186 1HB ARG 25 HBR ARG 25 -5.637 10.515 -1.543 187 2HB ARG 25 HBS ARG 25 -5.944 8.901 -0.843 188 1HG ARG 25 HGS ARG 25 -7.398 11.278 0.274 189 2HG ARG 25 HGR ARG 25 -7.916 10.595 -1.293 190 1HD ARG 25 HDS ARG 25 -9.137 9.205 -0.079 191 2HD ARG 25 HDR ARG 25 -7.596 8.360 0.245 192 HE ARG 25 HE ARG 25 -7.476 9.888 2.293 193 1HH1 ARG 25 HH1 ARG 25 -10.443 8.533 0.958 194 2HH1 ARG 25 HH1 ARG 25 -11.354 8.818 2.403 195 1HH2 ARG 25 HH2 ARG 25 -8.720 10.322 4.137 196 2HH2 ARG 25 HH2 ARG 25 -10.374 9.810 4.210 197 H ILE 26 HN ILE 26 -3.779 12.509 0.319 198 HA ILE 26 HA ILE 26 -1.708 11.708 -1.579 199 HB ILE 26 HB ILE 26 -2.891 14.101 -1.024 200 1HG1 ILE 26 HG1 ILE 26 -1.675 13.393 -3.014 201 2HG1 ILE 26 HG1 ILE 26 -1.260 15.060 -2.516 202 1HG2 ILE 26 HMG ILE 26 -1.809 14.507 1.108 203 2HG2 ILE 26 HMG ILE 26 -0.203 14.325 0.356 204 3HG2 ILE 26 HMG ILE 26 -1.267 15.671 -0.130 205 1HD1 ILE 26 HMD ILE 26 0.844 14.229 -1.544 206 2HD1 ILE 26 HMD ILE 26 0.432 12.579 -2.080 207 3HD1 ILE 26 HMD ILE 26 0.724 13.861 -3.284 208 H THR 27 HN THR 27 -2.081 12.219 1.913 209 HA THR 27 HA THR 27 0.640 11.642 2.650 210 HB THR 27 HB THR 27 -2.023 11.480 4.159 211 HG1 THR 27 HG1 THR 27 -1.587 13.167 4.787 212 1HG2 THR 27 HMG THR 27 0.760 10.923 5.201 213 2HG2 THR 27 HMG THR 27 -0.590 11.432 6.245 214 3HG2 THR 27 HMG THR 27 -0.698 9.907 5.331 215 H LEU 28 HN LEU 28 -2.349 9.691 2.422 216 HA LEU 28 HA LEU 28 -1.183 7.163 2.852 217 1HB LEU 28 HBR LEU 28 -3.666 8.281 2.305 218 2HB LEU 28 HBS LEU 28 -3.351 7.254 0.882 219 HG LEU 28 HG LEU 28 -3.408 5.288 2.118 220 1HD1 LEU 28 HMD LEU 28 -1.927 5.962 3.966 221 2HD1 LEU 28 HMD LEU 28 -3.245 6.940 4.661 222 3HD1 LEU 28 HMD LEU 28 -3.408 5.169 4.554 223 1HD2 LEU 28 HMD LEU 28 -5.572 6.428 1.847 224 2HD2 LEU 28 HMD LEU 28 -5.519 5.424 3.319 225 3HD2 LEU 28 HMD LEU 28 -5.361 7.195 3.443 226 H ALA 29 HN ALA 29 -1.573 9.077 -0.122 227 HA ALA 29 HA ALA 29 -0.237 7.293 -1.833 228 1HB ALA 29 HMB ALA 29 -0.532 10.305 -1.902 229 2HB ALA 29 HMB ALA 29 0.159 9.338 -3.229 230 3HB ALA 29 HMB ALA 29 -1.530 9.080 -2.725 231 H LYS 30 HN LYS 30 1.008 9.752 0.377 232 HA LYS 30 HA LYS 30 3.762 9.170 -0.367 233 1HB LYS 30 HBS LYS 30 2.337 11.198 1.124 234 2HB LYS 30 HBR LYS 30 3.707 10.565 2.080 235 1HG LYS 30 HGR LYS 30 4.401 11.104 -0.729 236 2HG LYS 30 HGS LYS 30 3.839 12.555 0.151 237 1HD LYS 30 HDS LYS 30 6.124 12.574 0.471 238 2HD LYS 30 HDR LYS 30 5.448 11.977 1.962 239 1HE LYS 30 HES LYS 30 6.563 10.071 1.850 240 2HE LYS 30 HER LYS 30 6.021 9.794 0.170 241 1HZ LYS 30 HZA LYS 30 7.804 11.689 -0.185 242 2HZ LYS 30 HZB LYS 30 8.458 10.982 1.134 243 3HZ LYS 30 HZC LYS 30 8.185 10.101 -0.214 244 H ILE 31 HN ILE 31 1.959 7.045 0.797 245 HA ILE 31 HA ILE 31 3.781 6.182 2.982 246 HB ILE 31 HB ILE 31 0.764 6.566 2.958 247 1HG1 ILE 31 HG1 ILE 31 2.864 7.291 5.028 248 2HG1 ILE 31 HG1 ILE 31 2.352 8.356 3.689 249 1HG2 ILE 31 HMG ILE 31 1.564 4.205 3.843 250 2HG2 ILE 31 HMG ILE 31 1.976 5.163 5.290 251 3HG2 ILE 31 HMG ILE 31 0.303 5.156 4.672 252 1HD1 ILE 31 HMD ILE 31 0.002 8.187 4.599 253 2HD1 ILE 31 HMD ILE 31 0.695 7.369 6.024 254 3HD1 ILE 31 HMD ILE 31 1.166 9.047 5.643 255 H LEU 32 HN LEU 32 0.809 4.925 1.439 256 HA LEU 32 HA LEU 32 1.583 2.321 1.169 257 1HB LEU 32 HBS LEU 32 -0.504 4.018 0.351 258 2HB LEU 32 HBR LEU 32 0.020 3.149 -1.119 259 HG LEU 32 HG LEU 32 -0.317 1.371 1.170 260 1HD1 LEU 32 HMD LEU 32 -2.544 3.214 0.340 261 2HD1 LEU 32 HMD LEU 32 -2.901 1.532 0.809 262 3HD1 LEU 32 HMD LEU 32 -2.097 2.628 1.962 263 1HD2 LEU 32 HMD LEU 32 -0.595 1.495 -1.693 264 2HD2 LEU 32 HMD LEU 32 -0.521 0.070 -0.626 265 3HD2 LEU 32 HMD LEU 32 -2.089 0.842 -0.975 266 H GLU 33 HN GLU 33 2.302 4.992 -1.048 267 HA GLU 33 HA GLU 33 3.341 3.201 -3.089 268 1HB GLU 33 HBS GLU 33 2.064 5.401 -3.181 269 2HB GLU 33 HBR GLU 33 3.504 6.211 -2.883 270 1HG GLU 33 HGS GLU 33 3.236 4.165 -5.096 271 2HG GLU 33 HGR GLU 33 2.693 5.834 -5.414 272 H GLU 34 HN GLU 34 4.607 5.051 -0.423 273 HA GLU 34 HA GLU 34 7.412 4.711 -1.325 274 1HB GLU 34 HBS GLU 34 6.524 6.750 -0.330 275 2HB GLU 34 HBR GLU 34 6.119 5.973 1.101 276 1HG GLU 34 HGS GLU 34 8.431 5.623 1.678 277 2HG GLU 34 HGR GLU 34 9.004 5.965 0.023 278 H MET 35 HN MET 35 5.299 2.584 -0.421 279 HA MET 35 HA MET 35 7.419 1.054 0.979 280 1HB MET 35 HBR MET 35 5.184 1.599 2.309 281 2HB MET 35 HBS MET 35 4.561 0.244 1.334 282 1HG MET 35 HGS MET 35 5.377 -0.833 3.273 283 2HG MET 35 HGR MET 35 6.688 -1.030 2.088 284 1HE MET 35 HME MET 35 5.074 1.193 4.537 285 2HE MET 35 HME MET 35 6.309 1.504 5.784 286 3HE MET 35 HME MET 35 6.142 2.614 4.401 287 H GLY 36 HN GLY 36 4.665 1.116 -1.246 288 1HA GLY 36 HAR GLY 36 4.817 -1.395 -2.344 289 2HA GLY 36 HAS GLY 36 4.337 0.057 -3.267 290 H ARG 37 HN ARG 37 6.900 1.392 -3.005 291 HA ARG 37 HA ARG 37 8.140 0.262 -5.396 292 1HB ARG 37 HBR ARG 37 8.419 2.727 -3.760 293 2HB ARG 37 HBS ARG 37 9.899 2.129 -4.563 294 1HG ARG 37 HGS ARG 37 8.018 1.999 -6.579 295 2HG ARG 37 HGR ARG 37 7.540 3.470 -5.685 296 1HD ARG 37 HDS ARG 37 9.047 4.345 -7.137 297 2HD ARG 37 HDR ARG 37 10.114 3.955 -5.760 298 HE ARG 37 HE ARG 37 10.174 1.695 -7.333 299 1HH1 ARG 37 HH1 ARG 37 11.079 5.088 -7.653 300 2HH1 ARG 37 HH1 ARG 37 12.172 4.786 -8.962 301 1HH2 ARG 37 HH2 ARG 37 11.514 1.358 -9.131 302 2HH2 ARG 37 HH2 ARG 37 12.418 2.676 -9.799 303 H ASP 38 HN ASP 38 8.389 -0.095 -1.992 304 HA ASP 38 HA ASP 38 11.234 -0.807 -2.134 305 1HB ASP 38 HBR ASP 38 9.447 -0.147 0.204 306 2HB ASP 38 HBS ASP 38 11.158 -0.651 0.335 307 H ILE 39 HN ILE 39 8.171 -2.282 -1.966 308 HA ILE 39 HA ILE 39 9.186 -4.833 -0.906 309 HB ILE 39 HB ILE 39 6.506 -4.230 -2.247 310 1HG1 ILE 39 HG1 ILE 39 7.039 -4.270 0.740 311 2HG1 ILE 39 HG1 ILE 39 7.101 -2.776 -0.239 312 1HG2 ILE 39 HMG ILE 39 7.113 -6.617 -2.099 313 2HG2 ILE 39 HMG ILE 39 7.274 -6.444 -0.332 314 3HG2 ILE 39 HMG ILE 39 5.688 -6.199 -1.111 315 1HD1 ILE 39 HMD ILE 39 4.654 -4.476 -0.434 316 2HD1 ILE 39 HMD ILE 39 4.906 -3.531 1.058 317 3HD1 ILE 39 HMD ILE 39 4.835 -2.704 -0.523 318 H ALA 40 HN ALA 40 8.935 -3.093 -3.874 319 HA ALA 40 HA ALA 40 8.454 -5.329 -5.603 320 1HB ALA 40 HMB ALA 40 7.831 -2.975 -6.086 321 2HB ALA 40 HMB ALA 40 9.560 -2.596 -6.298 322 3HB ALA 40 HMB ALA 40 8.762 -3.757 -7.389 323 H SER 41 HN SER 41 11.289 -3.137 -5.571 324 HA SER 41 HA SER 41 12.926 -4.885 -7.068 325 1HB SER 41 HBS SER 41 13.126 -2.289 -6.001 326 2HB SER 41 HBR SER 41 14.520 -3.204 -5.358 327 HG SER 41 HG SER 41 14.982 -3.972 -7.478 328 H GLU 42 HN GLU 42 11.985 -4.969 -3.781 329 HA GLU 42 HA GLU 42 14.166 -6.658 -2.906 330 1HB GLU 42 HBR GLU 42 11.433 -6.014 -1.779 331 2HB GLU 42 HBS GLU 42 12.565 -6.995 -1.023 332 1HG GLU 42 HGR GLU 42 13.365 -4.155 -1.767 333 2HG GLU 42 HGS GLU 42 12.526 -4.580 -0.250 334 H ALA 43 HN ALA 43 10.729 -7.176 -3.768 335 HA ALA 43 HA ALA 43 10.794 -10.058 -3.613 336 1HB ALA 43 HMB ALA 43 8.721 -8.715 -3.589 337 2HB ALA 43 HMB ALA 43 9.032 -8.237 -5.276 338 3HB ALA 43 HMB ALA 43 8.739 -9.948 -4.875 339 H ILE 44 HN ILE 44 11.689 -7.613 -5.978 340 HA ILE 44 HA ILE 44 12.025 -9.433 -8.151 341 HB ILE 44 HB ILE 44 13.010 -6.591 -7.628 342 1HG1 ILE 44 HG1 ILE 44 10.774 -7.665 -9.390 343 2HG1 ILE 44 HG1 ILE 44 10.567 -6.989 -7.749 344 1HG2 ILE 44 HMG ILE 44 13.950 -8.353 -9.651 345 2HG2 ILE 44 HMG ILE 44 12.911 -7.125 -10.423 346 3HG2 ILE 44 HMG ILE 44 14.296 -6.619 -9.420 347 1HD1 ILE 44 HMD ILE 44 11.616 -5.491 -10.170 348 2HD1 ILE 44 HMD ILE 44 9.975 -5.362 -9.484 349 3HD1 ILE 44 HMD ILE 44 11.383 -4.818 -8.535 350 H LYS 45 HN LYS 45 14.441 -7.723 -6.122 351 HA LYS 45 HA LYS 45 16.675 -9.248 -6.903 352 1HB LYS 45 HBR LYS 45 16.373 -7.110 -5.324 353 2HB LYS 45 HBS LYS 45 16.496 -8.367 -4.060 354 1HG LYS 45 HGR LYS 45 18.700 -8.764 -4.475 355 2HG LYS 45 HGS LYS 45 18.534 -8.472 -6.230 356 1HD LYS 45 HDS LYS 45 18.061 -5.993 -5.052 357 2HD LYS 45 HDR LYS 45 19.342 -6.685 -4.094 358 1HE LYS 45 HES LYS 45 20.596 -7.175 -6.206 359 2HE LYS 45 HER LYS 45 19.342 -6.236 -7.064 360 1HZ LYS 45 HZB LYS 45 20.507 -4.941 -4.787 361 2HZ LYS 45 HZC LYS 45 21.536 -5.183 -6.031 362 3HZ LYS 45 HZA LYS 45 20.155 -4.343 -6.265 363 H LEU 46 HN LEU 46 13.986 -10.021 -4.857 364 HA LEU 46 HA LEU 46 15.215 -12.110 -3.274 365 1HB LEU 46 HBR LEU 46 12.519 -11.005 -3.846 366 2HB LEU 46 HBS LEU 46 12.585 -12.720 -3.349 367 HG LEU 46 HG LEU 46 13.970 -10.612 -1.716 368 1HD1 LEU 46 HMD LEU 46 11.666 -9.810 -2.058 369 2HD1 LEU 46 HMD LEU 46 11.043 -11.392 -1.524 370 3HD1 LEU 46 HMD LEU 46 11.938 -10.355 -0.384 371 1HD2 LEU 46 HMD LEU 46 12.905 -13.405 -1.422 372 2HD2 LEU 46 HMD LEU 46 14.495 -12.736 -0.971 373 3HD2 LEU 46 HMD LEU 46 13.058 -12.365 0.017 374 H ALA 47 HN ALA 47 13.542 -11.885 -6.395 375 HA ALA 47 HA ALA 47 12.950 -14.579 -6.721 376 1HB ALA 47 HMB ALA 47 12.809 -12.185 -8.253 377 2HB ALA 47 HMB ALA 47 13.508 -13.461 -9.283 378 3HB ALA 47 HMB ALA 47 11.936 -13.720 -8.486 379 H ARG 48 HN ARG 48 15.955 -12.864 -7.281 380 HA ARG 48 HA ARG 48 17.148 -15.243 -8.541 381 1HB ARG 48 HBR ARG 48 18.997 -13.814 -9.102 382 2HB ARG 48 HBS ARG 48 17.464 -13.022 -9.566 383 1HG ARG 48 HGS ARG 48 17.672 -11.773 -7.314 384 2HG ARG 48 HGR ARG 48 19.373 -12.318 -7.335 385 1HD ARG 48 HDS ARG 48 19.236 -11.374 -9.807 386 2HD ARG 48 HDR ARG 48 17.949 -10.376 -9.074 387 HE ARG 48 HE ARG 48 19.563 -9.216 -7.890 388 1HH1 ARG 48 HH1 ARG 48 21.039 -11.975 -9.515 389 2HH1 ARG 48 HH1 ARG 48 22.637 -11.572 -8.983 390 1HH2 ARG 48 HH2 ARG 48 21.649 -8.793 -7.108 391 2HH2 ARG 48 HH2 ARG 48 22.983 -9.770 -7.623 392 H HIS 49 HN HIS 49 17.136 -13.472 -5.542 393 HA HIS 49 HA HIS 49 19.475 -14.683 -4.356 394 1HB HIS 49 HBS HIS 49 18.165 -12.641 -3.446 395 2HB HIS 49 HBR HIS 49 17.016 -13.845 -2.792 396 HD1 HIS 49 HD1 HIS 49 17.553 -14.170 -0.337 397 HD2 HIS 49 HD2 HIS 49 20.978 -13.803 -2.679 398 HE1 HIS 49 HE1 HIS 49 19.496 -14.632 1.176 399 HE2 HIS 49 HE2 HIS 49 21.570 -14.435 -0.240 400 H ALA 50 HN ALA 50 16.054 -15.522 -4.708 401 HA ALA 50 HA ALA 50 16.123 -18.003 -3.246 402 1HB ALA 50 HMB ALA 50 14.366 -16.701 -5.274 403 2HB ALA 50 HMB ALA 50 14.254 -18.468 -5.072 404 3HB ALA 50 HMB ALA 50 13.977 -17.393 -3.678 405 H GLY 51 HN GLY 51 16.690 -17.063 -6.642 406 1HA GLY 51 HAR GLY 51 18.591 -17.873 -7.825 407 2HA GLY 51 HAS GLY 51 18.543 -19.369 -6.855 408 H ARG 52 HN ARG 52 15.509 -18.186 -7.989 409 HA ARG 52 HA ARG 52 15.489 -18.926 -10.661 410 1HB ARG 52 HBS ARG 52 14.317 -21.048 -10.718 411 2HB ARG 52 HBR ARG 52 15.920 -21.227 -9.947 412 1HG ARG 52 HGS ARG 52 14.489 -20.902 -7.732 413 2HG ARG 52 HGR ARG 52 13.177 -21.510 -8.782 414 1HD ARG 52 HDS ARG 52 14.833 -23.362 -9.417 415 2HD ARG 52 HDR ARG 52 15.743 -22.841 -7.972 416 HE ARG 52 HE ARG 52 13.494 -24.519 -7.961 417 1HH1 ARG 52 HH1 ARG 52 14.848 -21.780 -6.200 418 2HH1 ARG 52 HH1 ARG 52 13.875 -22.063 -4.796 419 1HH2 ARG 52 HH2 ARG 52 12.146 -24.777 -6.158 420 2HH2 ARG 52 HH2 ARG 52 12.346 -23.759 -4.770 421 H LYS 53 HN LYS 53 13.011 -19.797 -11.162 422 HA LYS 53 HA LYS 53 10.751 -19.446 -11.056 423 1HB LYS 53 HBS LYS 53 11.530 -19.772 -8.394 424 2HB LYS 53 HBR LYS 53 10.570 -18.265 -8.400 425 1HG LYS 53 HGR LYS 53 8.771 -19.602 -8.236 426 2HG LYS 53 HGS LYS 53 9.046 -19.971 -9.963 427 1HD LYS 53 HDS LYS 53 8.746 -22.012 -8.753 428 2HD LYS 53 HDR LYS 53 10.356 -21.891 -9.408 429 1HE LYS 53 HES LYS 53 10.634 -22.780 -7.263 430 2HE LYS 53 HER LYS 53 11.124 -21.065 -7.162 431 1HZ LYS 53 HZA LYS 53 8.638 -20.819 -6.507 432 2HZ LYS 53 HZB LYS 53 8.795 -22.377 -6.044 433 3HZ LYS 53 HZC LYS 53 9.758 -21.231 -5.393 434 H THR 54 HN THR 54 9.481 -17.859 -11.743 435 HA THR 54 HA THR 54 10.279 -15.104 -11.871 436 HB THR 54 HB THR 54 7.517 -16.406 -12.199 437 HG1 THR 54 HG1 THR 54 7.901 -16.373 -14.106 438 1HG2 THR 54 HMG THR 54 8.457 -13.590 -12.738 439 2HG2 THR 54 HMG THR 54 7.080 -14.314 -13.607 440 3HG2 THR 54 HMG THR 54 7.023 -14.140 -11.834 441 H ILE 55 HN ILE 55 8.939 -13.356 -10.906 442 HA ILE 55 HA ILE 55 8.877 -13.403 -8.111 443 HB ILE 55 HB ILE 55 7.160 -11.625 -9.908 444 1HG1 ILE 55 HG1 ILE 55 9.328 -11.599 -10.871 445 2HG1 ILE 55 HG1 ILE 55 9.163 -10.092 -9.927 446 1HG2 ILE 55 HMG ILE 55 6.887 -11.561 -7.368 447 2HG2 ILE 55 HMG ILE 55 8.511 -10.827 -7.337 448 3HG2 ILE 55 HMG ILE 55 7.184 -10.018 -8.212 449 1HD1 ILE 55 HMD ILE 55 10.319 -11.673 -8.071 450 2HD1 ILE 55 HMD ILE 55 10.991 -12.398 -9.557 451 3HD1 ILE 55 HMD ILE 55 11.234 -10.663 -9.222 452 H LYS 56 HN LYS 56 7.381 -13.779 -6.583 453 HA LYS 56 HA LYS 56 4.729 -14.833 -7.233 454 1HB LYS 56 HBS LYS 56 7.019 -16.569 -7.237 455 2HB LYS 56 HBR LYS 56 5.994 -16.944 -5.823 456 1HG LYS 56 HGR LYS 56 4.153 -16.678 -7.884 457 2HG LYS 56 HGS LYS 56 5.545 -17.465 -8.681 458 1HD LYS 56 HDS LYS 56 4.638 -18.532 -6.053 459 2HD LYS 56 HDR LYS 56 3.616 -18.797 -7.439 460 1HE LYS 56 HES LYS 56 6.535 -19.545 -7.315 461 2HE LYS 56 HER LYS 56 5.158 -20.647 -7.036 462 1HZ LYS 56 HZA LYS 56 5.439 -19.116 -9.515 463 2HZ LYS 56 HZB LYS 56 6.130 -20.584 -9.329 464 3HZ LYS 56 HZC LYS 56 4.506 -20.426 -9.234 465 H ALA 57 HN ALA 57 3.975 -16.101 -5.141 466 HA ALA 57 HA ALA 57 3.638 -14.110 -3.250 467 1HB ALA 57 HMB ALA 57 2.506 -16.536 -3.767 468 2HB ALA 57 HMB ALA 57 3.306 -16.844 -2.206 469 3HB ALA 57 HMB ALA 57 2.136 -15.510 -2.360 470 H GLU 58 HN GLU 58 6.173 -16.469 -3.502 471 HA GLU 58 HA GLU 58 7.127 -16.021 -0.781 472 1HB GLU 58 HBR GLU 58 8.451 -17.432 -3.099 473 2HB GLU 58 HBS GLU 58 8.852 -17.519 -1.471 474 1HG GLU 58 HGS GLU 58 7.616 -19.308 -1.225 475 2HG GLU 58 HGR GLU 58 6.162 -18.280 -1.340 476 H ASP 59 HN ASP 59 7.562 -14.620 -3.902 477 HA ASP 59 HA ASP 59 10.025 -13.220 -3.176 478 1HB ASP 59 HBR ASP 59 8.201 -12.601 -5.491 479 2HB ASP 59 HBS ASP 59 9.907 -12.124 -5.249 480 H ILE 60 HN ILE 60 6.539 -12.630 -3.310 481 HA ILE 60 HA ILE 60 6.760 -9.814 -2.847 482 HB ILE 60 HB ILE 60 4.380 -11.714 -2.569 483 1HG1 ILE 60 HG1 ILE 60 5.224 -11.858 -4.779 484 2HG1 ILE 60 HG1 ILE 60 3.785 -10.801 -4.848 485 1HG2 ILE 60 HMG ILE 60 4.614 -8.775 -2.258 486 2HG2 ILE 60 HMG ILE 60 3.230 -9.378 -3.208 487 3HG2 ILE 60 HMG ILE 60 3.469 -9.933 -1.530 488 1HD1 ILE 60 HMD ILE 60 6.099 -9.167 -4.438 489 2HD1 ILE 60 HMD ILE 60 6.414 -10.283 -5.793 490 3HD1 ILE 60 HMD ILE 60 4.984 -9.215 -5.830 491 H GLU 61 HN GLU 61 5.598 -12.486 -0.759 492 HA GLU 61 HA GLU 61 4.957 -10.780 1.398 493 1HB GLU 61 HBR GLU 61 5.400 -13.738 1.055 494 2HB GLU 61 HBS GLU 61 5.157 -13.081 2.580 495 1HG GLU 61 HGS GLU 61 3.032 -12.146 2.092 496 2HG GLU 61 HGR GLU 61 3.118 -12.592 0.367 497 H LEU 62 HN LEU 62 7.815 -12.802 0.737 498 HA LEU 62 HA LEU 62 9.290 -12.149 3.107 499 1HB LEU 62 HBR LEU 62 9.584 -13.616 0.662 500 2HB LEU 62 HBS LEU 62 11.008 -12.560 0.883 501 HG LEU 62 HG LEU 62 10.798 -13.682 3.352 502 1HD1 LEU 62 HMD LEU 62 9.425 -15.439 1.409 503 2HD1 LEU 62 HMD LEU 62 10.693 -16.225 2.382 504 3HD1 LEU 62 HMD LEU 62 9.337 -15.397 3.188 505 1HD2 LEU 62 HMD LEU 62 12.769 -13.414 1.888 506 2HD2 LEU 62 HMD LEU 62 12.691 -15.034 2.626 507 3HD2 LEU 62 HMD LEU 62 12.225 -14.808 0.920 508 H ALA 63 HN ALA 63 8.929 -10.652 -0.096 509 HA ALA 63 HA ALA 63 10.910 -8.727 0.107 510 1HB ALA 63 HMB ALA 63 8.451 -9.108 -1.470 511 2HB ALA 63 HMB ALA 63 8.995 -7.417 -1.324 512 3HB ALA 63 HMB ALA 63 10.098 -8.655 -1.978 513 H VAL 64 HN VAL 64 7.972 -8.944 1.865 514 HA VAL 64 HA VAL 64 7.815 -6.048 2.154 515 HB VAL 64 HB VAL 64 6.061 -8.042 1.522 516 1HG1 VAL 64 HMG VAL 64 5.918 -8.164 4.275 517 2HG1 VAL 64 HMG VAL 64 4.568 -7.086 3.849 518 3HG1 VAL 64 HMG VAL 64 4.679 -8.704 3.118 519 1HG2 VAL 64 HMG VAL 64 6.010 -5.165 1.914 520 2HG2 VAL 64 HMG VAL 64 5.268 -6.189 0.660 521 3HG2 VAL 64 HMG VAL 64 4.420 -5.912 2.200 522 H ARG 65 HN ARG 65 7.570 -8.877 4.344 523 HA ARG 65 HA ARG 65 8.175 -7.204 6.618 524 1HB ARG 65 HBR ARG 65 6.863 -9.605 6.210 525 2HB ARG 65 HBS ARG 65 8.369 -10.096 7.037 526 1HG ARG 65 HGS ARG 65 7.827 -8.989 8.982 527 2HG ARG 65 HGR ARG 65 6.776 -7.809 8.148 528 1HD ARG 65 HDS ARG 65 5.036 -9.353 7.924 529 2HD ARG 65 HDR ARG 65 6.098 -10.732 8.324 530 HE ARG 65 HE ARG 65 4.831 -8.870 10.199 531 1HH1 ARG 65 HH1 ARG 65 7.503 -11.129 9.762 532 2HH1 ARG 65 HH1 ARG 65 7.516 -11.606 11.427 533 1HH2 ARG 65 HH2 ARG 65 4.800 -9.606 12.343 534 2HH2 ARG 65 HH2 ARG 65 5.991 -10.738 12.890 535 H ARG 66 HN ARG 66 10.225 -7.725 4.396 536 HA ARG 66 HA ARG 66 12.434 -8.638 6.172 537 1HB ARG 66 HBR ARG 66 12.020 -10.097 4.257 538 2HB ARG 66 HBS ARG 66 12.201 -8.710 3.145 539 1HG ARG 66 HGS ARG 66 14.533 -8.491 3.698 540 2HG ARG 66 HGR ARG 66 14.391 -9.718 4.989 541 1HD ARG 66 HDS ARG 66 14.106 -11.453 3.468 542 2HD ARG 66 HDR ARG 66 13.714 -10.338 2.130 543 HE ARG 66 HE ARG 66 16.376 -11.062 3.107 544 1HH1 ARG 66 HH1 ARG 66 14.401 -9.113 0.933 545 2HH1 ARG 66 HH1 ARG 66 15.766 -8.510 0.056 546 1HH2 ARG 66 HH2 ARG 66 18.145 -10.156 2.017 547 2HH2 ARG 66 HH2 ARG 66 17.886 -9.099 0.669 548 H PHE 67 HN PHE 67 11.767 -6.473 3.392 549 HA PHE 67 HA PHE 67 14.319 -5.431 3.294 550 1HB PHE 67 HBS PHE 67 13.500 -3.643 1.863 551 2HB PHE 67 HBR PHE 67 12.688 -5.178 1.443 552 HD1 PHE 67 HD2 PHE 67 10.331 -5.483 2.888 553 HD2 PHE 67 HD1 PHE 67 12.289 -1.808 1.984 554 HE1 PHE 67 HE2 PHE 67 8.163 -4.299 3.026 555 HE2 PHE 67 HE1 PHE 67 10.159 -0.603 2.171 556 HZ PHE 67 HZ PHE 67 8.120 -1.826 2.831 557 H LYS 68 HN LYS 68 11.464 -4.030 4.913 558 HA LYS 68 HA LYS 68 11.247 -2.371 6.487 559 1HB LYS 68 HBS LYS 68 14.199 -2.041 6.838 560 2HB LYS 68 HBR LYS 68 12.870 -1.910 8.025 561 1HG LYS 68 HGR LYS 68 13.248 -3.999 8.719 562 2HG LYS 68 HGS LYS 68 13.006 -4.621 7.061 563 1HD LYS 68 HDS LYS 68 15.186 -4.825 6.642 564 2HD LYS 68 HDR LYS 68 15.589 -3.340 7.460 565 1HE LYS 68 HES LYS 68 16.523 -4.600 9.025 566 2HE LYS 68 HER LYS 68 14.850 -4.940 9.550 567 1HZ LYS 68 HZC LYS 68 15.791 -6.574 7.400 568 2HZ LYS 68 HZA LYS 68 16.602 -6.791 8.802 569 3HZ LYS 68 HZB LYS 68 14.981 -6.992 8.756 570 H LYS 69 HN LYS 69 11.533 -0.076 6.643 571 HA LYS 69 HA LYS 69 11.369 1.063 4.114 572 1HB LYS 69 HBR LYS 69 12.092 2.765 6.488 573 2HB LYS 69 HBS LYS 69 10.971 3.098 5.138 574 1HG LYS 69 HGR LYS 69 9.281 2.510 6.474 575 2HG LYS 69 HGS LYS 69 9.917 0.841 6.467 576 1HD LYS 69 HDS LYS 69 9.534 1.663 8.727 577 2HD LYS 69 HDR LYS 69 11.184 1.198 8.411 578 1HE LYS 69 HES LYS 69 11.355 3.821 7.813 579 2HE LYS 69 HER LYS 69 10.062 3.835 9.048 580 1HZ LYS 69 HZC LYS 69 12.337 2.215 9.682 581 2HZ LYS 69 HZA LYS 69 12.654 3.815 9.597 582 3HZ LYS 69 HZB LYS 69 11.505 3.264 10.617 583 1H MET 1 HN MET 1 -12.219 -5.799 -4.843 584 2H MET 1 HNC MET 1 -13.795 -5.537 -4.502 585 3H MET 1 HNB MET 1 -12.974 -4.477 -5.435 586 HA MET 1 HA MET 1 -12.811 -3.297 -3.612 587 1HB MET 1 HBS MET 1 -13.006 -4.246 -1.365 588 2HB MET 1 HBR MET 1 -14.351 -4.770 -2.419 589 1HG MET 1 HGS MET 1 -13.345 -6.955 -2.723 590 2HG MET 1 HGR MET 1 -11.849 -6.423 -1.919 591 1HE MET 1 HME MET 1 -12.072 -8.488 -0.462 592 2HE MET 1 HME MET 1 -11.531 -7.180 0.621 593 3HE MET 1 HME MET 1 -12.769 -8.339 1.170 594 H GLU 2 HN GLU 2 -10.780 -4.697 -5.253 595 HA GLU 2 HA GLU 2 -8.449 -4.330 -3.427 596 1HB GLU 2 HBR GLU 2 -7.575 -6.409 -4.127 597 2HB GLU 2 HBS GLU 2 -9.121 -6.608 -3.505 598 1HG GLU 2 HGS GLU 2 -10.191 -6.927 -5.566 599 2HG GLU 2 HGR GLU 2 -8.760 -6.459 -6.523 600 H LEU 3 HN LEU 3 -6.411 -4.194 -4.638 601 HA LEU 3 HA LEU 3 -6.760 -2.045 -6.510 602 1HB LEU 3 HBR LEU 3 -4.123 -3.351 -5.911 603 2HB LEU 3 HBS LEU 3 -4.525 -1.622 -6.119 604 HG LEU 3 HG LEU 3 -5.098 -3.346 -3.696 605 1HD1 LEU 3 HMD LEU 3 -3.063 -1.254 -4.407 606 2HD1 LEU 3 HMD LEU 3 -3.634 -1.393 -2.725 607 3HD1 LEU 3 HMD LEU 3 -2.861 -2.786 -3.522 608 1HD2 LEU 3 HMD LEU 3 -6.884 -1.727 -4.172 609 2HD2 LEU 3 HMD LEU 3 -5.957 -1.267 -2.722 610 3HD2 LEU 3 HMD LEU 3 -5.676 -0.420 -4.265 611 HA PRO 4 HA PRO 4 -6.166 -4.149 -10.378 612 1HB PRO 4 HBR PRO 4 -5.430 -1.887 -11.661 613 2HB PRO 4 HBS PRO 4 -6.940 -2.530 -11.651 614 1HG PRO 4 HGS PRO 4 -6.122 -0.220 -10.460 615 2HG PRO 4 HGR PRO 4 -7.663 -0.859 -10.471 616 1HD PRO 4 HDS PRO 4 -5.800 -0.895 -8.398 617 2HD PRO 4 HDR PRO 4 -7.405 -1.289 -8.336 618 H ILE 5 HN ILE 5 -4.539 -4.865 -11.715 619 HA ILE 5 HA ILE 5 -1.899 -4.560 -10.513 620 HB ILE 5 HB ILE 5 -1.246 -6.328 -12.135 621 1HG1 ILE 5 HG1 ILE 5 -4.133 -6.206 -13.095 622 2HG1 ILE 5 HG1 ILE 5 -2.729 -5.525 -13.966 623 1HG2 ILE 5 HMG ILE 5 -2.975 -6.617 -9.970 624 2HG2 ILE 5 HMG ILE 5 -3.673 -7.638 -11.254 625 3HG2 ILE 5 HMG ILE 5 -1.983 -7.882 -10.741 626 1HD1 ILE 5 HMD ILE 5 -1.990 -8.157 -13.493 627 2HD1 ILE 5 HMD ILE 5 -3.731 -8.264 -13.867 628 3HD1 ILE 5 HMD ILE 5 -2.616 -7.485 -15.022 629 H ALA 6 HN ALA 6 -3.359 -2.393 -12.149 630 HA ALA 6 HA ALA 6 -1.232 -1.758 -14.083 631 1HB ALA 6 HMB ALA 6 -3.923 -1.089 -13.858 632 2HB ALA 6 HMB ALA 6 -3.061 0.395 -13.381 633 3HB ALA 6 HMB ALA 6 -2.728 -0.360 -14.959 634 HA PRO 7 HA PRO 7 -0.480 1.476 -10.574 635 1HB PRO 7 HBR PRO 7 -1.808 0.985 -8.289 636 2HB PRO 7 HBS PRO 7 -2.167 2.186 -9.351 637 1HG PRO 7 HGS PRO 7 -3.530 -0.208 -8.918 638 2HG PRO 7 HGR PRO 7 -4.089 1.190 -9.637 639 1HD PRO 7 HDS PRO 7 -3.420 -1.058 -10.943 640 2HD PRO 7 HDR PRO 7 -3.639 0.424 -11.643 641 H ILE 8 HN ILE 8 -1.310 -1.526 -9.014 642 HA ILE 8 HA ILE 8 1.176 -1.867 -7.658 643 HB ILE 8 HB ILE 8 -0.889 -3.892 -8.647 644 1HG1 ILE 8 HG1 ILE 8 -0.481 -2.439 -6.013 645 2HG1 ILE 8 HG1 ILE 8 -1.872 -2.332 -7.129 646 1HG2 ILE 8 HMG ILE 8 1.230 -5.022 -8.293 647 2HG2 ILE 8 HMG ILE 8 1.364 -4.298 -6.667 648 3HG2 ILE 8 HMG ILE 8 0.060 -5.461 -7.020 649 1HD1 ILE 8 HMD ILE 8 -1.123 -4.898 -5.719 650 2HD1 ILE 8 HMD ILE 8 -2.199 -3.676 -4.990 651 3HD1 ILE 8 HMD ILE 8 -2.659 -4.469 -6.521 652 H GLY 9 HN GLY 9 0.298 -2.000 -10.967 653 1HA GLY 9 HAR GLY 9 2.289 -3.879 -11.819 654 2HA GLY 9 HAS GLY 9 1.337 -2.789 -12.862 655 H ARG 10 HN ARG 10 1.997 -0.343 -12.381 656 HA ARG 10 HA ARG 10 4.741 -0.333 -13.402 657 1HB ARG 10 HBR ARG 10 2.370 0.985 -14.082 658 2HB ARG 10 HBS ARG 10 3.404 2.249 -13.357 659 1HG ARG 10 HGS ARG 10 4.479 2.438 -15.292 660 2HG ARG 10 HGR ARG 10 5.049 0.754 -15.116 661 1HD ARG 10 HDS ARG 10 2.506 0.370 -15.971 662 2HD ARG 10 HDR ARG 10 2.929 1.894 -16.800 663 HE ARG 10 HE ARG 10 3.767 -0.660 -17.584 664 1HH1 ARG 10 HH1 ARG 10 5.054 2.595 -17.161 665 2HH1 ARG 10 HH1 ARG 10 6.424 2.302 -18.180 666 1HH2 ARG 10 HH2 ARG 10 5.637 -1.044 -18.807 667 2HH2 ARG 10 HH2 ARG 10 6.753 0.244 -19.114 668 H ILE 11 HN ILE 11 3.900 -0.421 -10.427 669 HA ILE 11 HA ILE 11 5.772 1.725 -9.557 670 HB ILE 11 HB ILE 11 3.858 -0.036 -7.949 671 1HG1 ILE 11 HG1 ILE 11 3.965 2.935 -8.566 672 2HG1 ILE 11 HG1 ILE 11 2.713 1.752 -9.041 673 1HG2 ILE 11 HMG ILE 11 6.322 1.035 -7.078 674 2HG2 ILE 11 HMG ILE 11 5.031 2.035 -6.360 675 3HG2 ILE 11 HMG ILE 11 5.036 0.269 -6.107 676 1HD1 ILE 11 HMD ILE 11 2.856 1.674 -6.221 677 2HD1 ILE 11 HMD ILE 11 2.879 3.396 -6.684 678 3HD1 ILE 11 HMD ILE 11 1.552 2.340 -7.240 679 H ILE 12 HN ILE 12 5.053 -1.763 -9.500 680 HA ILE 12 HA ILE 12 7.592 -2.482 -8.252 681 HB ILE 12 HB ILE 12 5.679 -4.307 -9.777 682 1HG1 ILE 12 HG1 ILE 12 4.507 -2.854 -8.079 683 2HG1 ILE 12 HG1 ILE 12 4.344 -4.617 -7.844 684 1HG2 ILE 12 HMG ILE 12 7.984 -5.105 -9.046 685 2HG2 ILE 12 HMG ILE 12 7.361 -5.007 -7.378 686 3HG2 ILE 12 HMG ILE 12 6.578 -6.089 -8.560 687 1HD1 ILE 12 HMD ILE 12 6.183 -4.458 -6.132 688 2HD1 ILE 12 HMD ILE 12 6.064 -2.684 -6.272 689 3HD1 ILE 12 HMD ILE 12 4.664 -3.629 -5.699 690 H LYS 13 HN LYS 13 6.213 -2.163 -11.484 691 HA LYS 13 HA LYS 13 8.390 -3.362 -12.954 692 1HB LYS 13 HBR LYS 13 6.096 -1.535 -13.586 693 2HB LYS 13 HBS LYS 13 7.463 -1.643 -14.729 694 1HG LYS 13 HGR LYS 13 7.125 -4.052 -14.956 695 2HG LYS 13 HGS LYS 13 5.814 -4.003 -13.742 696 1HD LYS 13 HDS LYS 13 5.197 -2.092 -15.743 697 2HD LYS 13 HDR LYS 13 5.720 -3.538 -16.561 698 1HE LYS 13 HES LYS 13 4.020 -4.416 -14.498 699 2HE LYS 13 HER LYS 13 3.239 -3.006 -15.268 700 1HZ LYS 13 HZC LYS 13 4.293 -5.327 -16.731 701 2HZ LYS 13 HZA LYS 13 2.721 -5.114 -16.342 702 3HZ LYS 13 HZB LYS 13 3.456 -4.074 -17.362 703 H ASP 14 HN ASP 14 7.561 -0.072 -11.851 704 HA ASP 14 HA ASP 14 9.633 1.269 -12.966 705 1HB ASP 14 HBS ASP 14 7.679 2.221 -11.748 706 2HB ASP 14 HBR ASP 14 8.562 1.908 -10.225 707 H ALA 15 HN ALA 15 9.687 -0.530 -9.929 708 HA ALA 15 HA ALA 15 12.375 -0.221 -9.221 709 1HB ALA 15 HMB ALA 15 10.377 -1.584 -8.178 710 2HB ALA 15 HMB ALA 15 11.104 -2.925 -9.100 711 3HB ALA 15 HMB ALA 15 12.072 -2.052 -7.884 712 H GLY 16 HN GLY 16 10.890 -2.449 -11.573 713 1HA GLY 16 HAR GLY 16 12.398 -2.752 -13.567 714 2HA GLY 16 HAS GLY 16 13.615 -3.357 -12.413 715 H ALA 17 HN ALA 17 10.447 -4.189 -11.483 716 HA ALA 17 HA ALA 17 10.529 -6.952 -12.228 717 1HB ALA 17 HMB ALA 17 8.451 -5.028 -11.247 718 2HB ALA 17 HMB ALA 17 7.951 -6.610 -11.899 719 3HB ALA 17 HMB ALA 17 9.066 -6.529 -10.511 720 H GLU 18 HN GLU 18 10.185 -7.887 -14.097 721 HA GLU 18 HA GLU 18 9.277 -6.165 -16.359 722 1HB GLU 18 HBR GLU 18 11.462 -8.140 -15.885 723 2HB GLU 18 HBS GLU 18 10.719 -8.174 -17.389 724 1HG GLU 18 HGS GLU 18 11.018 -5.555 -17.349 725 2HG GLU 18 HGR GLU 18 12.414 -5.936 -16.303 726 H ARG 19 HN ARG 19 9.520 -9.591 -15.313 727 HA ARG 19 HA ARG 19 6.784 -10.004 -16.375 728 1HB ARG 19 HBR ARG 19 8.783 -11.030 -17.795 729 2HB ARG 19 HBS ARG 19 8.709 -12.288 -16.526 730 1HG ARG 19 HGS ARG 19 7.004 -13.256 -17.568 731 2HG ARG 19 HGR ARG 19 6.045 -11.756 -17.421 732 1HD ARG 19 HDS ARG 19 6.064 -11.848 -19.653 733 2HD ARG 19 HDR ARG 19 7.665 -11.082 -19.454 734 HE ARG 19 HE ARG 19 7.405 -14.035 -19.679 735 1HH1 ARG 19 HH1 ARG 19 8.471 -10.971 -21.060 736 2HH1 ARG 19 HH1 ARG 19 9.646 -11.719 -22.090 737 1HH2 ARG 19 HH2 ARG 19 9.040 -14.964 -20.944 738 2HH2 ARG 19 HH2 ARG 19 9.969 -13.979 -22.025 739 H VAL 20 HN VAL 20 5.928 -9.850 -14.350 740 HA VAL 20 HA VAL 20 6.778 -11.544 -12.142 741 HB VAL 20 HB VAL 20 4.132 -10.151 -12.593 742 1HG1 VAL 20 HMG VAL 20 4.039 -11.856 -10.851 743 2HG1 VAL 20 HMG VAL 20 5.439 -11.117 -10.036 744 3HG1 VAL 20 HMG VAL 20 3.906 -10.221 -10.159 745 1HG2 VAL 20 HMG VAL 20 6.723 -9.121 -11.457 746 2HG2 VAL 20 HMG VAL 20 5.677 -8.407 -12.709 747 3HG2 VAL 20 HMG VAL 20 5.150 -8.419 -11.008 748 H SER 21 HN SER 21 5.215 -13.158 -11.254 749 HA SER 21 HA SER 21 4.041 -14.789 -13.450 750 1HB SER 21 HBS SER 21 5.776 -15.949 -12.152 751 2HB SER 21 HBR SER 21 4.823 -15.691 -10.662 752 HG SER 21 HG SER 21 4.762 -17.676 -12.447 753 H ASP 22 HN ASP 22 2.336 -16.318 -11.945 754 HA ASP 22 HA ASP 22 0.118 -14.596 -11.313 755 1HB ASP 22 HBS ASP 22 0.419 -17.281 -11.861 756 2HB ASP 22 HBR ASP 22 -0.017 -17.241 -10.129 757 H ASP 23 HN ASP 23 -0.939 -14.692 -9.149 758 HA ASP 23 HA ASP 23 -0.991 -14.395 -6.913 759 1HB ASP 23 HBS ASP 23 0.586 -16.584 -7.266 760 2HB ASP 23 HBR ASP 23 1.629 -15.527 -6.271 761 H ALA 24 HN ALA 24 2.451 -13.960 -7.816 762 HA ALA 24 HA ALA 24 2.985 -12.143 -5.817 763 1HB ALA 24 HMB ALA 24 4.339 -13.260 -8.039 764 2HB ALA 24 HMB ALA 24 4.620 -11.501 -8.079 765 3HB ALA 24 HMB ALA 24 5.024 -12.435 -6.616 766 H ARG 25 HN ARG 25 2.062 -11.438 -9.194 767 HA ARG 25 HA ARG 25 2.230 -8.597 -9.011 768 1HB ARG 25 HBR ARG 25 1.897 -10.252 -11.065 769 2HB ARG 25 HBS ARG 25 0.176 -9.871 -10.768 770 1HG ARG 25 HGS ARG 25 0.428 -7.645 -11.344 771 2HG ARG 25 HGR ARG 25 2.180 -7.642 -10.994 772 1HD ARG 25 HDS ARG 25 1.635 -7.513 -13.399 773 2HD ARG 25 HDR ARG 25 2.635 -8.925 -12.954 774 HE ARG 25 HE ARG 25 -0.126 -9.639 -12.931 775 1HH1 ARG 25 HH1 ARG 25 2.304 -8.610 -15.270 776 2HH1 ARG 25 HH1 ARG 25 1.708 -9.657 -16.513 777 1HH2 ARG 25 HH2 ARG 25 -0.796 -11.088 -14.540 778 2HH2 ARG 25 HH2 ARG 25 -0.047 -11.059 -16.102 779 H ILE 26 HN ILE 26 0.045 -10.881 -7.687 780 HA ILE 26 HA ILE 26 -1.985 -8.776 -7.230 781 HB ILE 26 HB ILE 26 -2.113 -11.828 -7.099 782 1HG1 ILE 26 HG1 ILE 26 -1.867 -10.714 -9.342 783 2HG1 ILE 26 HG1 ILE 26 -3.316 -11.740 -9.148 784 1HG2 ILE 26 HMG ILE 26 -3.936 -9.818 -6.033 785 2HG2 ILE 26 HMG ILE 26 -4.719 -10.919 -7.197 786 3HG2 ILE 26 HMG ILE 26 -3.878 -11.580 -5.770 787 1HD1 ILE 26 HMD ILE 26 -3.389 -8.740 -8.781 788 2HD1 ILE 26 HMD ILE 26 -3.623 -9.527 -10.365 789 3HD1 ILE 26 HMD ILE 26 -4.749 -9.868 -9.025 790 H THR 27 HN THR 27 0.475 -10.556 -5.647 791 HA THR 27 HA THR 27 -0.733 -10.798 -3.090 792 HB THR 27 HB THR 27 2.252 -10.812 -3.812 793 HG1 THR 27 HG1 THR 27 1.440 -12.088 -4.892 794 1HG2 THR 27 HMG THR 27 1.299 -10.714 -1.288 795 2HG2 THR 27 HMG THR 27 1.238 -12.470 -1.580 796 3HG2 THR 27 HMG THR 27 2.777 -11.590 -1.760 797 H LEU 28 HN LEU 28 1.229 -8.286 -4.595 798 HA LEU 28 HA LEU 28 1.482 -6.582 -2.287 799 1HB LEU 28 HBR LEU 28 1.706 -6.346 -5.267 800 2HB LEU 28 HBS LEU 28 1.589 -4.862 -4.282 801 HG LEU 28 HG LEU 28 3.879 -5.218 -4.698 802 1HD1 LEU 28 HMD LEU 28 3.138 -4.778 -2.282 803 2HD1 LEU 28 HMD LEU 28 3.513 -6.494 -1.983 804 3HD1 LEU 28 HMD LEU 28 4.794 -5.385 -2.537 805 1HD2 LEU 28 HMD LEU 28 3.067 -8.031 -4.411 806 2HD2 LEU 28 HMD LEU 28 4.366 -7.298 -5.386 807 3HD2 LEU 28 HMD LEU 28 4.637 -7.646 -3.659 808 H ALA 29 HN ALA 29 -1.121 -7.570 -4.299 809 HA ALA 29 HA ALA 29 -2.831 -5.249 -3.705 810 1HB ALA 29 HMB ALA 29 -2.807 -6.996 -5.765 811 2HB ALA 29 HMB ALA 29 -4.009 -7.773 -4.703 812 3HB ALA 29 HMB ALA 29 -4.247 -6.089 -5.234 813 H LYS 30 HN LYS 30 -1.824 -8.204 -2.281 814 HA LYS 30 HA LYS 30 -4.044 -8.186 -0.337 815 1HB LYS 30 HBR LYS 30 -1.554 -9.917 -0.370 816 2HB LYS 30 HBS LYS 30 -3.037 -10.146 0.600 817 1HG LYS 30 HGR LYS 30 -4.279 -10.888 -1.232 818 2HG LYS 30 HGS LYS 30 -3.176 -10.129 -2.416 819 1HD LYS 30 HDS LYS 30 -2.034 -11.982 -2.646 820 2HD LYS 30 HDR LYS 30 -1.662 -11.987 -0.943 821 1HE LYS 30 HES LYS 30 -4.252 -13.084 -2.011 822 2HE LYS 30 HER LYS 30 -2.760 -14.052 -1.840 823 1HZ LYS 30 HZB LYS 30 -2.821 -13.173 0.532 824 2HZ LYS 30 HZC LYS 30 -4.393 -12.836 0.249 825 3HZ LYS 30 HZA LYS 30 -3.853 -14.373 0.128 826 H ILE 31 HN ILE 31 -0.727 -7.151 -0.724 827 HA ILE 31 HA ILE 31 -0.410 -6.447 2.119 828 HB ILE 31 HB ILE 31 1.326 -6.006 -0.358 829 1HG1 ILE 31 HG1 ILE 31 2.679 -7.478 1.641 830 2HG1 ILE 31 HG1 ILE 31 1.016 -8.126 1.596 831 1HG2 ILE 31 HMG ILE 31 1.890 -5.179 2.498 832 2HG2 ILE 31 HMG ILE 31 3.093 -5.221 1.182 833 3HG2 ILE 31 HMG ILE 31 1.699 -4.113 1.080 834 1HD1 ILE 31 HMD ILE 31 2.121 -7.750 -1.076 835 2HD1 ILE 31 HMD ILE 31 3.123 -8.833 -0.073 836 3HD1 ILE 31 HMD ILE 31 1.395 -9.197 -0.325 837 H LEU 32 HN LEU 32 0.117 -4.452 -0.782 838 HA LEU 32 HA LEU 32 -0.082 -2.125 0.641 839 1HB LEU 32 HBR LEU 32 -0.058 -2.941 -2.206 840 2HB LEU 32 HBS LEU 32 -0.606 -1.273 -1.880 841 HG LEU 32 HG LEU 32 1.800 -1.753 -0.407 842 1HD1 LEU 32 HMD LEU 32 1.859 -3.473 -2.469 843 2HD1 LEU 32 HMD LEU 32 2.409 -2.001 -3.309 844 3HD1 LEU 32 HMD LEU 32 3.299 -2.602 -1.887 845 1HD2 LEU 32 HMD LEU 32 0.783 0.003 -2.615 846 2HD2 LEU 32 HMD LEU 32 1.335 0.429 -0.975 847 3HD2 LEU 32 HMD LEU 32 2.523 0.008 -2.235 848 H GLU 33 HN GLU 33 -2.679 -4.043 -0.532 849 HA GLU 33 HA GLU 33 -4.661 -1.913 -0.248 850 1HB GLU 33 HBR GLU 33 -4.509 -3.996 -1.829 851 2HB GLU 33 HBS GLU 33 -5.029 -4.860 -0.488 852 1HG GLU 33 HGS GLU 33 -6.575 -2.782 -1.974 853 2HG GLU 33 HGR GLU 33 -7.094 -4.456 -1.638 854 H GLU 34 HN GLU 34 -3.378 -4.613 1.615 855 HA GLU 34 HA GLU 34 -5.290 -4.377 3.818 856 1HB GLU 34 HBR GLU 34 -2.711 -5.779 3.226 857 2HB GLU 34 HBS GLU 34 -3.106 -5.483 4.830 858 1HG GLU 34 HGS GLU 34 -5.489 -6.436 4.126 859 2HG GLU 34 HGR GLU 34 -4.506 -7.390 2.985 860 H MET 35 HN MET 35 -2.362 -2.851 2.682 861 HA MET 35 HA MET 35 -2.183 -1.286 5.209 862 1HB MET 35 HBS MET 35 -0.131 -2.147 3.236 863 2HB MET 35 HBR MET 35 0.008 -0.486 3.880 864 1HG MET 35 HGS MET 35 -0.211 -1.487 6.212 865 2HG MET 35 HGR MET 35 -0.073 -3.088 5.447 866 1HE MET 35 HME MET 35 2.082 -3.362 7.072 867 2HE MET 35 HME MET 35 3.524 -2.318 7.014 868 3HE MET 35 HME MET 35 1.984 -1.677 7.637 869 H GLY 36 HN GLY 36 -4.248 -1.076 3.199 870 1HA GLY 36 HAR GLY 36 -3.965 1.860 2.885 871 2HA GLY 36 HAS GLY 36 -4.460 0.905 1.460 872 H ARG 37 HN ARG 37 -5.997 -1.063 2.778 873 HA ARG 37 HA ARG 37 -8.506 0.221 3.433 874 1HB ARG 37 HBR ARG 37 -7.695 -2.359 2.801 875 2HB ARG 37 HBS ARG 37 -8.097 -2.455 4.539 876 1HG ARG 37 HGS ARG 37 -10.095 -1.013 2.931 877 2HG ARG 37 HGR ARG 37 -9.879 -2.723 2.461 878 1HD ARG 37 HDS ARG 37 -9.927 -3.008 5.113 879 2HD ARG 37 HDR ARG 37 -10.917 -1.529 4.964 880 HE ARG 37 HE ARG 37 -11.831 -4.121 4.483 881 1HH1 ARG 37 HH1 ARG 37 -11.949 -0.918 3.014 882 2HH1 ARG 37 HH1 ARG 37 -13.329 -1.298 2.036 883 1HH2 ARG 37 HH2 ARG 37 -13.568 -4.613 3.113 884 2HH2 ARG 37 HH2 ARG 37 -14.254 -3.384 2.103 885 H ASP 38 HN ASP 38 -5.761 -1.157 5.224 886 HA ASP 38 HA ASP 38 -7.026 -1.166 7.738 887 1HB ASP 38 HBS ASP 38 -5.107 -2.550 7.201 888 2HB ASP 38 HBR ASP 38 -4.067 -1.098 7.149 889 H ILE 39 HN ILE 39 -5.103 1.301 6.102 890 HA ILE 39 HA ILE 39 -4.838 2.998 8.386 891 HB ILE 39 HB ILE 39 -4.708 3.810 5.442 892 1HG1 ILE 39 HG1 ILE 39 -2.315 2.908 7.052 893 2HG1 ILE 39 HG1 ILE 39 -3.357 1.719 6.220 894 1HG2 ILE 39 HMG ILE 39 -3.630 5.012 7.981 895 2HG2 ILE 39 HMG ILE 39 -2.912 5.372 6.388 896 3HG2 ILE 39 HMG ILE 39 -4.622 5.765 6.704 897 1HD1 ILE 39 HMD ILE 39 -2.910 2.834 4.080 898 2HD1 ILE 39 HMD ILE 39 -1.870 4.019 4.915 899 3HD1 ILE 39 HMD ILE 39 -1.404 2.298 4.871 900 H ALA 40 HN ALA 40 -7.305 2.601 5.921 901 HA ALA 40 HA ALA 40 -8.346 5.264 5.973 902 1HB ALA 40 HMB ALA 40 -9.097 2.656 4.812 903 2HB ALA 40 HMB ALA 40 -10.450 3.764 5.152 904 3HB ALA 40 HMB ALA 40 -9.108 4.291 4.106 905 H SER 41 HN SER 41 -9.908 2.258 7.155 906 HA SER 41 HA SER 41 -11.846 3.562 8.675 907 1HB SER 41 HBS SER 41 -11.552 1.050 7.960 908 2HB SER 41 HBR SER 41 -10.847 0.894 9.595 909 HG SER 41 HG SER 41 -13.465 1.591 8.646 910 H GLU 42 HN GLU 42 -8.511 3.197 9.324 911 HA GLU 42 HA GLU 42 -8.744 3.762 12.180 912 1HB GLU 42 HBR GLU 42 -6.585 3.432 10.133 913 2HB GLU 42 HBS GLU 42 -6.242 4.323 11.513 914 1HG GLU 42 HGS GLU 42 -7.603 1.979 12.384 915 2HG GLU 42 HGR GLU 42 -6.226 1.458 11.376 916 H ALA 43 HN ALA 43 -7.536 5.523 9.293 917 HA ALA 43 HA ALA 43 -7.412 8.107 10.494 918 1HB ALA 43 HMB ALA 43 -6.416 7.334 8.290 919 2HB ALA 43 HMB ALA 43 -8.048 7.525 7.599 920 3HB ALA 43 HMB ALA 43 -7.208 8.930 8.302 921 H ILE 44 HN ILE 44 -10.031 6.070 9.632 922 HA ILE 44 HA ILE 44 -11.944 8.267 9.585 923 HB ILE 44 HB ILE 44 -12.200 5.236 9.314 924 1HG1 ILE 44 HG1 ILE 44 -12.655 7.340 7.184 925 2HG1 ILE 44 HG1 ILE 44 -11.027 6.703 7.553 926 1HG2 ILE 44 HMG ILE 44 -14.274 6.204 10.264 927 2HG2 ILE 44 HMG ILE 44 -14.387 7.272 8.840 928 3HG2 ILE 44 HMG ILE 44 -14.488 5.503 8.637 929 1HD1 ILE 44 HMD ILE 44 -11.919 4.402 7.085 930 2HD1 ILE 44 HMD ILE 44 -13.426 5.169 6.520 931 3HD1 ILE 44 HMD ILE 44 -11.889 5.496 5.677 932 H LYS 45 HN LYS 45 -11.557 5.285 11.540 933 HA LYS 45 HA LYS 45 -13.416 6.066 13.518 934 1HB LYS 45 HBR LYS 45 -11.265 3.985 13.330 935 2HB LYS 45 HBS LYS 45 -11.995 4.341 14.922 936 1HG LYS 45 HGR LYS 45 -14.161 4.081 13.129 937 2HG LYS 45 HGS LYS 45 -13.033 2.755 12.726 938 1HD LYS 45 HDS LYS 45 -13.597 3.212 15.600 939 2HD LYS 45 HDR LYS 45 -14.922 2.633 14.628 940 1HE LYS 45 HES LYS 45 -14.105 0.579 14.495 941 2HE LYS 45 HER LYS 45 -12.488 1.187 14.043 942 1HZ LYS 45 HZC LYS 45 -13.550 1.057 16.781 943 2HZ LYS 45 HZA LYS 45 -12.465 0.021 16.136 944 3HZ LYS 45 HZB LYS 45 -12.065 1.588 16.358 945 H LEU 46 HN LEU 46 -10.047 6.815 13.059 946 HA LEU 46 HA LEU 46 -9.417 7.809 15.661 947 1HB LEU 46 HBR LEU 46 -8.461 8.337 12.847 948 2HB LEU 46 HBS LEU 46 -7.808 9.230 14.250 949 HG LEU 46 HG LEU 46 -7.777 6.241 14.303 950 1HD1 LEU 46 HMD LEU 46 -6.843 7.350 12.060 951 2HD1 LEU 46 HMD LEU 46 -5.443 7.670 13.114 952 3HD1 LEU 46 HMD LEU 46 -6.012 6.000 12.873 953 1HD2 LEU 46 HMD LEU 46 -6.623 8.549 15.669 954 2HD2 LEU 46 HMD LEU 46 -6.770 6.855 16.204 955 3HD2 LEU 46 HMD LEU 46 -5.389 7.354 15.193 956 H ALA 47 HN ALA 47 -10.734 9.387 12.732 957 HA ALA 47 HA ALA 47 -11.373 11.888 13.934 958 1HB ALA 47 HMB ALA 47 -11.759 10.562 11.433 959 2HB ALA 47 HMB ALA 47 -13.321 11.226 11.978 960 3HB ALA 47 HMB ALA 47 -11.901 12.294 11.830 961 H ARG 48 HN ARG 48 -13.487 9.077 13.219 962 HA ARG 48 HA ARG 48 -15.785 10.199 14.339 963 1HB ARG 48 HBR ARG 48 -15.794 8.284 12.801 964 2HB ARG 48 HBS ARG 48 -15.103 7.251 14.085 965 1HG ARG 48 HGS ARG 48 -17.147 6.777 14.813 966 2HG ARG 48 HGR ARG 48 -17.452 8.510 15.120 967 1HD ARG 48 HDS ARG 48 -17.736 8.398 12.432 968 2HD ARG 48 HDR ARG 48 -18.308 6.773 12.905 969 HE ARG 48 HE ARG 48 -19.729 9.207 13.222 970 1HH1 ARG 48 HH1 ARG 48 -19.157 6.086 14.758 971 2HH1 ARG 48 HH1 ARG 48 -20.559 6.203 15.768 972 1HH2 ARG 48 HH2 ARG 48 -21.482 9.382 14.650 973 2HH2 ARG 48 HH2 ARG 48 -21.876 8.067 15.706 974 H HIS 49 HN HIS 49 -13.067 8.723 15.873 975 HA HIS 49 HA HIS 49 -14.230 8.153 18.442 976 1HB HIS 49 HBS HIS 49 -11.927 7.392 17.762 977 2HB HIS 49 HBR HIS 49 -11.384 9.090 17.892 978 HD1 HIS 49 HD1 HIS 49 -12.281 6.093 19.998 979 HD2 HIS 49 HD2 HIS 49 -11.335 10.116 20.515 980 HE1 HIS 49 HE1 HIS 49 -11.943 6.428 22.459 981 HE2 HIS 49 HE2 HIS 49 -11.392 8.866 22.780 982 H ALA 50 HN ALA 50 -12.731 11.019 16.944 983 HA ALA 50 HA ALA 50 -13.291 12.821 19.141 984 1HB ALA 50 HMB ALA 50 -11.967 12.922 16.650 985 2HB ALA 50 HMB ALA 50 -13.294 14.109 16.574 986 3HB ALA 50 HMB ALA 50 -12.095 14.197 17.890 987 H GLY 51 HN GLY 51 -14.855 12.116 15.995 988 1HA GLY 51 HAR GLY 51 -17.162 11.566 15.859 989 2HA GLY 51 HAS GLY 51 -17.474 12.553 17.312 990 H ARG 52 HN ARG 52 -15.424 13.664 14.681 991 HA ARG 52 HA ARG 52 -17.307 14.659 12.918 992 1HB ARG 52 HBR ARG 52 -17.505 16.188 15.206 993 2HB ARG 52 HBS ARG 52 -16.391 17.142 14.185 994 1HG ARG 52 HGS ARG 52 -17.998 17.639 12.651 995 2HG ARG 52 HGR ARG 52 -18.865 16.096 12.892 996 1HD ARG 52 HDS ARG 52 -20.205 17.921 13.685 997 2HD ARG 52 HDR ARG 52 -19.666 16.917 15.060 998 HE ARG 52 HE ARG 52 -18.762 18.837 15.920 999 1HH1 ARG 52 HH1 ARG 52 -18.912 19.217 12.419 1000 2HH1 ARG 52 HH1 ARG 52 -18.044 20.715 12.434 1001 1HH2 ARG 52 HH2 ARG 52 -17.518 20.732 15.888 1002 2HH2 ARG 52 HH2 ARG 52 -17.257 21.575 14.398 1003 H LYS 53 HN LYS 53 -16.194 16.994 12.006 1004 HA LYS 53 HA LYS 53 -14.557 17.677 10.555 1005 1HB LYS 53 HBR LYS 53 -12.950 16.443 12.790 1006 2HB LYS 53 HBS LYS 53 -12.161 17.096 11.326 1007 1HG LYS 53 HGR LYS 53 -13.322 19.286 11.778 1008 2HG LYS 53 HGS LYS 53 -13.878 18.603 13.333 1009 1HD LYS 53 HDS LYS 53 -11.676 18.388 14.153 1010 2HD LYS 53 HDR LYS 53 -10.981 18.671 12.580 1011 1HE LYS 53 HES LYS 53 -10.619 20.682 13.634 1012 2HE LYS 53 HER LYS 53 -12.109 20.975 12.692 1013 1HZ LYS 53 HZB LYS 53 -12.645 19.954 15.274 1014 2HZ LYS 53 HZC LYS 53 -11.800 21.351 15.351 1015 3HZ LYS 53 HZA LYS 53 -13.222 21.299 14.548 1016 H THR 54 HN THR 54 -12.830 16.974 9.075 1017 HA THR 54 HA THR 54 -13.762 14.469 7.908 1018 HB THR 54 HB THR 54 -13.544 16.650 6.594 1019 HG1 THR 54 HG1 THR 54 -12.914 15.708 4.952 1020 1HG2 THR 54 HMG THR 54 -11.100 16.995 7.578 1021 2HG2 THR 54 HMG THR 54 -10.659 16.057 6.127 1022 3HG2 THR 54 HMG THR 54 -11.562 17.584 5.960 1023 H ILE 55 HN ILE 55 -11.694 13.633 6.387 1024 HA ILE 55 HA ILE 55 -9.692 12.677 8.360 1025 HB ILE 55 HB ILE 55 -10.179 11.619 5.540 1026 1HG1 ILE 55 HG1 ILE 55 -12.288 11.420 6.595 1027 2HG1 ILE 55 HG1 ILE 55 -11.530 9.804 6.666 1028 1HG2 ILE 55 HMG ILE 55 -8.170 11.074 7.378 1029 2HG2 ILE 55 HMG ILE 55 -9.302 9.705 7.538 1030 3HG2 ILE 55 HMG ILE 55 -8.610 10.109 5.944 1031 1HD1 ILE 55 HMD ILE 55 -10.748 10.826 9.056 1032 2HD1 ILE 55 HMD ILE 55 -12.318 11.646 8.841 1033 3HD1 ILE 55 HMD ILE 55 -12.230 9.865 8.806 1034 H LYS 56 HN LYS 56 -7.539 12.938 8.054 1035 HA LYS 56 HA LYS 56 -6.519 14.671 5.901 1036 1HB LYS 56 HBR LYS 56 -7.794 16.073 7.646 1037 2HB LYS 56 HBS LYS 56 -6.459 15.657 8.757 1038 1HG LYS 56 HGR LYS 56 -5.473 16.634 6.183 1039 2HG LYS 56 HGS LYS 56 -6.555 17.813 6.978 1040 1HD LYS 56 HDS LYS 56 -5.129 18.256 8.629 1041 2HD LYS 56 HDR LYS 56 -4.645 16.592 8.799 1042 1HE LYS 56 HES LYS 56 -3.302 16.888 6.655 1043 2HE LYS 56 HER LYS 56 -3.590 18.635 6.882 1044 1HZ LYS 56 HZC LYS 56 -2.604 18.383 9.087 1045 2HZ LYS 56 HZA LYS 56 -2.238 16.825 8.760 1046 3HZ LYS 56 HZB LYS 56 -1.550 18.025 7.892 1047 H ALA 57 HN ALA 57 -4.235 15.359 6.468 1048 HA ALA 57 HA ALA 57 -2.762 13.045 6.563 1049 1HB ALA 57 HMB ALA 57 -2.076 15.217 5.577 1050 2HB ALA 57 HMB ALA 57 -1.711 15.809 7.217 1051 3HB ALA 57 HMB ALA 57 -0.802 14.432 6.546 1052 H GLU 58 HN GLU 58 -3.684 15.129 9.222 1053 HA GLU 58 HA GLU 58 -1.829 13.822 11.128 1054 1HB GLU 58 HBR GLU 58 -2.692 15.424 12.670 1055 2HB GLU 58 HBS GLU 58 -2.135 16.133 11.253 1056 1HG GLU 58 HGS GLU 58 -4.072 16.970 10.551 1057 2HG GLU 58 HGR GLU 58 -5.062 15.603 11.133 1058 H ASP 59 HN ASP 59 -4.523 12.859 9.596 1059 HA ASP 59 HA ASP 59 -5.033 11.038 11.885 1060 1HB ASP 59 HBS ASP 59 -6.926 12.559 10.278 1061 2HB ASP 59 HBR ASP 59 -7.287 10.810 10.344 1062 H ILE 60 HN ILE 60 -4.277 11.436 8.526 1063 HA ILE 60 HA ILE 60 -4.563 8.684 7.827 1064 HB ILE 60 HB ILE 60 -3.074 11.025 6.554 1065 1HG1 ILE 60 HG1 ILE 60 -5.601 11.027 6.833 1066 2HG1 ILE 60 HG1 ILE 60 -4.963 11.314 5.190 1067 1HG2 ILE 60 HMG ILE 60 -2.354 8.517 5.970 1068 2HG2 ILE 60 HMG ILE 60 -3.757 8.673 4.880 1069 3HG2 ILE 60 HMG ILE 60 -2.405 9.829 4.763 1070 1HD1 ILE 60 HMD ILE 60 -5.451 8.495 5.603 1071 2HD1 ILE 60 HMD ILE 60 -6.911 9.447 5.984 1072 3HD1 ILE 60 HMD ILE 60 -6.137 9.603 4.385 1073 H GLU 61 HN GLU 61 -1.706 10.692 8.614 1074 HA GLU 61 HA GLU 61 0.175 8.499 8.867 1075 1HB GLU 61 HBR GLU 61 -0.040 11.310 9.952 1076 2HB GLU 61 HBS GLU 61 1.165 10.248 10.440 1077 1HG GLU 61 HGS GLU 61 1.809 9.842 8.043 1078 2HG GLU 61 HGR GLU 61 0.830 11.263 7.589 1079 H LEU 62 HN LEU 62 -1.981 10.305 11.082 1080 HA LEU 62 HA LEU 62 -1.448 8.906 13.406 1081 1HB LEU 62 HBR LEU 62 -2.989 10.965 12.690 1082 2HB LEU 62 HBS LEU 62 -4.262 9.722 12.851 1083 HG LEU 62 HG LEU 62 -2.927 9.394 15.192 1084 1HD1 LEU 62 HMD LEU 62 -2.047 11.909 14.151 1085 2HD1 LEU 62 HMD LEU 62 -3.125 12.217 15.536 1086 3HD1 LEU 62 HMD LEU 62 -1.697 11.168 15.733 1087 1HD2 LEU 62 HMD LEU 62 -5.341 10.759 14.193 1088 2HD2 LEU 62 HMD LEU 62 -5.149 9.569 15.506 1089 3HD2 LEU 62 HMD LEU 62 -4.809 11.292 15.809 1090 H ALA 63 HN ALA 63 -3.356 7.921 10.641 1091 HA ALA 63 HA ALA 63 -4.448 5.543 12.000 1092 1HB ALA 63 HMB ALA 63 -5.708 6.838 10.248 1093 2HB ALA 63 HMB ALA 63 -4.518 6.248 9.060 1094 3HB ALA 63 HMB ALA 63 -5.542 5.090 9.945 1095 H VAL 64 HN VAL 64 -1.848 6.569 9.859 1096 HA VAL 64 HA VAL 64 -0.984 3.925 9.089 1097 HB VAL 64 HB VAL 64 0.158 6.704 8.976 1098 1HG1 VAL 64 HMG VAL 64 1.804 4.414 9.114 1099 2HG1 VAL 64 HMG VAL 64 1.761 4.905 7.405 1100 3HG1 VAL 64 HMG VAL 64 2.255 6.073 8.654 1101 1HG2 VAL 64 HMG VAL 64 -1.364 4.989 7.228 1102 2HG2 VAL 64 HMG VAL 64 -0.973 6.721 7.091 1103 3HG2 VAL 64 HMG VAL 64 0.158 5.500 6.456 1104 H ARG 65 HN ARG 65 0.737 6.294 11.147 1105 HA ARG 65 HA ARG 65 2.624 4.387 11.958 1106 1HB ARG 65 HBR ARG 65 2.998 6.102 13.896 1107 2HB ARG 65 HBS ARG 65 3.390 6.526 12.204 1108 1HG ARG 65 HGS ARG 65 1.606 7.997 12.018 1109 2HG ARG 65 HGR ARG 65 0.698 7.228 13.351 1110 1HD ARG 65 HDS ARG 65 1.762 8.400 14.935 1111 2HD ARG 65 HDR ARG 65 3.318 8.381 14.059 1112 HE ARG 65 HE ARG 65 1.446 10.051 12.699 1113 1HH1 ARG 65 HH1 ARG 65 3.170 9.984 15.773 1114 2HH1 ARG 65 HH1 ARG 65 3.425 11.697 15.791 1115 1HH2 ARG 65 HH2 ARG 65 1.909 12.269 12.695 1116 2HH2 ARG 65 HH2 ARG 65 2.711 12.991 14.051 1117 H ARG 66 HN ARG 66 -0.571 4.940 13.100 1118 HA ARG 66 HA ARG 66 -0.474 3.786 15.659 1119 1HB ARG 66 HBR ARG 66 -2.485 4.815 14.742 1120 2HB ARG 66 HBS ARG 66 -2.625 3.504 13.535 1121 1HG ARG 66 HGS ARG 66 -4.194 3.226 15.418 1122 2HG ARG 66 HGR ARG 66 -3.026 1.879 15.301 1123 1HD ARG 66 HDS ARG 66 -3.287 2.508 17.592 1124 2HD ARG 66 HDR ARG 66 -1.656 2.970 17.032 1125 HE ARG 66 HE ARG 66 -3.381 5.187 16.701 1126 1HH1 ARG 66 HH1 ARG 66 -2.242 3.208 19.388 1127 2HH1 ARG 66 HH1 ARG 66 -2.116 4.555 20.469 1128 1HH2 ARG 66 HH2 ARG 66 -3.082 6.940 18.105 1129 2HH2 ARG 66 HH2 ARG 66 -2.594 6.668 19.744 1130 H PHE 67 HN PHE 67 -0.228 2.351 12.466 1131 HA PHE 67 HA PHE 67 -0.580 -0.338 13.448 1132 1HB PHE 67 HBR PHE 67 0.540 0.438 10.727 1133 2HB PHE 67 HBS PHE 67 -0.256 -1.090 11.207 1134 HD1 PHE 67 HD1 PHE 67 -2.550 -0.394 12.572 1135 HD2 PHE 67 HD2 PHE 67 -0.909 1.516 9.134 1136 HE1 PHE 67 HE1 PHE 67 -4.768 0.507 12.039 1137 HE2 PHE 67 HE2 PHE 67 -3.131 2.455 8.590 1138 HZ PHE 67 HZ PHE 67 -5.077 1.873 10.010 1139 H LYS 68 HN LYS 68 2.183 1.493 12.099 1140 HA LYS 68 HA LYS 68 4.017 -0.474 13.393 1141 1HB LYS 68 HBR LYS 68 3.999 0.607 10.569 1142 2HB LYS 68 HBS LYS 68 5.488 -0.010 11.343 1143 1HG LYS 68 HGR LYS 68 4.459 -2.203 11.648 1144 2HG LYS 68 HGS LYS 68 2.918 -1.599 10.974 1145 1HD LYS 68 HDS LYS 68 3.979 -2.838 9.275 1146 2HD LYS 68 HDR LYS 68 4.011 -1.148 8.853 1147 1HE LYS 68 HES LYS 68 6.199 -1.182 8.603 1148 2HE LYS 68 HER LYS 68 6.389 -1.726 10.294 1149 1HZ LYS 68 HZA LYS 68 5.558 -3.756 8.457 1150 2HZ LYS 68 HZB LYS 68 7.054 -3.168 8.170 1151 3HZ LYS 68 HZC LYS 68 6.694 -3.806 9.629 1152 H LYS 69 HN LYS 69 5.315 0.474 14.762 1153 HA LYS 69 HA LYS 69 6.831 1.919 15.686 1154 1HB LYS 69 HBR LYS 69 7.150 2.112 12.814 1155 2HB LYS 69 HBS LYS 69 7.488 3.683 13.596 1156 1HG LYS 69 HGR LYS 69 9.582 2.702 13.644 1157 2HG LYS 69 HGS LYS 69 8.937 2.212 15.237 1158 1HD LYS 69 HDS LYS 69 8.090 0.117 13.899 1159 2HD LYS 69 HDR LYS 69 9.321 0.593 12.761 1160 1HE LYS 69 HES LYS 69 10.114 0.429 15.621 1161 2HE LYS 69 HER LYS 69 9.816 -1.084 14.721 1162 1HZ LYS 69 HZC LYS 69 11.370 0.700 13.211 1163 2HZ LYS 69 HZA LYS 69 12.075 0.444 14.661 1164 3HZ LYS 69 HZB LYS 69 11.722 -0.821 13.691 No H/Q in entry = 1164 No H/Q in entry = 1164
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