NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
15230 | 1xs8 | 6359 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 1HT MET 1 3.136 -23.454 12.827 2 2H MET 1 2HT MET 1 2.490 -23.603 14.379 3 3H MET 1 3HT MET 1 2.438 -22.114 13.584 4 HA MET 1 HA MET 1 1.044 -24.559 12.696 5 1HB MET 1 2HB MET 1 -0.022 -22.074 14.056 6 2HB MET 1 1HB MET 1 -1.026 -23.323 13.333 7 1HG MET 1 2HG MET 1 -0.045 -24.954 14.924 8 2HG MET 1 1HG MET 1 0.820 -23.623 15.691 9 1HE MET 1 1HE MET 1 -3.769 -24.130 15.667 10 2HE MET 1 2HE MET 1 -2.630 -25.285 14.977 11 3HE MET 1 3HE MET 1 -2.863 -23.713 14.212 12 H SER 2 H SER 2 1.459 -24.406 10.551 13 HA SER 2 HA SER 2 1.310 -21.889 9.165 14 1HB SER 2 2HB SER 2 1.608 -24.729 8.169 15 2HB SER 2 1HB SER 2 1.685 -23.297 7.140 16 HG SER 2 HG SER 2 3.586 -22.767 7.956 17 H ARG 3 H ARG 3 -0.648 -21.003 9.036 18 HA ARG 3 HA ARG 3 -3.017 -22.597 8.630 19 1HB ARG 3 2HB ARG 3 -3.104 -20.594 10.051 20 2HB ARG 3 1HB ARG 3 -2.645 -19.593 8.680 21 1HG ARG 3 2HG ARG 3 -5.034 -19.451 9.141 22 2HG ARG 3 1HG ARG 3 -4.729 -20.156 7.552 23 1HD ARG 3 2HD ARG 3 -5.113 -22.382 8.446 24 2HD ARG 3 1HD ARG 3 -5.337 -21.715 10.062 25 HE ARG 3 HE ARG 3 -7.204 -20.423 8.566 26 1HH1 ARG 3 1HH1 ARG 3 -6.438 -23.797 9.093 27 2HH1 ARG 3 2HH1 ARG 3 -8.074 -24.331 8.902 28 1HH2 ARG 3 1HH2 ARG 3 -9.357 -21.114 8.311 29 2HH2 ARG 3 2HH2 ARG 3 -9.742 -22.800 8.455 30 H THR 4 H THR 4 -3.761 -23.205 6.730 31 HA THR 4 HA THR 4 -2.471 -22.270 4.323 32 HB THR 4 HB THR 4 -4.078 -24.017 3.292 33 HG1 THR 4 1HG THR 4 -4.476 -25.609 5.186 34 1HG2 THR 4 1HG2 THR 4 -1.676 -24.383 3.597 35 2HG2 THR 4 2HG2 THR 4 -2.587 -25.852 3.953 36 3HG2 THR 4 3HG2 THR 4 -1.957 -24.864 5.271 37 H ILE 5 H ILE 5 -3.230 -20.765 3.030 38 HA ILE 5 HA ILE 5 -6.137 -20.403 2.814 39 HB ILE 5 HB ILE 5 -5.694 -17.938 2.395 40 1HG1 ILE 5 2HG1 ILE 5 -3.634 -17.135 3.784 41 2HG1 ILE 5 1HG1 ILE 5 -3.006 -18.750 3.480 42 1HG2 ILE 5 1HG2 ILE 5 -5.707 -17.372 4.780 43 2HG2 ILE 5 2HG2 ILE 5 -5.217 -19.022 5.164 44 3HG2 ILE 5 3HG2 ILE 5 -6.781 -18.719 4.406 45 1HD1 ILE 5 1HD1 ILE 5 -2.124 -17.181 1.875 46 2HD1 ILE 5 2HD1 ILE 5 -3.754 -16.703 1.406 47 3HD1 ILE 5 3HD1 ILE 5 -3.183 -18.335 1.064 48 H PHE 6 H PHE 6 -6.512 -18.917 0.743 49 HA PHE 6 HA PHE 6 -4.781 -20.019 -1.371 50 1HB PHE 6 2HB PHE 6 -7.687 -19.178 -1.534 51 2HB PHE 6 1HB PHE 6 -6.716 -19.722 -2.900 52 HD1 PHE 6 1HD PHE 6 -5.661 -22.056 -2.716 53 HD2 PHE 6 2HD PHE 6 -8.867 -20.714 -0.266 54 HE1 PHE 6 1HE PHE 6 -6.241 -24.391 -2.199 55 HE2 PHE 6 2HE PHE 6 -9.454 -23.041 0.255 56 HZ PHE 6 HZ PHE 6 -8.140 -24.885 -0.713 57 H CYS 7 H CYS 7 -3.328 -18.529 -1.833 58 HA CYS 7 HA CYS 7 -3.876 -15.728 -1.540 59 1HB CYS 7 2HB CYS 7 -1.654 -16.655 -1.025 60 2HB CYS 7 1HB CYS 7 -1.460 -17.119 -2.712 61 HG CYS 7 HG CYS 7 -2.114 -13.864 -2.166 62 H THR 8 H THR 8 -4.351 -14.262 -3.057 63 HA THR 8 HA THR 8 -5.481 -14.991 -5.505 64 HB THR 8 HB THR 8 -5.136 -12.466 -6.007 65 HG1 THR 8 1HG THR 8 -4.317 -11.261 -4.378 66 1HG2 THR 8 1HG2 THR 8 -6.938 -11.855 -4.459 67 2HG2 THR 8 2HG2 THR 8 -6.668 -13.346 -3.556 68 3HG2 THR 8 3HG2 THR 8 -7.250 -13.416 -5.220 69 H TYR 9 H TYR 9 -2.247 -13.882 -4.708 70 HA TYR 9 HA TYR 9 -1.444 -13.457 -7.417 71 1HB TYR 9 2HB TYR 9 -0.538 -12.223 -5.444 72 2HB TYR 9 1HB TYR 9 0.262 -13.702 -4.932 73 HD1 TYR 9 1HD TYR 9 2.473 -14.016 -5.543 74 HD2 TYR 9 2HD TYR 9 0.027 -11.461 -7.907 75 HE1 TYR 9 1HE TYR 9 4.429 -13.414 -6.904 76 HE2 TYR 9 2HE TYR 9 1.975 -10.859 -9.279 77 HH TYR 9 HH TYR 9 4.964 -12.549 -9.071 78 H LEU 10 H LEU 10 -1.688 -16.227 -5.459 79 HA LEU 10 HA LEU 10 0.311 -17.649 -7.087 80 1HB LEU 10 2HB LEU 10 -0.767 -18.338 -4.355 81 2HB LEU 10 1HB LEU 10 0.365 -19.321 -5.262 82 HG LEU 10 HG LEU 10 0.899 -16.529 -4.241 83 1HD1 LEU 10 1HD1 LEU 10 2.474 -17.644 -2.721 84 2HD1 LEU 10 2HD1 LEU 10 1.906 -19.212 -3.301 85 3HD1 LEU 10 3HD1 LEU 10 0.806 -18.140 -2.435 86 1HD2 LEU 10 1HD2 LEU 10 2.694 -18.485 -5.672 87 2HD2 LEU 10 2HD2 LEU 10 3.216 -16.969 -4.936 88 3HD2 LEU 10 3HD2 LEU 10 2.102 -16.947 -6.303 89 H GLN 11 H GLN 11 -3.003 -17.642 -6.000 90 HA GLN 11 HA GLN 11 -4.853 -18.765 -6.656 91 1HB GLN 11 2HB GLN 11 -3.093 -19.422 -9.013 92 2HB GLN 11 1HB GLN 11 -4.762 -19.961 -8.899 93 1HG GLN 11 2HG GLN 11 -3.805 -17.110 -8.916 94 2HG GLN 11 1HG GLN 11 -4.600 -17.958 -10.241 95 1HE2 GLN 11 1HE2 GLN 11 -5.003 -16.356 -7.215 96 2HE2 GLN 11 2HE2 GLN 11 -6.733 -16.337 -7.207 97 H ARG 12 H ARG 12 -2.687 -20.039 -5.053 98 HA ARG 12 HA ARG 12 -3.830 -22.714 -5.096 99 1HB ARG 12 2HB ARG 12 -1.612 -23.767 -4.822 100 2HB ARG 12 1HB ARG 12 -1.793 -22.998 -6.391 101 1HG ARG 12 2HG ARG 12 -0.305 -21.304 -5.880 102 2HG ARG 12 1HG ARG 12 -0.504 -21.514 -4.140 103 1HD ARG 12 2HD ARG 12 0.814 -23.522 -5.960 104 2HD ARG 12 1HD ARG 12 1.685 -22.314 -5.016 105 HE ARG 12 HE ARG 12 0.162 -23.607 -3.167 106 1HH1 ARG 12 1HH1 ARG 12 2.479 -24.662 -5.569 107 2HH1 ARG 12 2HH1 ARG 12 2.994 -26.040 -4.653 108 1HH2 ARG 12 1HH2 ARG 12 0.826 -25.431 -1.951 109 2HH2 ARG 12 2HH2 ARG 12 2.055 -26.480 -2.594 110 H ASP 13 H ASP 13 -2.812 -23.958 -3.130 111 HA ASP 13 HA ASP 13 -3.436 -22.625 -0.751 112 1HB ASP 13 2HB ASP 13 -2.416 -24.549 0.387 113 2HB ASP 13 1HB ASP 13 -3.437 -25.076 -0.946 114 H ALA 14 H ALA 14 -2.310 -21.419 0.616 115 HA ALA 14 HA ALA 14 0.592 -21.235 0.396 116 1HB ALA 14 1HB ALA 14 0.570 -18.823 0.204 117 2HB ALA 14 2HB ALA 14 -1.192 -18.810 0.207 118 3HB ALA 14 3HB ALA 14 -0.319 -19.532 -1.146 119 H GLU 15 H GLU 15 1.456 -19.798 2.190 120 HA GLU 15 HA GLU 15 0.033 -20.520 4.625 121 1HB GLU 15 2HB GLU 15 2.470 -21.022 4.364 122 2HB GLU 15 1HB GLU 15 2.782 -19.292 4.311 123 1HG GLU 15 2HG GLU 15 1.908 -19.047 6.564 124 2HG GLU 15 1HG GLU 15 1.536 -20.770 6.617 125 H GLY 16 H GLY 16 -1.053 -19.105 5.819 126 1HA GLY 16 2HA GLY 16 -1.655 -16.528 4.893 127 2HA GLY 16 1HA GLY 16 -2.013 -17.139 6.500 128 H GLN 17 H GLN 17 -1.212 -14.487 5.738 129 HA GLN 17 HA GLN 17 1.492 -13.991 6.358 130 1HB GLN 17 2HB GLN 17 -0.799 -12.507 5.599 131 2HB GLN 17 1HB GLN 17 -0.161 -11.756 7.052 132 1HG GLN 17 2HG GLN 17 1.406 -12.331 4.546 133 2HG GLN 17 1HG GLN 17 0.747 -10.764 5.005 134 1HE2 GLN 17 1HE2 GLN 17 1.718 -9.594 6.629 135 2HE2 GLN 17 2HE2 GLN 17 3.281 -9.986 7.254 136 H ASP 18 H ASP 18 2.018 -12.450 8.300 137 HA ASP 18 HA ASP 18 1.721 -14.112 10.590 138 1HB ASP 18 2HB ASP 18 3.021 -11.405 10.272 139 2HB ASP 18 1HB ASP 18 3.082 -12.358 11.751 140 H PHE 19 H PHE 19 1.395 -10.618 10.860 141 HA PHE 19 HA PHE 19 -1.308 -10.690 11.777 142 1HB PHE 19 2HB PHE 19 -0.775 -9.988 14.123 143 2HB PHE 19 1HB PHE 19 -0.374 -11.662 13.767 144 HD1 PHE 19 1HD PHE 19 1.002 -8.303 14.374 145 HD2 PHE 19 2HD PHE 19 1.884 -12.434 13.855 146 HE1 PHE 19 1HE PHE 19 3.290 -7.914 15.192 147 HE2 PHE 19 2HE PHE 19 4.173 -12.053 14.667 148 HZ PHE 19 HZ PHE 19 4.881 -9.792 15.338 149 H GLN 20 H GLN 20 -1.538 -8.479 13.229 150 HA GLN 20 HA GLN 20 -0.998 -6.431 11.313 151 1HB GLN 20 2HB GLN 20 -2.145 -6.183 14.099 152 2HB GLN 20 1HB GLN 20 -2.188 -4.946 12.849 153 1HG GLN 20 2HG GLN 20 -3.598 -7.600 12.842 154 2HG GLN 20 1HG GLN 20 -4.320 -5.995 12.940 155 1HE2 GLN 20 1HE2 GLN 20 -4.693 -8.191 11.028 156 2HE2 GLN 20 2HE2 GLN 20 -4.379 -7.509 9.472 157 H LEU 21 H LEU 21 1.084 -5.961 11.119 158 HA LEU 21 HA LEU 21 2.617 -5.319 13.531 159 1HB LEU 21 2HB LEU 21 4.508 -5.320 11.653 160 2HB LEU 21 1HB LEU 21 3.993 -6.777 12.480 161 HG LEU 21 HG LEU 21 2.468 -7.257 10.551 162 1HD1 LEU 21 1HD1 LEU 21 2.209 -5.022 9.665 163 2HD1 LEU 21 2HD1 LEU 21 2.881 -6.089 8.433 164 3HD1 LEU 21 3HD1 LEU 21 3.928 -4.948 9.278 165 1HD2 LEU 21 1HD2 LEU 21 4.616 -8.353 10.727 166 2HD2 LEU 21 2HD2 LEU 21 5.405 -6.989 9.939 167 3HD2 LEU 21 3HD2 LEU 21 4.261 -7.985 9.042 168 H TYR 22 H TYR 22 0.709 -3.767 11.508 169 HA TYR 22 HA TYR 22 1.593 -1.221 12.207 170 1HB TYR 22 2HB TYR 22 3.387 -1.577 10.566 171 2HB TYR 22 1HB TYR 22 2.192 -1.892 9.315 172 HD1 TYR 22 1HD TYR 22 1.642 -0.144 7.908 173 HD2 TYR 22 2HD TYR 22 3.016 0.746 11.834 174 HE1 TYR 22 1HE TYR 22 1.539 2.259 7.393 175 HE2 TYR 22 2HE TYR 22 2.917 3.152 11.332 176 HH TYR 22 HH TYR 22 2.935 4.638 9.442 177 HA PRO 23 HA PRO 23 -2.197 -0.881 9.345 178 1HB PRO 23 2HB PRO 23 -2.880 -3.422 8.180 179 2HB PRO 23 1HB PRO 23 -2.377 -1.944 7.358 180 1HG PRO 23 2HG PRO 23 -0.882 -4.243 7.448 181 2HG PRO 23 1HG PRO 23 -0.204 -2.624 7.210 182 1HD PRO 23 2HD PRO 23 -0.349 -4.270 9.706 183 2HD PRO 23 1HD PRO 23 0.974 -3.253 9.103 184 H GLY 24 H GLY 24 -4.527 -2.065 9.194 185 1HA GLY 24 2HA GLY 24 -4.938 -3.752 11.549 186 2HA GLY 24 1HA GLY 24 -5.795 -2.218 11.473 187 H GLU 25 H GLU 25 -7.310 -1.883 9.760 188 HA GLU 25 HA GLU 25 -8.905 -4.202 9.303 189 1HB GLU 25 2HB GLU 25 -9.175 -1.428 8.132 190 2HB GLU 25 1HB GLU 25 -10.411 -2.679 8.117 191 1HG GLU 25 2HG GLU 25 -9.301 -1.242 10.513 192 2HG GLU 25 1HG GLU 25 -10.931 -1.128 9.849 193 H LEU 26 H LEU 26 -7.078 -2.025 7.176 194 HA LEU 26 HA LEU 26 -7.446 -3.477 4.798 195 1HB LEU 26 2HB LEU 26 -5.202 -1.667 5.689 196 2HB LEU 26 1HB LEU 26 -5.324 -2.326 4.070 197 HG LEU 26 HG LEU 26 -7.396 -0.541 5.345 198 1HD1 LEU 26 1HD1 LEU 26 -6.536 1.195 3.855 199 2HD1 LEU 26 2HD1 LEU 26 -5.257 0.106 3.319 200 3HD1 LEU 26 3HD1 LEU 26 -5.302 0.659 4.993 201 1HD2 LEU 26 1HD2 LEU 26 -8.347 -1.985 3.662 202 2HD2 LEU 26 2HD2 LEU 26 -7.054 -1.581 2.535 203 3HD2 LEU 26 3HD2 LEU 26 -8.217 -0.347 3.017 204 H GLY 27 H GLY 27 -5.134 -3.744 7.410 205 1HA GLY 27 2HA GLY 27 -3.233 -5.414 6.271 206 2HA GLY 27 1HA GLY 27 -3.637 -5.377 7.982 207 H LYS 28 H LYS 28 -5.993 -6.458 8.304 208 HA LYS 28 HA LYS 28 -5.433 -9.188 7.786 209 1HB LYS 28 2HB LYS 28 -7.710 -9.574 8.836 210 2HB LYS 28 1HB LYS 28 -6.497 -8.780 9.825 211 1HG LYS 28 2HG LYS 28 -7.574 -6.588 9.196 212 2HG LYS 28 1HG LYS 28 -8.886 -7.534 8.482 213 1HD LYS 28 2HD LYS 28 -9.431 -8.513 10.588 214 2HD LYS 28 1HD LYS 28 -7.971 -7.867 11.335 215 1HE LYS 28 2HE LYS 28 -9.814 -6.542 12.063 216 2HE LYS 28 1HE LYS 28 -8.868 -5.576 10.932 217 1HZ LYS 28 1HZ LYS 28 -11.401 -7.002 10.333 218 2HZ LYS 28 2HZ LYS 28 -10.485 -6.143 9.202 219 3HZ LYS 28 3HZ LYS 28 -11.207 -5.327 10.498 220 H ARG 29 H ARG 29 -7.472 -6.841 6.207 221 HA ARG 29 HA ARG 29 -9.051 -8.653 4.717 222 1HB ARG 29 2HB ARG 29 -9.549 -6.219 5.003 223 2HB ARG 29 1HB ARG 29 -8.214 -5.861 3.916 224 1HG ARG 29 2HG ARG 29 -9.321 -7.014 2.107 225 2HG ARG 29 1HG ARG 29 -10.629 -7.503 3.182 226 1HD ARG 29 2HD ARG 29 -11.468 -5.663 1.992 227 2HD ARG 29 1HD ARG 29 -11.031 -5.024 3.574 228 HE ARG 29 HE ARG 29 -8.821 -4.553 2.089 229 1HH1 ARG 29 1HH1 ARG 29 -12.215 -3.848 1.651 230 2HH1 ARG 29 2HH1 ARG 29 -11.935 -2.438 0.685 231 1HH2 ARG 29 1HH2 ARG 29 -8.449 -2.672 0.793 232 2HH2 ARG 29 2HH2 ARG 29 -9.802 -1.771 0.191 233 H ILE 30 H ILE 30 -5.816 -7.431 4.319 234 HA ILE 30 HA ILE 30 -5.590 -8.542 1.635 235 HB ILE 30 HB ILE 30 -3.573 -7.106 3.370 236 1HG1 ILE 30 2HG1 ILE 30 -5.034 -6.191 0.885 237 2HG1 ILE 30 1HG1 ILE 30 -5.492 -5.753 2.528 238 1HG2 ILE 30 1HG2 ILE 30 -2.199 -6.971 1.331 239 2HG2 ILE 30 2HG2 ILE 30 -3.352 -8.013 0.502 240 3HG2 ILE 30 3HG2 ILE 30 -2.431 -8.633 1.873 241 1HD1 ILE 30 1HD1 ILE 30 -3.331 -4.646 2.822 242 2HD1 ILE 30 2HD1 ILE 30 -4.244 -3.969 1.472 243 3HD1 ILE 30 3HD1 ILE 30 -2.899 -5.069 1.166 244 H TYR 31 H TYR 31 -4.432 -9.147 4.917 245 HA TYR 31 HA TYR 31 -2.491 -11.064 4.421 246 1HB TYR 31 2HB TYR 31 -4.368 -10.781 6.763 247 2HB TYR 31 1HB TYR 31 -3.043 -11.933 6.729 248 HD1 TYR 31 1HD TYR 31 -1.425 -9.585 5.049 249 HD2 TYR 31 2HD TYR 31 -3.263 -9.995 8.862 250 HE1 TYR 31 1HE TYR 31 0.096 -7.882 5.959 251 HE2 TYR 31 2HE TYR 31 -1.756 -8.290 9.776 252 HH TYR 31 HH TYR 31 0.447 -7.358 9.294 253 H ASN 32 H ASN 32 -6.000 -11.483 4.501 254 HA ASN 32 HA ASN 32 -5.749 -14.350 4.602 255 1HB ASN 32 2HB ASN 32 -8.153 -14.455 4.464 256 2HB ASN 32 1HB ASN 32 -7.710 -13.176 5.588 257 1HD2 ASN 32 1HD2 ASN 32 -8.165 -11.055 5.078 258 2HD2 ASN 32 2HD2 ASN 32 -9.187 -10.619 3.751 259 H GLU 33 H GLU 33 -5.446 -12.095 2.137 260 HA GLU 33 HA GLU 33 -6.144 -14.085 0.072 261 1HB GLU 33 2HB GLU 33 -5.939 -11.069 -0.119 262 2HB GLU 33 1HB GLU 33 -6.244 -12.135 -1.481 263 1HG GLU 33 2HG GLU 33 -8.046 -12.122 0.906 264 2HG GLU 33 1HG GLU 33 -8.225 -10.938 -0.388 265 H ILE 34 H ILE 34 -3.587 -12.549 1.634 266 HA ILE 34 HA ILE 34 -1.796 -12.988 -0.652 267 HB ILE 34 HB ILE 34 -1.835 -10.696 1.292 268 1HG1 ILE 34 2HG1 ILE 34 -3.220 -10.470 -0.709 269 2HG1 ILE 34 1HG1 ILE 34 -1.858 -9.357 -0.768 270 1HG2 ILE 34 1HG2 ILE 34 0.471 -11.438 1.180 271 2HG2 ILE 34 2HG2 ILE 34 0.275 -9.920 0.304 272 3HG2 ILE 34 3HG2 ILE 34 0.407 -11.436 -0.583 273 1HD1 ILE 34 1HD1 ILE 34 -2.149 -11.945 -2.269 274 2HD1 ILE 34 2HD1 ILE 34 -0.680 -10.972 -2.239 275 3HD1 ILE 34 3HD1 ILE 34 -2.162 -10.311 -2.934 276 H SER 35 H SER 35 -0.253 -14.359 -0.337 277 HA SER 35 HA SER 35 0.407 -15.391 2.262 278 1HB SER 35 2HB SER 35 0.356 -16.876 0.308 279 2HB SER 35 1HB SER 35 1.602 -15.903 -0.476 280 HG SER 35 HG SER 35 2.234 -17.922 0.726 281 H LYS 36 H LYS 36 2.604 -15.443 3.053 282 HA LYS 36 HA LYS 36 3.965 -13.052 3.287 283 1HB LYS 36 2HB LYS 36 5.050 -15.871 3.424 284 2HB LYS 36 1HB LYS 36 5.888 -14.444 4.018 285 1HG LYS 36 2HG LYS 36 4.428 -14.163 5.790 286 2HG LYS 36 1HG LYS 36 3.159 -15.120 5.021 287 1HD LYS 36 2HD LYS 36 4.315 -17.142 5.429 288 2HD LYS 36 1HD LYS 36 5.788 -16.291 5.896 289 1HE LYS 36 2HE LYS 36 3.188 -16.092 7.398 290 2HE LYS 36 1HE LYS 36 4.461 -17.247 7.796 291 1HZ LYS 36 1HZ LYS 36 4.733 -14.288 7.789 292 2HZ LYS 36 2HZ LYS 36 5.971 -15.387 8.135 293 3HZ LYS 36 3HZ LYS 36 4.633 -15.275 9.163 294 H ASP 37 H ASP 37 4.211 -15.537 0.853 295 HA ASP 37 HA ASP 37 6.608 -14.827 -0.399 296 1HB ASP 37 2HB ASP 37 5.231 -16.903 -0.803 297 2HB ASP 37 1HB ASP 37 4.127 -15.916 -1.751 298 H ALA 38 H ALA 38 3.293 -13.991 -1.389 299 HA ALA 38 HA ALA 38 4.060 -12.191 -3.417 300 1HB ALA 38 1HB ALA 38 1.455 -12.449 -1.930 301 2HB ALA 38 2HB ALA 38 1.893 -13.250 -3.438 302 3HB ALA 38 3HB ALA 38 1.693 -11.498 -3.395 303 H TRP 39 H TRP 39 3.292 -11.769 -0.020 304 HA TRP 39 HA TRP 39 3.140 -8.982 0.104 305 1HB TRP 39 2HB TRP 39 2.559 -10.570 1.945 306 2HB TRP 39 1HB TRP 39 4.275 -10.870 2.188 307 HD1 TRP 39 HD TRP 39 5.640 -9.111 3.567 308 HE1 TRP 39 1HE TRP 39 4.975 -7.046 4.948 309 HE3 TRP 39 3HE TRP 39 0.809 -8.587 1.968 310 HZ2 TRP 39 2HZ TRP 39 2.700 -5.409 5.315 311 HZ3 TRP 39 3HZ TRP 39 -0.541 -6.745 2.884 312 HH2 TRP 39 HH TRP 39 0.386 -5.191 4.521 313 H ALA 40 H ALA 40 5.920 -11.167 0.370 314 HA ALA 40 HA ALA 40 7.845 -9.108 0.741 315 1HB ALA 40 1HB ALA 40 9.510 -10.832 0.346 316 2HB ALA 40 2HB ALA 40 8.267 -11.915 -0.282 317 3HB ALA 40 3HB ALA 40 8.245 -11.437 1.415 318 H GLN 41 H GLN 41 6.707 -10.906 -2.086 319 HA GLN 41 HA GLN 41 8.480 -10.013 -4.009 320 1HB GLN 41 2HB GLN 41 5.535 -10.626 -4.233 321 2HB GLN 41 1HB GLN 41 6.552 -10.296 -5.626 322 1HG GLN 41 2HG GLN 41 6.989 -12.543 -3.669 323 2HG GLN 41 1HG GLN 41 6.187 -12.695 -5.233 324 1HE2 GLN 41 1HE2 GLN 41 9.201 -12.294 -3.588 325 2HE2 GLN 41 2HE2 GLN 41 10.222 -12.528 -4.960 326 H TRP 42 H TRP 42 5.366 -8.513 -3.111 327 HA TRP 42 HA TRP 42 5.646 -6.417 -4.990 328 1HB TRP 42 2HB TRP 42 3.439 -7.039 -4.245 329 2HB TRP 42 1HB TRP 42 3.850 -6.652 -2.574 330 HD1 TRP 42 HD TRP 42 2.634 -4.510 -1.917 331 HE1 TRP 42 1HE TRP 42 2.225 -2.216 -3.006 332 HE3 TRP 42 3HE TRP 42 4.741 -5.389 -6.488 333 HZ2 TRP 42 2HZ TRP 42 2.726 -0.952 -5.469 334 HZ3 TRP 42 3HZ TRP 42 4.731 -3.587 -8.158 335 HH2 TRP 42 HH TRP 42 3.743 -1.413 -7.657 336 H GLN 43 H GLN 43 6.217 -6.531 -1.474 337 HA GLN 43 HA GLN 43 6.722 -3.784 -1.218 338 1HB GLN 43 2HB GLN 43 7.588 -6.116 0.476 339 2HB GLN 43 1HB GLN 43 7.949 -4.448 0.900 340 1HG GLN 43 2HG GLN 43 5.459 -4.015 0.734 341 2HG GLN 43 1HG GLN 43 5.264 -5.767 0.683 342 1HE2 GLN 43 1HE2 GLN 43 4.389 -3.804 2.678 343 2HE2 GLN 43 2HE2 GLN 43 5.073 -4.324 4.178 344 H HIS 44 H HIS 44 8.773 -6.394 -2.281 345 HA HIS 44 HA HIS 44 11.219 -4.935 -2.113 346 1HB HIS 44 2HB HIS 44 10.400 -7.330 -3.762 347 2HB HIS 44 1HB HIS 44 12.019 -6.637 -3.823 348 HD1 HIS 44 1HD HIS 44 11.703 -9.514 -2.905 349 HD2 HIS 44 2HD HIS 44 11.662 -6.267 -0.310 350 HE1 HIS 44 1HE HIS 44 12.346 -10.432 -0.662 351 HE2 HIS 44 2HE HIS 44 12.448 -8.433 0.859 352 H LYS 45 H LYS 45 8.860 -5.528 -4.675 353 HA LYS 45 HA LYS 45 10.220 -4.128 -6.700 354 1HB LYS 45 2HB LYS 45 8.465 -5.727 -7.213 355 2HB LYS 45 1HB LYS 45 7.278 -4.733 -6.383 356 1HG LYS 45 2HG LYS 45 7.100 -4.513 -8.801 357 2HG LYS 45 1HG LYS 45 7.540 -2.981 -8.047 358 1HD LYS 45 2HD LYS 45 8.853 -3.267 -10.035 359 2HD LYS 45 1HD LYS 45 9.912 -3.438 -8.637 360 1HE LYS 45 2HE LYS 45 10.462 -5.144 -10.243 361 2HE LYS 45 1HE LYS 45 9.708 -5.901 -8.840 362 1HZ LYS 45 1HZ LYS 45 8.369 -5.292 -11.421 363 2HZ LYS 45 2HZ LYS 45 7.617 -5.982 -10.075 364 3HZ LYS 45 3HZ LYS 45 8.841 -6.822 -10.878 365 H GLN 46 H GLN 46 7.662 -3.083 -4.448 366 HA GLN 46 HA GLN 46 7.391 -0.508 -5.580 367 1HB GLN 46 2HB GLN 46 5.667 -1.511 -4.144 368 2HB GLN 46 1HB GLN 46 6.756 -1.406 -2.766 369 1HG GLN 46 2HG GLN 46 5.103 0.388 -2.763 370 2HG GLN 46 1HG GLN 46 6.748 1.005 -2.898 371 1HE2 GLN 46 1HE2 GLN 46 3.735 0.515 -4.561 372 2HE2 GLN 46 2HE2 GLN 46 4.047 1.592 -5.882 373 H THR 47 H THR 47 9.381 -1.709 -2.888 374 HA THR 47 HA THR 47 10.475 0.724 -2.078 375 HB THR 47 HB THR 47 11.855 -1.971 -2.174 376 HG1 THR 47 1HG THR 47 10.152 -2.233 -0.836 377 1HG2 THR 47 1HG2 THR 47 12.493 0.463 -0.498 378 2HG2 THR 47 2HG2 THR 47 13.439 -0.106 -1.872 379 3HG2 THR 47 3HG2 THR 47 13.308 -1.097 -0.420 380 H MET 48 H MET 48 11.496 -1.485 -4.653 381 HA MET 48 HA MET 48 13.684 -0.010 -5.612 382 1HB MET 48 2HB MET 48 13.298 -2.300 -6.303 383 2HB MET 48 1HB MET 48 11.765 -1.859 -7.042 384 1HG MET 48 2HG MET 48 13.420 -2.181 -8.745 385 2HG MET 48 1HG MET 48 12.974 -0.479 -8.674 386 1HE MET 48 1HE MET 48 15.146 0.084 -10.145 387 2HE MET 48 2HE MET 48 15.541 -1.636 -10.167 388 3HE MET 48 3HE MET 48 16.767 -0.456 -9.707 389 H LEU 49 H LEU 49 10.240 0.089 -6.454 390 HA LEU 49 HA LEU 49 10.428 1.961 -8.537 391 1HB LEU 49 2HB LEU 49 8.140 1.487 -6.632 392 2HB LEU 49 1HB LEU 49 8.034 2.388 -8.130 393 HG LEU 49 HG LEU 49 8.612 -0.562 -7.862 394 1HD1 LEU 49 1HD1 LEU 49 6.443 -0.826 -8.970 395 2HD1 LEU 49 2HD1 LEU 49 6.205 0.920 -8.909 396 3HD1 LEU 49 3HD1 LEU 49 6.294 -0.010 -7.414 397 1HD2 LEU 49 1HD2 LEU 49 8.502 -0.630 -10.291 398 2HD2 LEU 49 2HD2 LEU 49 9.815 0.415 -9.752 399 3HD2 LEU 49 3HD2 LEU 49 8.312 1.124 -10.343 400 H ILE 50 H ILE 50 9.964 2.400 -5.051 401 HA ILE 50 HA ILE 50 9.572 5.185 -5.078 402 HB ILE 50 HB ILE 50 10.809 3.474 -2.912 403 1HG1 ILE 50 2HG1 ILE 50 7.968 4.451 -3.266 404 2HG1 ILE 50 1HG1 ILE 50 8.520 2.811 -3.588 405 1HG2 ILE 50 1HG2 ILE 50 10.186 5.281 -1.380 406 2HG2 ILE 50 2HG2 ILE 50 9.649 6.254 -2.748 407 3HG2 ILE 50 3HG2 ILE 50 11.355 5.827 -2.586 408 1HD1 ILE 50 1HD1 ILE 50 8.565 4.186 -0.915 409 2HD1 ILE 50 2HD1 ILE 50 9.094 2.535 -1.241 410 3HD1 ILE 50 3HD1 ILE 50 7.397 2.976 -1.440 411 H ASN 51 H ASN 51 12.498 3.240 -5.146 412 HA ASN 51 HA ASN 51 14.301 5.399 -4.698 413 1HB ASN 51 2HB ASN 51 14.751 2.706 -5.996 414 2HB ASN 51 1HB ASN 51 16.034 3.843 -5.600 415 1HD2 ASN 51 1HD2 ASN 51 15.663 1.153 -4.665 416 2HD2 ASN 51 2HD2 ASN 51 15.533 1.237 -2.942 417 H GLU 52 H GLU 52 12.697 4.100 -7.491 418 HA GLU 52 HA GLU 52 14.302 5.574 -9.384 419 1HB GLU 52 2HB GLU 52 11.740 4.002 -9.682 420 2HB GLU 52 1HB GLU 52 12.603 4.739 -11.022 421 1HG GLU 52 2HG GLU 52 13.680 2.608 -9.190 422 2HG GLU 52 1HG GLU 52 13.083 2.360 -10.831 423 H LYS 53 H LYS 53 11.032 5.776 -8.057 424 HA LYS 53 HA LYS 53 10.290 8.051 -9.623 425 1HB LYS 53 2HB LYS 53 9.012 6.860 -7.155 426 2HB LYS 53 1HB LYS 53 8.276 8.079 -8.187 427 1HG LYS 53 2HG LYS 53 8.145 6.556 -10.019 428 2HG LYS 53 1HG LYS 53 9.109 5.356 -9.157 429 1HD LYS 53 2HD LYS 53 7.336 5.134 -7.485 430 2HD LYS 53 1HD LYS 53 6.372 6.339 -8.340 431 1HE LYS 53 2HE LYS 53 6.229 4.891 -10.278 432 2HE LYS 53 1HE LYS 53 7.284 3.712 -9.501 433 1HZ LYS 53 1HZ LYS 53 5.609 3.354 -7.810 434 2HZ LYS 53 2HZ LYS 53 4.941 3.088 -9.339 435 3HZ LYS 53 3HZ LYS 53 4.606 4.518 -8.510 436 H LYS 54 H LYS 54 11.774 7.570 -6.521 437 HA LYS 54 HA LYS 54 12.695 8.987 -5.001 438 1HB LYS 54 2HB LYS 54 12.343 11.100 -7.142 439 2HB LYS 54 1HB LYS 54 13.359 11.231 -5.716 440 1HG LYS 54 2HG LYS 54 14.757 9.405 -6.541 441 2HG LYS 54 1HG LYS 54 13.735 9.278 -7.974 442 1HD LYS 54 2HD LYS 54 15.719 10.566 -8.499 443 2HD LYS 54 1HD LYS 54 14.299 11.610 -8.555 444 1HE LYS 54 2HE LYS 54 16.201 12.693 -7.440 445 2HE LYS 54 1HE LYS 54 14.825 12.492 -6.357 446 1HZ LYS 54 1HZ LYS 54 17.214 10.733 -6.449 447 2HZ LYS 54 2HZ LYS 54 15.903 10.564 -5.394 448 3HZ LYS 54 3HZ LYS 54 16.910 11.918 -5.283 449 H LEU 55 H LEU 55 9.851 8.554 -5.018 450 HA LEU 55 HA LEU 55 8.617 11.131 -4.593 451 1HB LEU 55 2HB LEU 55 6.534 9.825 -4.307 452 2HB LEU 55 1HB LEU 55 7.332 9.564 -5.842 453 HG LEU 55 HG LEU 55 8.303 7.431 -4.763 454 1HD1 LEU 55 1HD1 LEU 55 5.996 7.922 -2.880 455 2HD1 LEU 55 2HD1 LEU 55 7.704 7.936 -2.446 456 3HD1 LEU 55 3HD1 LEU 55 6.948 6.441 -2.995 457 1HD2 LEU 55 1HD2 LEU 55 5.357 7.662 -5.348 458 2HD2 LEU 55 2HD2 LEU 55 6.289 6.165 -5.330 459 3HD2 LEU 55 3HD2 LEU 55 6.644 7.410 -6.527 460 H ASN 56 H ASN 56 7.386 11.640 -2.715 461 HA ASN 56 HA ASN 56 8.341 10.328 -0.260 462 1HB ASN 56 2HB ASN 56 8.128 12.422 0.904 463 2HB ASN 56 1HB ASN 56 9.055 12.731 -0.561 464 1HD2 ASN 56 1HD2 ASN 56 8.153 13.974 -2.192 465 2HD2 ASN 56 2HD2 ASN 56 6.707 14.905 -1.961 466 H MET 57 H MET 57 6.778 10.039 1.428 467 HA MET 57 HA MET 57 4.153 9.490 0.305 468 1HB MET 57 2HB MET 57 5.423 8.738 2.936 469 2HB MET 57 1HB MET 57 3.782 8.299 2.484 470 1HG MET 57 2HG MET 57 6.279 7.496 1.005 471 2HG MET 57 1HG MET 57 5.361 6.474 2.111 472 1HE MET 57 1HE MET 57 6.140 5.713 -0.920 473 2HE MET 57 2HE MET 57 4.642 4.937 -1.434 474 3HE MET 57 3HE MET 57 5.283 4.635 0.180 475 H MET 58 H MET 58 5.203 12.250 1.262 476 HA MET 58 HA MET 58 3.159 12.868 3.263 477 1HB MET 58 2HB MET 58 5.301 14.643 2.076 478 2HB MET 58 1HB MET 58 4.224 15.078 3.394 479 1HG MET 58 2HG MET 58 5.213 13.297 4.762 480 2HG MET 58 1HG MET 58 6.321 12.920 3.442 481 1HE MET 58 1HE MET 58 8.356 16.305 3.206 482 2HE MET 58 2HE MET 58 6.844 15.967 2.366 483 3HE MET 58 3HE MET 58 8.089 14.722 2.477 484 H ASN 59 H ASN 59 3.320 12.651 0.001 485 HA ASN 59 HA ASN 59 1.404 14.855 -0.402 486 1HB ASN 59 2HB ASN 59 3.254 13.584 -2.431 487 2HB ASN 59 1HB ASN 59 2.074 14.835 -2.786 488 1HD2 ASN 59 1HD2 ASN 59 2.581 16.312 -0.331 489 2HD2 ASN 59 2HD2 ASN 59 4.120 17.076 -0.534 490 H ALA 60 H ALA 60 -0.565 14.363 -1.128 491 HA ALA 60 HA ALA 60 -1.572 11.769 -1.019 492 1HB ALA 60 1HB ALA 60 -3.609 12.693 -1.991 493 2HB ALA 60 2HB ALA 60 -2.732 14.145 -2.473 494 3HB ALA 60 3HB ALA 60 -2.950 13.775 -0.763 495 H GLU 61 H GLU 61 -0.315 13.622 -3.711 496 HA GLU 61 HA GLU 61 -1.079 12.116 -5.894 497 1HB GLU 61 2HB GLU 61 1.677 13.268 -5.452 498 2HB GLU 61 1HB GLU 61 0.913 12.934 -6.999 499 1HG GLU 61 2HG GLU 61 -0.691 14.689 -6.638 500 2HG GLU 61 1HG GLU 61 -0.067 14.971 -5.012 501 H HIS 62 H HIS 62 1.836 11.703 -3.933 502 HA HIS 62 HA HIS 62 2.563 9.309 -5.358 503 1HB HIS 62 2HB HIS 62 3.875 10.472 -2.899 504 2HB HIS 62 1HB HIS 62 4.577 9.330 -4.040 505 HD1 HIS 62 1HD HIS 62 4.546 10.490 -6.671 506 HD2 HIS 62 2HD HIS 62 4.778 12.960 -3.338 507 HE1 HIS 62 1HE HIS 62 5.452 12.671 -7.510 508 HE2 HIS 62 2HE HIS 62 5.381 14.210 -5.521 509 H ARG 63 H ARG 63 0.927 10.148 -2.446 510 HA ARG 63 HA ARG 63 1.237 7.672 -1.087 511 1HB ARG 63 2HB ARG 63 0.554 9.806 0.005 512 2HB ARG 63 1HB ARG 63 -0.986 9.707 -0.835 513 1HG ARG 63 2HG ARG 63 -1.258 8.960 1.426 514 2HG ARG 63 1HG ARG 63 -1.455 7.587 0.339 515 1HD ARG 63 2HD ARG 63 0.784 6.824 0.824 516 2HD ARG 63 1HD ARG 63 1.097 8.261 1.795 517 HE ARG 63 HE ARG 63 -1.147 6.753 2.734 518 1HH1 ARG 63 1HH1 ARG 63 2.345 6.963 2.799 519 2HH1 ARG 63 2HH1 ARG 63 2.499 6.183 4.340 520 1HH2 ARG 63 1HH2 ARG 63 -0.951 5.730 4.784 521 2HH2 ARG 63 2HH2 ARG 63 0.627 5.509 5.476 522 H LYS 64 H LYS 64 -1.233 8.989 -3.285 523 HA LYS 64 HA LYS 64 -2.851 6.639 -3.112 524 1HB LYS 64 2HB LYS 64 -4.332 7.657 -4.560 525 2HB LYS 64 1HB LYS 64 -3.553 9.048 -3.828 526 1HG LYS 64 2HG LYS 64 -2.106 9.260 -5.802 527 2HG LYS 64 1HG LYS 64 -2.929 7.880 -6.536 528 1HD LYS 64 2HD LYS 64 -5.087 9.206 -6.211 529 2HD LYS 64 1HD LYS 64 -4.049 10.594 -5.881 530 1HE LYS 64 2HE LYS 64 -4.609 10.721 -8.176 531 2HE LYS 64 1HE LYS 64 -2.946 10.141 -8.110 532 1HZ LYS 64 1HZ LYS 64 -3.692 7.922 -8.542 533 2HZ LYS 64 2HZ LYS 64 -4.366 8.934 -9.717 534 3HZ LYS 64 3HZ LYS 64 -5.314 8.380 -8.434 535 H LEU 65 H LEU 65 -0.121 7.616 -5.021 536 HA LEU 65 HA LEU 65 -0.227 5.723 -7.076 537 1HB LEU 65 2HB LEU 65 1.794 7.368 -5.828 538 2HB LEU 65 1HB LEU 65 2.444 5.788 -6.207 539 HG LEU 65 HG LEU 65 2.894 7.338 -8.009 540 1HD1 LEU 65 1HD1 LEU 65 1.937 6.086 -9.871 541 2HD1 LEU 65 2HD1 LEU 65 0.776 5.334 -8.779 542 3HD1 LEU 65 3HD1 LEU 65 2.500 5.004 -8.597 543 1HD2 LEU 65 1HD2 LEU 65 1.109 8.361 -9.295 544 2HD2 LEU 65 2HD2 LEU 65 1.029 8.871 -7.608 545 3HD2 LEU 65 3HD2 LEU 65 -0.094 7.655 -8.218 546 H LEU 66 H LEU 66 1.279 5.447 -3.880 547 HA LEU 66 HA LEU 66 2.041 2.786 -3.962 548 1HB LEU 66 2HB LEU 66 2.715 4.273 -2.174 549 2HB LEU 66 1HB LEU 66 1.056 4.445 -1.637 550 HG LEU 66 HG LEU 66 1.063 2.002 -1.068 551 1HD1 LEU 66 1HD1 LEU 66 2.882 1.299 -2.519 552 2HD1 LEU 66 2HD1 LEU 66 3.218 0.879 -0.838 553 3HD1 LEU 66 3HD1 LEU 66 4.020 2.264 -1.579 554 1HD2 LEU 66 1HD2 LEU 66 2.357 2.288 0.992 555 2HD2 LEU 66 2HD2 LEU 66 1.363 3.703 0.640 556 3HD2 LEU 66 3HD2 LEU 66 3.097 3.740 0.321 557 H GLU 67 H GLU 67 -1.045 4.187 -2.931 558 HA GLU 67 HA GLU 67 -2.273 1.815 -2.102 559 1HB GLU 67 2HB GLU 67 -3.039 4.169 -1.653 560 2HB GLU 67 1HB GLU 67 -3.651 4.216 -3.298 561 1HG GLU 67 2HG GLU 67 -5.183 2.411 -2.815 562 2HG GLU 67 1HG GLU 67 -4.540 2.278 -1.178 563 H GLN 68 H GLN 68 -2.517 3.518 -5.219 564 HA GLN 68 HA GLN 68 -4.209 1.803 -6.580 565 1HB GLN 68 2HB GLN 68 -1.855 3.410 -7.573 566 2HB GLN 68 1HB GLN 68 -2.927 2.529 -8.648 567 1HG GLN 68 2HG GLN 68 -4.776 3.892 -8.062 568 2HG GLN 68 1HG GLN 68 -3.871 4.649 -6.744 569 1HE2 GLN 68 1HE2 GLN 68 -2.232 6.111 -7.232 570 2HE2 GLN 68 2HE2 GLN 68 -2.099 6.870 -8.787 571 H GLU 69 H GLU 69 -0.660 1.742 -6.623 572 HA GLU 69 HA GLU 69 -0.469 -0.535 -8.259 573 1HB GLU 69 2HB GLU 69 1.588 0.557 -6.336 574 2HB GLU 69 1HB GLU 69 1.897 -0.511 -7.698 575 1HG GLU 69 2HG GLU 69 1.132 1.246 -9.232 576 2HG GLU 69 1HG GLU 69 0.868 2.314 -7.856 577 H MET 70 H MET 70 -0.381 -0.150 -4.742 578 HA MET 70 HA MET 70 0.429 -2.775 -4.134 579 1HB MET 70 2HB MET 70 0.495 -0.920 -2.511 580 2HB MET 70 1HB MET 70 -1.261 -0.912 -2.460 581 1HG MET 70 2HG MET 70 -1.284 -3.134 -1.515 582 2HG MET 70 1HG MET 70 0.470 -3.239 -1.653 583 1HE MET 70 1HE MET 70 0.635 -3.934 0.901 584 2HE MET 70 2HE MET 70 -1.119 -3.824 1.059 585 3HE MET 70 3HE MET 70 -0.075 -3.001 2.217 586 H VAL 71 H VAL 71 -2.834 -1.349 -4.265 587 HA VAL 71 HA VAL 71 -4.173 -3.761 -3.620 588 HB VAL 71 HB VAL 71 -5.243 -1.372 -5.140 589 1HG1 VAL 71 1HG1 VAL 71 -6.731 -3.544 -3.667 590 2HG1 VAL 71 2HG1 VAL 71 -6.610 -3.400 -5.421 591 3HG1 VAL 71 3HG1 VAL 71 -7.447 -2.158 -4.489 592 1HG2 VAL 71 1HG2 VAL 71 -5.320 -2.031 -2.197 593 2HG2 VAL 71 2HG2 VAL 71 -6.170 -0.688 -2.963 594 3HG2 VAL 71 3HG2 VAL 71 -4.405 -0.728 -2.955 595 H SER 72 H SER 72 -3.217 -2.285 -6.689 596 HA SER 72 HA SER 72 -4.695 -4.050 -8.333 597 1HB SER 72 2HB SER 72 -3.816 -1.838 -9.070 598 2HB SER 72 1HB SER 72 -2.189 -2.516 -9.053 599 HG SER 72 HG SER 72 -2.583 -3.526 -10.865 600 H PHE 73 H PHE 73 -1.451 -4.211 -6.977 601 HA PHE 73 HA PHE 73 -0.708 -6.463 -8.613 602 1HB PHE 73 2HB PHE 73 0.916 -4.747 -7.796 603 2HB PHE 73 1HB PHE 73 0.683 -5.366 -6.165 604 HD1 PHE 73 1HD PHE 73 2.005 -6.143 -9.508 605 HD2 PHE 73 2HD PHE 73 1.743 -7.374 -5.443 606 HE1 PHE 73 1HE PHE 73 3.782 -7.797 -9.899 607 HE2 PHE 73 2HE PHE 73 3.521 -9.034 -5.826 608 HZ PHE 73 HZ PHE 73 4.543 -9.244 -8.059 609 H LEU 74 H LEU 74 -1.571 -5.956 -5.203 610 HA LEU 74 HA LEU 74 -1.184 -8.752 -4.598 611 1HB LEU 74 2HB LEU 74 -2.193 -6.462 -2.921 612 2HB LEU 74 1HB LEU 74 -1.936 -8.087 -2.320 613 HG LEU 74 HG LEU 74 0.214 -6.280 -3.431 614 1HD1 LEU 74 1HD1 LEU 74 -0.402 -7.113 -0.600 615 2HD1 LEU 74 2HD1 LEU 74 -0.637 -5.504 -1.285 616 3HD1 LEU 74 3HD1 LEU 74 0.991 -6.162 -1.116 617 1HD2 LEU 74 1HD2 LEU 74 1.760 -7.981 -2.569 618 2HD2 LEU 74 2HD2 LEU 74 0.714 -8.628 -3.831 619 3HD2 LEU 74 3HD2 LEU 74 0.387 -9.002 -2.139 620 H PHE 75 H PHE 75 -3.975 -6.530 -4.587 621 HA PHE 75 HA PHE 75 -5.760 -8.761 -4.042 622 1HB PHE 75 2HB PHE 75 -5.984 -6.505 -2.930 623 2HB PHE 75 1HB PHE 75 -6.486 -5.860 -4.488 624 HD1 PHE 75 1HD PHE 75 -8.703 -6.095 -5.237 625 HD2 PHE 75 2HD PHE 75 -7.370 -8.277 -1.837 626 HE1 PHE 75 1HE PHE 75 -11.025 -6.741 -4.744 627 HE2 PHE 75 2HE PHE 75 -9.688 -8.928 -1.337 628 HZ PHE 75 HZ PHE 75 -11.522 -8.159 -2.793 629 H GLU 76 H GLU 76 -4.791 -6.709 -6.647 630 HA GLU 76 HA GLU 76 -4.973 -6.903 -8.890 631 1HB GLU 76 2HB GLU 76 -6.588 -9.406 -8.389 632 2HB GLU 76 1HB GLU 76 -5.911 -8.898 -9.929 633 1HG GLU 76 2HG GLU 76 -3.644 -9.049 -8.894 634 2HG GLU 76 1HG GLU 76 -4.405 -9.755 -7.470 635 H GLY 77 H GLY 77 -8.087 -7.839 -7.416 636 1HA GLY 77 2HA GLY 77 -9.574 -6.592 -9.547 637 2HA GLY 77 1HA GLY 77 -10.240 -7.351 -8.112 638 H LYS 78 H LYS 78 -8.422 -4.465 -9.087 639 HA LYS 78 HA LYS 78 -9.698 -2.942 -6.955 640 1HB LYS 78 2HB LYS 78 -8.214 -1.069 -8.024 641 2HB LYS 78 1HB LYS 78 -7.490 -2.302 -7.008 642 1HG LYS 78 2HG LYS 78 -6.094 -1.944 -8.912 643 2HG LYS 78 1HG LYS 78 -6.829 -3.538 -9.053 644 1HD LYS 78 2HD LYS 78 -8.425 -2.699 -10.661 645 2HD LYS 78 1HD LYS 78 -7.829 -1.054 -10.437 646 1HE LYS 78 2HE LYS 78 -6.963 -2.077 -12.492 647 2HE LYS 78 1HE LYS 78 -5.679 -1.674 -11.358 648 1HZ LYS 78 1HZ LYS 78 -6.845 -4.390 -11.565 649 2HZ LYS 78 2HZ LYS 78 -5.421 -3.932 -10.775 650 3HZ LYS 78 3HZ LYS 78 -5.501 -3.896 -12.462 651 H ASP 79 H ASP 79 -10.433 -0.658 -7.591 652 HA ASP 79 HA ASP 79 -12.081 -0.878 -10.024 653 1HB ASP 79 2HB ASP 79 -13.261 -0.816 -7.777 654 2HB ASP 79 1HB ASP 79 -12.680 0.838 -7.609 655 H VAL 80 H VAL 80 -9.439 0.609 -8.765 656 HA VAL 80 HA VAL 80 -9.923 3.196 -10.039 657 HB VAL 80 HB VAL 80 -7.634 2.317 -8.267 658 1HG1 VAL 80 1HG1 VAL 80 -7.045 4.699 -8.177 659 2HG1 VAL 80 2HG1 VAL 80 -8.316 5.053 -9.347 660 3HG1 VAL 80 3HG1 VAL 80 -6.935 4.062 -9.818 661 1HG2 VAL 80 1HG2 VAL 80 -8.668 3.770 -6.582 662 2HG2 VAL 80 2HG2 VAL 80 -9.738 2.451 -7.055 663 3HG2 VAL 80 3HG2 VAL 80 -10.014 4.075 -7.680 664 H HIS 81 H HIS 81 -8.983 3.798 -11.863 665 HA HIS 81 HA HIS 81 -7.538 2.114 -13.569 666 1HB HIS 81 2HB HIS 81 -8.154 5.013 -13.436 667 2HB HIS 81 1HB HIS 81 -6.790 4.550 -14.439 668 HD1 HIS 81 1HD HIS 81 -8.207 5.471 -16.429 669 HD2 HIS 81 2HD HIS 81 -9.738 2.061 -14.598 670 HE1 HIS 81 1HE HIS 81 -9.914 4.547 -18.033 671 HE2 HIS 81 2HE HIS 81 -10.709 2.400 -16.978 672 H ILE 82 H ILE 82 -5.428 1.520 -13.563 673 HA ILE 82 HA ILE 82 -3.597 2.938 -11.821 674 HB ILE 82 HB ILE 82 -3.014 0.600 -13.648 675 1HG1 ILE 82 2HG1 ILE 82 -4.688 0.008 -11.966 676 2HG1 ILE 82 1HG1 ILE 82 -3.150 -0.765 -11.600 677 1HG2 ILE 82 1HG2 ILE 82 -1.006 0.313 -12.280 678 2HG2 ILE 82 2HG2 ILE 82 -1.438 1.738 -11.336 679 3HG2 ILE 82 3HG2 ILE 82 -1.029 1.905 -13.043 680 1HD1 ILE 82 1HD1 ILE 82 -4.242 0.098 -9.599 681 2HD1 ILE 82 2HD1 ILE 82 -4.204 1.725 -10.281 682 3HD1 ILE 82 3HD1 ILE 82 -2.697 0.893 -9.895 683 H GLU 83 H GLU 83 -3.618 4.919 -12.849 684 HA GLU 83 HA GLU 83 -1.971 5.023 -15.294 685 1HB GLU 83 2HB GLU 83 -4.109 6.964 -14.367 686 2HB GLU 83 1HB GLU 83 -3.079 7.196 -15.774 687 1HG GLU 83 2HG GLU 83 -4.049 5.284 -16.865 688 2HG GLU 83 1HG GLU 83 -4.984 4.890 -15.426 689 H GLY 84 H GLY 84 -1.813 5.211 -12.147 690 1HA GLY 84 2HA GLY 84 -0.239 6.082 -10.719 691 2HA GLY 84 1HA GLY 84 0.477 6.917 -12.091 692 H TYR 85 H TYR 85 -0.406 8.904 -12.754 693 HA TYR 85 HA TYR 85 -1.662 10.349 -10.529 694 1HB TYR 85 2HB TYR 85 -0.018 11.385 -12.851 695 2HB TYR 85 1HB TYR 85 -0.679 12.374 -11.551 696 HD1 TYR 85 1HD TYR 85 1.952 10.062 -12.529 697 HD2 TYR 85 2HD TYR 85 0.228 12.164 -9.259 698 HE1 TYR 85 1HE TYR 85 3.963 9.611 -11.186 699 HE2 TYR 85 2HE TYR 85 2.234 11.723 -7.909 700 HH TYR 85 HH TYR 85 5.131 10.592 -9.211 701 H THR 86 H THR 86 -3.443 11.670 -10.932 702 HA THR 86 HA THR 86 -4.882 10.895 -13.369 703 HB THR 86 HB THR 86 -6.028 11.861 -10.745 704 HG1 THR 86 1HG THR 86 -6.090 9.205 -11.778 705 1HG2 THR 86 1HG2 THR 86 -8.150 10.980 -11.656 706 2HG2 THR 86 2HG2 THR 86 -7.334 10.637 -13.182 707 3HG2 THR 86 3HG2 THR 86 -7.508 12.303 -12.628 708 HA PRO 87 HA PRO 87 -4.373 15.254 -14.325 709 1HB PRO 87 2HB PRO 87 -4.997 15.069 -16.934 710 2HB PRO 87 1HB PRO 87 -3.443 14.513 -16.301 711 1HG PRO 87 2HG PRO 87 -5.868 12.932 -17.039 712 2HG PRO 87 1HG PRO 87 -4.158 12.553 -17.310 713 1HD PRO 87 2HD PRO 87 -5.682 11.504 -15.269 714 2HD PRO 87 1HD PRO 87 -3.913 11.638 -15.232 715 H GLU 88 H GLU 88 -7.162 13.368 -14.231 716 HA GLU 88 HA GLU 88 -8.914 15.561 -15.021 717 1HB GLU 88 2HB GLU 88 -9.383 13.225 -15.796 718 2HB GLU 88 1HB GLU 88 -9.667 12.773 -14.122 719 1HG GLU 88 2HG GLU 88 -11.576 14.169 -13.979 720 2HG GLU 88 1HG GLU 88 -11.218 14.924 -15.529 721 H ASP 89 H ASP 89 -10.190 16.674 -13.621 722 HA ASP 89 HA ASP 89 -9.246 16.880 -10.957 723 1HB ASP 89 2HB ASP 89 -10.867 18.650 -10.689 724 2HB ASP 89 1HB ASP 89 -10.132 18.796 -12.278 725 H LYS 90 H LYS 90 -12.254 15.613 -12.344 726 HA LYS 90 HA LYS 90 -13.232 14.843 -9.731 727 1HB LYS 90 2HB LYS 90 -14.630 15.648 -11.743 728 2HB LYS 90 1HB LYS 90 -14.413 14.027 -12.377 729 1HG LYS 90 2HG LYS 90 -15.599 14.554 -9.668 730 2HG LYS 90 1HG LYS 90 -16.565 14.498 -11.140 731 1HD LYS 90 2HD LYS 90 -15.715 12.204 -11.552 732 2HD LYS 90 1HD LYS 90 -14.877 12.272 -10.000 733 1HE LYS 90 2HE LYS 90 -16.990 11.098 -9.771 734 2HE LYS 90 1HE LYS 90 -17.030 12.613 -8.869 735 1HZ LYS 90 1HZ LYS 90 -18.235 13.617 -10.722 736 2HZ LYS 90 2HZ LYS 90 -19.074 12.298 -10.084 737 3HZ LYS 90 3HZ LYS 90 -18.234 12.138 -11.543 738 H LYS 91 H LYS 91 -12.608 13.058 -8.757 739 HA LYS 91 HA LYS 91 -11.658 10.800 -10.393 740 1HB LYS 91 2HB LYS 91 -10.843 11.492 -7.561 741 2HB LYS 91 1HB LYS 91 -10.162 10.221 -8.567 742 1HG LYS 91 2HG LYS 91 -9.149 11.798 -10.023 743 2HG LYS 91 1HG LYS 91 -10.026 13.138 -9.283 744 1HD LYS 91 2HD LYS 91 -8.829 12.703 -7.164 745 2HD LYS 91 1HD LYS 91 -7.905 11.437 -7.976 746 1HE LYS 91 2HE LYS 91 -6.651 13.534 -7.850 747 2HE LYS 91 1HE LYS 91 -6.983 13.069 -9.515 748 1HZ LYS 91 1HZ LYS 91 -8.735 14.674 -9.629 749 2HZ LYS 91 2HZ LYS 91 -7.342 15.447 -9.067 750 3HZ LYS 91 3HZ LYS 91 -8.576 15.051 -7.986 Start of MODEL 2 1 1H MET 1 1HT MET 1 -0.564 -24.214 14.677 2 2H MET 1 2HT MET 1 0.371 -24.014 13.288 3 3H MET 1 3HT MET 1 -1.315 -23.933 13.190 4 HA MET 1 HA MET 1 -1.333 -21.954 14.557 5 1HB MET 1 2HB MET 1 0.701 -20.848 15.199 6 2HB MET 1 1HB MET 1 0.800 -22.508 15.759 7 1HG MET 1 2HG MET 1 2.095 -21.465 13.250 8 2HG MET 1 1HG MET 1 2.907 -21.654 14.800 9 1HE MET 1 1HE MET 1 2.999 -25.501 15.292 10 2HE MET 1 2HE MET 1 1.831 -24.358 15.951 11 3HE MET 1 3HE MET 1 3.541 -23.933 15.892 12 H SER 2 H SER 2 -0.657 -23.149 11.658 13 HA SER 2 HA SER 2 0.093 -20.619 10.396 14 1HB SER 2 2HB SER 2 -0.190 -23.353 9.128 15 2HB SER 2 1HB SER 2 0.592 -21.932 8.434 16 HG SER 2 HG SER 2 2.097 -22.063 10.216 17 H ARG 3 H ARG 3 -1.122 -19.864 8.537 18 HA ARG 3 HA ARG 3 -3.927 -20.768 8.568 19 1HB ARG 3 2HB ARG 3 -3.704 -18.565 9.659 20 2HB ARG 3 1HB ARG 3 -2.937 -17.930 8.210 21 1HG ARG 3 2HG ARG 3 -4.956 -18.205 6.949 22 2HG ARG 3 1HG ARG 3 -5.734 -19.042 8.294 23 1HD ARG 3 2HD ARG 3 -6.512 -16.761 8.194 24 2HD ARG 3 1HD ARG 3 -5.541 -16.992 9.643 25 HE ARG 3 HE ARG 3 -3.843 -16.030 7.660 26 1HH1 ARG 3 1HH1 ARG 3 -6.669 -14.959 9.403 27 2HH1 ARG 3 2HH1 ARG 3 -6.229 -13.285 9.371 28 1HH2 ARG 3 1HH2 ARG 3 -3.261 -13.796 7.572 29 2HH2 ARG 3 2HH2 ARG 3 -4.308 -12.626 8.319 30 H THR 4 H THR 4 -3.746 -22.077 6.805 31 HA THR 4 HA THR 4 -2.412 -21.183 4.417 32 HB THR 4 HB THR 4 -4.083 -23.659 4.884 33 HG1 THR 4 1HG THR 4 -1.496 -22.951 5.565 34 1HG2 THR 4 1HG2 THR 4 -2.905 -24.548 2.929 35 2HG2 THR 4 2HG2 THR 4 -2.084 -23.001 2.718 36 3HG2 THR 4 3HG2 THR 4 -3.833 -23.107 2.512 37 H ILE 5 H ILE 5 -3.309 -19.923 2.970 38 HA ILE 5 HA ILE 5 -6.218 -20.058 2.558 39 HB ILE 5 HB ILE 5 -6.082 -17.570 2.047 40 1HG1 ILE 5 2HG1 ILE 5 -4.220 -16.439 3.445 41 2HG1 ILE 5 1HG1 ILE 5 -3.387 -17.985 3.342 42 1HG2 ILE 5 1HG2 ILE 5 -7.141 -18.460 4.053 43 2HG2 ILE 5 2HG2 ILE 5 -6.321 -16.936 4.392 44 3HG2 ILE 5 3HG2 ILE 5 -5.583 -18.461 4.883 45 1HD1 ILE 5 1HD1 ILE 5 -2.597 -16.399 1.672 46 2HD1 ILE 5 2HD1 ILE 5 -4.223 -16.288 1.002 47 3HD1 ILE 5 3HD1 ILE 5 -3.342 -17.811 0.921 48 H PHE 6 H PHE 6 -6.793 -18.894 0.413 49 HA PHE 6 HA PHE 6 -4.876 -19.763 -1.626 50 1HB PHE 6 2HB PHE 6 -7.786 -18.966 -1.865 51 2HB PHE 6 1HB PHE 6 -6.765 -19.442 -3.218 52 HD1 PHE 6 1HD PHE 6 -5.894 -21.763 -3.340 53 HD2 PHE 6 2HD PHE 6 -8.770 -20.578 -0.436 54 HE1 PHE 6 1HE PHE 6 -6.453 -24.124 -2.936 55 HE2 PHE 6 2HE PHE 6 -9.336 -22.937 -0.029 56 HZ PHE 6 HZ PHE 6 -8.175 -24.710 -1.279 57 H CYS 7 H CYS 7 -3.424 -18.234 -1.982 58 HA CYS 7 HA CYS 7 -3.955 -15.460 -1.589 59 1HB CYS 7 2HB CYS 7 -1.723 -16.418 -1.205 60 2HB CYS 7 1HB CYS 7 -1.600 -16.825 -2.913 61 HG CYS 7 HG CYS 7 -2.163 -13.581 -2.162 62 H THR 8 H THR 8 -4.348 -13.866 -3.067 63 HA THR 8 HA THR 8 -5.659 -14.550 -5.455 64 HB THR 8 HB THR 8 -5.294 -12.008 -5.929 65 HG1 THR 8 1HG THR 8 -4.066 -11.049 -4.508 66 1HG2 THR 8 1HG2 THR 8 -7.405 -12.962 -5.166 67 2HG2 THR 8 2HG2 THR 8 -7.078 -11.442 -4.331 68 3HG2 THR 8 3HG2 THR 8 -6.813 -12.977 -3.505 69 H TYR 9 H TYR 9 -2.356 -13.421 -4.862 70 HA TYR 9 HA TYR 9 -1.761 -13.008 -7.610 71 1HB TYR 9 2HB TYR 9 -0.558 -11.849 -5.785 72 2HB TYR 9 1HB TYR 9 0.163 -13.382 -5.306 73 HD1 TYR 9 1HD TYR 9 2.160 -14.116 -6.310 74 HD2 TYR 9 2HD TYR 9 -0.063 -10.982 -8.133 75 HE1 TYR 9 1HE TYR 9 4.003 -13.737 -7.892 76 HE2 TYR 9 2HE TYR 9 1.773 -10.593 -9.722 77 HH TYR 9 HH TYR 9 4.282 -12.773 -10.193 78 H LEU 10 H LEU 10 -1.628 -15.792 -5.529 79 HA LEU 10 HA LEU 10 -0.066 -17.258 -7.532 80 1HB LEU 10 2HB LEU 10 -0.775 -17.898 -4.676 81 2HB LEU 10 1HB LEU 10 -0.082 -19.087 -5.758 82 HG LEU 10 HG LEU 10 1.866 -17.454 -6.053 83 1HD1 LEU 10 1HD1 LEU 10 0.684 -16.277 -3.547 84 2HD1 LEU 10 2HD1 LEU 10 0.764 -15.480 -5.118 85 3HD1 LEU 10 3HD1 LEU 10 2.250 -15.878 -4.255 86 1HD2 LEU 10 1HD2 LEU 10 2.953 -18.238 -4.023 87 2HD2 LEU 10 2HD2 LEU 10 2.015 -19.525 -4.783 88 3HD2 LEU 10 3HD2 LEU 10 1.387 -18.701 -3.356 89 H GLN 11 H GLN 11 -3.232 -16.962 -6.214 90 HA GLN 11 HA GLN 11 -5.229 -17.920 -6.665 91 1HB GLN 11 2HB GLN 11 -3.730 -19.012 -9.046 92 2HB GLN 11 1HB GLN 11 -5.442 -19.306 -8.776 93 1HG GLN 11 2HG GLN 11 -4.178 -16.588 -9.092 94 2HG GLN 11 1HG GLN 11 -5.024 -17.475 -10.361 95 1HE2 GLN 11 1HE2 GLN 11 -5.343 -15.562 -7.508 96 2HE2 GLN 11 2HE2 GLN 11 -7.069 -15.417 -7.540 97 H ARG 12 H ARG 12 -2.813 -19.383 -5.348 98 HA ARG 12 HA ARG 12 -4.157 -21.978 -5.066 99 1HB ARG 12 2HB ARG 12 -1.169 -21.558 -5.286 100 2HB ARG 12 1HB ARG 12 -1.979 -23.097 -5.026 101 1HG ARG 12 2HG ARG 12 -2.957 -23.032 -7.202 102 2HG ARG 12 1HG ARG 12 -2.390 -21.382 -7.461 103 1HD ARG 12 2HD ARG 12 -0.073 -22.179 -7.349 104 2HD ARG 12 1HD ARG 12 -0.657 -23.828 -7.133 105 HE ARG 12 HE ARG 12 -1.733 -23.524 -9.385 106 1HH1 ARG 12 1HH1 ARG 12 1.161 -21.780 -8.470 107 2HH1 ARG 12 2HH1 ARG 12 1.669 -21.514 -10.105 108 1HH2 ARG 12 1HH2 ARG 12 -1.035 -23.217 -11.540 109 2HH2 ARG 12 2HH2 ARG 12 0.428 -22.339 -11.849 110 H ASP 13 H ASP 13 -2.738 -23.142 -3.134 111 HA ASP 13 HA ASP 13 -3.445 -21.509 -0.882 112 1HB ASP 13 2HB ASP 13 -2.943 -23.473 0.475 113 2HB ASP 13 1HB ASP 13 -3.975 -23.898 -0.884 114 H ALA 14 H ALA 14 -2.212 -20.492 0.491 115 HA ALA 14 HA ALA 14 0.655 -20.904 0.640 116 1HB ALA 14 1HB ALA 14 0.444 -19.334 -1.228 117 2HB ALA 14 2HB ALA 14 1.197 -18.569 0.170 118 3HB ALA 14 3HB ALA 14 -0.494 -18.241 -0.205 119 H GLU 15 H GLU 15 1.490 -19.017 2.234 120 HA GLU 15 HA GLU 15 -0.057 -19.374 4.637 121 1HB GLU 15 2HB GLU 15 2.437 -19.488 4.594 122 2HB GLU 15 1HB GLU 15 2.472 -17.774 4.203 123 1HG GLU 15 2HG GLU 15 2.902 -18.096 6.547 124 2HG GLU 15 1HG GLU 15 1.352 -17.285 6.327 125 H GLY 16 H GLY 16 -1.397 -17.931 5.538 126 1HA GLY 16 2HA GLY 16 -2.145 -15.656 3.926 127 2HA GLY 16 1HA GLY 16 -2.960 -16.227 5.372 128 H GLN 17 H GLN 17 0.402 -15.254 4.960 129 HA GLN 17 HA GLN 17 1.697 -13.764 6.106 130 1HB GLN 17 2HB GLN 17 -0.182 -12.496 4.469 131 2HB GLN 17 1HB GLN 17 -0.173 -11.559 5.954 132 1HG GLN 17 2HG GLN 17 2.235 -12.209 4.273 133 2HG GLN 17 1HG GLN 17 1.375 -10.674 4.292 134 1HE2 GLN 17 1HE2 GLN 17 0.974 -10.910 7.232 135 2HE2 GLN 17 2HE2 GLN 17 2.500 -10.470 7.918 136 H ASP 18 H ASP 18 1.005 -15.076 8.136 137 HA ASP 18 HA ASP 18 -0.737 -13.847 9.994 138 1HB ASP 18 2HB ASP 18 0.337 -15.318 11.671 139 2HB ASP 18 1HB ASP 18 -0.164 -16.193 10.231 140 H PHE 19 H PHE 19 -0.472 -12.016 11.055 141 HA PHE 19 HA PHE 19 1.856 -11.307 12.455 142 1HB PHE 19 2HB PHE 19 1.887 -10.538 9.699 143 2HB PHE 19 1HB PHE 19 1.725 -9.086 10.682 144 HD1 PHE 19 1HD PHE 19 3.331 -9.205 12.874 145 HD2 PHE 19 2HD PHE 19 4.024 -11.101 9.131 146 HE1 PHE 19 1HE PHE 19 5.740 -9.258 13.352 147 HE2 PHE 19 2HE PHE 19 6.435 -11.157 9.601 148 HZ PHE 19 HZ PHE 19 7.299 -10.238 11.714 149 H GLN 20 H GLN 20 -0.440 -9.312 10.598 150 HA GLN 20 HA GLN 20 -1.811 -7.614 11.198 151 1HB GLN 20 2HB GLN 20 -2.071 -9.414 13.577 152 2HB GLN 20 1HB GLN 20 -2.815 -7.823 13.607 153 1HG GLN 20 2HG GLN 20 -3.318 -9.780 11.388 154 2HG GLN 20 1HG GLN 20 -4.268 -9.769 12.873 155 1HE2 GLN 20 1HE2 GLN 20 -3.492 -8.033 9.953 156 2HE2 GLN 20 2HE2 GLN 20 -4.792 -6.904 10.044 157 H LEU 21 H LEU 21 -0.194 -6.087 11.066 158 HA LEU 21 HA LEU 21 1.430 -5.551 13.428 159 1HB LEU 21 2HB LEU 21 1.612 -4.261 10.704 160 2HB LEU 21 1HB LEU 21 2.786 -4.147 11.997 161 HG LEU 21 HG LEU 21 2.959 -6.742 11.705 162 1HD1 LEU 21 1HD1 LEU 21 2.607 -7.471 9.402 163 2HD1 LEU 21 2HD1 LEU 21 1.896 -5.904 9.012 164 3HD1 LEU 21 3HD1 LEU 21 1.094 -6.975 10.160 165 1HD2 LEU 21 1HD2 LEU 21 4.116 -4.816 9.696 166 2HD2 LEU 21 2HD2 LEU 21 4.737 -6.424 10.067 167 3HD2 LEU 21 3HD2 LEU 21 4.767 -5.161 11.297 168 H TYR 22 H TYR 22 0.032 -3.358 11.013 169 HA TYR 22 HA TYR 22 -0.823 -1.629 13.227 170 1HB TYR 22 2HB TYR 22 -0.206 -0.678 10.429 171 2HB TYR 22 1HB TYR 22 -0.433 0.292 11.872 172 HD1 TYR 22 1HD TYR 22 1.929 -1.262 9.752 173 HD2 TYR 22 2HD TYR 22 1.300 -0.052 13.782 174 HE1 TYR 22 1HE TYR 22 4.355 -1.287 10.130 175 HE2 TYR 22 2HE TYR 22 3.728 -0.073 14.172 176 HH TYR 22 HH TYR 22 5.972 -0.153 11.709 177 HA PRO 23 HA PRO 23 -4.406 -1.377 10.076 178 1HB PRO 23 2HB PRO 23 -4.074 -3.319 7.968 179 2HB PRO 23 1HB PRO 23 -4.163 -1.564 7.838 180 1HG PRO 23 2HG PRO 23 -1.904 -3.019 7.314 181 2HG PRO 23 1HG PRO 23 -1.894 -1.322 7.827 182 1HD PRO 23 2HD PRO 23 -1.421 -3.796 9.445 183 2HD PRO 23 1HD PRO 23 -0.588 -2.231 9.509 184 H GLY 24 H GLY 24 -6.224 -2.322 10.765 185 1HA GLY 24 2HA GLY 24 -6.043 -5.047 11.798 186 2HA GLY 24 1HA GLY 24 -7.314 -3.885 12.145 187 H GLU 25 H GLU 25 -9.029 -3.631 10.691 188 HA GLU 25 HA GLU 25 -9.909 -5.992 9.472 189 1HB GLU 25 2HB GLU 25 -10.879 -3.157 9.077 190 2HB GLU 25 1HB GLU 25 -11.732 -4.596 8.530 191 1HG GLU 25 2HG GLU 25 -12.015 -5.345 10.803 192 2HG GLU 25 1HG GLU 25 -11.054 -3.993 11.401 193 H LEU 26 H LEU 26 -8.658 -3.003 8.009 194 HA LEU 26 HA LEU 26 -8.766 -3.943 5.346 195 1HB LEU 26 2HB LEU 26 -8.573 -1.571 5.881 196 2HB LEU 26 1HB LEU 26 -6.999 -1.844 6.603 197 HG LEU 26 HG LEU 26 -6.111 -2.489 4.391 198 1HD1 LEU 26 1HD1 LEU 26 -8.166 -3.306 3.382 199 2HD1 LEU 26 2HD1 LEU 26 -7.433 -2.051 2.384 200 3HD1 LEU 26 3HD1 LEU 26 -8.832 -1.673 3.387 201 1HD2 LEU 26 1HD2 LEU 26 -7.461 0.208 4.464 202 2HD2 LEU 26 2HD2 LEU 26 -6.112 -0.244 3.423 203 3HD2 LEU 26 3HD2 LEU 26 -5.895 -0.190 5.172 204 H GLY 27 H GLY 27 -6.374 -4.178 7.886 205 1HA GLY 27 2HA GLY 27 -4.183 -5.064 6.356 206 2HA GLY 27 1HA GLY 27 -4.422 -5.370 8.072 207 H LYS 28 H LYS 28 -6.536 -6.966 8.260 208 HA LYS 28 HA LYS 28 -5.489 -9.428 7.271 209 1HB LYS 28 2HB LYS 28 -7.443 -10.475 8.360 210 2HB LYS 28 1HB LYS 28 -6.551 -9.407 9.430 211 1HG LYS 28 2HG LYS 28 -8.237 -7.670 9.104 212 2HG LYS 28 1HG LYS 28 -9.138 -8.752 8.039 213 1HD LYS 28 2HD LYS 28 -9.501 -10.305 9.837 214 2HD LYS 28 1HD LYS 28 -8.452 -9.376 10.907 215 1HE LYS 28 2HE LYS 28 -10.032 -7.473 10.711 216 2HE LYS 28 1HE LYS 28 -11.105 -8.507 9.767 217 1HZ LYS 28 1HZ LYS 28 -11.769 -8.451 12.074 218 2HZ LYS 28 2HZ LYS 28 -10.242 -8.975 12.567 219 3HZ LYS 28 3HZ LYS 28 -11.240 -10.006 11.670 220 H ARG 29 H ARG 29 -7.838 -7.181 6.114 221 HA ARG 29 HA ARG 29 -9.257 -8.850 4.346 222 1HB ARG 29 2HB ARG 29 -9.993 -6.575 4.862 223 2HB ARG 29 1HB ARG 29 -8.553 -5.918 4.099 224 1HG ARG 29 2HG ARG 29 -9.299 -6.818 1.941 225 2HG ARG 29 1HG ARG 29 -10.763 -7.428 2.718 226 1HD ARG 29 2HD ARG 29 -11.415 -5.170 3.315 227 2HD ARG 29 1HD ARG 29 -9.920 -4.534 2.630 228 HE ARG 29 HE ARG 29 -11.309 -6.001 0.661 229 1HH1 ARG 29 1HH1 ARG 29 -11.523 -2.988 2.439 230 2HH1 ARG 29 2HH1 ARG 29 -12.384 -2.165 1.176 231 1HH2 ARG 29 1HH2 ARG 29 -12.448 -4.909 -1.000 232 2HH2 ARG 29 2HH2 ARG 29 -12.902 -3.250 -0.774 233 H ILE 30 H ILE 30 -6.132 -7.281 4.147 234 HA ILE 30 HA ILE 30 -5.720 -8.115 1.400 235 HB ILE 30 HB ILE 30 -3.791 -6.873 3.369 236 1HG1 ILE 30 2HG1 ILE 30 -5.319 -5.623 1.071 237 2HG1 ILE 30 1HG1 ILE 30 -5.726 -5.441 2.775 238 1HG2 ILE 30 1HG2 ILE 30 -3.530 -7.259 0.387 239 2HG2 ILE 30 2HG2 ILE 30 -2.637 -8.142 1.625 240 3HG2 ILE 30 3HG2 ILE 30 -2.386 -6.408 1.426 241 1HD1 ILE 30 1HD1 ILE 30 -3.201 -4.495 1.441 242 2HD1 ILE 30 2HD1 ILE 30 -3.577 -4.335 3.158 243 3HD1 ILE 30 3HD1 ILE 30 -4.558 -3.493 1.957 244 H TYR 31 H TYR 31 -4.497 -8.978 4.625 245 HA TYR 31 HA TYR 31 -2.563 -10.818 3.673 246 1HB TYR 31 2HB TYR 31 -3.795 -10.596 6.424 247 2HB TYR 31 1HB TYR 31 -2.370 -11.545 6.023 248 HD1 TYR 31 1HD TYR 31 -2.850 -9.103 7.981 249 HD2 TYR 31 2HD TYR 31 -1.076 -9.526 4.136 250 HE1 TYR 31 1HE TYR 31 -1.442 -7.138 8.419 251 HE2 TYR 31 2HE TYR 31 0.335 -7.559 4.565 252 HH TYR 31 HH TYR 31 0.370 -5.589 5.965 253 H ASN 32 H ASN 32 -5.963 -11.156 4.130 254 HA ASN 32 HA ASN 32 -5.962 -13.930 4.753 255 1HB ASN 32 2HB ASN 32 -8.365 -13.888 4.212 256 2HB ASN 32 1HB ASN 32 -7.905 -12.590 5.303 257 1HD2 ASN 32 1HD2 ASN 32 -9.733 -11.406 4.768 258 2HD2 ASN 32 2HD2 ASN 32 -9.892 -10.592 3.253 259 H GLU 33 H GLU 33 -5.413 -12.244 1.844 260 HA GLU 33 HA GLU 33 -5.368 -14.818 0.446 261 1HB GLU 33 2HB GLU 33 -6.570 -12.272 -0.650 262 2HB GLU 33 1HB GLU 33 -6.208 -13.692 -1.625 263 1HG GLU 33 2HG GLU 33 -7.721 -14.991 -0.091 264 2HG GLU 33 1HG GLU 33 -8.201 -13.447 0.609 265 H ILE 34 H ILE 34 -3.369 -12.932 1.678 266 HA ILE 34 HA ILE 34 -1.645 -12.778 -0.689 267 HB ILE 34 HB ILE 34 -2.031 -10.646 1.391 268 1HG1 ILE 34 2HG1 ILE 34 -3.397 -10.520 -0.636 269 2HG1 ILE 34 1HG1 ILE 34 -2.229 -9.200 -0.591 270 1HG2 ILE 34 1HG2 ILE 34 0.368 -11.040 1.286 271 2HG2 ILE 34 2HG2 ILE 34 -0.040 -9.504 0.524 272 3HG2 ILE 34 3HG2 ILE 34 0.327 -10.911 -0.472 273 1HD1 ILE 34 1HD1 ILE 34 -2.395 -10.126 -2.820 274 2HD1 ILE 34 2HD1 ILE 34 -1.995 -11.729 -2.211 275 3HD1 ILE 34 3HD1 ILE 34 -0.794 -10.438 -2.146 276 H SER 35 H SER 35 0.123 -13.911 -0.491 277 HA SER 35 HA SER 35 0.881 -15.037 2.040 278 1HB SER 35 2HB SER 35 2.714 -16.091 0.661 279 2HB SER 35 1HB SER 35 1.077 -16.465 0.123 280 HG SER 35 HG SER 35 2.515 -15.889 -1.593 281 H LYS 36 H LYS 36 3.082 -14.923 2.859 282 HA LYS 36 HA LYS 36 4.044 -12.293 3.156 283 1HB LYS 36 2HB LYS 36 5.494 -14.902 3.668 284 2HB LYS 36 1HB LYS 36 5.976 -13.323 4.275 285 1HG LYS 36 2HG LYS 36 3.874 -13.184 5.537 286 2HG LYS 36 1HG LYS 36 3.446 -14.798 4.967 287 1HD LYS 36 2HD LYS 36 5.415 -15.719 6.068 288 2HD LYS 36 1HD LYS 36 5.878 -14.103 6.609 289 1HE LYS 36 2HE LYS 36 3.821 -13.941 7.912 290 2HE LYS 36 1HE LYS 36 3.330 -15.538 7.349 291 1HZ LYS 36 1HZ LYS 36 5.667 -14.903 9.063 292 2HZ LYS 36 2HZ LYS 36 5.325 -16.437 8.440 293 3HZ LYS 36 3HZ LYS 36 4.256 -15.715 9.528 294 H ASP 37 H ASP 37 4.780 -14.866 0.935 295 HA ASP 37 HA ASP 37 7.160 -13.847 -0.170 296 1HB ASP 37 2HB ASP 37 5.002 -15.510 -1.490 297 2HB ASP 37 1HB ASP 37 6.628 -15.262 -2.118 298 H ALA 38 H ALA 38 3.781 -13.557 -1.234 299 HA ALA 38 HA ALA 38 4.296 -11.846 -3.408 300 1HB ALA 38 1HB ALA 38 1.904 -11.404 -3.412 301 2HB ALA 38 2HB ALA 38 1.757 -12.103 -1.799 302 3HB ALA 38 3HB ALA 38 2.216 -13.121 -3.163 303 H TRP 39 H TRP 39 3.384 -11.192 -0.047 304 HA TRP 39 HA TRP 39 3.108 -8.408 -0.258 305 1HB TRP 39 2HB TRP 39 2.299 -9.651 1.679 306 2HB TRP 39 1HB TRP 39 3.946 -10.084 2.119 307 HD1 TRP 39 HD TRP 39 5.351 -8.314 3.473 308 HE1 TRP 39 1HE TRP 39 4.782 -6.041 4.544 309 HE3 TRP 39 3HE TRP 39 0.775 -7.524 1.321 310 HZ2 TRP 39 2HZ TRP 39 2.670 -4.168 4.490 311 HZ3 TRP 39 3HZ TRP 39 -0.453 -5.467 1.887 312 HH2 TRP 39 HH TRP 39 0.477 -3.825 3.442 313 H ALA 40 H ALA 40 5.918 -10.334 0.798 314 HA ALA 40 HA ALA 40 7.617 -8.141 1.252 315 1HB ALA 40 1HB ALA 40 8.379 -10.975 0.555 316 2HB ALA 40 2HB ALA 40 8.039 -10.369 2.177 317 3HB ALA 40 3HB ALA 40 9.433 -9.763 1.282 318 H GLN 41 H GLN 41 7.198 -10.216 -1.604 319 HA GLN 41 HA GLN 41 9.280 -9.028 -3.088 320 1HB GLN 41 2HB GLN 41 6.873 -10.625 -3.919 321 2HB GLN 41 1HB GLN 41 8.036 -10.010 -5.086 322 1HG GLN 41 2HG GLN 41 8.627 -11.889 -2.806 323 2HG GLN 41 1HG GLN 41 8.517 -12.317 -4.513 324 1HE2 GLN 41 1HE2 GLN 41 9.865 -9.884 -5.391 325 2HE2 GLN 41 2HE2 GLN 41 11.539 -10.091 -5.016 326 H TRP 42 H TRP 42 5.824 -8.266 -2.835 327 HA TRP 42 HA TRP 42 5.838 -6.299 -4.860 328 1HB TRP 42 2HB TRP 42 3.713 -7.096 -4.123 329 2HB TRP 42 1HB TRP 42 4.053 -6.660 -2.450 330 HD1 TRP 42 HD TRP 42 2.496 -4.730 -1.842 331 HE1 TRP 42 1HE TRP 42 1.802 -2.502 -2.924 332 HE3 TRP 42 3HE TRP 42 4.906 -5.213 -6.327 333 HZ2 TRP 42 2HZ TRP 42 2.223 -1.134 -5.341 334 HZ3 TRP 42 3HZ TRP 42 4.708 -3.393 -7.968 335 HH2 TRP 42 HH TRP 42 3.395 -1.397 -7.488 336 H GLN 43 H GLN 43 6.246 -6.016 -1.327 337 HA GLN 43 HA GLN 43 6.590 -3.224 -1.287 338 1HB GLN 43 2HB GLN 43 7.707 -5.319 0.584 339 2HB GLN 43 1HB GLN 43 7.672 -3.592 0.912 340 1HG GLN 43 2HG GLN 43 5.239 -5.307 0.456 341 2HG GLN 43 1HG GLN 43 5.864 -4.834 2.032 342 1HE2 GLN 43 1HE2 GLN 43 4.221 -3.777 -0.835 343 2HE2 GLN 43 2HE2 GLN 43 3.702 -2.251 -0.217 344 H HIS 44 H HIS 44 8.868 -5.873 -1.674 345 HA HIS 44 HA HIS 44 11.239 -4.356 -1.680 346 1HB HIS 44 2HB HIS 44 10.933 -6.904 -1.533 347 2HB HIS 44 1HB HIS 44 10.815 -6.869 -3.291 348 HD1 HIS 44 1HD HIS 44 13.220 -6.717 -0.496 349 HD2 HIS 44 2HD HIS 44 13.260 -6.118 -4.613 350 HE1 HIS 44 1HE HIS 44 15.646 -6.712 -1.160 351 HE2 HIS 44 2HE HIS 44 15.649 -6.293 -3.641 352 H LYS 45 H LYS 45 9.146 -5.470 -4.312 353 HA LYS 45 HA LYS 45 10.592 -4.381 -6.453 354 1HB LYS 45 2HB LYS 45 8.810 -6.060 -6.687 355 2HB LYS 45 1HB LYS 45 7.621 -4.870 -6.189 356 1HG LYS 45 2HG LYS 45 7.645 -5.269 -8.609 357 2HG LYS 45 1HG LYS 45 7.989 -3.592 -8.189 358 1HD LYS 45 2HD LYS 45 10.196 -3.745 -8.821 359 2HD LYS 45 1HD LYS 45 10.258 -5.488 -8.563 360 1HE LYS 45 2HE LYS 45 10.348 -4.894 -10.949 361 2HE LYS 45 1HE LYS 45 8.934 -5.865 -10.552 362 1HZ LYS 45 1HZ LYS 45 8.974 -2.927 -10.942 363 2HZ LYS 45 2HZ LYS 45 7.611 -3.832 -10.521 364 3HZ LYS 45 3HZ LYS 45 8.348 -4.064 -12.020 365 H GLN 46 H GLN 46 7.933 -3.066 -4.528 366 HA GLN 46 HA GLN 46 7.654 -0.620 -5.862 367 1HB GLN 46 2HB GLN 46 6.025 -1.495 -4.240 368 2HB GLN 46 1HB GLN 46 7.182 -1.250 -2.940 369 1HG GLN 46 2HG GLN 46 5.519 0.509 -2.977 370 2HG GLN 46 1HG GLN 46 7.122 1.154 -3.328 371 1HE2 GLN 46 1HE2 GLN 46 7.574 1.918 -5.384 372 2HE2 GLN 46 2HE2 GLN 46 6.336 2.242 -6.548 373 H THR 47 H THR 47 9.785 -1.608 -3.234 374 HA THR 47 HA THR 47 10.863 0.882 -2.574 375 HB THR 47 HB THR 47 12.266 -1.803 -2.525 376 HG1 THR 47 1HG THR 47 10.270 -1.713 -1.310 377 1HG2 THR 47 1HG2 THR 47 12.820 0.735 -0.979 378 2HG2 THR 47 2HG2 THR 47 13.819 0.072 -2.273 379 3HG2 THR 47 3HG2 THR 47 13.643 -0.809 -0.757 380 H MET 48 H MET 48 11.889 -1.476 -5.038 381 HA MET 48 HA MET 48 14.152 -0.056 -5.929 382 1HB MET 48 2HB MET 48 13.776 -2.405 -6.505 383 2HB MET 48 1HB MET 48 12.366 -1.957 -7.460 384 1HG MET 48 2HG MET 48 13.828 -0.634 -8.938 385 2HG MET 48 1HG MET 48 15.222 -1.181 -8.009 386 1HE MET 48 1HE MET 48 16.362 -2.020 -10.254 387 2HE MET 48 2HE MET 48 14.958 -1.472 -11.167 388 3HE MET 48 3HE MET 48 15.577 -3.106 -11.398 389 H LEU 49 H LEU 49 10.782 -0.032 -6.989 390 HA LEU 49 HA LEU 49 11.100 1.686 -9.184 391 1HB LEU 49 2HB LEU 49 8.831 0.753 -7.525 392 2HB LEU 49 1HB LEU 49 8.566 2.204 -8.477 393 HG LEU 49 HG LEU 49 9.083 0.995 -10.524 394 1HD1 LEU 49 1HD1 LEU 49 9.508 -1.379 -10.548 395 2HD1 LEU 49 2HD1 LEU 49 9.427 -1.443 -8.789 396 3HD1 LEU 49 3HD1 LEU 49 10.737 -0.567 -9.580 397 1HD2 LEU 49 1HD2 LEU 49 7.102 -0.465 -8.785 398 2HD2 LEU 49 2HD2 LEU 49 7.169 -0.520 -10.546 399 3HD2 LEU 49 3HD2 LEU 49 6.786 0.992 -9.725 400 H ILE 50 H ILE 50 10.512 2.357 -5.778 401 HA ILE 50 HA ILE 50 10.084 5.128 -5.973 402 HB ILE 50 HB ILE 50 11.293 3.487 -3.746 403 1HG1 ILE 50 2HG1 ILE 50 8.531 4.685 -4.059 404 2HG1 ILE 50 1HG1 ILE 50 8.935 2.994 -4.342 405 1HG2 ILE 50 1HG2 ILE 50 12.044 5.788 -3.535 406 2HG2 ILE 50 2HG2 ILE 50 10.863 5.406 -2.284 407 3HG2 ILE 50 3HG2 ILE 50 10.383 6.362 -3.684 408 1HD1 ILE 50 1HD1 ILE 50 9.565 2.754 -1.998 409 2HD1 ILE 50 2HD1 ILE 50 7.901 3.307 -2.170 410 3HD1 ILE 50 3HD1 ILE 50 9.166 4.448 -1.715 411 H ASN 51 H ASN 51 13.041 3.218 -5.674 412 HA ASN 51 HA ASN 51 14.821 5.430 -5.503 413 1HB ASN 51 2HB ASN 51 15.165 2.509 -6.125 414 2HB ASN 51 1HB ASN 51 16.510 3.620 -6.335 415 1HD2 ASN 51 1HD2 ASN 51 14.377 2.094 -4.051 416 2HD2 ASN 51 2HD2 ASN 51 15.310 2.468 -2.643 417 H GLU 52 H GLU 52 13.615 3.464 -8.164 418 HA GLU 52 HA GLU 52 15.303 4.552 -10.151 419 1HB GLU 52 2HB GLU 52 12.695 3.061 -10.272 420 2HB GLU 52 1HB GLU 52 13.546 3.584 -11.718 421 1HG GLU 52 2HG GLU 52 14.631 1.740 -9.599 422 2HG GLU 52 1HG GLU 52 14.021 1.255 -11.181 423 H LYS 53 H LYS 53 11.925 5.290 -9.274 424 HA LYS 53 HA LYS 53 11.859 7.350 -11.323 425 1HB LYS 53 2HB LYS 53 9.705 6.452 -9.407 426 2HB LYS 53 1HB LYS 53 9.484 7.578 -10.739 427 1HG LYS 53 2HG LYS 53 10.244 5.730 -12.274 428 2HG LYS 53 1HG LYS 53 10.130 4.648 -10.885 429 1HD LYS 53 2HD LYS 53 7.869 6.307 -12.010 430 2HD LYS 53 1HD LYS 53 8.112 4.583 -12.291 431 1HE LYS 53 2HE LYS 53 7.851 4.146 -9.908 432 2HE LYS 53 1HE LYS 53 7.655 5.873 -9.604 433 1HZ LYS 53 1HZ LYS 53 5.837 4.175 -11.232 434 2HZ LYS 53 2HZ LYS 53 5.653 5.837 -10.978 435 3HZ LYS 53 3HZ LYS 53 5.523 4.763 -9.679 436 H LYS 54 H LYS 54 12.984 7.237 -8.271 437 HA LYS 54 HA LYS 54 13.548 8.759 -6.701 438 1HB LYS 54 2HB LYS 54 13.251 10.471 -9.135 439 2HB LYS 54 1HB LYS 54 13.516 11.239 -7.578 440 1HG LYS 54 2HG LYS 54 15.609 10.961 -8.751 441 2HG LYS 54 1HG LYS 54 15.583 9.958 -7.302 442 1HD LYS 54 2HD LYS 54 15.006 8.007 -8.687 443 2HD LYS 54 1HD LYS 54 15.089 9.023 -10.128 444 1HE LYS 54 2HE LYS 54 17.425 9.429 -9.774 445 2HE LYS 54 1HE LYS 54 17.380 8.606 -8.217 446 1HZ LYS 54 1HZ LYS 54 16.911 7.337 -10.861 447 2HZ LYS 54 2HZ LYS 54 16.858 6.542 -9.367 448 3HZ LYS 54 3HZ LYS 54 18.315 7.193 -9.928 449 H LEU 55 H LEU 55 11.454 7.996 -5.773 450 HA LEU 55 HA LEU 55 9.547 10.232 -5.548 451 1HB LEU 55 2HB LEU 55 9.042 7.408 -4.638 452 2HB LEU 55 1HB LEU 55 7.871 8.678 -4.915 453 HG LEU 55 HG LEU 55 9.422 7.199 -7.035 454 1HD1 LEU 55 1HD1 LEU 55 7.676 5.854 -6.013 455 2HD1 LEU 55 2HD1 LEU 55 7.232 6.305 -7.657 456 3HD1 LEU 55 3HD1 LEU 55 6.503 7.143 -6.288 457 1HD2 LEU 55 1HD2 LEU 55 8.000 8.409 -8.630 458 2HD2 LEU 55 2HD2 LEU 55 9.042 9.499 -7.715 459 3HD2 LEU 55 3HD2 LEU 55 7.334 9.356 -7.300 460 H ASN 56 H ASN 56 8.980 10.984 -3.491 461 HA ASN 56 HA ASN 56 10.490 9.812 -1.252 462 1HB ASN 56 2HB ASN 56 10.997 12.219 -1.719 463 2HB ASN 56 1HB ASN 56 9.307 12.599 -1.395 464 1HD2 ASN 56 1HD2 ASN 56 9.939 13.954 0.319 465 2HD2 ASN 56 2HD2 ASN 56 10.465 13.313 1.834 466 H MET 57 H MET 57 9.353 8.727 0.193 467 HA MET 57 HA MET 57 6.525 8.487 -0.342 468 1HB MET 57 2HB MET 57 8.518 6.697 0.347 469 2HB MET 57 1HB MET 57 7.541 6.815 1.806 470 1HG MET 57 2HG MET 57 6.812 5.011 0.308 471 2HG MET 57 1HG MET 57 5.561 6.221 0.586 472 1HE MET 57 1HE MET 57 5.541 4.042 -1.777 473 2HE MET 57 2HE MET 57 4.968 5.016 -3.129 474 3HE MET 57 3HE MET 57 4.232 5.199 -1.536 475 H MET 58 H MET 58 6.443 10.794 0.585 476 HA MET 58 HA MET 58 5.353 10.459 3.290 477 1HB MET 58 2HB MET 58 6.096 12.666 3.949 478 2HB MET 58 1HB MET 58 7.486 11.722 3.434 479 1HG MET 58 2HG MET 58 7.540 12.867 1.321 480 2HG MET 58 1HG MET 58 6.054 13.727 1.712 481 1HE MET 58 1HE MET 58 8.573 16.650 1.801 482 2HE MET 58 2HE MET 58 7.020 16.066 1.208 483 3HE MET 58 3HE MET 58 8.514 15.302 0.668 484 H ASN 59 H ASN 59 5.159 11.840 0.117 485 HA ASN 59 HA ASN 59 2.954 13.577 0.650 486 1HB ASN 59 2HB ASN 59 3.987 12.507 -1.988 487 2HB ASN 59 1HB ASN 59 2.782 13.775 -1.816 488 1HD2 ASN 59 1HD2 ASN 59 3.966 15.324 -2.849 489 2HD2 ASN 59 2HD2 ASN 59 5.409 16.011 -2.188 490 H ALA 60 H ALA 60 0.800 13.269 0.315 491 HA ALA 60 HA ALA 60 -0.258 10.670 0.547 492 1HB ALA 60 1HB ALA 60 -1.409 12.684 1.353 493 2HB ALA 60 2HB ALA 60 -2.433 11.720 0.289 494 3HB ALA 60 3HB ALA 60 -1.671 13.192 -0.315 495 H GLU 61 H GLU 61 0.544 12.640 -2.177 496 HA GLU 61 HA GLU 61 -0.968 11.399 -4.177 497 1HB GLU 61 2HB GLU 61 1.786 12.616 -4.404 498 2HB GLU 61 1HB GLU 61 0.672 12.322 -5.735 499 1HG GLU 61 2HG GLU 61 0.205 14.193 -3.426 500 2HG GLU 61 1HG GLU 61 0.665 14.658 -5.062 501 H HIS 62 H HIS 62 2.154 10.542 -2.760 502 HA HIS 62 HA HIS 62 2.430 8.295 -4.569 503 1HB HIS 62 2HB HIS 62 4.118 9.092 -2.189 504 2HB HIS 62 1HB HIS 62 4.488 7.771 -3.294 505 HD1 HIS 62 1HD HIS 62 4.578 8.726 -5.977 506 HD2 HIS 62 2HD HIS 62 5.398 11.353 -2.860 507 HE1 HIS 62 1HE HIS 62 5.835 10.638 -7.010 508 HE2 HIS 62 2HE HIS 62 6.166 12.286 -5.138 509 H ARG 63 H ARG 63 1.061 8.982 -1.511 510 HA ARG 63 HA ARG 63 0.994 6.327 -0.489 511 1HB ARG 63 2HB ARG 63 -0.711 8.752 0.069 512 2HB ARG 63 1HB ARG 63 -0.954 7.213 0.881 513 1HG ARG 63 2HG ARG 63 1.593 8.816 0.950 514 2HG ARG 63 1HG ARG 63 0.361 8.808 2.213 515 1HD ARG 63 2HD ARG 63 0.695 6.365 2.455 516 2HD ARG 63 1HD ARG 63 2.000 6.458 1.275 517 HE ARG 63 HE ARG 63 2.655 8.296 3.198 518 1HH1 ARG 63 1HH1 ARG 63 1.981 4.865 3.189 519 2HH1 ARG 63 2HH1 ARG 63 3.035 4.523 4.525 520 1HH2 ARG 63 1HH2 ARG 63 4.025 7.857 4.976 521 2HH2 ARG 63 2HH2 ARG 63 4.189 6.226 5.545 522 H LYS 64 H LYS 64 -1.365 8.292 -2.312 523 HA LYS 64 HA LYS 64 -3.253 6.196 -2.538 524 1HB LYS 64 2HB LYS 64 -4.304 7.540 -4.312 525 2HB LYS 64 1HB LYS 64 -3.937 8.500 -2.889 526 1HG LYS 64 2HG LYS 64 -2.044 9.490 -3.967 527 2HG LYS 64 1HG LYS 64 -2.217 8.418 -5.353 528 1HD LYS 64 2HD LYS 64 -3.137 10.462 -6.053 529 2HD LYS 64 1HD LYS 64 -4.526 9.451 -5.661 530 1HE LYS 64 2HE LYS 64 -3.333 11.430 -3.728 531 2HE LYS 64 1HE LYS 64 -4.613 11.850 -4.860 532 1HZ LYS 64 1HZ LYS 64 -5.601 11.322 -2.790 533 2HZ LYS 64 2HZ LYS 64 -4.746 9.880 -2.651 534 3HZ LYS 64 3HZ LYS 64 -5.947 10.038 -3.830 535 H LEU 65 H LEU 65 -0.510 7.173 -4.523 536 HA LEU 65 HA LEU 65 -0.962 5.404 -6.663 537 1HB LEU 65 2HB LEU 65 1.214 7.063 -5.685 538 2HB LEU 65 1HB LEU 65 1.804 5.558 -6.359 539 HG LEU 65 HG LEU 65 1.766 7.409 -7.998 540 1HD1 LEU 65 1HD1 LEU 65 0.659 6.170 -9.798 541 2HD1 LEU 65 2HD1 LEU 65 -0.123 5.136 -8.602 542 3HD1 LEU 65 3HD1 LEU 65 1.632 5.113 -8.774 543 1HD2 LEU 65 1HD2 LEU 65 -1.230 7.266 -7.647 544 2HD2 LEU 65 2HD2 LEU 65 -0.377 8.202 -8.874 545 3HD2 LEU 65 3HD2 LEU 65 -0.189 8.609 -7.169 546 H LEU 66 H LEU 66 0.931 5.035 -3.688 547 HA LEU 66 HA LEU 66 1.729 2.382 -4.052 548 1HB LEU 66 2HB LEU 66 2.683 3.798 -2.325 549 2HB LEU 66 1HB LEU 66 1.131 3.911 -1.519 550 HG LEU 66 HG LEU 66 1.246 1.461 -1.063 551 1HD1 LEU 66 1HD1 LEU 66 4.047 1.748 -2.137 552 2HD1 LEU 66 2HD1 LEU 66 2.745 0.790 -2.843 553 3HD1 LEU 66 3HD1 LEU 66 3.420 0.342 -1.276 554 1HD2 LEU 66 1HD2 LEU 66 1.887 3.084 0.629 555 2HD2 LEU 66 2HD2 LEU 66 3.531 3.124 -0.008 556 3HD2 LEU 66 3HD2 LEU 66 2.904 1.648 0.727 557 H GLU 67 H GLU 67 -1.185 3.763 -2.643 558 HA GLU 67 HA GLU 67 -2.324 1.377 -1.697 559 1HB GLU 67 2HB GLU 67 -2.970 3.727 -1.088 560 2HB GLU 67 1HB GLU 67 -3.761 3.855 -2.650 561 1HG GLU 67 2HG GLU 67 -5.311 2.105 -2.047 562 2HG GLU 67 1HG GLU 67 -4.479 1.868 -0.508 563 H GLN 68 H GLN 68 -2.943 3.201 -4.699 564 HA GLN 68 HA GLN 68 -4.735 1.415 -5.869 565 1HB GLN 68 2HB GLN 68 -2.731 3.288 -7.140 566 2HB GLN 68 1HB GLN 68 -3.962 2.422 -8.046 567 1HG GLN 68 2HG GLN 68 -5.712 3.574 -6.857 568 2HG GLN 68 1HG GLN 68 -4.528 4.376 -5.825 569 1HE2 GLN 68 1HE2 GLN 68 -5.929 4.220 -9.004 570 2HE2 GLN 68 2HE2 GLN 68 -5.303 5.728 -9.571 571 H GLU 69 H GLU 69 -1.209 1.623 -6.253 572 HA GLU 69 HA GLU 69 -0.936 -0.556 -8.004 573 1HB GLU 69 2HB GLU 69 0.938 0.846 -6.129 574 2HB GLU 69 1HB GLU 69 1.462 -0.561 -7.042 575 1HG GLU 69 2HG GLU 69 0.217 1.797 -8.399 576 2HG GLU 69 1HG GLU 69 1.938 1.752 -8.008 577 H MET 70 H MET 70 -0.874 -0.390 -4.470 578 HA MET 70 HA MET 70 -0.064 -3.056 -4.025 579 1HB MET 70 2HB MET 70 0.017 -1.354 -2.272 580 2HB MET 70 1HB MET 70 -1.737 -1.237 -2.282 581 1HG MET 70 2HG MET 70 -1.923 -3.512 -1.476 582 2HG MET 70 1HG MET 70 -0.172 -3.699 -1.544 583 1HE MET 70 1HE MET 70 -2.345 -0.857 1.381 584 2HE MET 70 2HE MET 70 -3.158 -1.827 0.151 585 3HE MET 70 3HE MET 70 -2.137 -0.472 -0.327 586 H VAL 71 H VAL 71 -3.286 -1.578 -4.192 587 HA VAL 71 HA VAL 71 -4.657 -4.051 -3.743 588 HB VAL 71 HB VAL 71 -5.746 -1.461 -4.881 589 1HG1 VAL 71 1HG1 VAL 71 -7.231 -3.354 -5.296 590 2HG1 VAL 71 2HG1 VAL 71 -7.921 -2.262 -4.095 591 3HG1 VAL 71 3HG1 VAL 71 -7.181 -3.780 -3.585 592 1HG2 VAL 71 1HG2 VAL 71 -4.710 -1.140 -2.684 593 2HG2 VAL 71 2HG2 VAL 71 -5.708 -2.436 -2.024 594 3HG2 VAL 71 3HG2 VAL 71 -6.463 -0.954 -2.609 595 H SER 72 H SER 72 -3.099 -2.734 -6.449 596 HA SER 72 HA SER 72 -4.772 -4.184 -8.348 597 1HB SER 72 2HB SER 72 -3.855 -1.846 -8.798 598 2HB SER 72 1HB SER 72 -2.275 -2.605 -8.975 599 HG SER 72 HG SER 72 -3.803 -4.034 -10.500 600 H PHE 73 H PHE 73 -1.362 -4.118 -7.302 601 HA PHE 73 HA PHE 73 -0.604 -6.304 -8.953 602 1HB PHE 73 2HB PHE 73 0.995 -4.598 -8.158 603 2HB PHE 73 1HB PHE 73 0.774 -5.163 -6.507 604 HD1 PHE 73 1HD PHE 73 2.200 -5.965 -9.791 605 HD2 PHE 73 2HD PHE 73 1.843 -7.149 -5.722 606 HE1 PHE 73 1HE PHE 73 4.035 -7.572 -10.099 607 HE2 PHE 73 2HE PHE 73 3.676 -8.761 -6.022 608 HZ PHE 73 HZ PHE 73 4.777 -8.972 -8.214 609 H LEU 74 H LEU 74 -1.331 -6.042 -5.485 610 HA LEU 74 HA LEU 74 -0.697 -8.805 -5.043 611 1HB LEU 74 2HB LEU 74 -1.892 -6.689 -3.268 612 2HB LEU 74 1HB LEU 74 -1.569 -8.326 -2.730 613 HG LEU 74 HG LEU 74 0.498 -6.343 -3.689 614 1HD1 LEU 74 1HD1 LEU 74 -0.099 -7.430 -0.941 615 2HD1 LEU 74 2HD1 LEU 74 -0.384 -5.782 -1.498 616 3HD1 LEU 74 3HD1 LEU 74 1.263 -6.394 -1.362 617 1HD2 LEU 74 1HD2 LEU 74 1.110 -8.630 -4.275 618 2HD2 LEU 74 2HD2 LEU 74 0.829 -9.141 -2.611 619 3HD2 LEU 74 3HD2 LEU 74 2.133 -8.014 -2.981 620 H PHE 75 H PHE 75 -3.712 -6.924 -4.823 621 HA PHE 75 HA PHE 75 -5.196 -9.438 -4.604 622 1HB PHE 75 2HB PHE 75 -5.538 -7.575 -2.949 623 2HB PHE 75 1HB PHE 75 -6.213 -6.615 -4.257 624 HD1 PHE 75 1HD PHE 75 -6.717 -9.606 -2.168 625 HD2 PHE 75 2HD PHE 75 -8.434 -6.961 -5.028 626 HE1 PHE 75 1HE PHE 75 -8.934 -10.581 -1.735 627 HE2 PHE 75 2HE PHE 75 -10.651 -7.937 -4.602 628 HZ PHE 75 HZ PHE 75 -10.902 -9.746 -2.953 629 H GLU 76 H GLU 76 -4.939 -6.546 -6.540 630 HA GLU 76 HA GLU 76 -5.845 -5.819 -8.451 631 1HB GLU 76 2HB GLU 76 -4.604 -7.852 -9.278 632 2HB GLU 76 1HB GLU 76 -6.141 -8.709 -9.244 633 1HG GLU 76 2HG GLU 76 -5.475 -7.779 -11.476 634 2HG GLU 76 1HG GLU 76 -7.075 -7.301 -10.903 635 H GLY 77 H GLY 77 -7.578 -5.248 -6.908 636 1HA GLY 77 2HA GLY 77 -10.107 -6.060 -8.128 637 2HA GLY 77 1HA GLY 77 -9.964 -6.207 -6.380 638 H LYS 78 H LYS 78 -8.451 -3.725 -8.307 639 HA LYS 78 HA LYS 78 -9.793 -1.744 -6.642 640 1HB LYS 78 2HB LYS 78 -8.040 -0.196 -7.552 641 2HB LYS 78 1HB LYS 78 -7.422 -1.544 -6.615 642 1HG LYS 78 2HG LYS 78 -5.955 -1.513 -8.370 643 2HG LYS 78 1HG LYS 78 -7.141 -2.675 -8.956 644 1HD LYS 78 2HD LYS 78 -8.197 -0.968 -10.310 645 2HD LYS 78 1HD LYS 78 -7.122 0.264 -9.648 646 1HE LYS 78 2HE LYS 78 -6.320 -0.342 -11.818 647 2HE LYS 78 1HE LYS 78 -5.200 -0.984 -10.620 648 1HZ LYS 78 1HZ LYS 78 -6.249 -3.166 -10.874 649 2HZ LYS 78 2HZ LYS 78 -5.641 -2.598 -12.345 650 3HZ LYS 78 3HZ LYS 78 -7.301 -2.531 -12.041 651 H ASP 79 H ASP 79 -11.004 -0.071 -7.429 652 HA ASP 79 HA ASP 79 -11.775 -0.227 -10.254 653 1HB ASP 79 2HB ASP 79 -13.639 -0.276 -8.717 654 2HB ASP 79 1HB ASP 79 -13.054 1.165 -7.893 655 H VAL 80 H VAL 80 -10.103 1.723 -7.965 656 HA VAL 80 HA VAL 80 -10.327 4.235 -9.229 657 HB VAL 80 HB VAL 80 -8.013 3.331 -7.513 658 1HG1 VAL 80 1HG1 VAL 80 -7.707 5.477 -8.630 659 2HG1 VAL 80 2HG1 VAL 80 -7.890 5.692 -6.889 660 3HG1 VAL 80 3HG1 VAL 80 -9.239 6.050 -7.968 661 1HG2 VAL 80 1HG2 VAL 80 -10.701 4.388 -6.640 662 2HG2 VAL 80 2HG2 VAL 80 -9.306 4.154 -5.586 663 3HG2 VAL 80 3HG2 VAL 80 -10.068 2.764 -6.360 664 H HIS 81 H HIS 81 -9.737 4.539 -11.262 665 HA HIS 81 HA HIS 81 -7.826 2.944 -12.624 666 1HB HIS 81 2HB HIS 81 -9.049 5.584 -13.457 667 2HB HIS 81 1HB HIS 81 -8.226 4.447 -14.519 668 HD1 HIS 81 1HD HIS 81 -11.501 5.423 -13.627 669 HD2 HIS 81 2HD HIS 81 -9.668 1.765 -14.325 670 HE1 HIS 81 1HE HIS 81 -13.372 3.820 -14.118 671 HE2 HIS 81 2HE HIS 81 -12.249 1.571 -14.261 672 H ILE 82 H ILE 82 -5.699 3.247 -12.987 673 HA ILE 82 HA ILE 82 -4.450 5.514 -11.625 674 HB ILE 82 HB ILE 82 -3.011 3.121 -12.766 675 1HG1 ILE 82 2HG1 ILE 82 -4.081 3.449 -9.949 676 2HG1 ILE 82 1HG1 ILE 82 -4.764 2.378 -11.167 677 1HG2 ILE 82 1HG2 ILE 82 -1.644 5.069 -12.237 678 2HG2 ILE 82 2HG2 ILE 82 -1.304 3.748 -11.118 679 3HG2 ILE 82 3HG2 ILE 82 -2.304 5.105 -10.604 680 1HD1 ILE 82 1HD1 ILE 82 -3.388 1.140 -9.612 681 2HD1 ILE 82 2HD1 ILE 82 -2.009 2.179 -9.972 682 3HD1 ILE 82 3HD1 ILE 82 -2.663 1.119 -11.220 683 H GLU 83 H GLU 83 -4.769 7.121 -13.176 684 HA GLU 83 HA GLU 83 -3.082 6.807 -15.574 685 1HB GLU 83 2HB GLU 83 -5.576 7.173 -15.959 686 2HB GLU 83 1HB GLU 83 -5.355 8.777 -15.273 687 1HG GLU 83 2HG GLU 83 -3.754 9.312 -17.040 688 2HG GLU 83 1HG GLU 83 -3.982 7.707 -17.731 689 H GLY 84 H GLY 84 -3.290 8.146 -12.583 690 1HA GLY 84 2HA GLY 84 -1.731 9.597 -11.596 691 2HA GLY 84 1HA GLY 84 -1.309 10.195 -13.197 692 H TYR 85 H TYR 85 -1.517 12.345 -12.550 693 HA TYR 85 HA TYR 85 -2.581 14.345 -12.443 694 1HB TYR 85 2HB TYR 85 -5.014 12.787 -13.347 695 2HB TYR 85 1HB TYR 85 -4.839 14.537 -13.386 696 HD1 TYR 85 1HD TYR 85 -4.136 11.424 -15.074 697 HD2 TYR 85 2HD TYR 85 -3.188 15.570 -14.960 698 HE1 TYR 85 1HE TYR 85 -3.209 11.267 -17.345 699 HE2 TYR 85 2HE TYR 85 -2.253 15.422 -17.231 700 HH TYR 85 HH TYR 85 -2.731 12.681 -19.238 701 H THR 86 H THR 86 -5.158 15.056 -11.668 702 HA THR 86 HA THR 86 -5.504 13.769 -9.065 703 HB THR 86 HB THR 86 -4.372 15.861 -8.626 704 HG1 THR 86 1HG THR 86 -5.778 15.492 -7.028 705 1HG2 THR 86 1HG2 THR 86 -4.964 17.119 -10.629 706 2HG2 THR 86 2HG2 THR 86 -5.378 18.035 -9.180 707 3HG2 THR 86 3HG2 THR 86 -6.642 17.212 -10.092 708 HA PRO 87 HA PRO 87 -9.513 13.487 -11.045 709 1HB PRO 87 2HB PRO 87 -10.474 11.503 -9.487 710 2HB PRO 87 1HB PRO 87 -9.316 11.208 -10.789 711 1HG PRO 87 2HG PRO 87 -8.856 11.397 -7.844 712 2HG PRO 87 1HG PRO 87 -8.122 10.299 -9.025 713 1HD PRO 87 2HD PRO 87 -6.907 12.560 -8.042 714 2HD PRO 87 1HD PRO 87 -6.512 11.814 -9.603 715 H GLU 88 H GLU 88 -11.160 14.796 -10.654 716 HA GLU 88 HA GLU 88 -11.711 15.973 -8.137 717 1HB GLU 88 2HB GLU 88 -13.727 15.705 -10.365 718 2HB GLU 88 1HB GLU 88 -13.612 16.975 -9.159 719 1HG GLU 88 2HG GLU 88 -12.822 18.044 -11.019 720 2HG GLU 88 1HG GLU 88 -11.322 17.466 -10.295 721 H ASP 89 H ASP 89 -13.303 15.499 -6.611 722 HA ASP 89 HA ASP 89 -14.194 12.801 -6.437 723 1HB ASP 89 2HB ASP 89 -15.504 13.594 -4.469 724 2HB ASP 89 1HB ASP 89 -13.804 14.037 -4.391 725 H LYS 90 H LYS 90 -16.114 11.898 -7.004 726 HA LYS 90 HA LYS 90 -17.464 13.264 -9.118 727 1HB LYS 90 2HB LYS 90 -16.945 10.706 -8.847 728 2HB LYS 90 1HB LYS 90 -18.470 10.679 -7.971 729 1HG LYS 90 2HG LYS 90 -18.124 11.681 -10.792 730 2HG LYS 90 1HG LYS 90 -18.701 10.074 -10.352 731 1HD LYS 90 2HD LYS 90 -20.679 10.941 -9.395 732 2HD LYS 90 1HD LYS 90 -20.046 12.587 -9.395 733 1HE LYS 90 2HE LYS 90 -20.038 12.530 -11.874 734 2HE LYS 90 1HE LYS 90 -20.798 10.941 -11.803 735 1HZ LYS 90 1HZ LYS 90 -21.965 13.409 -10.627 736 2HZ LYS 90 2HZ LYS 90 -22.710 11.889 -10.742 737 3HZ LYS 90 3HZ LYS 90 -22.386 12.777 -12.141 738 H LYS 91 H LYS 91 -18.833 14.807 -8.680 739 HA LYS 91 HA LYS 91 -20.787 14.494 -6.534 740 1HB LYS 91 2HB LYS 91 -20.059 16.857 -8.283 741 2HB LYS 91 1HB LYS 91 -21.327 16.884 -7.061 742 1HG LYS 91 2HG LYS 91 -19.756 16.547 -5.306 743 2HG LYS 91 1HG LYS 91 -18.458 16.220 -6.453 744 1HD LYS 91 2HD LYS 91 -18.607 18.537 -7.256 745 2HD LYS 91 1HD LYS 91 -19.885 18.854 -6.075 746 1HE LYS 91 2HE LYS 91 -18.379 18.427 -4.251 747 2HE LYS 91 1HE LYS 91 -17.116 17.897 -5.359 748 1HZ LYS 91 1HZ LYS 91 -16.658 20.116 -4.646 749 2HZ LYS 91 2HZ LYS 91 -18.199 20.647 -5.086 750 3HZ LYS 91 3HZ LYS 91 -17.096 20.172 -6.277 Start of MODEL 3 1 1H MET 1 1HT MET 1 2.760 -24.966 12.785 2 2H MET 1 2HT MET 1 1.927 -26.059 13.769 3 3H MET 1 3HT MET 1 1.775 -24.394 14.036 4 HA MET 1 HA MET 1 0.866 -25.861 11.636 5 1HB MET 1 2HB MET 1 -1.387 -25.450 12.388 6 2HB MET 1 1HB MET 1 -0.512 -26.262 13.675 7 1HG MET 1 2HG MET 1 -1.035 -23.302 13.546 8 2HG MET 1 1HG MET 1 -1.987 -24.459 14.472 9 1HE MET 1 1HE MET 1 -1.598 -22.873 16.592 10 2HE MET 1 2HE MET 1 -0.567 -21.790 15.657 11 3HE MET 1 3HE MET 1 -0.004 -22.429 17.201 12 H SER 2 H SER 2 0.140 -24.654 9.970 13 HA SER 2 HA SER 2 0.642 -21.761 10.157 14 1HB SER 2 2HB SER 2 0.771 -23.595 7.749 15 2HB SER 2 1HB SER 2 1.037 -21.852 7.712 16 HG SER 2 HG SER 2 3.031 -22.335 8.119 17 H ARG 3 H ARG 3 -0.820 -20.337 9.143 18 HA ARG 3 HA ARG 3 -3.546 -21.296 9.054 19 1HB ARG 3 2HB ARG 3 -2.860 -19.088 10.066 20 2HB ARG 3 1HB ARG 3 -2.488 -18.527 8.443 21 1HG ARG 3 2HG ARG 3 -4.810 -18.790 7.793 22 2HG ARG 3 1HG ARG 3 -5.202 -19.422 9.394 23 1HD ARG 3 2HD ARG 3 -4.427 -17.266 10.365 24 2HD ARG 3 1HD ARG 3 -4.200 -16.655 8.729 25 HE ARG 3 HE ARG 3 -6.826 -17.610 8.986 26 1HH1 ARG 3 1HH1 ARG 3 -4.809 -14.973 10.108 27 2HH1 ARG 3 2HH1 ARG 3 -6.144 -13.893 10.352 28 1HH2 ARG 3 1HH2 ARG 3 -8.573 -16.189 9.308 29 2HH2 ARG 3 2HH2 ARG 3 -8.280 -14.578 9.885 30 H THR 4 H THR 4 -3.952 -22.490 7.271 31 HA THR 4 HA THR 4 -2.792 -21.908 4.720 32 HB THR 4 HB THR 4 -4.445 -23.717 3.950 33 HG1 THR 4 1HG THR 4 -5.909 -24.149 5.412 34 1HG2 THR 4 1HG2 THR 4 -3.084 -25.509 4.923 35 2HG2 THR 4 2HG2 THR 4 -2.416 -24.369 6.090 36 3HG2 THR 4 3HG2 THR 4 -2.085 -24.165 4.371 37 H ILE 5 H ILE 5 -3.513 -20.575 3.233 38 HA ILE 5 HA ILE 5 -6.374 -19.953 3.110 39 HB ILE 5 HB ILE 5 -5.755 -17.546 2.600 40 1HG1 ILE 5 2HG1 ILE 5 -3.583 -16.889 3.914 41 2HG1 ILE 5 1HG1 ILE 5 -3.107 -18.552 3.600 42 1HG2 ILE 5 1HG2 ILE 5 -5.287 -18.615 5.376 43 2HG2 ILE 5 2HG2 ILE 5 -6.831 -18.145 4.669 44 3HG2 ILE 5 3HG2 ILE 5 -5.601 -16.923 4.985 45 1HD1 ILE 5 1HD1 ILE 5 -3.342 -18.147 1.191 46 2HD1 ILE 5 2HD1 ILE 5 -2.167 -17.069 1.945 47 3HD1 ILE 5 3HD1 ILE 5 -3.772 -16.470 1.529 48 H PHE 6 H PHE 6 -6.704 -18.510 1.023 49 HA PHE 6 HA PHE 6 -5.111 -19.730 -1.131 50 1HB PHE 6 2HB PHE 6 -7.973 -18.734 -1.176 51 2HB PHE 6 1HB PHE 6 -7.085 -19.270 -2.598 52 HD1 PHE 6 1HD PHE 6 -6.296 -21.656 -2.701 53 HD2 PHE 6 2HD PHE 6 -9.058 -20.266 0.224 54 HE1 PHE 6 1HE PHE 6 -7.014 -23.971 -2.284 55 HE2 PHE 6 2HE PHE 6 -9.777 -22.581 0.651 56 HZ PHE 6 HZ PHE 6 -8.756 -24.436 -0.606 57 H CYS 7 H CYS 7 -3.565 -18.263 -1.546 58 HA CYS 7 HA CYS 7 -3.984 -15.452 -1.349 59 1HB CYS 7 2HB CYS 7 -1.758 -16.464 -1.040 60 2HB CYS 7 1HB CYS 7 -1.759 -16.971 -2.726 61 HG CYS 7 HG CYS 7 -2.232 -13.682 -2.220 62 H THR 8 H THR 8 -4.879 -14.139 -2.778 63 HA THR 8 HA THR 8 -6.064 -15.140 -5.138 64 HB THR 8 HB THR 8 -6.524 -12.646 -5.555 65 HG1 THR 8 1HG THR 8 -6.195 -11.416 -3.554 66 1HG2 THR 8 1HG2 THR 8 -8.167 -14.140 -4.564 67 2HG2 THR 8 2HG2 THR 8 -8.196 -12.586 -3.732 68 3HG2 THR 8 3HG2 THR 8 -7.401 -13.971 -2.984 69 H TYR 9 H TYR 9 -3.095 -13.365 -4.548 70 HA TYR 9 HA TYR 9 -2.503 -12.698 -7.219 71 1HB TYR 9 2HB TYR 9 -1.325 -11.682 -5.316 72 2HB TYR 9 1HB TYR 9 -0.614 -13.241 -4.912 73 HD1 TYR 9 1HD TYR 9 -0.697 -10.604 -7.519 74 HD2 TYR 9 2HD TYR 9 1.382 -13.954 -5.934 75 HE1 TYR 9 1HE TYR 9 1.211 -10.109 -8.988 76 HE2 TYR 9 2HE TYR 9 3.295 -13.468 -7.396 77 HH TYR 9 HH TYR 9 3.670 -12.281 -9.607 78 H LEU 10 H LEU 10 -2.157 -15.641 -5.393 79 HA LEU 10 HA LEU 10 -0.521 -16.848 -7.498 80 1HB LEU 10 2HB LEU 10 -1.308 -17.918 -4.786 81 2HB LEU 10 1HB LEU 10 -0.221 -18.705 -5.914 82 HG LEU 10 HG LEU 10 0.298 -16.043 -4.580 83 1HD1 LEU 10 1HD1 LEU 10 1.958 -17.245 -3.267 84 2HD1 LEU 10 2HD1 LEU 10 1.478 -18.763 -4.029 85 3HD1 LEU 10 3HD1 LEU 10 0.344 -17.897 -2.990 86 1HD2 LEU 10 1HD2 LEU 10 2.058 -17.778 -6.309 87 2HD2 LEU 10 2HD2 LEU 10 2.569 -16.321 -5.460 88 3HD2 LEU 10 3HD2 LEU 10 1.375 -16.213 -6.752 89 H GLN 11 H GLN 11 -3.701 -16.926 -6.112 90 HA GLN 11 HA GLN 11 -5.598 -18.086 -6.552 91 1HB GLN 11 2HB GLN 11 -4.166 -18.668 -9.153 92 2HB GLN 11 1HB GLN 11 -5.837 -19.113 -8.834 93 1HG GLN 11 2HG GLN 11 -4.749 -16.306 -8.828 94 2HG GLN 11 1HG GLN 11 -5.652 -17.055 -10.144 95 1HE2 GLN 11 1HE2 GLN 11 -6.274 -14.682 -8.556 96 2HE2 GLN 11 2HE2 GLN 11 -7.828 -14.977 -7.858 97 H ARG 12 H ARG 12 -3.409 -19.285 -5.152 98 HA ARG 12 HA ARG 12 -3.977 -22.125 -5.559 99 1HB ARG 12 2HB ARG 12 -1.246 -20.842 -5.493 100 2HB ARG 12 1HB ARG 12 -1.493 -22.548 -5.159 101 1HG ARG 12 2HG ARG 12 -2.366 -22.899 -7.379 102 2HG ARG 12 1HG ARG 12 -2.267 -21.169 -7.718 103 1HD ARG 12 2HD ARG 12 -0.391 -22.550 -8.653 104 2HD ARG 12 1HD ARG 12 0.107 -21.199 -7.634 105 HE ARG 12 HE ARG 12 0.403 -22.871 -5.827 106 1HH1 ARG 12 1HH1 ARG 12 0.452 -23.947 -9.161 107 2HH1 ARG 12 2HH1 ARG 12 1.423 -25.342 -8.824 108 1HH2 ARG 12 1HH2 ARG 12 1.693 -24.686 -5.387 109 2HH2 ARG 12 2HH2 ARG 12 2.142 -25.761 -6.676 110 H ASP 13 H ASP 13 -2.927 -23.411 -3.705 111 HA ASP 13 HA ASP 13 -3.752 -22.363 -1.195 112 1HB ASP 13 2HB ASP 13 -3.752 -24.773 -1.620 113 2HB ASP 13 1HB ASP 13 -2.009 -24.753 -1.862 114 H ALA 14 H ALA 14 -2.655 -21.170 0.239 115 HA ALA 14 HA ALA 14 0.254 -21.047 0.076 116 1HB ALA 14 1HB ALA 14 -0.523 -19.293 -1.433 117 2HB ALA 14 2HB ALA 14 0.273 -18.609 -0.016 118 3HB ALA 14 3HB ALA 14 -1.487 -18.595 -0.132 119 H GLU 15 H GLU 15 1.080 -19.512 1.835 120 HA GLU 15 HA GLU 15 -0.311 -20.245 4.302 121 1HB GLU 15 2HB GLU 15 2.015 -21.008 4.089 122 2HB GLU 15 1HB GLU 15 2.543 -19.352 3.824 123 1HG GLU 15 2HG GLU 15 1.845 -18.755 6.075 124 2HG GLU 15 1HG GLU 15 1.272 -20.401 6.336 125 H GLY 16 H GLY 16 -1.211 -18.732 5.566 126 1HA GLY 16 2HA GLY 16 -1.526 -16.062 4.798 127 2HA GLY 16 1HA GLY 16 -1.792 -16.684 6.424 128 H GLN 17 H GLN 17 -0.588 -14.150 5.468 129 HA GLN 17 HA GLN 17 2.215 -14.220 5.768 130 1HB GLN 17 2HB GLN 17 0.228 -11.983 6.075 131 2HB GLN 17 1HB GLN 17 1.965 -11.747 6.165 132 1HG GLN 17 2HG GLN 17 2.196 -12.544 3.880 133 2HG GLN 17 1HG GLN 17 0.452 -12.801 3.796 134 1HE2 GLN 17 1HE2 GLN 17 1.858 -10.124 5.510 135 2HE2 GLN 17 2HE2 GLN 17 1.347 -8.894 4.410 136 H ASP 18 H ASP 18 0.271 -12.238 7.902 137 HA ASP 18 HA ASP 18 1.530 -13.428 10.243 138 1HB ASP 18 2HB ASP 18 1.764 -10.479 9.570 139 2HB ASP 18 1HB ASP 18 2.323 -11.244 11.052 140 H PHE 19 H PHE 19 0.821 -11.540 12.073 141 HA PHE 19 HA PHE 19 -2.108 -11.566 11.873 142 1HB PHE 19 2HB PHE 19 -0.330 -11.511 14.324 143 2HB PHE 19 1HB PHE 19 -2.091 -11.505 14.342 144 HD1 PHE 19 1HD PHE 19 0.878 -13.518 14.105 145 HD2 PHE 19 2HD PHE 19 -3.327 -13.492 13.449 146 HE1 PHE 19 1HE PHE 19 0.878 -15.977 14.043 147 HE2 PHE 19 2HE PHE 19 -3.336 -15.952 13.392 148 HZ PHE 19 HZ PHE 19 -1.233 -17.198 13.686 149 H GLN 20 H GLN 20 -2.981 -9.727 13.502 150 HA GLN 20 HA GLN 20 -2.173 -7.316 12.161 151 1HB GLN 20 2HB GLN 20 -4.318 -7.949 14.165 152 2HB GLN 20 1HB GLN 20 -3.969 -6.296 13.679 153 1HG GLN 20 2HG GLN 20 -4.367 -6.968 11.322 154 2HG GLN 20 1HG GLN 20 -4.878 -8.548 11.914 155 1HE2 GLN 20 1HE2 GLN 20 -5.598 -5.143 11.866 156 2HE2 GLN 20 2HE2 GLN 20 -7.258 -5.284 12.330 157 H LEU 21 H LEU 21 -0.124 -6.858 12.850 158 HA LEU 21 HA LEU 21 0.269 -6.319 15.695 159 1HB LEU 21 2HB LEU 21 2.690 -5.850 14.718 160 2HB LEU 21 1HB LEU 21 2.131 -7.464 15.097 161 HG LEU 21 HG LEU 21 1.556 -7.774 12.680 162 1HD1 LEU 21 1HD1 LEU 21 2.514 -6.239 11.042 163 2HD1 LEU 21 2HD1 LEU 21 3.023 -5.161 12.342 164 3HD1 LEU 21 3HD1 LEU 21 1.306 -5.435 12.044 165 1HD2 LEU 21 1HD2 LEU 21 3.641 -8.620 13.615 166 2HD2 LEU 21 2HD2 LEU 21 4.424 -7.075 13.286 167 3HD2 LEU 21 3HD2 LEU 21 3.866 -8.080 11.950 168 H TYR 22 H TYR 22 -0.579 -4.687 12.891 169 HA TYR 22 HA TYR 22 -0.578 -2.197 14.264 170 1HB TYR 22 2HB TYR 22 1.733 -2.087 13.586 171 2HB TYR 22 1HB TYR 22 1.316 -2.465 11.924 172 HD1 TYR 22 1HD TYR 22 0.912 -0.740 10.400 173 HD2 TYR 22 2HD TYR 22 0.753 0.096 14.569 174 HE1 TYR 22 1HE TYR 22 0.680 1.658 9.907 175 HE2 TYR 22 2HE TYR 22 0.524 2.495 14.084 176 HH TYR 22 HH TYR 22 1.030 4.064 12.284 177 HA PRO 23 HA PRO 23 -2.601 -1.559 9.899 178 1HB PRO 23 2HB PRO 23 -2.688 -4.313 8.825 179 2HB PRO 23 1HB PRO 23 -2.285 -2.805 8.005 180 1HG PRO 23 2HG PRO 23 -0.398 -4.576 8.574 181 2HG PRO 23 1HG PRO 23 -0.090 -2.839 8.783 182 1HD PRO 23 2HD PRO 23 -0.828 -4.888 10.855 183 2HD PRO 23 1HD PRO 23 0.451 -3.661 10.908 184 H GLY 24 H GLY 24 -4.830 -1.632 9.509 185 1HA GLY 24 2HA GLY 24 -6.283 -3.087 11.606 186 2HA GLY 24 1HA GLY 24 -6.830 -1.627 10.801 187 H GLU 25 H GLU 25 -8.255 -1.819 9.167 188 HA GLU 25 HA GLU 25 -9.399 -4.404 8.703 189 1HB GLU 25 2HB GLU 25 -10.002 -1.749 7.395 190 2HB GLU 25 1HB GLU 25 -10.971 -3.206 7.220 191 1HG GLU 25 2HG GLU 25 -10.503 -1.629 9.735 192 2HG GLU 25 1HG GLU 25 -12.002 -1.745 8.814 193 H LEU 26 H LEU 26 -7.592 -2.091 6.729 194 HA LEU 26 HA LEU 26 -7.519 -3.663 4.398 195 1HB LEU 26 2HB LEU 26 -6.891 -1.265 4.486 196 2HB LEU 26 1HB LEU 26 -5.458 -1.689 5.399 197 HG LEU 26 HG LEU 26 -4.623 -2.978 3.462 198 1HD1 LEU 26 1HD1 LEU 26 -5.714 -2.768 1.300 199 2HD1 LEU 26 2HD1 LEU 26 -7.018 -1.833 2.029 200 3HD1 LEU 26 3HD1 LEU 26 -6.799 -3.528 2.466 201 1HD2 LEU 26 1HD2 LEU 26 -5.350 -0.117 2.840 202 2HD2 LEU 26 2HD2 LEU 26 -4.073 -1.055 2.066 203 3HD2 LEU 26 3HD2 LEU 26 -3.955 -0.649 3.778 204 H GLY 27 H GLY 27 -5.631 -3.612 7.320 205 1HA GLY 27 2HA GLY 27 -3.474 -5.222 6.585 206 2HA GLY 27 1HA GLY 27 -4.127 -5.067 8.206 207 H LYS 28 H LYS 28 -6.362 -6.252 8.394 208 HA LYS 28 HA LYS 28 -5.770 -8.975 8.329 209 1HB LYS 28 2HB LYS 28 -8.211 -9.320 8.811 210 2HB LYS 28 1HB LYS 28 -7.395 -8.204 9.895 211 1HG LYS 28 2HG LYS 28 -8.403 -6.326 8.863 212 2HG LYS 28 1HG LYS 28 -8.999 -7.300 7.521 213 1HD LYS 28 2HD LYS 28 -10.798 -6.773 9.069 214 2HD LYS 28 1HD LYS 28 -10.477 -8.508 9.057 215 1HE LYS 28 2HE LYS 28 -10.803 -7.824 11.324 216 2HE LYS 28 1HE LYS 28 -9.096 -8.194 11.107 217 1HZ LYS 28 1HZ LYS 28 -8.628 -5.848 10.931 218 2HZ LYS 28 2HZ LYS 28 -9.443 -6.164 12.377 219 3HZ LYS 28 3HZ LYS 28 -10.270 -5.459 11.078 220 H ARG 29 H ARG 29 -7.516 -6.976 6.024 221 HA ARG 29 HA ARG 29 -8.610 -8.993 4.427 222 1HB ARG 29 2HB ARG 29 -9.231 -6.633 4.210 223 2HB ARG 29 1HB ARG 29 -7.619 -6.251 3.619 224 1HG ARG 29 2HG ARG 29 -8.024 -7.728 1.679 225 2HG ARG 29 1HG ARG 29 -9.673 -7.976 2.255 226 1HD ARG 29 2HD ARG 29 -10.090 -5.569 2.073 227 2HD ARG 29 1HD ARG 29 -8.444 -5.333 1.479 228 HE ARG 29 HE ARG 29 -9.673 -7.237 -0.143 229 1HH1 ARG 29 1HH1 ARG 29 -9.984 -3.825 0.584 230 2HH1 ARG 29 2HH1 ARG 29 -10.665 -3.434 -0.961 231 1HH2 ARG 29 1HH2 ARG 29 -10.564 -6.732 -2.160 232 2HH2 ARG 29 2HH2 ARG 29 -11.002 -5.092 -2.527 233 H ILE 30 H ILE 30 -5.457 -7.374 4.256 234 HA ILE 30 HA ILE 30 -4.604 -8.795 1.935 235 HB ILE 30 HB ILE 30 -2.960 -7.286 3.976 236 1HG1 ILE 30 2HG1 ILE 30 -4.017 -6.401 1.282 237 2HG1 ILE 30 1HG1 ILE 30 -4.703 -5.930 2.832 238 1HG2 ILE 30 1HG2 ILE 30 -1.589 -8.827 2.684 239 2HG2 ILE 30 2HG2 ILE 30 -1.259 -7.162 2.209 240 3HG2 ILE 30 3HG2 ILE 30 -2.260 -8.188 1.183 241 1HD1 ILE 30 1HD1 ILE 30 -3.275 -4.193 1.875 242 2HD1 ILE 30 2HD1 ILE 30 -1.911 -5.309 1.906 243 3HD1 ILE 30 3HD1 ILE 30 -2.654 -4.783 3.416 244 H TYR 31 H TYR 31 -4.154 -9.228 5.413 245 HA TYR 31 HA TYR 31 -2.251 -11.300 5.271 246 1HB TYR 31 2HB TYR 31 -4.294 -10.675 7.408 247 2HB TYR 31 1HB TYR 31 -3.014 -11.866 7.591 248 HD1 TYR 31 1HD TYR 31 -0.794 -10.288 6.225 249 HD2 TYR 31 2HD TYR 31 -3.707 -9.168 9.117 250 HE1 TYR 31 1HE TYR 31 0.722 -8.549 7.069 251 HE2 TYR 31 2HE TYR 31 -2.199 -7.423 9.967 252 HH TYR 31 HH TYR 31 0.616 -6.441 8.312 253 H ASN 32 H ASN 32 -5.629 -11.291 4.666 254 HA ASN 32 HA ASN 32 -5.996 -14.118 5.137 255 1HB ASN 32 2HB ASN 32 -7.777 -11.979 3.974 256 2HB ASN 32 1HB ASN 32 -8.252 -13.669 4.045 257 1HD2 ASN 32 1HD2 ASN 32 -9.395 -11.289 5.294 258 2HD2 ASN 32 2HD2 ASN 32 -9.422 -11.609 6.995 259 H GLU 33 H GLU 33 -5.615 -11.988 2.333 260 HA GLU 33 HA GLU 33 -6.001 -14.340 0.605 261 1HB GLU 33 2HB GLU 33 -6.556 -11.431 0.028 262 2HB GLU 33 1HB GLU 33 -6.748 -12.740 -1.130 263 1HG GLU 33 2HG GLU 33 -8.467 -13.746 0.221 264 2HG GLU 33 1HG GLU 33 -8.220 -12.546 1.486 265 H ILE 34 H ILE 34 -3.605 -12.321 1.695 266 HA ILE 34 HA ILE 34 -2.049 -12.804 -0.755 267 HB ILE 34 HB ILE 34 -1.720 -10.531 1.205 268 1HG1 ILE 34 2HG1 ILE 34 -3.613 -10.190 -0.282 269 2HG1 ILE 34 1HG1 ILE 34 -2.297 -9.120 -0.753 270 1HG2 ILE 34 1HG2 ILE 34 -0.143 -11.162 -1.288 271 2HG2 ILE 34 2HG2 ILE 34 0.443 -11.305 0.369 272 3HG2 ILE 34 3HG2 ILE 34 0.037 -9.719 -0.290 273 1HD1 ILE 34 1HD1 ILE 34 -1.693 -10.698 -2.541 274 2HD1 ILE 34 2HD1 ILE 34 -3.330 -10.059 -2.709 275 3HD1 ILE 34 3HD1 ILE 34 -3.078 -11.693 -2.096 276 H SER 35 H SER 35 -0.145 -13.821 -0.566 277 HA SER 35 HA SER 35 0.500 -14.872 2.079 278 1HB SER 35 2HB SER 35 0.108 -16.422 0.112 279 2HB SER 35 1HB SER 35 1.603 -15.790 -0.580 280 HG SER 35 HG SER 35 1.367 -17.035 1.970 281 H LYS 36 H LYS 36 2.880 -15.271 2.408 282 HA LYS 36 HA LYS 36 4.155 -12.810 2.710 283 1HB LYS 36 2HB LYS 36 5.339 -15.588 2.803 284 2HB LYS 36 1HB LYS 36 6.089 -14.136 3.456 285 1HG LYS 36 2HG LYS 36 4.432 -13.917 5.130 286 2HG LYS 36 1HG LYS 36 3.402 -15.124 4.358 287 1HD LYS 36 2HD LYS 36 5.016 -16.856 4.849 288 2HD LYS 36 1HD LYS 36 6.112 -15.668 5.557 289 1HE LYS 36 2HE LYS 36 4.468 -15.167 7.281 290 2HE LYS 36 1HE LYS 36 3.345 -16.320 6.559 291 1HZ LYS 36 1HZ LYS 36 4.829 -18.103 7.060 292 2HZ LYS 36 2HZ LYS 36 4.583 -17.209 8.479 293 3HZ LYS 36 3HZ LYS 36 6.021 -17.035 7.613 294 H ASP 37 H ASP 37 4.382 -15.191 0.158 295 HA ASP 37 HA ASP 37 6.824 -14.356 -0.966 296 1HB ASP 37 2HB ASP 37 5.758 -16.495 -1.561 297 2HB ASP 37 1HB ASP 37 4.455 -15.620 -2.360 298 H ALA 38 H ALA 38 3.479 -13.549 -1.858 299 HA ALA 38 HA ALA 38 4.189 -11.636 -3.817 300 1HB ALA 38 1HB ALA 38 1.840 -10.951 -3.729 301 2HB ALA 38 2HB ALA 38 1.612 -11.917 -2.272 302 3HB ALA 38 3HB ALA 38 1.998 -12.705 -3.802 303 H TRP 39 H TRP 39 3.463 -11.434 -0.384 304 HA TRP 39 HA TRP 39 3.342 -8.657 -0.086 305 1HB TRP 39 2HB TRP 39 2.676 -10.286 1.642 306 2HB TRP 39 1HB TRP 39 4.360 -10.734 1.864 307 HD1 TRP 39 HD TRP 39 5.625 -9.478 3.706 308 HE1 TRP 39 1HE TRP 39 5.166 -7.394 5.149 309 HE3 TRP 39 3HE TRP 39 1.382 -7.800 1.387 310 HZ2 TRP 39 2HZ TRP 39 3.269 -5.309 5.273 311 HZ3 TRP 39 3HZ TRP 39 0.315 -5.750 2.231 312 HH2 TRP 39 HH TRP 39 1.238 -4.531 4.136 313 H ALA 40 H ALA 40 6.114 -10.852 0.335 314 HA ALA 40 HA ALA 40 7.986 -8.766 0.824 315 1HB ALA 40 1HB ALA 40 9.678 -10.511 0.601 316 2HB ALA 40 2HB ALA 40 8.465 -11.613 -0.053 317 3HB ALA 40 3HB ALA 40 8.337 -11.049 1.613 318 H GLN 41 H GLN 41 6.945 -10.505 -2.034 319 HA GLN 41 HA GLN 41 8.943 -9.627 -3.804 320 1HB GLN 41 2HB GLN 41 7.380 -11.485 -4.274 321 2HB GLN 41 1HB GLN 41 6.065 -10.328 -4.407 322 1HG GLN 41 2HG GLN 41 7.284 -9.256 -6.288 323 2HG GLN 41 1HG GLN 41 8.456 -10.571 -6.213 324 1HE2 GLN 41 1HE2 GLN 41 5.240 -9.646 -7.050 325 2HE2 GLN 41 2HE2 GLN 41 4.818 -11.080 -7.919 326 H TRP 42 H TRP 42 5.653 -8.365 -3.222 327 HA TRP 42 HA TRP 42 5.861 -6.291 -5.113 328 1HB TRP 42 2HB TRP 42 3.687 -7.039 -4.384 329 2HB TRP 42 1HB TRP 42 4.037 -6.577 -2.722 330 HD1 TRP 42 HD TRP 42 2.613 -4.548 -2.143 331 HE1 TRP 42 1HE TRP 42 1.980 -2.338 -3.293 332 HE3 TRP 42 3HE TRP 42 4.904 -5.282 -6.660 333 HZ2 TRP 42 2HZ TRP 42 2.384 -1.069 -5.781 334 HZ3 TRP 42 3HZ TRP 42 4.730 -3.520 -8.368 335 HH2 TRP 42 HH TRP 42 3.497 -1.461 -7.936 336 H GLN 43 H GLN 43 6.326 -6.242 -1.567 337 HA GLN 43 HA GLN 43 6.722 -3.455 -1.429 338 1HB GLN 43 2HB GLN 43 7.640 -5.653 0.417 339 2HB GLN 43 1HB GLN 43 7.889 -3.947 0.752 340 1HG GLN 43 2HG GLN 43 5.315 -3.786 0.388 341 2HG GLN 43 1HG GLN 43 5.361 -5.520 0.719 342 1HE2 GLN 43 1HE2 GLN 43 6.098 -6.230 2.732 343 2HE2 GLN 43 2HE2 GLN 43 6.105 -5.189 4.111 344 H HIS 44 H HIS 44 9.027 -6.124 -1.800 345 HA HIS 44 HA HIS 44 11.334 -4.486 -1.608 346 1HB HIS 44 2HB HIS 44 11.270 -6.987 -1.308 347 2HB HIS 44 1HB HIS 44 11.120 -7.132 -3.055 348 HD1 HIS 44 1HD HIS 44 13.320 -8.023 -3.769 349 HD2 HIS 44 2HD HIS 44 13.710 -4.900 -1.062 350 HE1 HIS 44 1HE HIS 44 15.786 -7.576 -3.609 351 HE2 HIS 44 2HE HIS 44 15.961 -5.521 -2.166 352 H LYS 45 H LYS 45 9.395 -5.629 -4.321 353 HA LYS 45 HA LYS 45 10.989 -4.556 -6.396 354 1HB LYS 45 2HB LYS 45 8.916 -6.213 -6.394 355 2HB LYS 45 1HB LYS 45 8.008 -4.731 -6.628 356 1HG LYS 45 2HG LYS 45 10.247 -5.632 -8.425 357 2HG LYS 45 1HG LYS 45 8.543 -5.969 -8.712 358 1HD LYS 45 2HD LYS 45 8.167 -3.470 -8.648 359 2HD LYS 45 1HD LYS 45 9.923 -3.295 -8.679 360 1HE LYS 45 2HE LYS 45 8.263 -4.725 -10.754 361 2HE LYS 45 1HE LYS 45 8.929 -3.103 -10.921 362 1HZ LYS 45 1HZ LYS 45 11.146 -4.023 -10.808 363 2HZ LYS 45 2HZ LYS 45 10.278 -4.797 -12.029 364 3HZ LYS 45 3HZ LYS 45 10.531 -5.578 -10.557 365 H GLN 46 H GLN 46 8.150 -3.320 -4.671 366 HA GLN 46 HA GLN 46 7.937 -0.867 -5.997 367 1HB GLN 46 2HB GLN 46 6.140 -1.795 -4.616 368 2HB GLN 46 1HB GLN 46 7.130 -1.595 -3.175 369 1HG GLN 46 2HG GLN 46 5.500 0.162 -3.291 370 2HG GLN 46 1HG GLN 46 7.111 0.836 -3.522 371 1HE2 GLN 46 1HE2 GLN 46 6.352 2.648 -4.576 372 2HE2 GLN 46 2HE2 GLN 46 5.698 2.601 -6.175 373 H THR 47 H THR 47 9.819 -1.823 -3.163 374 HA THR 47 HA THR 47 10.725 0.691 -2.353 375 HB THR 47 HB THR 47 12.243 -1.929 -2.282 376 HG1 THR 47 1HG THR 47 10.176 -1.911 -1.180 377 1HG2 THR 47 1HG2 THR 47 13.700 0.021 -1.926 378 2HG2 THR 47 2HG2 THR 47 13.510 -0.926 -0.449 379 3HG2 THR 47 3HG2 THR 47 12.622 0.585 -0.648 380 H MET 48 H MET 48 12.004 -1.530 -4.797 381 HA MET 48 HA MET 48 14.208 0.090 -5.535 382 1HB MET 48 2HB MET 48 14.107 -2.308 -6.030 383 2HB MET 48 1HB MET 48 12.747 -2.038 -7.110 384 1HG MET 48 2HG MET 48 14.111 -0.847 -8.652 385 2HG MET 48 1HG MET 48 15.465 -0.823 -7.524 386 1HE MET 48 1HE MET 48 13.886 -4.726 -9.420 387 2HE MET 48 2HE MET 48 13.122 -3.157 -9.669 388 3HE MET 48 3HE MET 48 13.098 -3.906 -8.073 389 H LEU 49 H LEU 49 10.861 -0.075 -6.620 390 HA LEU 49 HA LEU 49 11.102 1.659 -8.837 391 1HB LEU 49 2HB LEU 49 8.716 1.302 -7.015 392 2HB LEU 49 1HB LEU 49 8.688 1.991 -8.626 393 HG LEU 49 HG LEU 49 9.304 -0.884 -7.930 394 1HD1 LEU 49 1HD1 LEU 49 6.950 0.359 -9.351 395 2HD1 LEU 49 2HD1 LEU 49 6.939 -0.292 -7.712 396 3HD1 LEU 49 3HD1 LEU 49 7.212 -1.364 -9.084 397 1HD2 LEU 49 1HD2 LEU 49 9.093 0.430 -10.633 398 2HD2 LEU 49 2HD2 LEU 49 9.384 -1.280 -10.315 399 3HD2 LEU 49 3HD2 LEU 49 10.595 -0.082 -9.865 400 H ILE 50 H ILE 50 10.203 2.256 -5.467 401 HA ILE 50 HA ILE 50 9.946 5.052 -5.610 402 HB ILE 50 HB ILE 50 10.769 3.332 -3.257 403 1HG1 ILE 50 2HG1 ILE 50 8.038 4.421 -3.970 404 2HG1 ILE 50 1HG1 ILE 50 8.567 2.777 -4.320 405 1HG2 ILE 50 1HG2 ILE 50 11.339 5.679 -2.900 406 2HG2 ILE 50 2HG2 ILE 50 10.010 5.182 -1.855 407 3HG2 ILE 50 3HG2 ILE 50 9.684 6.146 -3.294 408 1HD1 ILE 50 1HD1 ILE 50 8.787 2.309 -1.963 409 2HD1 ILE 50 2HD1 ILE 50 7.174 2.938 -2.302 410 3HD1 ILE 50 3HD1 ILE 50 8.391 3.981 -1.569 411 H ASN 51 H ASN 51 12.707 2.952 -5.094 412 HA ASN 51 HA ASN 51 14.552 4.883 -4.232 413 1HB ASN 51 2HB ASN 51 14.802 2.364 -4.115 414 2HB ASN 51 1HB ASN 51 15.209 2.402 -5.826 415 1HD2 ASN 51 1HD2 ASN 51 16.139 4.800 -3.428 416 2HD2 ASN 51 2HD2 ASN 51 17.833 4.486 -3.514 417 H GLU 52 H GLU 52 13.771 3.662 -7.459 418 HA GLU 52 HA GLU 52 15.733 5.284 -8.767 419 1HB GLU 52 2HB GLU 52 13.466 3.561 -9.726 420 2HB GLU 52 1HB GLU 52 14.384 4.561 -10.839 421 1HG GLU 52 2HG GLU 52 15.456 2.357 -9.095 422 2HG GLU 52 1HG GLU 52 15.254 2.327 -10.848 423 H LYS 53 H LYS 53 12.244 5.500 -8.264 424 HA LYS 53 HA LYS 53 11.913 7.813 -9.891 425 1HB LYS 53 2HB LYS 53 10.197 6.503 -7.796 426 2HB LYS 53 1HB LYS 53 9.701 7.963 -8.640 427 1HG LYS 53 2HG LYS 53 9.652 6.847 -10.730 428 2HG LYS 53 1HG LYS 53 10.470 5.427 -10.067 429 1HD LYS 53 2HD LYS 53 8.552 4.882 -8.728 430 2HD LYS 53 1HD LYS 53 7.750 6.388 -9.179 431 1HE LYS 53 2HE LYS 53 6.909 4.401 -10.396 432 2HE LYS 53 1HE LYS 53 7.528 5.667 -11.450 433 1HZ LYS 53 1HZ LYS 53 9.543 4.431 -11.756 434 2HZ LYS 53 2HZ LYS 53 8.233 3.426 -12.110 435 3HZ LYS 53 3HZ LYS 53 9.057 3.253 -10.647 436 H LYS 54 H LYS 54 12.775 7.247 -6.584 437 HA LYS 54 HA LYS 54 13.347 8.585 -4.851 438 1HB LYS 54 2HB LYS 54 13.955 10.570 -7.060 439 2HB LYS 54 1HB LYS 54 14.531 10.678 -5.401 440 1HG LYS 54 2HG LYS 54 15.779 8.615 -5.674 441 2HG LYS 54 1HG LYS 54 15.169 8.444 -7.319 442 1HD LYS 54 2HD LYS 54 16.295 10.542 -7.930 443 2HD LYS 54 1HD LYS 54 16.924 10.671 -6.285 444 1HE LYS 54 2HE LYS 54 18.145 8.592 -6.567 445 2HE LYS 54 1HE LYS 54 17.470 8.389 -8.182 446 1HZ LYS 54 1HZ LYS 54 19.261 10.596 -7.316 447 2HZ LYS 54 2HZ LYS 54 18.608 10.412 -8.865 448 3HZ LYS 54 3HZ LYS 54 19.708 9.275 -8.272 449 H LEU 55 H LEU 55 10.687 8.434 -5.277 450 HA LEU 55 HA LEU 55 9.583 11.119 -5.258 451 1HB LEU 55 2HB LEU 55 7.388 9.961 -5.203 452 2HB LEU 55 1HB LEU 55 8.374 9.547 -6.588 453 HG LEU 55 HG LEU 55 9.050 7.461 -5.177 454 1HD1 LEU 55 1HD1 LEU 55 6.447 8.218 -3.860 455 2HD1 LEU 55 2HD1 LEU 55 8.030 8.171 -3.080 456 3HD1 LEU 55 3HD1 LEU 55 7.290 6.683 -3.674 457 1HD2 LEU 55 1HD2 LEU 55 7.138 6.231 -6.070 458 2HD2 LEU 55 2HD2 LEU 55 7.771 7.382 -7.248 459 3HD2 LEU 55 3HD2 LEU 55 6.294 7.751 -6.356 460 H ASN 56 H ASN 56 7.983 11.701 -3.573 461 HA ASN 56 HA ASN 56 8.739 10.582 -0.954 462 1HB ASN 56 2HB ASN 56 9.568 12.947 -1.499 463 2HB ASN 56 1HB ASN 56 7.883 13.443 -1.421 464 1HD2 ASN 56 1HD2 ASN 56 10.103 14.284 0.224 465 2HD2 ASN 56 2HD2 ASN 56 9.689 13.889 1.855 466 H MET 57 H MET 57 7.101 10.166 0.479 467 HA MET 57 HA MET 57 4.432 9.980 -0.592 468 1HB MET 57 2HB MET 57 5.768 9.077 1.930 469 2HB MET 57 1HB MET 57 4.013 9.132 1.857 470 1HG MET 57 2HG MET 57 4.804 6.914 1.355 471 2HG MET 57 1HG MET 57 4.053 7.628 -0.069 472 1HE MET 57 1HE MET 57 6.822 5.382 -1.634 473 2HE MET 57 2HE MET 57 5.105 5.778 -1.597 474 3HE MET 57 3HE MET 57 5.865 5.028 -0.194 475 H MET 58 H MET 58 5.981 12.542 0.477 476 HA MET 58 HA MET 58 4.442 13.689 2.489 477 1HB MET 58 2HB MET 58 6.586 14.593 1.713 478 2HB MET 58 1HB MET 58 5.851 15.037 0.178 479 1HG MET 58 2HG MET 58 4.389 16.597 1.303 480 2HG MET 58 1HG MET 58 5.056 16.125 2.862 481 1HE MET 58 1HE MET 58 8.682 17.504 2.718 482 2HE MET 58 2HE MET 58 8.168 15.872 2.296 483 3HE MET 58 3HE MET 58 7.455 16.688 3.687 484 H ASN 59 H ASN 59 3.929 13.573 -0.993 485 HA ASN 59 HA ASN 59 1.528 15.202 -0.760 486 1HB ASN 59 2HB ASN 59 2.959 14.014 -3.134 487 2HB ASN 59 1HB ASN 59 1.413 14.840 -3.271 488 1HD2 ASN 59 1HD2 ASN 59 2.090 16.520 -4.480 489 2HD2 ASN 59 2HD2 ASN 59 3.203 17.731 -3.910 490 H ALA 60 H ALA 60 -0.540 14.488 -1.147 491 HA ALA 60 HA ALA 60 -1.100 11.804 -0.409 492 1HB ALA 60 1HB ALA 60 -3.436 12.411 -0.713 493 2HB ALA 60 2HB ALA 60 -2.955 13.889 -1.548 494 3HB ALA 60 3HB ALA 60 -2.572 13.676 0.161 495 H GLU 61 H GLU 61 -0.715 13.435 -3.416 496 HA GLU 61 HA GLU 61 -2.025 11.823 -5.233 497 1HB GLU 61 2HB GLU 61 0.706 13.096 -5.513 498 2HB GLU 61 1HB GLU 61 -0.316 12.563 -6.842 499 1HG GLU 61 2HG GLU 61 -1.781 14.300 -6.603 500 2HG GLU 61 1HG GLU 61 -1.410 14.521 -4.895 501 H HIS 62 H HIS 62 1.274 11.412 -3.960 502 HA HIS 62 HA HIS 62 1.658 8.964 -5.413 503 1HB HIS 62 2HB HIS 62 3.334 10.228 -3.231 504 2HB HIS 62 1HB HIS 62 3.808 8.820 -4.176 505 HD1 HIS 62 1HD HIS 62 4.431 9.244 -6.700 506 HD2 HIS 62 2HD HIS 62 3.674 12.672 -4.469 507 HE1 HIS 62 1HE HIS 62 5.290 11.159 -8.084 508 HE2 HIS 62 2HE HIS 62 4.740 13.232 -6.755 509 H ARG 63 H ARG 63 0.423 9.852 -2.321 510 HA ARG 63 HA ARG 63 0.851 7.405 -0.958 511 1HB ARG 63 2HB ARG 63 -1.313 9.477 -0.552 512 2HB ARG 63 1HB ARG 63 -0.987 8.141 0.540 513 1HG ARG 63 2HG ARG 63 1.251 9.044 0.963 514 2HG ARG 63 1HG ARG 63 0.898 10.394 -0.118 515 1HD ARG 63 2HD ARG 63 -1.029 10.974 1.347 516 2HD ARG 63 1HD ARG 63 -0.507 9.715 2.463 517 HE ARG 63 HE ARG 63 1.679 11.375 2.030 518 1HH1 ARG 63 1HH1 ARG 63 -1.534 11.608 3.384 519 2HH1 ARG 63 2HH1 ARG 63 -1.108 12.838 4.531 520 1HH2 ARG 63 1HH2 ARG 63 2.252 13.017 3.515 521 2HH2 ARG 63 2HH2 ARG 63 1.056 13.652 4.598 522 H LYS 64 H LYS 64 -1.978 8.685 -2.706 523 HA LYS 64 HA LYS 64 -3.515 6.324 -2.353 524 1HB LYS 64 2HB LYS 64 -5.163 7.333 -3.672 525 2HB LYS 64 1HB LYS 64 -4.352 8.694 -2.910 526 1HG LYS 64 2HG LYS 64 -3.107 9.130 -4.942 527 2HG LYS 64 1HG LYS 64 -3.830 7.714 -5.711 528 1HD LYS 64 2HD LYS 64 -6.077 8.796 -5.294 529 2HD LYS 64 1HD LYS 64 -5.190 10.258 -4.855 530 1HE LYS 64 2HE LYS 64 -5.831 10.436 -7.155 531 2HE LYS 64 1HE LYS 64 -4.089 10.181 -7.083 532 1HZ LYS 64 1HZ LYS 64 -6.118 8.092 -7.665 533 2HZ LYS 64 2HZ LYS 64 -4.447 7.845 -7.611 534 3HZ LYS 64 3HZ LYS 64 -5.117 8.833 -8.809 535 H LEU 65 H LEU 65 -1.251 7.410 -4.789 536 HA LEU 65 HA LEU 65 -1.835 5.514 -6.779 537 1HB LEU 65 2HB LEU 65 -0.405 7.471 -7.162 538 2HB LEU 65 1HB LEU 65 0.808 6.801 -6.088 539 HG LEU 65 HG LEU 65 1.137 4.918 -7.643 540 1HD1 LEU 65 1HD1 LEU 65 -0.822 6.409 -9.380 541 2HD1 LEU 65 2HD1 LEU 65 -1.057 4.819 -8.653 542 3HD1 LEU 65 3HD1 LEU 65 0.170 5.046 -9.899 543 1HD2 LEU 65 1HD2 LEU 65 2.253 6.194 -9.410 544 2HD2 LEU 65 2HD2 LEU 65 2.560 6.871 -7.810 545 3HD2 LEU 65 3HD2 LEU 65 1.401 7.646 -8.891 546 H LEU 66 H LEU 66 0.438 5.433 -4.060 547 HA LEU 66 HA LEU 66 1.507 2.891 -4.519 548 1HB LEU 66 2HB LEU 66 2.469 4.455 -2.915 549 2HB LEU 66 1HB LEU 66 1.036 4.342 -1.913 550 HG LEU 66 HG LEU 66 1.548 1.947 -1.507 551 1HD1 LEU 66 1HD1 LEU 66 2.816 1.433 -3.489 552 2HD1 LEU 66 2HD1 LEU 66 3.811 1.135 -2.065 553 3HD1 LEU 66 3HD1 LEU 66 4.067 2.587 -3.032 554 1HD2 LEU 66 1HD2 LEU 66 3.732 3.895 -0.786 555 2HD2 LEU 66 2HD2 LEU 66 3.443 2.341 -0.003 556 3HD2 LEU 66 3HD2 LEU 66 2.234 3.623 0.103 557 H GLU 67 H GLU 67 -1.305 3.902 -2.622 558 HA GLU 67 HA GLU 67 -2.049 1.373 -1.664 559 1HB GLU 67 2HB GLU 67 -2.937 3.437 -0.726 560 2HB GLU 67 1HB GLU 67 -3.720 3.822 -2.251 561 1HG GLU 67 2HG GLU 67 -5.199 1.909 -1.999 562 2HG GLU 67 1HG GLU 67 -4.391 1.474 -0.494 563 H GLN 68 H GLN 68 -3.170 3.183 -4.504 564 HA GLN 68 HA GLN 68 -5.002 1.291 -5.444 565 1HB GLN 68 2HB GLN 68 -3.463 3.505 -6.762 566 2HB GLN 68 1HB GLN 68 -4.513 2.454 -7.702 567 1HG GLN 68 2HG GLN 68 -6.417 3.089 -6.355 568 2HG GLN 68 1HG GLN 68 -5.383 4.074 -5.321 569 1HE2 GLN 68 1HE2 GLN 68 -7.711 4.767 -6.959 570 2HE2 GLN 68 2HE2 GLN 68 -7.190 6.038 -8.003 571 H GLU 69 H GLU 69 -1.596 1.794 -6.462 572 HA GLU 69 HA GLU 69 -1.627 -0.380 -8.275 573 1HB GLU 69 2HB GLU 69 0.701 0.997 -6.937 574 2HB GLU 69 1HB GLU 69 0.863 -0.203 -8.212 575 1HG GLU 69 2HG GLU 69 -0.730 1.402 -9.519 576 2HG GLU 69 1HG GLU 69 -0.149 2.594 -8.357 577 H MET 70 H MET 70 -0.996 -0.155 -4.860 578 HA MET 70 HA MET 70 0.248 -2.637 -4.451 579 1HB MET 70 2HB MET 70 0.060 -0.843 -2.748 580 2HB MET 70 1HB MET 70 -1.656 -1.189 -2.600 581 1HG MET 70 2HG MET 70 -1.161 -3.409 -1.771 582 2HG MET 70 1HG MET 70 0.567 -3.121 -1.986 583 1HE MET 70 1HE MET 70 -0.582 -4.156 0.726 584 2HE MET 70 2HE MET 70 0.217 -3.116 1.904 585 3HE MET 70 3HE MET 70 1.121 -3.752 0.529 586 H VAL 71 H VAL 71 -3.186 -1.742 -4.258 587 HA VAL 71 HA VAL 71 -4.144 -4.374 -3.856 588 HB VAL 71 HB VAL 71 -5.605 -2.006 -5.051 589 1HG1 VAL 71 1HG1 VAL 71 -6.677 -4.524 -3.777 590 2HG1 VAL 71 2HG1 VAL 71 -6.750 -4.117 -5.489 591 3HG1 VAL 71 3HG1 VAL 71 -7.643 -3.149 -4.316 592 1HG2 VAL 71 1HG2 VAL 71 -4.704 -1.479 -2.858 593 2HG2 VAL 71 2HG2 VAL 71 -5.416 -2.949 -2.192 594 3HG2 VAL 71 3HG2 VAL 71 -6.458 -1.651 -2.776 595 H SER 72 H SER 72 -3.456 -2.477 -6.721 596 HA SER 72 HA SER 72 -4.749 -4.219 -8.558 597 1HB SER 72 2HB SER 72 -4.296 -1.842 -9.046 598 2HB SER 72 1HB SER 72 -2.568 -2.186 -9.066 599 HG SER 72 HG SER 72 -3.260 -3.840 -10.744 600 H PHE 73 H PHE 73 -1.738 -4.389 -6.923 601 HA PHE 73 HA PHE 73 -0.679 -6.246 -8.920 602 1HB PHE 73 2HB PHE 73 0.797 -4.428 -8.045 603 2HB PHE 73 1HB PHE 73 0.699 -5.174 -6.452 604 HD1 PHE 73 1HD PHE 73 1.970 -5.548 -9.873 605 HD2 PHE 73 2HD PHE 73 1.940 -7.149 -5.930 606 HE1 PHE 73 1HE PHE 73 3.867 -7.000 -10.451 607 HE2 PHE 73 2HE PHE 73 3.839 -8.602 -6.503 608 HZ PHE 73 HZ PHE 73 4.807 -8.530 -8.769 609 H LEU 74 H LEU 74 -1.414 -6.085 -5.447 610 HA LEU 74 HA LEU 74 -0.706 -8.809 -4.989 611 1HB LEU 74 2HB LEU 74 -2.270 -6.842 -3.328 612 2HB LEU 74 1HB LEU 74 -1.832 -8.450 -2.784 613 HG LEU 74 HG LEU 74 0.138 -6.289 -3.542 614 1HD1 LEU 74 1HD1 LEU 74 0.600 -6.162 -1.143 615 2HD1 LEU 74 2HD1 LEU 74 -0.706 -7.305 -0.832 616 3HD1 LEU 74 3HD1 LEU 74 -1.065 -5.718 -1.510 617 1HD2 LEU 74 1HD2 LEU 74 1.781 -7.798 -2.475 618 2HD2 LEU 74 2HD2 LEU 74 1.058 -8.488 -3.927 619 3HD2 LEU 74 3HD2 LEU 74 0.525 -9.029 -2.335 620 H PHE 75 H PHE 75 -3.824 -7.115 -5.268 621 HA PHE 75 HA PHE 75 -5.202 -9.691 -5.239 622 1HB PHE 75 2HB PHE 75 -6.273 -6.862 -5.244 623 2HB PHE 75 1HB PHE 75 -7.277 -8.307 -5.204 624 HD1 PHE 75 1HD PHE 75 -4.996 -6.170 -3.308 625 HD2 PHE 75 2HD PHE 75 -7.444 -9.651 -3.200 626 HE1 PHE 75 1HE PHE 75 -4.848 -6.193 -0.853 627 HE2 PHE 75 2HE PHE 75 -7.299 -9.677 -0.746 628 HZ PHE 75 HZ PHE 75 -5.999 -7.946 0.432 629 H GLU 76 H GLU 76 -4.594 -6.934 -7.309 630 HA GLU 76 HA GLU 76 -4.518 -6.687 -9.553 631 1HB GLU 76 2HB GLU 76 -5.092 -9.649 -9.635 632 2HB GLU 76 1HB GLU 76 -4.750 -8.668 -11.052 633 1HG GLU 76 2HG GLU 76 -2.568 -8.060 -9.946 634 2HG GLU 76 1HG GLU 76 -2.919 -9.328 -8.772 635 H GLY 77 H GLY 77 -7.241 -8.729 -8.545 636 1HA GLY 77 2HA GLY 77 -8.921 -7.816 -10.689 637 2HA GLY 77 1HA GLY 77 -9.402 -8.834 -9.340 638 H LYS 78 H LYS 78 -8.321 -5.478 -9.852 639 HA LYS 78 HA LYS 78 -10.404 -4.620 -7.976 640 1HB LYS 78 2HB LYS 78 -9.135 -2.405 -8.069 641 2HB LYS 78 1HB LYS 78 -8.325 -3.744 -7.273 642 1HG LYS 78 2HG LYS 78 -6.702 -2.625 -8.577 643 2HG LYS 78 1HG LYS 78 -7.064 -4.133 -9.410 644 1HD LYS 78 2HD LYS 78 -8.548 -2.917 -10.943 645 2HD LYS 78 1HD LYS 78 -8.169 -1.413 -10.102 646 1HE LYS 78 2HE LYS 78 -5.846 -1.594 -10.752 647 2HE LYS 78 1HE LYS 78 -6.150 -3.158 -11.509 648 1HZ LYS 78 1HZ LYS 78 -7.601 -2.071 -13.096 649 2HZ LYS 78 2HZ LYS 78 -6.065 -1.370 -13.135 650 3HZ LYS 78 3HZ LYS 78 -7.337 -0.570 -12.362 651 H ASP 79 H ASP 79 -11.724 -2.764 -8.538 652 HA ASP 79 HA ASP 79 -11.985 -2.394 -11.452 653 1HB ASP 79 2HB ASP 79 -14.298 -1.858 -11.141 654 2HB ASP 79 1HB ASP 79 -13.986 -3.329 -10.228 655 H VAL 80 H VAL 80 -10.549 -1.066 -8.938 656 HA VAL 80 HA VAL 80 -11.315 1.678 -9.167 657 HB VAL 80 HB VAL 80 -8.778 0.507 -8.004 658 1HG1 VAL 80 1HG1 VAL 80 -10.088 3.191 -7.568 659 2HG1 VAL 80 2HG1 VAL 80 -8.620 2.896 -8.495 660 3HG1 VAL 80 3HG1 VAL 80 -8.636 2.605 -6.755 661 1HG2 VAL 80 1HG2 VAL 80 -9.919 0.704 -5.829 662 2HG2 VAL 80 2HG2 VAL 80 -10.716 -0.444 -6.905 663 3HG2 VAL 80 3HG2 VAL 80 -11.402 1.163 -6.668 664 H HIS 81 H HIS 81 -10.771 3.000 -10.751 665 HA HIS 81 HA HIS 81 -8.867 2.199 -12.757 666 1HB HIS 81 2HB HIS 81 -10.693 4.561 -12.418 667 2HB HIS 81 1HB HIS 81 -9.485 4.521 -13.696 668 HD1 HIS 81 1HD HIS 81 -10.221 3.534 -15.815 669 HD2 HIS 81 2HD HIS 81 -12.527 2.218 -12.609 670 HE1 HIS 81 1HE HIS 81 -12.032 2.097 -16.817 671 HE2 HIS 81 2HE HIS 81 -13.516 1.476 -14.879 672 H ILE 82 H ILE 82 -6.767 2.421 -12.356 673 HA ILE 82 HA ILE 82 -5.828 4.716 -10.814 674 HB ILE 82 HB ILE 82 -4.083 2.593 -12.048 675 1HG1 ILE 82 2HG1 ILE 82 -5.468 2.465 -9.360 676 2HG1 ILE 82 1HG1 ILE 82 -5.860 1.467 -10.753 677 1HG2 ILE 82 1HG2 ILE 82 -3.778 4.362 -9.623 678 2HG2 ILE 82 2HG2 ILE 82 -2.949 4.548 -11.168 679 3HG2 ILE 82 3HG2 ILE 82 -2.614 3.147 -10.148 680 1HD1 ILE 82 1HD1 ILE 82 -3.226 1.468 -9.305 681 2HD1 ILE 82 2HD1 ILE 82 -3.673 0.435 -10.662 682 3HD1 ILE 82 3HD1 ILE 82 -4.505 0.271 -9.115 683 H GLU 83 H GLU 83 -6.331 6.329 -12.314 684 HA GLU 83 HA GLU 83 -4.533 6.481 -14.615 685 1HB GLU 83 2HB GLU 83 -7.525 6.931 -14.757 686 2HB GLU 83 1HB GLU 83 -6.392 7.250 -16.060 687 1HG GLU 83 2HG GLU 83 -5.854 4.886 -16.202 688 2HG GLU 83 1HG GLU 83 -6.926 4.546 -14.846 689 H GLY 84 H GLY 84 -7.091 8.161 -12.809 690 1HA GLY 84 2HA GLY 84 -5.730 10.693 -13.334 691 2HA GLY 84 1HA GLY 84 -7.367 10.507 -12.724 692 H TYR 85 H TYR 85 -4.731 11.861 -11.836 693 HA TYR 85 HA TYR 85 -4.683 10.842 -9.096 694 1HB TYR 85 2HB TYR 85 -2.787 12.428 -8.770 695 2HB TYR 85 1HB TYR 85 -2.494 11.244 -10.035 696 HD1 TYR 85 1HD TYR 85 -2.325 11.914 -12.350 697 HD2 TYR 85 2HD TYR 85 -3.088 14.784 -9.306 698 HE1 TYR 85 1HE TYR 85 -1.762 13.719 -13.922 699 HE2 TYR 85 2HE TYR 85 -2.531 16.599 -10.867 700 HH TYR 85 HH TYR 85 -1.221 16.918 -12.931 701 H THR 86 H THR 86 -6.366 12.979 -10.933 702 HA THR 86 HA THR 86 -6.781 15.057 -8.992 703 HB THR 86 HB THR 86 -8.358 14.354 -11.475 704 HG1 THR 86 1HG THR 86 -6.205 16.165 -10.998 705 1HG2 THR 86 1HG2 THR 86 -9.212 16.648 -11.335 706 2HG2 THR 86 2HG2 THR 86 -8.340 16.880 -9.820 707 3HG2 THR 86 3HG2 THR 86 -9.657 15.711 -9.909 708 HA PRO 87 HA PRO 87 -9.655 12.496 -6.674 709 1HB PRO 87 2HB PRO 87 -10.162 14.912 -5.098 710 2HB PRO 87 1HB PRO 87 -9.458 13.373 -4.590 711 1HG PRO 87 2HG PRO 87 -7.992 15.630 -4.790 712 2HG PRO 87 1HG PRO 87 -7.317 14.026 -5.122 713 1HD PRO 87 2HD PRO 87 -8.243 16.125 -7.047 714 2HD PRO 87 1HD PRO 87 -6.816 15.071 -7.126 715 H GLU 88 H GLU 88 -11.299 12.261 -8.169 716 HA GLU 88 HA GLU 88 -13.305 14.359 -8.401 717 1HB GLU 88 2HB GLU 88 -12.671 12.986 -10.380 718 2HB GLU 88 1HB GLU 88 -13.275 11.557 -9.553 719 1HG GLU 88 2HG GLU 88 -14.898 12.324 -11.150 720 2HG GLU 88 1HG GLU 88 -15.519 12.541 -9.514 721 H ASP 89 H ASP 89 -13.934 14.423 -6.204 722 HA ASP 89 HA ASP 89 -15.099 11.961 -5.110 723 1HB ASP 89 2HB ASP 89 -13.255 13.406 -3.919 724 2HB ASP 89 1HB ASP 89 -14.622 14.422 -3.472 725 H LYS 90 H LYS 90 -17.156 12.066 -4.041 726 HA LYS 90 HA LYS 90 -18.864 14.111 -5.287 727 1HB LYS 90 2HB LYS 90 -19.541 11.264 -4.522 728 2HB LYS 90 1HB LYS 90 -20.696 12.428 -5.146 729 1HG LYS 90 2HG LYS 90 -20.131 11.086 -6.973 730 2HG LYS 90 1HG LYS 90 -19.208 12.570 -7.205 731 1HD LYS 90 2HD LYS 90 -17.230 11.469 -6.238 732 2HD LYS 90 1HD LYS 90 -18.162 9.981 -6.056 733 1HE LYS 90 2HE LYS 90 -18.475 9.869 -8.469 734 2HE LYS 90 1HE LYS 90 -17.588 11.381 -8.666 735 1HZ LYS 90 1HZ LYS 90 -16.187 9.462 -9.109 736 2HZ LYS 90 2HZ LYS 90 -16.476 8.864 -7.555 737 3HZ LYS 90 3HZ LYS 90 -15.623 10.311 -7.756 738 H LYS 91 H LYS 91 -18.967 11.873 -2.525 739 HA LYS 91 HA LYS 91 -20.401 13.936 -0.999 740 1HB LYS 91 2HB LYS 91 -20.338 10.930 -0.657 741 2HB LYS 91 1HB LYS 91 -21.163 12.035 0.432 742 1HG LYS 91 2HG LYS 91 -22.692 12.696 -1.283 743 2HG LYS 91 1HG LYS 91 -21.785 11.799 -2.502 744 1HD LYS 91 2HD LYS 91 -23.150 10.543 -0.120 745 2HD LYS 91 1HD LYS 91 -23.854 10.646 -1.733 746 1HE LYS 91 2HE LYS 91 -21.953 9.368 -2.627 747 2HE LYS 91 1HE LYS 91 -21.296 9.229 -1.001 748 1HZ LYS 91 1HZ LYS 91 -23.928 8.171 -1.857 749 2HZ LYS 91 2HZ LYS 91 -23.224 7.979 -0.333 750 3HZ LYS 91 3HZ LYS 91 -22.522 7.248 -1.687 Start of MODEL 4 1 1H MET 1 1HT MET 1 -2.737 -26.692 10.515 2 2H MET 1 2HT MET 1 -2.216 -28.007 11.436 3 3H MET 1 3HT MET 1 -1.260 -27.439 10.168 4 HA MET 1 HA MET 1 -1.909 -26.002 12.667 5 1HB MET 1 2HB MET 1 0.710 -27.130 11.652 6 2HB MET 1 1HB MET 1 0.504 -26.197 13.126 7 1HG MET 1 2HG MET 1 -0.682 -28.899 12.549 8 2HG MET 1 1HG MET 1 0.675 -28.557 13.616 9 1HE MET 1 1HE MET 1 0.475 -27.247 15.903 10 2HE MET 1 2HE MET 1 -1.029 -26.566 16.517 11 3HE MET 1 3HE MET 1 -0.276 -25.880 15.079 12 H SER 2 H SER 2 -0.613 -25.904 9.416 13 HA SER 2 HA SER 2 0.461 -23.256 9.682 14 1HB SER 2 2HB SER 2 -0.143 -24.803 7.152 15 2HB SER 2 1HB SER 2 0.966 -23.441 7.328 16 HG SER 2 HG SER 2 2.229 -24.763 8.724 17 H ARG 3 H ARG 3 -0.556 -21.370 9.291 18 HA ARG 3 HA ARG 3 -3.402 -21.413 8.783 19 1HB ARG 3 2HB ARG 3 -2.525 -19.862 10.448 20 2HB ARG 3 1HB ARG 3 -1.462 -19.138 9.254 21 1HG ARG 3 2HG ARG 3 -3.335 -17.685 9.674 22 2HG ARG 3 1HG ARG 3 -3.426 -18.308 8.028 23 1HD ARG 3 2HD ARG 3 -4.899 -19.643 10.272 24 2HD ARG 3 1HD ARG 3 -5.575 -18.234 9.459 25 HE ARG 3 HE ARG 3 -4.992 -19.855 7.397 26 1HH1 ARG 3 1HH1 ARG 3 -6.744 -20.376 10.382 27 2HH1 ARG 3 2HH1 ARG 3 -7.765 -21.608 9.712 28 1HH2 ARG 3 1HH2 ARG 3 -6.354 -21.452 6.506 29 2HH2 ARG 3 2HH2 ARG 3 -7.542 -22.223 7.512 30 H THR 4 H THR 4 -3.622 -22.118 6.694 31 HA THR 4 HA THR 4 -2.333 -20.522 4.602 32 HB THR 4 HB THR 4 -2.975 -22.390 3.077 33 HG1 THR 4 1HG THR 4 -4.320 -23.829 3.795 34 1HG2 THR 4 1HG2 THR 4 -0.739 -22.325 4.072 35 2HG2 THR 4 2HG2 THR 4 -1.306 -23.987 3.899 36 3HG2 THR 4 3HG2 THR 4 -1.335 -23.204 5.479 37 H ILE 5 H ILE 5 -3.530 -19.778 2.839 38 HA ILE 5 HA ILE 5 -6.450 -19.746 3.087 39 HB ILE 5 HB ILE 5 -6.370 -17.280 2.428 40 1HG1 ILE 5 2HG1 ILE 5 -4.314 -16.115 3.449 41 2HG1 ILE 5 1HG1 ILE 5 -3.528 -17.686 3.345 42 1HG2 ILE 5 1HG2 ILE 5 -6.196 -16.538 4.763 43 2HG2 ILE 5 2HG2 ILE 5 -5.481 -18.092 5.193 44 3HG2 ILE 5 3HG2 ILE 5 -7.141 -18.017 4.601 45 1HD1 ILE 5 1HD1 ILE 5 -4.651 -16.138 1.024 46 2HD1 ILE 5 2HD1 ILE 5 -3.819 -17.690 0.937 47 3HD1 ILE 5 3HD1 ILE 5 -2.948 -16.250 1.467 48 H PHE 6 H PHE 6 -7.401 -18.666 1.036 49 HA PHE 6 HA PHE 6 -5.981 -19.751 -1.265 50 1HB PHE 6 2HB PHE 6 -8.769 -18.601 -1.003 51 2HB PHE 6 1HB PHE 6 -8.089 -19.245 -2.496 52 HD1 PHE 6 1HD PHE 6 -7.432 -21.667 -2.581 53 HD2 PHE 6 2HD PHE 6 -9.735 -20.023 0.598 54 HE1 PHE 6 1HE PHE 6 -8.168 -23.928 -1.952 55 HE2 PHE 6 2HE PHE 6 -10.470 -22.284 1.237 56 HZ PHE 6 HZ PHE 6 -9.686 -24.239 -0.038 57 H CYS 7 H CYS 7 -4.397 -18.412 -1.824 58 HA CYS 7 HA CYS 7 -4.577 -15.575 -1.636 59 1HB CYS 7 2HB CYS 7 -2.437 -16.758 -1.421 60 2HB CYS 7 1HB CYS 7 -2.572 -17.323 -3.081 61 HG CYS 7 HG CYS 7 -2.548 -13.983 -2.443 62 H THR 8 H THR 8 -5.030 -14.077 -3.170 63 HA THR 8 HA THR 8 -6.611 -14.805 -5.387 64 HB THR 8 HB THR 8 -6.097 -12.313 -6.027 65 HG1 THR 8 1HG THR 8 -5.180 -11.136 -4.386 66 1HG2 THR 8 1HG2 THR 8 -7.496 -13.014 -3.441 67 2HG2 THR 8 2HG2 THR 8 -8.209 -13.109 -5.051 68 3HG2 THR 8 3HG2 THR 8 -7.737 -11.545 -4.385 69 H TYR 9 H TYR 9 -3.264 -13.701 -5.131 70 HA TYR 9 HA TYR 9 -2.806 -13.583 -7.930 71 1HB TYR 9 2HB TYR 9 -1.529 -12.236 -6.330 72 2HB TYR 9 1HB TYR 9 -0.838 -13.695 -5.633 73 HD1 TYR 9 1HD TYR 9 -1.115 -11.947 -8.929 74 HD2 TYR 9 2HD TYR 9 1.259 -14.362 -6.351 75 HE1 TYR 9 1HE TYR 9 0.757 -11.796 -10.519 76 HE2 TYR 9 2HE TYR 9 3.132 -14.222 -7.936 77 HH TYR 9 HH TYR 9 3.539 -13.784 -10.264 78 H LEU 10 H LEU 10 -2.452 -16.133 -5.551 79 HA LEU 10 HA LEU 10 -0.948 -17.755 -7.465 80 1HB LEU 10 2HB LEU 10 -1.630 -18.299 -4.576 81 2HB LEU 10 1HB LEU 10 -0.610 -19.303 -5.587 82 HG LEU 10 HG LEU 10 0.008 -16.453 -4.794 83 1HD1 LEU 10 1HD1 LEU 10 1.735 -17.435 -3.376 84 2HD1 LEU 10 2HD1 LEU 10 1.182 -19.052 -3.812 85 3HD1 LEU 10 3HD1 LEU 10 0.128 -17.978 -2.893 86 1HD2 LEU 10 1HD2 LEU 10 2.236 -16.959 -5.728 87 2HD2 LEU 10 2HD2 LEU 10 0.961 -17.006 -6.945 88 3HD2 LEU 10 3HD2 LEU 10 1.620 -18.510 -6.302 89 H GLN 11 H GLN 11 -4.108 -17.427 -6.120 90 HA GLN 11 HA GLN 11 -6.083 -18.489 -6.462 91 1HB GLN 11 2HB GLN 11 -4.549 -19.540 -8.828 92 2HB GLN 11 1HB GLN 11 -6.218 -20.001 -8.525 93 1HG GLN 11 2HG GLN 11 -5.237 -17.181 -8.920 94 2HG GLN 11 1HG GLN 11 -6.018 -18.176 -10.148 95 1HE2 GLN 11 1HE2 GLN 11 -6.448 -16.277 -7.299 96 2HE2 GLN 11 2HE2 GLN 11 -8.178 -16.279 -7.302 97 H ARG 12 H ARG 12 -3.878 -19.729 -4.867 98 HA ARG 12 HA ARG 12 -4.996 -22.434 -4.706 99 1HB ARG 12 2HB ARG 12 -2.062 -21.717 -4.744 100 2HB ARG 12 1HB ARG 12 -2.673 -23.271 -4.203 101 1HG ARG 12 2HG ARG 12 -3.600 -23.698 -6.407 102 2HG ARG 12 1HG ARG 12 -3.032 -22.120 -6.959 103 1HD ARG 12 2HD ARG 12 -0.755 -22.758 -6.684 104 2HD ARG 12 1HD ARG 12 -1.209 -24.241 -5.846 105 HE ARG 12 HE ARG 12 -2.313 -24.144 -8.464 106 1HH1 ARG 12 1HH1 ARG 12 0.672 -24.724 -6.740 107 2HH1 ARG 12 2HH1 ARG 12 1.287 -25.828 -7.927 108 1HH2 ARG 12 1HH2 ARG 12 -1.499 -25.586 -10.032 109 2HH2 ARG 12 2HH2 ARG 12 0.059 -26.315 -9.796 110 H ASP 13 H ASP 13 -4.324 -23.528 -2.667 111 HA ASP 13 HA ASP 13 -4.636 -21.764 -0.405 112 1HB ASP 13 2HB ASP 13 -5.796 -23.902 -0.398 113 2HB ASP 13 1HB ASP 13 -4.277 -24.763 -0.608 114 H ALA 14 H ALA 14 -2.936 -20.645 0.232 115 HA ALA 14 HA ALA 14 -0.331 -21.986 0.498 116 1HB ALA 14 1HB ALA 14 -0.309 -20.728 -1.601 117 2HB ALA 14 2HB ALA 14 0.795 -20.023 -0.422 118 3HB ALA 14 3HB ALA 14 -0.766 -19.264 -0.728 119 H GLU 15 H GLU 15 1.205 -20.242 1.665 120 HA GLU 15 HA GLU 15 0.349 -19.993 4.284 121 1HB GLU 15 2HB GLU 15 2.482 -18.619 2.692 122 2HB GLU 15 1HB GLU 15 2.193 -18.155 4.360 123 1HG GLU 15 2HG GLU 15 2.626 -21.022 3.665 124 2HG GLU 15 1HG GLU 15 4.001 -19.923 3.795 125 H GLY 16 H GLY 16 -0.945 -18.633 5.331 126 1HA GLY 16 2HA GLY 16 -2.068 -16.387 3.847 127 2HA GLY 16 1HA GLY 16 -2.698 -17.068 5.340 128 H GLN 17 H GLN 17 0.514 -15.907 4.470 129 HA GLN 17 HA GLN 17 1.915 -14.411 5.423 130 1HB GLN 17 2HB GLN 17 -0.681 -13.146 5.248 131 2HB GLN 17 1HB GLN 17 0.228 -12.505 6.600 132 1HG GLN 17 2HG GLN 17 1.332 -12.682 3.813 133 2HG GLN 17 1HG GLN 17 0.454 -11.283 4.418 134 1HE2 GLN 17 1HE2 GLN 17 2.657 -13.178 6.399 135 2HE2 GLN 17 2HE2 GLN 17 3.858 -11.953 6.545 136 H ASP 18 H ASP 18 1.328 -12.752 7.762 137 HA ASP 18 HA ASP 18 1.418 -14.826 9.839 138 1HB ASP 18 2HB ASP 18 2.725 -12.092 9.788 139 2HB ASP 18 1HB ASP 18 2.753 -13.190 11.162 140 H PHE 19 H PHE 19 1.116 -13.198 12.052 141 HA PHE 19 HA PHE 19 -1.704 -12.507 11.774 142 1HB PHE 19 2HB PHE 19 0.031 -12.926 14.214 143 2HB PHE 19 1HB PHE 19 -1.667 -12.459 14.280 144 HD1 PHE 19 1HD PHE 19 -3.411 -14.031 13.763 145 HD2 PHE 19 2HD PHE 19 0.686 -15.155 13.501 146 HE1 PHE 19 1HE PHE 19 -4.073 -16.395 13.637 147 HE2 PHE 19 2HE PHE 19 0.030 -17.521 13.378 148 HZ PHE 19 HZ PHE 19 -2.352 -18.144 13.444 149 H GLN 20 H GLN 20 -2.241 -10.680 13.581 150 HA GLN 20 HA GLN 20 -1.343 -8.253 12.509 151 1HB GLN 20 2HB GLN 20 -2.987 -9.053 14.843 152 2HB GLN 20 1HB GLN 20 -2.276 -7.446 14.902 153 1HG GLN 20 2HG GLN 20 -4.520 -7.385 13.983 154 2HG GLN 20 1HG GLN 20 -3.329 -6.884 12.788 155 1HE2 GLN 20 1HE2 GLN 20 -4.548 -7.356 11.026 156 2HE2 GLN 20 2HE2 GLN 20 -4.959 -8.967 10.565 157 H LEU 21 H LEU 21 0.826 -8.042 12.495 158 HA LEU 21 HA LEU 21 2.152 -7.881 15.109 159 1HB LEU 21 2HB LEU 21 4.268 -7.947 13.594 160 2HB LEU 21 1HB LEU 21 3.406 -9.423 13.963 161 HG LEU 21 HG LEU 21 2.255 -9.212 11.734 162 1HD1 LEU 21 1HD1 LEU 21 4.356 -7.106 11.254 163 2HD1 LEU 21 2HD1 LEU 21 2.615 -6.834 11.349 164 3HD1 LEU 21 3HD1 LEU 21 3.285 -7.806 10.039 165 1HD2 LEU 21 1HD2 LEU 21 4.179 -10.045 10.478 166 2HD2 LEU 21 2HD2 LEU 21 4.103 -10.743 12.095 167 3HD2 LEU 21 3HD2 LEU 21 5.257 -9.457 11.743 168 H TYR 22 H TYR 22 0.747 -6.002 12.845 169 HA TYR 22 HA TYR 22 1.661 -3.587 13.914 170 1HB TYR 22 2HB TYR 22 3.719 -3.985 12.693 171 2HB TYR 22 1HB TYR 22 2.832 -4.258 11.205 172 HD1 TYR 22 1HD TYR 22 2.220 -2.455 9.805 173 HD2 TYR 22 2HD TYR 22 3.733 -1.676 13.703 174 HE1 TYR 22 1HE TYR 22 2.412 -0.071 9.247 175 HE2 TYR 22 2HE TYR 22 3.925 0.714 13.157 176 HH TYR 22 HH TYR 22 4.155 2.126 11.167 177 HA PRO 23 HA PRO 23 -1.466 -2.656 10.509 178 1HB PRO 23 2HB PRO 23 -2.038 -4.331 8.519 179 2HB PRO 23 1HB PRO 23 -0.566 -3.354 8.487 180 1HG PRO 23 2HG PRO 23 -0.907 -6.244 9.154 181 2HG PRO 23 1HG PRO 23 0.393 -5.447 8.251 182 1HD PRO 23 2HD PRO 23 0.496 -6.177 10.939 183 2HD PRO 23 1HD PRO 23 1.565 -5.009 10.144 184 H GLY 24 H GLY 24 -3.676 -2.796 10.674 185 1HA GLY 24 2HA GLY 24 -4.651 -5.092 12.233 186 2HA GLY 24 1HA GLY 24 -5.354 -3.482 12.241 187 H GLU 25 H GLU 25 -6.852 -2.914 10.695 188 HA GLU 25 HA GLU 25 -8.310 -5.122 9.648 189 1HB GLU 25 2HB GLU 25 -9.871 -3.420 8.785 190 2HB GLU 25 1HB GLU 25 -9.503 -3.216 10.489 191 1HG GLU 25 2HG GLU 25 -7.957 -1.408 9.939 192 2HG GLU 25 1HG GLU 25 -8.325 -1.622 8.226 193 H LEU 26 H LEU 26 -6.277 -2.632 8.159 194 HA LEU 26 HA LEU 26 -6.848 -3.439 5.490 195 1HB LEU 26 2HB LEU 26 -5.922 -1.221 6.040 196 2HB LEU 26 1HB LEU 26 -4.440 -1.983 6.589 197 HG LEU 26 HG LEU 26 -4.035 -2.810 4.295 198 1HD1 LEU 26 1HD1 LEU 26 -5.367 -1.906 2.445 199 2HD1 LEU 26 2HD1 LEU 26 -6.470 -1.172 3.608 200 3HD1 LEU 26 3HD1 LEU 26 -6.330 -2.926 3.512 201 1HD2 LEU 26 1HD2 LEU 26 -3.049 -0.702 5.051 202 2HD2 LEU 26 2HD2 LEU 26 -4.467 0.169 4.473 203 3HD2 LEU 26 3HD2 LEU 26 -3.419 -0.664 3.328 204 H GLY 27 H GLY 27 -4.415 -4.254 7.878 205 1HA GLY 27 2HA GLY 27 -2.743 -5.854 6.309 206 2HA GLY 27 1HA GLY 27 -2.964 -6.015 8.045 207 H LYS 28 H LYS 28 -5.486 -6.856 8.375 208 HA LYS 28 HA LYS 28 -5.229 -9.584 7.715 209 1HB LYS 28 2HB LYS 28 -7.477 -9.866 8.686 210 2HB LYS 28 1HB LYS 28 -6.411 -8.928 9.716 211 1HG LYS 28 2HG LYS 28 -7.494 -6.875 9.004 212 2HG LYS 28 1HG LYS 28 -8.538 -7.790 7.916 213 1HD LYS 28 2HD LYS 28 -9.706 -7.237 9.988 214 2HD LYS 28 1HD LYS 28 -9.491 -8.980 9.833 215 1HE LYS 28 2HE LYS 28 -7.540 -8.849 11.332 216 2HE LYS 28 1HE LYS 28 -7.813 -7.117 11.509 217 1HZ LYS 28 1HZ LYS 28 -9.992 -7.621 12.459 218 2HZ LYS 28 2HZ LYS 28 -8.741 -8.313 13.364 219 3HZ LYS 28 3HZ LYS 28 -9.672 -9.279 12.334 220 H ARG 29 H ARG 29 -7.032 -6.971 6.183 221 HA ARG 29 HA ARG 29 -8.673 -8.569 4.559 222 1HB ARG 29 2HB ARG 29 -9.052 -6.151 4.816 223 2HB ARG 29 1HB ARG 29 -7.563 -5.823 3.937 224 1HG ARG 29 2HG ARG 29 -8.490 -6.871 1.945 225 2HG ARG 29 1HG ARG 29 -9.969 -7.253 2.821 226 1HD ARG 29 2HD ARG 29 -10.409 -4.863 3.118 227 2HD ARG 29 1HD ARG 29 -8.920 -4.480 2.249 228 HE ARG 29 HE ARG 29 -10.492 -6.146 0.637 229 1HH1 ARG 29 1HH1 ARG 29 -10.614 -2.885 1.916 230 2HH1 ARG 29 2HH1 ARG 29 -11.494 -2.264 0.559 231 1HH2 ARG 29 1HH2 ARG 29 -11.684 -5.338 -1.109 232 2HH2 ARG 29 2HH2 ARG 29 -12.127 -3.660 -1.151 233 H ILE 30 H ILE 30 -5.377 -7.400 4.126 234 HA ILE 30 HA ILE 30 -5.201 -8.520 1.467 235 HB ILE 30 HB ILE 30 -2.992 -7.388 3.193 236 1HG1 ILE 30 2HG1 ILE 30 -4.623 -6.038 1.025 237 2HG1 ILE 30 1HG1 ILE 30 -4.830 -5.770 2.752 238 1HG2 ILE 30 1HG2 ILE 30 -1.844 -7.065 1.016 239 2HG2 ILE 30 2HG2 ILE 30 -3.142 -7.972 0.240 240 3HG2 ILE 30 3HG2 ILE 30 -2.105 -8.759 1.430 241 1HD1 ILE 30 1HD1 ILE 30 -2.559 -4.881 2.878 242 2HD1 ILE 30 2HD1 ILE 30 -3.555 -3.981 1.734 243 3HD1 ILE 30 3HD1 ILE 30 -2.366 -5.144 1.145 244 H TYR 31 H TYR 31 -3.896 -9.273 4.673 245 HA TYR 31 HA TYR 31 -2.130 -11.296 3.965 246 1HB TYR 31 2HB TYR 31 -3.657 -10.754 6.498 247 2HB TYR 31 1HB TYR 31 -2.557 -12.118 6.364 248 HD1 TYR 31 1HD TYR 31 -1.322 -11.121 8.271 249 HD2 TYR 31 2HD TYR 31 -1.642 -9.116 4.535 250 HE1 TYR 31 1HE TYR 31 0.578 -9.685 8.885 251 HE2 TYR 31 2HE TYR 31 0.253 -7.671 5.140 252 HH TYR 31 HH TYR 31 2.344 -8.330 7.633 253 H ASN 32 H ASN 32 -5.604 -11.486 4.491 254 HA ASN 32 HA ASN 32 -5.679 -14.328 4.697 255 1HB ASN 32 2HB ASN 32 -7.755 -12.198 4.379 256 2HB ASN 32 1HB ASN 32 -8.200 -13.880 4.118 257 1HD2 ASN 32 1HD2 ASN 32 -7.160 -11.517 6.429 258 2HD2 ASN 32 2HD2 ASN 32 -7.492 -12.466 7.840 259 H GLU 33 H GLU 33 -5.008 -12.427 2.073 260 HA GLU 33 HA GLU 33 -5.722 -14.628 0.275 261 1HB GLU 33 2HB GLU 33 -6.280 -11.719 -0.347 262 2HB GLU 33 1HB GLU 33 -6.506 -13.071 -1.451 263 1HG GLU 33 2HG GLU 33 -8.138 -14.028 0.157 264 2HG GLU 33 1HG GLU 33 -7.993 -12.556 1.110 265 H ILE 34 H ILE 34 -3.292 -13.140 1.581 266 HA ILE 34 HA ILE 34 -1.671 -13.213 -0.856 267 HB ILE 34 HB ILE 34 -1.804 -10.959 1.122 268 1HG1 ILE 34 2HG1 ILE 34 -3.129 -10.851 -0.953 269 2HG1 ILE 34 1HG1 ILE 34 -1.899 -9.596 -0.890 270 1HG2 ILE 34 1HG2 ILE 34 0.546 -11.608 1.053 271 2HG2 ILE 34 2HG2 ILE 34 0.291 -10.062 0.243 272 3HG2 ILE 34 3HG2 ILE 34 0.522 -11.526 -0.709 273 1HD1 ILE 34 1HD1 ILE 34 -1.803 -12.145 -2.487 274 2HD1 ILE 34 2HD1 ILE 34 -0.467 -11.003 -2.346 275 3HD1 ILE 34 3HD1 ILE 34 -1.981 -10.502 -3.103 276 H SER 35 H SER 35 -0.041 -14.533 -0.644 277 HA SER 35 HA SER 35 0.708 -15.609 1.901 278 1HB SER 35 2HB SER 35 2.019 -16.034 -0.791 279 2HB SER 35 1HB SER 35 2.130 -17.081 0.626 280 HG SER 35 HG SER 35 -0.237 -17.251 0.419 281 H LYS 36 H LYS 36 3.044 -15.759 2.508 282 HA LYS 36 HA LYS 36 4.030 -13.187 3.024 283 1HB LYS 36 2HB LYS 36 5.546 -15.804 3.175 284 2HB LYS 36 1HB LYS 36 5.990 -14.301 3.972 285 1HG LYS 36 2HG LYS 36 3.874 -14.414 5.252 286 2HG LYS 36 1HG LYS 36 3.564 -15.992 4.529 287 1HD LYS 36 2HD LYS 36 5.667 -16.826 5.505 288 2HD LYS 36 1HD LYS 36 5.922 -15.250 6.261 289 1HE LYS 36 2HE LYS 36 3.694 -15.558 7.394 290 2HE LYS 36 1HE LYS 36 3.705 -17.217 6.799 291 1HZ LYS 36 1HZ LYS 36 4.530 -17.076 9.060 292 2HZ LYS 36 2HZ LYS 36 5.746 -16.005 8.586 293 3HZ LYS 36 3HZ LYS 36 5.753 -17.600 8.020 294 H ASP 37 H ASP 37 4.767 -15.504 0.516 295 HA ASP 37 HA ASP 37 7.161 -14.345 -0.420 296 1HB ASP 37 2HB ASP 37 5.139 -15.920 -2.024 297 2HB ASP 37 1HB ASP 37 6.830 -15.659 -2.438 298 H ALA 38 H ALA 38 3.789 -13.935 -1.424 299 HA ALA 38 HA ALA 38 4.340 -12.154 -3.555 300 1HB ALA 38 1HB ALA 38 1.932 -11.714 -3.547 301 2HB ALA 38 2HB ALA 38 1.783 -12.549 -2.000 302 3HB ALA 38 3HB ALA 38 2.271 -13.441 -3.441 303 H TRP 39 H TRP 39 3.488 -11.695 -0.160 304 HA TRP 39 HA TRP 39 3.194 -8.895 -0.229 305 1HB TRP 39 2HB TRP 39 2.400 -10.271 1.642 306 2HB TRP 39 1HB TRP 39 4.059 -10.689 2.054 307 HD1 TRP 39 HD TRP 39 5.501 -8.879 3.354 308 HE1 TRP 39 1HE TRP 39 4.864 -6.734 4.622 309 HE3 TRP 39 3HE TRP 39 0.739 -8.273 1.588 310 HZ2 TRP 39 2HZ TRP 39 2.642 -5.011 4.843 311 HZ3 TRP 39 3HZ TRP 39 -0.569 -6.346 2.383 312 HH2 TRP 39 HH TRP 39 0.358 -4.752 3.974 313 H ALA 40 H ALA 40 5.980 -10.935 0.627 314 HA ALA 40 HA ALA 40 7.740 -8.808 1.200 315 1HB ALA 40 1HB ALA 40 9.510 -10.475 1.100 316 2HB ALA 40 2HB ALA 40 8.414 -11.612 0.313 317 3HB ALA 40 3HB ALA 40 8.115 -11.102 1.975 318 H GLN 41 H GLN 41 7.012 -10.565 -1.754 319 HA GLN 41 HA GLN 41 9.123 -9.527 -3.312 320 1HB GLN 41 2HB GLN 41 7.817 -11.550 -3.891 321 2HB GLN 41 1HB GLN 41 6.419 -10.539 -4.216 322 1HG GLN 41 2HG GLN 41 8.972 -10.062 -5.690 323 2HG GLN 41 1HG GLN 41 7.909 -11.383 -6.166 324 1HE2 GLN 41 1HE2 GLN 41 8.648 -8.957 -7.616 325 2HE2 GLN 41 2HE2 GLN 41 7.163 -8.153 -7.975 326 H TRP 42 H TRP 42 5.709 -8.503 -2.984 327 HA TRP 42 HA TRP 42 5.973 -6.435 -4.900 328 1HB TRP 42 2HB TRP 42 3.783 -7.387 -4.323 329 2HB TRP 42 1HB TRP 42 3.910 -6.693 -2.706 330 HD1 TRP 42 HD TRP 42 2.697 -4.455 -2.454 331 HE1 TRP 42 1HE TRP 42 2.029 -2.527 -4.024 332 HE3 TRP 42 3HE TRP 42 4.698 -6.215 -6.819 333 HZ2 TRP 42 2HZ TRP 42 2.299 -1.845 -6.741 334 HZ3 TRP 42 3HZ TRP 42 4.445 -4.862 -8.860 335 HH2 TRP 42 HH TRP 42 3.270 -2.725 -8.821 336 H GLN 43 H GLN 43 6.292 -6.484 -1.368 337 HA GLN 43 HA GLN 43 6.608 -3.692 -1.085 338 1HB GLN 43 2HB GLN 43 7.516 -6.005 0.605 339 2HB GLN 43 1HB GLN 43 7.940 -4.350 1.014 340 1HG GLN 43 2HG GLN 43 5.435 -3.871 0.888 341 2HG GLN 43 1HG GLN 43 5.234 -5.623 0.941 342 1HE2 GLN 43 1HE2 GLN 43 4.478 -3.540 2.872 343 2HE2 GLN 43 2HE2 GLN 43 5.240 -3.977 4.360 344 H HIS 44 H HIS 44 8.908 -6.282 -1.767 345 HA HIS 44 HA HIS 44 11.250 -4.709 -1.682 346 1HB HIS 44 2HB HIS 44 11.183 -7.221 -1.757 347 2HB HIS 44 1HB HIS 44 10.730 -7.107 -3.456 348 HD1 HIS 44 1HD HIS 44 12.609 -7.006 -5.096 349 HD2 HIS 44 2HD HIS 44 13.838 -6.093 -1.231 350 HE1 HIS 44 1HE HIS 44 15.109 -6.796 -5.213 351 HE2 HIS 44 2HE HIS 44 15.803 -6.061 -2.909 352 H LYS 45 H LYS 45 9.020 -5.540 -4.282 353 HA LYS 45 HA LYS 45 10.251 -4.182 -6.386 354 1HB LYS 45 2HB LYS 45 8.401 -5.749 -6.706 355 2HB LYS 45 1HB LYS 45 7.312 -4.660 -5.861 356 1HG LYS 45 2HG LYS 45 6.888 -4.410 -8.172 357 2HG LYS 45 1HG LYS 45 7.761 -2.971 -7.650 358 1HD LYS 45 2HD LYS 45 8.667 -3.682 -9.752 359 2HD LYS 45 1HD LYS 45 9.859 -4.018 -8.494 360 1HE LYS 45 2HE LYS 45 9.190 -6.352 -8.449 361 2HE LYS 45 1HE LYS 45 7.926 -6.035 -9.635 362 1HZ LYS 45 1HZ LYS 45 10.843 -5.768 -10.091 363 2HZ LYS 45 2HZ LYS 45 9.644 -5.432 -11.231 364 3HZ LYS 45 3HZ LYS 45 9.859 -7.010 -10.671 365 H GLN 46 H GLN 46 7.649 -3.075 -4.226 366 HA GLN 46 HA GLN 46 7.357 -0.528 -5.327 367 1HB GLN 46 2HB GLN 46 5.779 -1.682 -3.739 368 2HB GLN 46 1HB GLN 46 6.882 -1.254 -2.436 369 1HG GLN 46 2HG GLN 46 5.105 0.347 -2.504 370 2HG GLN 46 1HG GLN 46 6.598 1.125 -3.029 371 1HE2 GLN 46 1HE2 GLN 46 5.551 2.730 -4.182 372 2HE2 GLN 46 2HE2 GLN 46 4.710 2.420 -5.659 373 H THR 47 H THR 47 9.453 -1.668 -2.710 374 HA THR 47 HA THR 47 10.425 0.802 -1.844 375 HB THR 47 HB THR 47 11.934 -1.822 -1.963 376 HG1 THR 47 1HG THR 47 10.024 -2.052 -0.773 377 1HG2 THR 47 1HG2 THR 47 12.356 0.618 -0.234 378 2HG2 THR 47 2HG2 THR 47 13.412 0.082 -1.542 379 3HG2 THR 47 3HG2 THR 47 13.231 -0.906 -0.093 380 H MET 48 H MET 48 11.541 -1.302 -4.482 381 HA MET 48 HA MET 48 13.739 0.292 -5.256 382 1HB MET 48 2HB MET 48 13.455 -2.038 -6.004 383 2HB MET 48 1HB MET 48 12.050 -1.565 -6.948 384 1HG MET 48 2HG MET 48 14.633 -0.193 -7.472 385 2HG MET 48 1HG MET 48 14.427 -1.844 -8.051 386 1HE MET 48 1HE MET 48 11.507 -1.544 -10.578 387 2HE MET 48 2HE MET 48 11.427 -2.061 -8.893 388 3HE MET 48 3HE MET 48 12.774 -2.570 -9.909 389 H LEU 49 H LEU 49 10.354 0.229 -6.292 390 HA LEU 49 HA LEU 49 10.491 2.175 -8.288 391 1HB LEU 49 2HB LEU 49 8.329 1.122 -6.537 392 2HB LEU 49 1HB LEU 49 8.022 2.630 -7.373 393 HG LEU 49 HG LEU 49 8.419 1.523 -9.530 394 1HD1 LEU 49 1HD1 LEU 49 9.996 -0.185 -8.819 395 2HD1 LEU 49 2HD1 LEU 49 8.618 -0.909 -9.650 396 3HD1 LEU 49 3HD1 LEU 49 8.730 -0.985 -7.891 397 1HD2 LEU 49 1HD2 LEU 49 6.156 1.634 -8.666 398 2HD2 LEU 49 2HD2 LEU 49 6.403 0.135 -7.769 399 3HD2 LEU 49 3HD2 LEU 49 6.405 0.119 -9.531 400 H ILE 50 H ILE 50 9.987 2.521 -4.799 401 HA ILE 50 HA ILE 50 9.435 5.262 -4.743 402 HB ILE 50 HB ILE 50 10.794 3.558 -2.647 403 1HG1 ILE 50 2HG1 ILE 50 7.912 4.434 -2.957 404 2HG1 ILE 50 1HG1 ILE 50 8.532 2.820 -3.290 405 1HG2 ILE 50 1HG2 ILE 50 11.263 5.917 -2.266 406 2HG2 ILE 50 2HG2 ILE 50 10.148 5.295 -1.049 407 3HG2 ILE 50 3HG2 ILE 50 9.542 6.288 -2.376 408 1HD1 ILE 50 1HD1 ILE 50 9.113 2.543 -0.947 409 2HD1 ILE 50 2HD1 ILE 50 7.403 2.938 -1.133 410 3HD1 ILE 50 3HD1 ILE 50 8.542 4.175 -0.603 411 H ASN 51 H ASN 51 12.547 3.562 -4.626 412 HA ASN 51 HA ASN 51 14.075 5.945 -4.202 413 1HB ASN 51 2HB ASN 51 14.845 3.137 -4.981 414 2HB ASN 51 1HB ASN 51 16.032 4.433 -4.872 415 1HD2 ASN 51 1HD2 ASN 51 13.915 2.330 -3.126 416 2HD2 ASN 51 2HD2 ASN 51 14.522 2.692 -1.547 417 H GLU 52 H GLU 52 13.103 4.114 -7.020 418 HA GLU 52 HA GLU 52 14.853 5.520 -8.804 419 1HB GLU 52 2HB GLU 52 12.546 3.635 -9.256 420 2HB GLU 52 1HB GLU 52 13.503 4.321 -10.561 421 1HG GLU 52 2HG GLU 52 14.657 2.701 -8.306 422 2HG GLU 52 1HG GLU 52 14.181 2.027 -9.863 423 H LYS 53 H LYS 53 11.442 5.713 -7.947 424 HA LYS 53 HA LYS 53 10.907 7.803 -9.854 425 1HB LYS 53 2HB LYS 53 9.292 6.722 -7.544 426 2HB LYS 53 1HB LYS 53 8.708 7.931 -8.677 427 1HG LYS 53 2HG LYS 53 8.846 6.368 -10.500 428 2HG LYS 53 1HG LYS 53 9.604 5.162 -9.455 429 1HD LYS 53 2HD LYS 53 7.571 5.070 -8.093 430 2HD LYS 53 1HD LYS 53 6.817 6.283 -9.128 431 1HE LYS 53 2HE LYS 53 7.753 3.556 -10.013 432 2HE LYS 53 1HE LYS 53 6.083 4.004 -9.680 433 1HZ LYS 53 1HZ LYS 53 6.492 4.088 -12.023 434 2HZ LYS 53 2HZ LYS 53 7.815 5.118 -11.814 435 3HZ LYS 53 3HZ LYS 53 6.254 5.667 -11.463 436 H LYS 54 H LYS 54 12.202 7.604 -6.730 437 HA LYS 54 HA LYS 54 12.850 9.099 -5.162 438 1HB LYS 54 2HB LYS 54 12.662 11.049 -7.463 439 2HB LYS 54 1HB LYS 54 13.470 11.361 -5.933 440 1HG LYS 54 2HG LYS 54 15.033 9.536 -6.394 441 2HG LYS 54 1HG LYS 54 14.227 9.251 -7.939 442 1HD LYS 54 2HD LYS 54 14.801 11.526 -8.646 443 2HD LYS 54 1HD LYS 54 15.620 11.792 -7.106 444 1HE LYS 54 2HE LYS 54 17.164 9.963 -7.619 445 2HE LYS 54 1HE LYS 54 16.350 9.715 -9.163 446 1HZ LYS 54 1HZ LYS 54 17.769 12.192 -8.345 447 2HZ LYS 54 2HZ LYS 54 17.008 11.937 -9.832 448 3HZ LYS 54 3HZ LYS 54 18.365 11.026 -9.411 449 H LEU 55 H LEU 55 10.472 8.521 -4.572 450 HA LEU 55 HA LEU 55 8.985 11.044 -4.347 451 1HB LEU 55 2HB LEU 55 6.928 9.727 -4.187 452 2HB LEU 55 1HB LEU 55 7.764 9.457 -5.701 453 HG LEU 55 HG LEU 55 8.735 7.361 -4.379 454 1HD1 LEU 55 1HD1 LEU 55 7.011 6.368 -2.948 455 2HD1 LEU 55 2HD1 LEU 55 6.066 7.853 -3.062 456 3HD1 LEU 55 3HD1 LEU 55 7.643 7.868 -2.272 457 1HD2 LEU 55 1HD2 LEU 55 6.986 6.019 -5.397 458 2HD2 LEU 55 2HD2 LEU 55 7.473 7.322 -6.483 459 3HD2 LEU 55 3HD2 LEU 55 5.967 7.448 -5.574 460 H ASN 56 H ASN 56 8.333 11.730 -2.393 461 HA ASN 56 HA ASN 56 8.998 10.024 -0.085 462 1HB ASN 56 2HB ASN 56 10.411 12.055 -0.239 463 2HB ASN 56 1HB ASN 56 8.963 13.055 -0.208 464 1HD2 ASN 56 1HD2 ASN 56 7.957 13.455 1.728 465 2HD2 ASN 56 2HD2 ASN 56 8.574 12.920 3.252 466 H MET 57 H MET 57 7.506 9.973 1.644 467 HA MET 57 HA MET 57 4.794 10.282 0.758 468 1HB MET 57 2HB MET 57 5.896 9.370 3.417 469 2HB MET 57 1HB MET 57 4.198 9.322 2.960 470 1HG MET 57 2HG MET 57 6.451 7.805 1.670 471 2HG MET 57 1HG MET 57 5.177 7.144 2.692 472 1HE MET 57 1HE MET 57 6.012 6.053 -0.200 473 2HE MET 57 2HE MET 57 4.439 5.742 -0.931 474 3HE MET 57 3HE MET 57 4.732 5.299 0.750 475 H MET 58 H MET 58 5.070 12.612 0.475 476 HA MET 58 HA MET 58 4.189 13.999 2.914 477 1HB MET 58 2HB MET 58 5.324 16.039 2.095 478 2HB MET 58 1HB MET 58 6.450 14.741 2.457 479 1HG MET 58 2HG MET 58 6.486 14.207 0.017 480 2HG MET 58 1HG MET 58 5.524 15.659 -0.250 481 1HE MET 58 1HE MET 58 7.384 16.530 -1.954 482 2HE MET 58 2HE MET 58 8.350 15.085 -1.652 483 3HE MET 58 3HE MET 58 9.091 16.679 -1.537 484 H ASN 59 H ASN 59 3.815 13.325 -0.418 485 HA ASN 59 HA ASN 59 1.473 15.097 -0.550 486 1HB ASN 59 2HB ASN 59 3.359 15.646 -2.152 487 2HB ASN 59 1HB ASN 59 3.085 14.080 -2.905 488 1HD2 ASN 59 1HD2 ASN 59 2.876 16.719 -4.069 489 2HD2 ASN 59 2HD2 ASN 59 1.252 16.879 -4.642 490 H ALA 60 H ALA 60 -0.431 14.125 -0.842 491 HA ALA 60 HA ALA 60 -0.700 11.348 -0.554 492 1HB ALA 60 1HB ALA 60 -2.759 13.335 -1.499 493 2HB ALA 60 2HB ALA 60 -2.397 12.944 0.183 494 3HB ALA 60 3HB ALA 60 -3.082 11.716 -0.881 495 H GLU 61 H GLU 61 -0.258 13.275 -3.372 496 HA GLU 61 HA GLU 61 -1.452 11.754 -5.356 497 1HB GLU 61 2HB GLU 61 1.113 13.343 -5.382 498 2HB GLU 61 1HB GLU 61 0.414 12.631 -6.831 499 1HG GLU 61 2HG GLU 61 -0.955 14.633 -5.050 500 2HG GLU 61 1HG GLU 61 -0.142 15.006 -6.570 501 H HIS 62 H HIS 62 1.645 11.236 -3.728 502 HA HIS 62 HA HIS 62 2.242 9.001 -5.482 503 1HB HIS 62 2HB HIS 62 3.785 10.170 -3.159 504 2HB HIS 62 1HB HIS 62 4.338 8.811 -4.137 505 HD1 HIS 62 1HD HIS 62 4.739 9.357 -6.734 506 HD2 HIS 62 2HD HIS 62 4.342 12.641 -4.212 507 HE1 HIS 62 1HE HIS 62 5.565 11.324 -8.054 508 HE2 HIS 62 2HE HIS 62 5.105 13.317 -6.593 509 H ARG 63 H ARG 63 0.801 9.576 -2.430 510 HA ARG 63 HA ARG 63 1.056 6.916 -1.416 511 1HB ARG 63 2HB ARG 63 0.613 8.603 0.193 512 2HB ARG 63 1HB ARG 63 -0.729 9.248 -0.736 513 1HG ARG 63 2HG ARG 63 -1.516 8.076 1.232 514 2HG ARG 63 1HG ARG 63 -2.046 7.259 -0.237 515 1HD ARG 63 2HD ARG 63 -1.337 5.588 1.295 516 2HD ARG 63 1HD ARG 63 -0.117 5.696 0.032 517 HE ARG 63 HE ARG 63 0.999 7.250 1.831 518 1HH1 ARG 63 1HH1 ARG 63 -0.748 4.268 2.356 519 2HH1 ARG 63 2HH1 ARG 63 0.178 3.815 3.753 520 1HH2 ARG 63 1HH2 ARG 63 2.238 6.654 3.692 521 2HH2 ARG 63 2HH2 ARG 63 1.889 5.154 4.494 522 H LYS 64 H LYS 64 -1.415 8.695 -3.253 523 HA LYS 64 HA LYS 64 -3.270 6.564 -3.331 524 1HB LYS 64 2HB LYS 64 -4.487 7.815 -4.937 525 2HB LYS 64 1HB LYS 64 -3.784 8.986 -3.836 526 1HG LYS 64 2HG LYS 64 -2.005 9.423 -5.491 527 2HG LYS 64 1HG LYS 64 -2.800 8.306 -6.600 528 1HD LYS 64 2HD LYS 64 -4.849 9.740 -6.433 529 2HD LYS 64 1HD LYS 64 -3.889 10.906 -5.522 530 1HE LYS 64 2HE LYS 64 -2.302 10.960 -7.473 531 2HE LYS 64 1HE LYS 64 -3.482 10.005 -8.370 532 1HZ LYS 64 1HZ LYS 64 -3.805 12.291 -8.894 533 2HZ LYS 64 2HZ LYS 64 -3.848 12.735 -7.259 534 3HZ LYS 64 3HZ LYS 64 -5.110 11.811 -7.921 535 H LEU 65 H LEU 65 -0.638 7.528 -5.503 536 HA LEU 65 HA LEU 65 -1.101 5.643 -7.523 537 1HB LEU 65 2HB LEU 65 1.072 7.398 -6.718 538 2HB LEU 65 1HB LEU 65 1.666 5.885 -7.371 539 HG LEU 65 HG LEU 65 1.535 7.564 -9.118 540 1HD1 LEU 65 1HD1 LEU 65 -0.626 5.488 -9.446 541 2HD1 LEU 65 2HD1 LEU 65 1.099 5.223 -9.697 542 3HD1 LEU 65 3HD1 LEU 65 0.217 6.337 -10.742 543 1HD2 LEU 65 1HD2 LEU 65 -0.608 8.508 -9.821 544 2HD2 LEU 65 2HD2 LEU 65 -0.219 8.964 -8.161 545 3HD2 LEU 65 3HD2 LEU 65 -1.410 7.700 -8.474 546 H LEU 66 H LEU 66 0.981 5.430 -4.653 547 HA LEU 66 HA LEU 66 1.894 2.828 -5.001 548 1HB LEU 66 2HB LEU 66 2.833 4.309 -3.327 549 2HB LEU 66 1HB LEU 66 1.308 4.368 -2.469 550 HG LEU 66 HG LEU 66 2.573 1.693 -2.766 551 1HD1 LEU 66 1HD1 LEU 66 4.011 2.097 -0.829 552 2HD1 LEU 66 2HD1 LEU 66 3.573 3.804 -0.861 553 3HD1 LEU 66 3HD1 LEU 66 4.479 3.101 -2.201 554 1HD2 LEU 66 1HD2 LEU 66 0.438 1.936 -1.617 555 2HD2 LEU 66 2HD2 LEU 66 1.145 3.124 -0.524 556 3HD2 LEU 66 3HD2 LEU 66 1.696 1.449 -0.480 557 H GLU 67 H GLU 67 -1.054 4.008 -3.434 558 HA GLU 67 HA GLU 67 -1.960 1.509 -2.502 559 1HB GLU 67 2HB GLU 67 -2.795 3.716 -1.719 560 2HB GLU 67 1HB GLU 67 -3.600 3.929 -3.265 561 1HG GLU 67 2HG GLU 67 -5.040 2.056 -2.833 562 2HG GLU 67 1HG GLU 67 -4.168 1.685 -1.347 563 H GLN 68 H GLN 68 -2.684 3.328 -5.459 564 HA GLN 68 HA GLN 68 -4.555 1.606 -6.575 565 1HB GLN 68 2HB GLN 68 -2.493 3.352 -7.920 566 2HB GLN 68 1HB GLN 68 -3.791 2.535 -8.777 567 1HG GLN 68 2HG GLN 68 -5.447 3.800 -7.564 568 2HG GLN 68 1HG GLN 68 -4.194 4.548 -6.576 569 1HE2 GLN 68 1HE2 GLN 68 -5.693 4.439 -9.704 570 2HE2 GLN 68 2HE2 GLN 68 -5.002 5.897 -10.313 571 H GLU 69 H GLU 69 -1.024 1.634 -7.065 572 HA GLU 69 HA GLU 69 -1.038 -0.620 -8.789 573 1HB GLU 69 2HB GLU 69 1.239 0.567 -7.188 574 2HB GLU 69 1HB GLU 69 1.412 -0.600 -8.493 575 1HG GLU 69 2HG GLU 69 0.326 1.055 -10.012 576 2HG GLU 69 1HG GLU 69 0.395 2.224 -8.694 577 H MET 70 H MET 70 -0.477 -0.239 -5.318 578 HA MET 70 HA MET 70 0.370 -2.869 -4.797 579 1HB MET 70 2HB MET 70 0.677 -1.112 -3.157 580 2HB MET 70 1HB MET 70 -1.061 -0.911 -2.994 581 1HG MET 70 2HG MET 70 -1.262 -3.122 -2.033 582 2HG MET 70 1HG MET 70 0.459 -3.410 -2.275 583 1HE MET 70 1HE MET 70 2.356 -2.311 -0.916 584 2HE MET 70 2HE MET 70 2.131 -1.035 0.282 585 3HE MET 70 3HE MET 70 1.823 -0.708 -1.423 586 H VAL 71 H VAL 71 -2.881 -1.427 -4.531 587 HA VAL 71 HA VAL 71 -4.161 -3.823 -3.757 588 HB VAL 71 HB VAL 71 -5.288 -1.353 -5.091 589 1HG1 VAL 71 1HG1 VAL 71 -6.733 -3.313 -5.492 590 2HG1 VAL 71 2HG1 VAL 71 -7.491 -2.123 -4.434 591 3HG1 VAL 71 3HG1 VAL 71 -6.803 -3.596 -3.752 592 1HG2 VAL 71 1HG2 VAL 71 -6.099 -0.830 -2.836 593 2HG2 VAL 71 2HG2 VAL 71 -4.340 -0.952 -2.890 594 3HG2 VAL 71 3HG2 VAL 71 -5.297 -2.275 -2.220 595 H SER 72 H SER 72 -3.379 -2.458 -6.903 596 HA SER 72 HA SER 72 -5.071 -4.163 -8.402 597 1HB SER 72 2HB SER 72 -4.013 -1.992 -9.190 598 2HB SER 72 1HB SER 72 -2.517 -2.899 -9.404 599 HG SER 72 HG SER 72 -3.377 -3.982 -11.056 600 H PHE 73 H PHE 73 -1.756 -4.482 -7.245 601 HA PHE 73 HA PHE 73 -1.327 -6.872 -8.816 602 1HB PHE 73 2HB PHE 73 0.531 -5.297 -8.424 603 2HB PHE 73 1HB PHE 73 0.426 -5.612 -6.695 604 HD1 PHE 73 1HD PHE 73 1.279 -7.088 -9.965 605 HD2 PHE 73 2HD PHE 73 1.406 -7.555 -5.736 606 HE1 PHE 73 1HE PHE 73 2.840 -8.975 -10.224 607 HE2 PHE 73 2HE PHE 73 2.966 -9.440 -5.987 608 HZ PHE 73 HZ PHE 73 3.687 -10.151 -8.233 609 H LEU 74 H LEU 74 -1.396 -6.121 -5.322 610 HA LEU 74 HA LEU 74 -1.165 -8.864 -4.591 611 1HB LEU 74 2HB LEU 74 -1.933 -6.432 -2.982 612 2HB LEU 74 1HB LEU 74 -1.689 -8.023 -2.290 613 HG LEU 74 HG LEU 74 0.420 -6.392 -3.711 614 1HD1 LEU 74 1HD1 LEU 74 -0.178 -5.446 -1.550 615 2HD1 LEU 74 2HD1 LEU 74 1.424 -6.180 -1.492 616 3HD1 LEU 74 3HD1 LEU 74 0.045 -7.020 -0.786 617 1HD2 LEU 74 1HD2 LEU 74 0.783 -8.779 -4.009 618 2HD2 LEU 74 2HD2 LEU 74 0.598 -9.042 -2.275 619 3HD2 LEU 74 3HD2 LEU 74 1.969 -8.114 -2.885 620 H PHE 75 H PHE 75 -3.866 -6.563 -4.347 621 HA PHE 75 HA PHE 75 -5.676 -8.619 -3.483 622 1HB PHE 75 2HB PHE 75 -5.850 -6.269 -2.703 623 2HB PHE 75 1HB PHE 75 -6.239 -5.774 -4.346 624 HD1 PHE 75 1HD PHE 75 -7.419 -7.934 -1.569 625 HD2 PHE 75 2HD PHE 75 -8.439 -5.766 -5.086 626 HE1 PHE 75 1HE PHE 75 -9.804 -8.332 -1.118 627 HE2 PHE 75 2HE PHE 75 -10.827 -6.155 -4.639 628 HZ PHE 75 HZ PHE 75 -11.512 -7.440 -2.652 629 H GLU 76 H GLU 76 -5.113 -6.740 -6.404 630 HA GLU 76 HA GLU 76 -5.721 -6.980 -8.559 631 1HB GLU 76 2HB GLU 76 -4.741 -9.224 -8.332 632 2HB GLU 76 1HB GLU 76 -6.297 -9.848 -7.800 633 1HG GLU 76 2HG GLU 76 -5.947 -10.394 -10.118 634 2HG GLU 76 1HG GLU 76 -7.270 -9.240 -9.966 635 H GLY 77 H GLY 77 -7.416 -5.603 -8.554 636 1HA GLY 77 2HA GLY 77 -9.767 -6.010 -9.558 637 2HA GLY 77 1HA GLY 77 -10.081 -6.680 -7.963 638 H LYS 78 H LYS 78 -8.335 -3.788 -9.087 639 HA LYS 78 HA LYS 78 -9.790 -2.233 -7.104 640 1HB LYS 78 2HB LYS 78 -8.198 -0.375 -7.907 641 2HB LYS 78 1HB LYS 78 -7.524 -1.703 -6.977 642 1HG LYS 78 2HG LYS 78 -6.010 -1.260 -8.721 643 2HG LYS 78 1HG LYS 78 -6.839 -2.748 -9.156 644 1HD LYS 78 2HD LYS 78 -8.316 -1.451 -10.651 645 2HD LYS 78 1HD LYS 78 -7.418 0.010 -10.238 646 1HE LYS 78 2HE LYS 78 -5.396 -0.927 -11.183 647 2HE LYS 78 1HE LYS 78 -6.222 -2.448 -11.515 648 1HZ LYS 78 1HZ LYS 78 -7.682 -1.265 -13.043 649 2HZ LYS 78 2HZ LYS 78 -6.063 -1.099 -13.497 650 3HZ LYS 78 3HZ LYS 78 -6.860 0.182 -12.739 651 H ASP 79 H ASP 79 -11.080 -0.483 -7.579 652 HA ASP 79 HA ASP 79 -12.112 -0.425 -10.304 653 1HB ASP 79 2HB ASP 79 -13.135 0.554 -7.660 654 2HB ASP 79 1HB ASP 79 -13.796 1.212 -9.152 655 H VAL 80 H VAL 80 -9.850 1.170 -8.480 656 HA VAL 80 HA VAL 80 -10.327 3.837 -9.440 657 HB VAL 80 HB VAL 80 -7.791 2.787 -8.179 658 1HG1 VAL 80 1HG1 VAL 80 -8.961 5.564 -8.366 659 2HG1 VAL 80 2HG1 VAL 80 -7.561 4.955 -9.248 660 3HG1 VAL 80 3HG1 VAL 80 -7.490 5.132 -7.495 661 1HG2 VAL 80 1HG2 VAL 80 -8.690 3.551 -6.032 662 2HG2 VAL 80 2HG2 VAL 80 -9.680 2.267 -6.726 663 3HG2 VAL 80 3HG2 VAL 80 -10.223 3.943 -6.812 664 H HIS 81 H HIS 81 -9.784 4.574 -11.352 665 HA HIS 81 HA HIS 81 -8.232 3.028 -13.206 666 1HB HIS 81 2HB HIS 81 -10.082 5.193 -13.318 667 2HB HIS 81 1HB HIS 81 -8.606 5.706 -14.124 668 HD1 HIS 81 1HD HIS 81 -8.788 5.336 -16.535 669 HD2 HIS 81 2HD HIS 81 -10.681 2.328 -14.372 670 HE1 HIS 81 1HE HIS 81 -9.728 3.747 -18.251 671 HE2 HIS 81 2HE HIS 81 -10.964 2.001 -16.920 672 H ILE 82 H ILE 82 -6.105 3.220 -13.672 673 HA ILE 82 HA ILE 82 -4.627 5.265 -12.171 674 HB ILE 82 HB ILE 82 -3.422 2.806 -13.430 675 1HG1 ILE 82 2HG1 ILE 82 -4.390 3.124 -10.581 676 2HG1 ILE 82 1HG1 ILE 82 -5.199 2.161 -11.812 677 1HG2 ILE 82 1HG2 ILE 82 -1.874 4.608 -12.867 678 2HG2 ILE 82 2HG2 ILE 82 -1.629 3.221 -11.806 679 3HG2 ILE 82 3HG2 ILE 82 -2.495 4.639 -11.216 680 1HD1 ILE 82 1HD1 ILE 82 -3.270 0.690 -11.947 681 2HD1 ILE 82 2HD1 ILE 82 -3.872 0.786 -10.292 682 3HD1 ILE 82 3HD1 ILE 82 -2.420 1.674 -10.755 683 H GLU 83 H GLU 83 -5.055 6.879 -13.777 684 HA GLU 83 HA GLU 83 -3.215 6.633 -16.061 685 1HB GLU 83 2HB GLU 83 -5.616 8.419 -15.656 686 2HB GLU 83 1HB GLU 83 -4.415 8.731 -16.898 687 1HG GLU 83 2HG GLU 83 -5.990 7.590 -18.092 688 2HG GLU 83 1HG GLU 83 -4.927 6.273 -17.607 689 H GLY 84 H GLY 84 -3.652 7.942 -13.017 690 1HA GLY 84 2HA GLY 84 -2.163 9.270 -11.804 691 2HA GLY 84 1HA GLY 84 -1.360 9.697 -13.312 692 H TYR 85 H TYR 85 -1.359 11.880 -13.005 693 HA TYR 85 HA TYR 85 -2.109 14.015 -13.167 694 1HB TYR 85 2HB TYR 85 -4.608 12.710 -14.266 695 2HB TYR 85 1HB TYR 85 -4.234 14.423 -14.370 696 HD1 TYR 85 1HD TYR 85 -3.534 11.103 -15.708 697 HD2 TYR 85 2HD TYR 85 -2.513 15.224 -15.913 698 HE1 TYR 85 1HE TYR 85 -2.407 10.711 -17.858 699 HE2 TYR 85 2HE TYR 85 -1.382 14.844 -18.061 700 HH TYR 85 HH TYR 85 -0.369 13.039 -19.311 701 H THR 86 H THR 86 -4.263 15.399 -12.658 702 HA THR 86 HA THR 86 -5.557 14.267 -10.270 703 HB THR 86 HB THR 86 -6.087 16.735 -9.751 704 HG1 THR 86 1HG THR 86 -5.449 17.758 -11.607 705 1HG2 THR 86 1HG2 THR 86 -3.970 17.064 -8.592 706 2HG2 THR 86 2HG2 THR 86 -3.213 15.826 -9.592 707 3HG2 THR 86 3HG2 THR 86 -4.488 15.383 -8.456 708 HA PRO 87 HA PRO 87 -8.876 14.702 -13.364 709 1HB PRO 87 2HB PRO 87 -10.009 12.272 -12.339 710 2HB PRO 87 1HB PRO 87 -9.217 12.531 -13.892 711 1HG PRO 87 2HG PRO 87 -8.202 10.959 -11.872 712 2HG PRO 87 1HG PRO 87 -7.228 11.703 -13.152 713 1HD PRO 87 2HD PRO 87 -7.654 12.602 -10.327 714 2HD PRO 87 1HD PRO 87 -6.172 12.631 -11.312 715 H GLU 88 H GLU 88 -9.603 13.146 -10.249 716 HA GLU 88 HA GLU 88 -11.286 15.326 -9.418 717 1HB GLU 88 2HB GLU 88 -12.701 13.897 -10.975 718 2HB GLU 88 1HB GLU 88 -12.536 12.595 -9.806 719 1HG GLU 88 2HG GLU 88 -14.657 13.786 -9.586 720 2HG GLU 88 1HG GLU 88 -13.672 13.904 -8.129 721 H ASP 89 H ASP 89 -11.495 15.344 -7.185 722 HA ASP 89 HA ASP 89 -10.000 13.223 -5.799 723 1HB ASP 89 2HB ASP 89 -9.601 14.763 -4.022 724 2HB ASP 89 1HB ASP 89 -9.316 15.651 -5.512 725 H LYS 90 H LYS 90 -13.115 14.297 -6.393 726 HA LYS 90 HA LYS 90 -14.189 13.146 -3.927 727 1HB LYS 90 2HB LYS 90 -15.099 15.297 -4.367 728 2HB LYS 90 1HB LYS 90 -15.386 14.915 -6.055 729 1HG LYS 90 2HG LYS 90 -17.439 15.008 -4.683 730 2HG LYS 90 1HG LYS 90 -17.197 13.460 -5.491 731 1HD LYS 90 2HD LYS 90 -17.968 13.130 -3.209 732 2HD LYS 90 1HD LYS 90 -16.325 12.518 -3.401 733 1HE LYS 90 2HE LYS 90 -15.456 14.572 -2.382 734 2HE LYS 90 1HE LYS 90 -17.105 15.166 -2.181 735 1HZ LYS 90 1HZ LYS 90 -16.257 14.178 -0.148 736 2HZ LYS 90 2HZ LYS 90 -15.993 12.709 -0.940 737 3HZ LYS 90 3HZ LYS 90 -17.567 13.288 -0.740 738 H LYS 91 H LYS 91 -14.580 11.054 -3.996 739 HA LYS 91 HA LYS 91 -16.026 10.006 -6.323 740 1HB LYS 91 2HB LYS 91 -14.874 7.802 -5.935 741 2HB LYS 91 1HB LYS 91 -13.847 9.077 -6.568 742 1HG LYS 91 2HG LYS 91 -12.913 9.446 -4.355 743 2HG LYS 91 1HG LYS 91 -13.967 8.195 -3.690 744 1HD LYS 91 2HD LYS 91 -12.905 6.533 -5.147 745 2HD LYS 91 1HD LYS 91 -11.857 7.785 -5.812 746 1HE LYS 91 2HE LYS 91 -10.671 6.498 -4.137 747 2HE LYS 91 1HE LYS 91 -10.903 8.156 -3.589 748 1HZ LYS 91 1HZ LYS 91 -12.726 7.425 -2.209 749 2HZ LYS 91 2HZ LYS 91 -11.339 6.527 -1.841 750 3HZ LYS 91 3HZ LYS 91 -12.569 5.838 -2.772 Start of MODEL 5 1 1H MET 1 1HT MET 1 -3.048 -25.096 13.051 2 2H MET 1 2HT MET 1 -2.064 -25.234 14.418 3 3H MET 1 3HT MET 1 -1.795 -26.230 13.084 4 HA MET 1 HA MET 1 -1.480 -23.290 13.146 5 1HB MET 1 2HB MET 1 0.900 -23.680 12.952 6 2HB MET 1 1HB MET 1 0.288 -24.508 14.375 7 1HG MET 1 2HG MET 1 0.389 -26.624 13.267 8 2HG MET 1 1HG MET 1 0.782 -25.856 11.730 9 1HE MET 1 1HE MET 1 3.087 -24.682 11.205 10 2HE MET 1 2HE MET 1 4.400 -24.517 12.371 11 3HE MET 1 3HE MET 1 2.896 -23.626 12.605 12 H SER 2 H SER 2 -2.153 -26.045 11.269 13 HA SER 2 HA SER 2 -1.020 -25.129 8.816 14 1HB SER 2 2HB SER 2 -3.266 -27.098 9.318 15 2HB SER 2 1HB SER 2 -2.450 -26.852 7.775 16 HG SER 2 HG SER 2 -1.640 -28.254 9.996 17 H ARG 3 H ARG 3 -1.632 -23.167 8.111 18 HA ARG 3 HA ARG 3 -4.526 -22.665 7.919 19 1HB ARG 3 2HB ARG 3 -3.407 -21.110 9.483 20 2HB ARG 3 1HB ARG 3 -2.333 -20.599 8.187 21 1HG ARG 3 2HG ARG 3 -4.087 -18.974 8.486 22 2HG ARG 3 1HG ARG 3 -4.282 -19.775 6.925 23 1HD ARG 3 2HD ARG 3 -6.440 -19.606 7.917 24 2HD ARG 3 1HD ARG 3 -5.948 -21.293 8.015 25 HE ARG 3 HE ARG 3 -5.544 -19.526 10.322 26 1HH1 ARG 3 1HH1 ARG 3 -7.083 -22.340 8.902 27 2HH1 ARG 3 2HH1 ARG 3 -7.773 -22.865 10.405 28 1HH2 ARG 3 1HH2 ARG 3 -6.457 -20.215 12.284 29 2HH2 ARG 3 2HH2 ARG 3 -7.423 -21.657 12.327 30 H THR 4 H THR 4 -4.805 -23.490 5.906 31 HA THR 4 HA THR 4 -3.067 -22.645 3.740 32 HB THR 4 HB THR 4 -4.679 -24.172 2.410 33 HG1 THR 4 1HG THR 4 -6.288 -24.927 3.561 34 1HG2 THR 4 1HG2 THR 4 -2.978 -25.342 4.616 35 2HG2 THR 4 2HG2 THR 4 -2.388 -24.795 3.047 36 3HG2 THR 4 3HG2 THR 4 -3.484 -26.172 3.146 37 H ILE 5 H ILE 5 -3.461 -20.730 2.872 38 HA ILE 5 HA ILE 5 -6.252 -19.854 2.545 39 HB ILE 5 HB ILE 5 -5.398 -17.602 2.187 40 1HG1 ILE 5 2HG1 ILE 5 -2.634 -18.601 2.863 41 2HG1 ILE 5 1HG1 ILE 5 -3.183 -18.470 1.194 42 1HG2 ILE 5 1HG2 ILE 5 -4.247 -18.888 4.663 43 2HG2 ILE 5 2HG2 ILE 5 -5.893 -18.289 4.465 44 3HG2 ILE 5 3HG2 ILE 5 -4.536 -17.162 4.444 45 1HD1 ILE 5 1HD1 ILE 5 -1.868 -16.536 1.908 46 2HD1 ILE 5 2HD1 ILE 5 -3.058 -16.201 3.170 47 3HD1 ILE 5 3HD1 ILE 5 -3.517 -16.095 1.470 48 H PHE 6 H PHE 6 -6.885 -18.917 0.517 49 HA PHE 6 HA PHE 6 -5.249 -19.855 -1.737 50 1HB PHE 6 2HB PHE 6 -8.203 -19.181 -1.703 51 2HB PHE 6 1HB PHE 6 -7.298 -19.805 -3.079 52 HD1 PHE 6 1HD PHE 6 -9.383 -20.656 -0.405 53 HD2 PHE 6 2HD PHE 6 -6.041 -22.073 -2.623 54 HE1 PHE 6 1HE PHE 6 -9.870 -22.952 0.337 55 HE2 PHE 6 2HE PHE 6 -6.524 -24.370 -1.892 56 HZ PHE 6 HZ PHE 6 -8.440 -24.810 -0.407 57 H CYS 7 H CYS 7 -3.903 -18.152 -1.978 58 HA CYS 7 HA CYS 7 -4.520 -15.462 -1.592 59 1HB CYS 7 2HB CYS 7 -2.458 -16.569 -3.504 60 2HB CYS 7 1HB CYS 7 -2.450 -14.978 -2.748 61 HG CYS 7 HG CYS 7 -2.539 -16.749 -0.183 62 H THR 8 H THR 8 -5.314 -13.864 -2.883 63 HA THR 8 HA THR 8 -6.959 -14.597 -5.052 64 HB THR 8 HB THR 8 -6.923 -11.998 -5.409 65 HG1 THR 8 1HG THR 8 -6.383 -11.309 -2.998 66 1HG2 THR 8 1HG2 THR 8 -8.805 -13.212 -4.446 67 2HG2 THR 8 2HG2 THR 8 -8.508 -11.732 -3.535 68 3HG2 THR 8 3HG2 THR 8 -7.982 -13.284 -2.888 69 H TYR 9 H TYR 9 -3.764 -13.129 -4.867 70 HA TYR 9 HA TYR 9 -3.515 -12.628 -7.653 71 1HB TYR 9 2HB TYR 9 -2.225 -11.350 -6.043 72 2HB TYR 9 1HB TYR 9 -1.430 -12.810 -5.464 73 HD1 TYR 9 1HD TYR 9 0.752 -13.022 -6.121 74 HD2 TYR 9 2HD TYR 9 -1.991 -11.158 -8.788 75 HE1 TYR 9 1HE TYR 9 2.564 -12.699 -7.749 76 HE2 TYR 9 2HE TYR 9 -0.185 -10.832 -10.423 77 HH TYR 9 HH TYR 9 2.201 -10.723 -10.542 78 H LEU 10 H LEU 10 -2.605 -15.335 -5.585 79 HA LEU 10 HA LEU 10 -1.129 -16.570 -7.772 80 1HB LEU 10 2HB LEU 10 -1.503 -17.467 -4.914 81 2HB LEU 10 1HB LEU 10 -0.492 -18.273 -6.097 82 HG LEU 10 HG LEU 10 -0.061 -15.462 -5.068 83 1HD1 LEU 10 1HD1 LEU 10 1.893 -16.398 -3.937 84 2HD1 LEU 10 2HD1 LEU 10 1.429 -18.014 -4.470 85 3HD1 LEU 10 3HD1 LEU 10 0.397 -17.124 -3.351 86 1HD2 LEU 10 1HD2 LEU 10 2.099 -15.636 -6.233 87 2HD2 LEU 10 2HD2 LEU 10 0.731 -15.709 -7.343 88 3HD2 LEU 10 3HD2 LEU 10 1.593 -17.185 -6.909 89 H GLN 11 H GLN 11 -4.089 -16.977 -5.961 90 HA GLN 11 HA GLN 11 -5.856 -18.365 -6.131 91 1HB GLN 11 2HB GLN 11 -4.814 -18.545 -8.949 92 2HB GLN 11 1HB GLN 11 -6.284 -19.364 -8.436 93 1HG GLN 11 2HG GLN 11 -5.778 -16.399 -8.310 94 2HG GLN 11 1HG GLN 11 -6.774 -17.233 -9.501 95 1HE2 GLN 11 1HE2 GLN 11 -7.464 -15.152 -7.548 96 2HE2 GLN 11 2HE2 GLN 11 -8.762 -15.806 -6.605 97 H ARG 12 H ARG 12 -3.422 -19.374 -5.098 98 HA ARG 12 HA ARG 12 -3.879 -22.246 -5.501 99 1HB ARG 12 2HB ARG 12 -1.135 -20.997 -5.195 100 2HB ARG 12 1HB ARG 12 -1.495 -22.700 -5.443 101 1HG ARG 12 2HG ARG 12 -2.175 -22.333 -7.679 102 2HG ARG 12 1HG ARG 12 -2.200 -20.583 -7.456 103 1HD ARG 12 2HD ARG 12 0.266 -20.702 -7.023 104 2HD ARG 12 1HD ARG 12 0.206 -22.394 -7.518 105 HE ARG 12 HE ARG 12 -0.680 -21.532 -9.693 106 1HH1 ARG 12 1HH1 ARG 12 1.403 -19.571 -7.667 107 2HH1 ARG 12 2HH1 ARG 12 1.872 -18.518 -8.965 108 1HH2 ARG 12 1HH2 ARG 12 -0.042 -20.162 -11.398 109 2HH2 ARG 12 2HH2 ARG 12 1.045 -18.845 -11.082 110 H ASP 13 H ASP 13 -2.676 -23.438 -3.599 111 HA ASP 13 HA ASP 13 -3.601 -22.133 -1.195 112 1HB ASP 13 2HB ASP 13 -3.263 -24.195 -0.064 113 2HB ASP 13 1HB ASP 13 -3.940 -24.598 -1.635 114 H ALA 14 H ALA 14 -2.446 -21.093 0.204 115 HA ALA 14 HA ALA 14 0.451 -21.486 0.342 116 1HB ALA 14 1HB ALA 14 -0.917 -18.814 0.014 117 2HB ALA 14 2HB ALA 14 0.194 -19.580 -1.123 118 3HB ALA 14 3HB ALA 14 0.779 -19.026 0.444 119 H GLU 15 H GLU 15 1.197 -19.932 2.295 120 HA GLU 15 HA GLU 15 -0.573 -20.703 4.494 121 1HB GLU 15 2HB GLU 15 1.807 -21.447 4.576 122 2HB GLU 15 1HB GLU 15 2.294 -19.756 4.633 123 1HG GLU 15 2HG GLU 15 1.209 -19.451 6.742 124 2HG GLU 15 1HG GLU 15 0.508 -21.065 6.666 125 H GLY 16 H GLY 16 -1.699 -19.251 5.573 126 1HA GLY 16 2HA GLY 16 -1.836 -16.549 4.794 127 2HA GLY 16 1HA GLY 16 -2.529 -17.225 6.264 128 H GLN 17 H GLN 17 -1.096 -14.673 5.729 129 HA GLN 17 HA GLN 17 1.479 -14.787 6.866 130 1HB GLN 17 2HB GLN 17 0.256 -12.885 5.533 131 2HB GLN 17 1HB GLN 17 -0.259 -12.366 7.130 132 1HG GLN 17 2HG GLN 17 2.621 -12.824 6.438 133 2HG GLN 17 1HG GLN 17 1.810 -11.280 6.184 134 1HE2 GLN 17 1HE2 GLN 17 4.026 -12.181 7.976 135 2HE2 GLN 17 2HE2 GLN 17 3.557 -11.651 9.553 136 H ASP 18 H ASP 18 2.110 -15.016 8.895 137 HA ASP 18 HA ASP 18 0.077 -15.574 10.856 138 1HB ASP 18 2HB ASP 18 2.011 -16.359 12.241 139 2HB ASP 18 1HB ASP 18 1.842 -17.173 10.692 140 H PHE 19 H PHE 19 -0.722 -14.103 12.075 141 HA PHE 19 HA PHE 19 -0.933 -12.579 13.717 142 1HB PHE 19 2HB PHE 19 2.074 -12.745 13.825 143 2HB PHE 19 1HB PHE 19 1.102 -11.801 14.951 144 HD1 PHE 19 1HD PHE 19 2.484 -14.995 14.214 145 HD2 PHE 19 2HD PHE 19 -0.687 -13.057 16.291 146 HE1 PHE 19 1HE PHE 19 2.165 -17.006 15.598 147 HE2 PHE 19 2HE PHE 19 -1.005 -15.058 17.683 148 HZ PHE 19 HZ PHE 19 0.423 -17.035 17.342 149 H GLN 20 H GLN 20 -1.746 -10.734 13.151 150 HA GLN 20 HA GLN 20 -0.833 -8.977 11.196 151 1HB GLN 20 2HB GLN 20 -2.506 -8.440 13.657 152 2HB GLN 20 1HB GLN 20 -2.285 -7.295 12.340 153 1HG GLN 20 2HG GLN 20 -3.340 -8.867 10.795 154 2HG GLN 20 1HG GLN 20 -3.565 -10.012 12.118 155 1HE2 GLN 20 1HE2 GLN 20 -4.510 -6.937 10.805 156 2HE2 GLN 20 2HE2 GLN 20 -5.972 -6.771 11.710 157 H LEU 21 H LEU 21 1.003 -7.904 11.155 158 HA LEU 21 HA LEU 21 2.657 -7.752 13.470 159 1HB LEU 21 2HB LEU 21 3.270 -6.301 10.921 160 2HB LEU 21 1HB LEU 21 4.370 -7.051 12.060 161 HG LEU 21 HG LEU 21 3.086 -9.249 11.221 162 1HD1 LEU 21 1HD1 LEU 21 2.712 -9.132 8.817 163 2HD1 LEU 21 2HD1 LEU 21 3.061 -7.404 8.840 164 3HD1 LEU 21 3HD1 LEU 21 1.642 -8.024 9.675 165 1HD2 LEU 21 1HD2 LEU 21 5.355 -7.931 9.741 166 2HD2 LEU 21 2HD2 LEU 21 4.972 -9.651 9.757 167 3HD2 LEU 21 3HD2 LEU 21 5.509 -8.851 11.234 168 H TYR 22 H TYR 22 0.761 -5.468 11.607 169 HA TYR 22 HA TYR 22 0.737 -3.614 13.773 170 1HB TYR 22 2HB TYR 22 2.932 -3.081 12.743 171 2HB TYR 22 1HB TYR 22 2.115 -2.714 11.231 172 HD1 TYR 22 1HD TYR 22 2.291 -1.701 14.800 173 HD2 TYR 22 2HD TYR 22 1.291 -0.551 10.831 174 HE1 TYR 22 1HE TYR 22 1.975 0.617 15.560 175 HE2 TYR 22 2HE TYR 22 0.971 1.773 11.579 176 HH TYR 22 HH TYR 22 1.947 2.853 14.700 177 HA PRO 23 HA PRO 23 -2.073 -2.017 10.156 178 1HB PRO 23 2HB PRO 23 -2.148 -4.296 8.295 179 2HB PRO 23 1HB PRO 23 -1.965 -2.576 7.949 180 1HG PRO 23 2HG PRO 23 0.082 -4.278 7.668 181 2HG PRO 23 1HG PRO 23 0.328 -2.621 8.253 182 1HD PRO 23 2HD PRO 23 0.197 -5.180 9.807 183 2HD PRO 23 1HD PRO 23 1.314 -3.812 9.984 184 H GLY 24 H GLY 24 -4.208 -2.205 10.579 185 1HA GLY 24 2HA GLY 24 -5.035 -4.637 11.979 186 2HA GLY 24 1HA GLY 24 -5.843 -3.079 12.040 187 H GLU 25 H GLU 25 -7.348 -2.547 10.525 188 HA GLU 25 HA GLU 25 -8.891 -4.608 9.468 189 1HB GLU 25 2HB GLU 25 -9.689 -2.311 9.994 190 2HB GLU 25 1HB GLU 25 -8.831 -1.720 8.578 191 1HG GLU 25 2HG GLU 25 -10.231 -3.154 7.160 192 2HG GLU 25 1HG GLU 25 -11.114 -3.676 8.595 193 H LEU 26 H LEU 26 -6.759 -2.324 7.775 194 HA LEU 26 HA LEU 26 -7.012 -3.480 5.225 195 1HB LEU 26 2HB LEU 26 -6.100 -1.236 5.612 196 2HB LEU 26 1HB LEU 26 -4.709 -1.934 6.416 197 HG LEU 26 HG LEU 26 -4.106 -3.057 4.267 198 1HD1 LEU 26 1HD1 LEU 26 -5.136 -2.238 2.206 199 2HD1 LEU 26 2HD1 LEU 26 -6.290 -1.301 3.156 200 3HD1 LEU 26 3HD1 LEU 26 -6.309 -3.062 3.235 201 1HD2 LEU 26 1HD2 LEU 26 -4.306 -0.051 4.157 202 2HD2 LEU 26 2HD2 LEU 26 -3.181 -1.059 3.247 203 3HD2 LEU 26 3HD2 LEU 26 -3.057 -0.966 5.003 204 H GLY 27 H GLY 27 -4.918 -4.134 7.942 205 1HA GLY 27 2HA GLY 27 -2.961 -5.691 6.703 206 2HA GLY 27 1HA GLY 27 -3.429 -5.813 8.393 207 H LYS 28 H LYS 28 -5.730 -6.929 8.598 208 HA LYS 28 HA LYS 28 -5.181 -9.606 7.827 209 1HB LYS 28 2HB LYS 28 -7.340 -10.158 8.886 210 2HB LYS 28 1HB LYS 28 -6.321 -9.164 9.913 211 1HG LYS 28 2HG LYS 28 -7.633 -7.206 9.382 212 2HG LYS 28 1HG LYS 28 -8.616 -8.145 8.255 213 1HD LYS 28 2HD LYS 28 -9.413 -9.543 10.076 214 2HD LYS 28 1HD LYS 28 -8.383 -8.672 11.215 215 1HE LYS 28 2HE LYS 28 -9.616 -6.612 10.766 216 2HE LYS 28 1HE LYS 28 -10.630 -7.466 9.603 217 1HZ LYS 28 1HZ LYS 28 -11.689 -7.203 11.780 218 2HZ LYS 28 2HZ LYS 28 -10.457 -8.112 12.494 219 3HZ LYS 28 3HZ LYS 28 -11.488 -8.832 11.367 220 H ARG 29 H ARG 29 -7.125 -7.082 6.448 221 HA ARG 29 HA ARG 29 -8.806 -8.587 4.799 222 1HB ARG 29 2HB ARG 29 -9.022 -6.151 5.189 223 2HB ARG 29 1HB ARG 29 -7.560 -5.887 4.251 224 1HG ARG 29 2HG ARG 29 -8.662 -6.757 2.261 225 2HG ARG 29 1HG ARG 29 -10.131 -7.051 3.198 226 1HD ARG 29 2HD ARG 29 -10.237 -4.643 3.727 227 2HD ARG 29 1HD ARG 29 -8.821 -4.377 2.712 228 HE ARG 29 HE ARG 29 -10.615 -5.624 1.069 229 1HH1 ARG 29 1HH1 ARG 29 -10.686 -2.745 3.057 230 2HH1 ARG 29 2HH1 ARG 29 -11.820 -1.911 2.048 231 1HH2 ARG 29 1HH2 ARG 29 -12.118 -4.520 -0.286 232 2HH2 ARG 29 2HH2 ARG 29 -12.629 -2.918 0.145 233 H ILE 30 H ILE 30 -5.463 -7.541 4.403 234 HA ILE 30 HA ILE 30 -5.326 -8.717 1.739 235 HB ILE 30 HB ILE 30 -3.145 -7.379 3.352 236 1HG1 ILE 30 2HG1 ILE 30 -4.841 -6.242 1.118 237 2HG1 ILE 30 1HG1 ILE 30 -5.080 -5.891 2.826 238 1HG2 ILE 30 1HG2 ILE 30 -2.264 -8.854 1.644 239 2HG2 ILE 30 2HG2 ILE 30 -2.015 -7.175 1.173 240 3HG2 ILE 30 3HG2 ILE 30 -3.306 -8.115 0.428 241 1HD1 ILE 30 1HD1 ILE 30 -2.867 -4.883 2.931 242 2HD1 ILE 30 2HD1 ILE 30 -3.877 -4.103 1.715 243 3HD1 ILE 30 3HD1 ILE 30 -2.621 -5.237 1.221 244 H TYR 31 H TYR 31 -3.875 -9.178 4.949 245 HA TYR 31 HA TYR 31 -2.024 -11.151 4.178 246 1HB TYR 31 2HB TYR 31 -3.191 -10.437 6.860 247 2HB TYR 31 1HB TYR 31 -1.942 -11.656 6.658 248 HD1 TYR 31 1HD TYR 31 -0.227 -10.385 4.605 249 HD2 TYR 31 2HD TYR 31 -2.140 -8.711 8.016 250 HE1 TYR 31 1HE TYR 31 1.500 -8.642 4.712 251 HE2 TYR 31 2HE TYR 31 -0.416 -6.962 8.132 252 HH TYR 31 HH TYR 31 1.861 -6.459 5.594 253 H ASN 32 H ASN 32 -5.420 -11.454 4.723 254 HA ASN 32 HA ASN 32 -5.199 -14.288 5.351 255 1HB ASN 32 2HB ASN 32 -7.415 -14.267 5.948 256 2HB ASN 32 1HB ASN 32 -7.030 -12.570 6.206 257 1HD2 ASN 32 1HD2 ASN 32 -7.818 -11.031 4.743 258 2HD2 ASN 32 2HD2 ASN 32 -9.101 -11.394 3.638 259 H GLU 33 H GLU 33 -5.218 -12.395 2.586 260 HA GLU 33 HA GLU 33 -5.958 -14.721 0.941 261 1HB GLU 33 2HB GLU 33 -6.690 -11.833 0.409 262 2HB GLU 33 1HB GLU 33 -6.963 -13.163 -0.710 263 1HG GLU 33 2HG GLU 33 -8.483 -14.210 0.838 264 2HG GLU 33 1HG GLU 33 -8.136 -12.985 2.055 265 H ILE 34 H ILE 34 -3.453 -13.047 1.891 266 HA ILE 34 HA ILE 34 -2.093 -13.282 -0.692 267 HB ILE 34 HB ILE 34 -2.126 -10.911 1.130 268 1HG1 ILE 34 2HG1 ILE 34 -3.473 -10.961 -0.945 269 2HG1 ILE 34 1HG1 ILE 34 -2.268 -9.677 -0.948 270 1HG2 ILE 34 1HG2 ILE 34 -0.054 -10.054 0.150 271 2HG2 ILE 34 2HG2 ILE 34 0.188 -11.592 -0.679 272 3HG2 ILE 34 3HG2 ILE 34 0.228 -11.524 1.083 273 1HD1 ILE 34 1HD1 ILE 34 -0.810 -11.100 -2.337 274 2HD1 ILE 34 2HD1 ILE 34 -2.349 -10.718 -3.111 275 3HD1 ILE 34 3HD1 ILE 34 -2.094 -12.308 -2.394 276 H SER 35 H SER 35 -0.374 -14.512 -0.588 277 HA SER 35 HA SER 35 0.531 -15.669 1.831 278 1HB SER 35 2HB SER 35 0.599 -16.824 -0.361 279 2HB SER 35 1HB SER 35 1.819 -15.673 -0.909 280 HG SER 35 HG SER 35 3.173 -17.050 -0.116 281 H LYS 36 H LYS 36 2.669 -15.550 2.689 282 HA LYS 36 HA LYS 36 3.506 -12.942 3.249 283 1HB LYS 36 2HB LYS 36 5.265 -15.371 3.521 284 2HB LYS 36 1HB LYS 36 5.232 -13.932 4.532 285 1HG LYS 36 2HG LYS 36 3.043 -14.571 5.388 286 2HG LYS 36 1HG LYS 36 3.050 -16.005 4.363 287 1HD LYS 36 2HD LYS 36 5.232 -16.615 5.550 288 2HD LYS 36 1HD LYS 36 4.788 -15.382 6.731 289 1HE LYS 36 2HE LYS 36 2.637 -16.556 7.075 290 2HE LYS 36 1HE LYS 36 3.177 -17.820 5.975 291 1HZ LYS 36 1HZ LYS 36 3.667 -18.658 8.055 292 2HZ LYS 36 2HZ LYS 36 4.180 -17.156 8.669 293 3HZ LYS 36 3HZ LYS 36 5.154 -18.004 7.569 294 H ASP 37 H ASP 37 4.562 -15.264 0.843 295 HA ASP 37 HA ASP 37 6.941 -13.854 0.137 296 1HB ASP 37 2HB ASP 37 7.197 -15.420 -1.644 297 2HB ASP 37 1HB ASP 37 6.560 -16.315 -0.271 298 H ALA 38 H ALA 38 3.645 -13.958 -1.141 299 HA ALA 38 HA ALA 38 4.122 -12.333 -3.397 300 1HB ALA 38 1HB ALA 38 2.124 -13.707 -3.211 301 2HB ALA 38 2HB ALA 38 1.685 -12.014 -3.439 302 3HB ALA 38 3HB ALA 38 1.571 -12.748 -1.838 303 H TRP 39 H TRP 39 3.144 -11.628 -0.086 304 HA TRP 39 HA TRP 39 2.811 -8.854 -0.343 305 1HB TRP 39 2HB TRP 39 2.056 -10.092 1.633 306 2HB TRP 39 1HB TRP 39 3.721 -10.485 2.041 307 HD1 TRP 39 HD TRP 39 5.090 -8.725 3.392 308 HE1 TRP 39 1HE TRP 39 4.536 -6.435 4.429 309 HE3 TRP 39 3HE TRP 39 0.528 -7.950 1.230 310 HZ2 TRP 39 2HZ TRP 39 2.436 -4.548 4.340 311 HZ3 TRP 39 3HZ TRP 39 -0.686 -5.874 1.761 312 HH2 TRP 39 HH TRP 39 0.245 -4.216 3.285 313 H ALA 40 H ALA 40 5.646 -10.803 0.521 314 HA ALA 40 HA ALA 40 7.406 -8.655 0.980 315 1HB ALA 40 1HB ALA 40 8.075 -11.457 0.101 316 2HB ALA 40 2HB ALA 40 7.810 -10.942 1.765 317 3HB ALA 40 3HB ALA 40 9.179 -10.306 0.852 318 H GLN 41 H GLN 41 6.746 -10.564 -1.931 319 HA GLN 41 HA GLN 41 8.737 -9.506 -3.583 320 1HB GLN 41 2HB GLN 41 6.021 -10.647 -4.201 321 2HB GLN 41 1HB GLN 41 7.122 -10.122 -5.466 322 1HG GLN 41 2HG GLN 41 7.792 -12.187 -3.385 323 2HG GLN 41 1HG GLN 41 7.177 -12.556 -4.994 324 1HE2 GLN 41 1HE2 GLN 41 9.897 -11.440 -3.148 325 2HE2 GLN 41 2HE2 GLN 41 11.060 -11.546 -4.426 326 H TRP 42 H TRP 42 5.442 -8.333 -2.945 327 HA TRP 42 HA TRP 42 5.579 -6.238 -4.841 328 1HB TRP 42 2HB TRP 42 3.420 -6.991 -4.004 329 2HB TRP 42 1HB TRP 42 3.849 -6.475 -2.374 330 HD1 TRP 42 HD TRP 42 2.489 -4.374 -1.825 331 HE1 TRP 42 1HE TRP 42 1.912 -2.179 -3.039 332 HE3 TRP 42 3HE TRP 42 4.599 -5.366 -6.379 333 HZ2 TRP 42 2HZ TRP 42 2.287 -1.025 -5.577 334 HZ3 TRP 42 3HZ TRP 42 4.443 -3.662 -8.146 335 HH2 TRP 42 HH TRP 42 3.308 -1.534 -7.750 336 H GLN 43 H GLN 43 6.286 -6.354 -1.357 337 HA GLN 43 HA GLN 43 6.806 -3.626 -1.005 338 1HB GLN 43 2HB GLN 43 8.143 -5.949 0.389 339 2HB GLN 43 1HB GLN 43 8.158 -4.280 0.939 340 1HG GLN 43 2HG GLN 43 5.618 -4.456 1.006 341 2HG GLN 43 1HG GLN 43 5.856 -6.198 0.850 342 1HE2 GLN 43 1HE2 GLN 43 6.167 -3.433 2.882 343 2HE2 GLN 43 2HE2 GLN 43 6.581 -4.278 4.333 344 H HIS 44 H HIS 44 8.839 -6.229 -2.187 345 HA HIS 44 HA HIS 44 11.305 -4.912 -2.252 346 1HB HIS 44 2HB HIS 44 10.992 -7.332 -2.646 347 2HB HIS 44 1HB HIS 44 10.213 -6.973 -4.181 348 HD1 HIS 44 1HD HIS 44 11.741 -7.375 -6.075 349 HD2 HIS 44 2HD HIS 44 13.787 -6.051 -2.709 350 HE1 HIS 44 1HE HIS 44 14.166 -7.338 -6.729 351 HE2 HIS 44 2HE HIS 44 15.397 -6.678 -4.633 352 H LYS 45 H LYS 45 8.803 -5.178 -4.765 353 HA LYS 45 HA LYS 45 10.165 -3.505 -6.618 354 1HB LYS 45 2HB LYS 45 8.597 -5.134 -7.425 355 2HB LYS 45 1HB LYS 45 7.305 -4.448 -6.453 356 1HG LYS 45 2HG LYS 45 7.102 -3.892 -8.829 357 2HG LYS 45 1HG LYS 45 7.270 -2.460 -7.815 358 1HD LYS 45 2HD LYS 45 8.631 -2.176 -9.774 359 2HD LYS 45 1HD LYS 45 9.687 -2.406 -8.383 360 1HE LYS 45 2HE LYS 45 10.021 -4.735 -9.008 361 2HE LYS 45 1HE LYS 45 8.928 -4.537 -10.377 362 1HZ LYS 45 1HZ LYS 45 10.466 -2.848 -11.255 363 2HZ LYS 45 2HZ LYS 45 11.190 -4.368 -11.118 364 3HZ LYS 45 3HZ LYS 45 11.532 -3.164 -9.983 365 H GLN 46 H GLN 46 7.669 -2.936 -4.197 366 HA GLN 46 HA GLN 46 6.994 -0.318 -4.957 367 1HB GLN 46 2HB GLN 46 5.699 -1.711 -3.349 368 2HB GLN 46 1HB GLN 46 6.974 -1.468 -2.163 369 1HG GLN 46 2HG GLN 46 5.095 0.025 -1.768 370 2HG GLN 46 1HG GLN 46 6.558 0.924 -2.171 371 1HE2 GLN 46 1HE2 GLN 46 6.691 1.992 -4.137 372 2HE2 GLN 46 2HE2 GLN 46 5.297 2.303 -5.109 373 H THR 47 H THR 47 9.483 -1.544 -2.765 374 HA THR 47 HA THR 47 10.434 0.997 -1.940 375 HB THR 47 HB THR 47 11.958 -1.619 -2.027 376 HG1 THR 47 1HG THR 47 10.245 -2.041 -0.740 377 1HG2 THR 47 1HG2 THR 47 13.250 -0.639 -0.181 378 2HG2 THR 47 2HG2 THR 47 12.336 0.863 -0.342 379 3HG2 THR 47 3HG2 THR 47 13.392 0.327 -1.651 380 H MET 48 H MET 48 11.296 -1.201 -4.569 381 HA MET 48 HA MET 48 13.504 0.202 -5.577 382 1HB MET 48 2HB MET 48 12.889 -2.078 -6.291 383 2HB MET 48 1HB MET 48 11.456 -1.442 -7.085 384 1HG MET 48 2HG MET 48 12.826 -0.209 -8.649 385 2HG MET 48 1HG MET 48 14.290 -0.741 -7.821 386 1HE MET 48 1HE MET 48 14.435 -2.694 -11.215 387 2HE MET 48 2HE MET 48 15.340 -1.677 -10.095 388 3HE MET 48 3HE MET 48 13.913 -1.037 -10.911 389 H LEU 49 H LEU 49 10.038 0.498 -6.233 390 HA LEU 49 HA LEU 49 10.083 2.516 -8.156 391 1HB LEU 49 2HB LEU 49 8.145 1.466 -6.219 392 2HB LEU 49 1HB LEU 49 7.886 3.147 -6.635 393 HG LEU 49 HG LEU 49 7.683 2.577 -8.985 394 1HD1 LEU 49 1HD1 LEU 49 9.227 0.724 -9.118 395 2HD1 LEU 49 2HD1 LEU 49 7.639 0.232 -9.710 396 3HD1 LEU 49 3HD1 LEU 49 8.171 -0.260 -8.103 397 1HD2 LEU 49 1HD2 LEU 49 5.609 1.289 -8.880 398 2HD2 LEU 49 2HD2 LEU 49 5.677 2.513 -7.613 399 3HD2 LEU 49 3HD2 LEU 49 5.984 0.820 -7.222 400 H ILE 50 H ILE 50 10.262 2.741 -4.641 401 HA ILE 50 HA ILE 50 10.126 5.568 -4.490 402 HB ILE 50 HB ILE 50 11.385 3.635 -2.533 403 1HG1 ILE 50 2HG1 ILE 50 8.602 4.816 -2.600 404 2HG1 ILE 50 1HG1 ILE 50 9.001 3.165 -3.056 405 1HG2 ILE 50 1HG2 ILE 50 12.102 5.943 -2.163 406 2HG2 ILE 50 2HG2 ILE 50 11.024 5.403 -0.876 407 3HG2 ILE 50 3HG2 ILE 50 10.418 6.468 -2.144 408 1HD1 ILE 50 1HD1 ILE 50 8.057 3.285 -0.820 409 2HD1 ILE 50 2HD1 ILE 50 9.356 4.370 -0.321 410 3HD1 ILE 50 3HD1 ILE 50 9.721 2.705 -0.779 411 H ASN 51 H ASN 51 12.786 3.287 -4.821 412 HA ASN 51 HA ASN 51 14.846 5.236 -4.465 413 1HB ASN 51 2HB ASN 51 14.908 2.438 -5.608 414 2HB ASN 51 1HB ASN 51 16.343 3.429 -5.365 415 1HD2 ASN 51 1HD2 ASN 51 15.585 0.860 -4.185 416 2HD2 ASN 51 2HD2 ASN 51 15.604 1.100 -2.474 417 H GLU 52 H GLU 52 13.274 3.773 -7.279 418 HA GLU 52 HA GLU 52 15.033 5.065 -9.146 419 1HB GLU 52 2HB GLU 52 12.406 3.645 -9.585 420 2HB GLU 52 1HB GLU 52 13.477 4.198 -10.860 421 1HG GLU 52 2HG GLU 52 15.229 2.696 -9.957 422 2HG GLU 52 1HG GLU 52 14.041 2.074 -8.810 423 H LYS 53 H LYS 53 11.624 5.515 -8.215 424 HA LYS 53 HA LYS 53 11.465 7.768 -10.075 425 1HB LYS 53 2HB LYS 53 9.206 6.537 -8.508 426 2HB LYS 53 1HB LYS 53 9.099 7.531 -9.954 427 1HG LYS 53 2HG LYS 53 10.131 5.762 -11.267 428 2HG LYS 53 1HG LYS 53 10.282 4.765 -9.818 429 1HD LYS 53 2HD LYS 53 7.791 4.878 -9.589 430 2HD LYS 53 1HD LYS 53 7.740 5.681 -11.159 431 1HE LYS 53 2HE LYS 53 8.807 2.919 -10.587 432 2HE LYS 53 1HE LYS 53 7.305 3.311 -11.421 433 1HZ LYS 53 1HZ LYS 53 10.033 3.977 -12.381 434 2HZ LYS 53 2HZ LYS 53 8.590 4.351 -13.179 435 3HZ LYS 53 3HZ LYS 53 9.050 2.737 -12.975 436 H LYS 54 H LYS 54 11.875 7.182 -6.769 437 HA LYS 54 HA LYS 54 11.774 8.451 -4.888 438 1HB LYS 54 2HB LYS 54 12.164 10.647 -6.928 439 2HB LYS 54 1HB LYS 54 12.292 10.879 -5.190 440 1HG LYS 54 2HG LYS 54 14.012 9.038 -6.838 441 2HG LYS 54 1HG LYS 54 14.480 10.633 -6.248 442 1HD LYS 54 2HD LYS 54 14.163 9.839 -3.932 443 2HD LYS 54 1HD LYS 54 13.771 8.235 -4.558 444 1HE LYS 54 2HE LYS 54 16.101 8.376 -3.819 445 2HE LYS 54 1HE LYS 54 15.982 8.060 -5.550 446 1HZ LYS 54 1HZ LYS 54 16.465 10.344 -6.004 447 2HZ LYS 54 2HZ LYS 54 17.661 9.742 -4.975 448 3HZ LYS 54 3HZ LYS 54 16.441 10.738 -4.361 449 H LEU 55 H LEU 55 9.342 7.647 -5.477 450 HA LEU 55 HA LEU 55 7.561 9.924 -5.563 451 1HB LEU 55 2HB LEU 55 5.874 7.879 -5.139 452 2HB LEU 55 1HB LEU 55 6.419 8.379 -6.723 453 HG LEU 55 HG LEU 55 8.253 6.604 -6.463 454 1HD1 LEU 55 1HD1 LEU 55 8.016 6.233 -4.070 455 2HD1 LEU 55 2HD1 LEU 55 7.707 4.749 -4.971 456 3HD1 LEU 55 3HD1 LEU 55 6.360 5.676 -4.309 457 1HD2 LEU 55 1HD2 LEU 55 6.754 4.865 -7.266 458 2HD2 LEU 55 2HD2 LEU 55 6.325 6.429 -7.963 459 3HD2 LEU 55 3HD2 LEU 55 5.365 5.758 -6.644 460 H ASN 56 H ASN 56 8.397 10.831 -3.613 461 HA ASN 56 HA ASN 56 8.046 9.620 -1.086 462 1HB ASN 56 2HB ASN 56 8.205 12.533 -1.885 463 2HB ASN 56 1HB ASN 56 8.150 11.984 -0.212 464 1HD2 ASN 56 1HD2 ASN 56 9.927 10.929 0.661 465 2HD2 ASN 56 2HD2 ASN 56 11.479 10.947 -0.103 466 H MET 57 H MET 57 6.357 9.586 0.308 467 HA MET 57 HA MET 57 3.782 9.826 -0.945 468 1HB MET 57 2HB MET 57 4.441 9.022 1.891 469 2HB MET 57 1HB MET 57 2.913 8.761 1.059 470 1HG MET 57 2HG MET 57 5.570 7.517 0.400 471 2HG MET 57 1HG MET 57 4.173 6.713 1.111 472 1HE MET 57 1HE MET 57 4.655 4.855 -0.872 473 2HE MET 57 2HE MET 57 5.920 5.880 -1.548 474 3HE MET 57 3HE MET 57 4.631 5.271 -2.586 475 H MET 58 H MET 58 5.645 12.103 0.351 476 HA MET 58 HA MET 58 3.912 13.545 2.042 477 1HB MET 58 2HB MET 58 5.306 15.495 1.524 478 2HB MET 58 1HB MET 58 6.296 14.085 1.876 479 1HG MET 58 2HG MET 58 6.684 13.748 -0.496 480 2HG MET 58 1HG MET 58 5.643 15.118 -0.874 481 1HE MET 58 1HE MET 58 9.268 16.378 -1.755 482 2HE MET 58 2HE MET 58 7.628 16.159 -2.365 483 3HE MET 58 3HE MET 58 8.612 14.754 -1.957 484 H ASN 59 H ASN 59 3.959 13.009 -1.338 485 HA ASN 59 HA ASN 59 1.889 15.053 -1.755 486 1HB ASN 59 2HB ASN 59 3.728 13.631 -3.681 487 2HB ASN 59 1HB ASN 59 2.320 14.536 -4.222 488 1HD2 ASN 59 1HD2 ASN 59 2.292 16.764 -4.008 489 2HD2 ASN 59 2HD2 ASN 59 3.739 17.674 -3.744 490 H ALA 60 H ALA 60 -0.154 14.421 -2.049 491 HA ALA 60 HA ALA 60 -0.937 11.776 -1.523 492 1HB ALA 60 1HB ALA 60 -2.353 13.675 -1.010 493 2HB ALA 60 2HB ALA 60 -3.200 12.542 -2.061 494 3HB ALA 60 3HB ALA 60 -2.530 14.030 -2.730 495 H GLU 61 H GLU 61 -0.211 13.396 -4.495 496 HA GLU 61 HA GLU 61 -1.490 11.648 -6.296 497 1HB GLU 61 2HB GLU 61 1.064 13.225 -6.658 498 2HB GLU 61 1HB GLU 61 0.078 12.548 -7.951 499 1HG GLU 61 2HG GLU 61 -1.655 14.054 -7.586 500 2HG GLU 61 1HG GLU 61 -1.077 14.469 -5.975 501 H HIS 62 H HIS 62 1.794 11.639 -4.955 502 HA HIS 62 HA HIS 62 2.484 9.190 -6.290 503 1HB HIS 62 2HB HIS 62 3.913 10.649 -4.054 504 2HB HIS 62 1HB HIS 62 4.577 9.318 -4.991 505 HD1 HIS 62 1HD HIS 62 5.802 9.953 -7.126 506 HD2 HIS 62 2HD HIS 62 3.478 13.046 -5.621 507 HE1 HIS 62 1HE HIS 62 6.346 11.956 -8.537 508 HE2 HIS 62 2HE HIS 62 4.747 13.735 -7.757 509 H ARG 63 H ARG 63 1.121 10.147 -3.259 510 HA ARG 63 HA ARG 63 1.592 7.699 -1.882 511 1HB ARG 63 2HB ARG 63 1.062 10.002 -0.879 512 2HB ARG 63 1HB ARG 63 -0.615 9.654 -1.264 513 1HG ARG 63 2HG ARG 63 1.028 7.780 0.400 514 2HG ARG 63 1HG ARG 63 0.199 9.167 1.103 515 1HD ARG 63 2HD ARG 63 -1.928 8.339 0.411 516 2HD ARG 63 1HD ARG 63 -1.182 7.070 -0.555 517 HE ARG 63 HE ARG 63 -0.465 6.896 2.209 518 1HH1 ARG 63 1HH1 ARG 63 -2.990 6.173 -0.095 519 2HH1 ARG 63 2HH1 ARG 63 -3.597 4.804 0.794 520 1HH2 ARG 63 1HH2 ARG 63 -1.260 5.119 3.393 521 2HH2 ARG 63 2HH2 ARG 63 -2.616 4.218 2.789 522 H LYS 64 H LYS 64 -1.092 8.959 -3.848 523 HA LYS 64 HA LYS 64 -2.762 6.711 -3.346 524 1HB LYS 64 2HB LYS 64 -4.153 7.461 -5.179 525 2HB LYS 64 1HB LYS 64 -3.686 8.835 -4.193 526 1HG LYS 64 2HG LYS 64 -2.140 9.595 -5.816 527 2HG LYS 64 1HG LYS 64 -2.277 8.098 -6.742 528 1HD LYS 64 2HD LYS 64 -3.527 9.962 -7.762 529 2HD LYS 64 1HD LYS 64 -4.573 8.618 -7.309 530 1HE LYS 64 2HE LYS 64 -5.569 10.780 -6.735 531 2HE LYS 64 1HE LYS 64 -5.256 9.805 -5.300 532 1HZ LYS 64 1HZ LYS 64 -3.573 12.042 -6.290 533 2HZ LYS 64 2HZ LYS 64 -3.236 11.097 -4.927 534 3HZ LYS 64 3HZ LYS 64 -4.601 12.091 -4.950 535 H LEU 65 H LEU 65 -0.185 7.369 -5.633 536 HA LEU 65 HA LEU 65 -0.473 5.182 -7.324 537 1HB LEU 65 2HB LEU 65 2.027 6.429 -6.192 538 2HB LEU 65 1HB LEU 65 2.049 5.192 -7.431 539 HG LEU 65 HG LEU 65 0.839 7.943 -7.687 540 1HD1 LEU 65 1HD1 LEU 65 3.276 7.936 -7.735 541 2HD1 LEU 65 2HD1 LEU 65 2.613 8.292 -9.330 542 3HD1 LEU 65 3HD1 LEU 65 3.255 6.688 -8.979 543 1HD2 LEU 65 1HD2 LEU 65 0.527 7.303 -10.063 544 2HD2 LEU 65 2HD2 LEU 65 -0.485 6.383 -8.949 545 3HD2 LEU 65 3HD2 LEU 65 0.964 5.650 -9.635 546 H LEU 66 H LEU 66 1.321 5.344 -4.269 547 HA LEU 66 HA LEU 66 1.966 2.705 -3.867 548 1HB LEU 66 2HB LEU 66 2.700 4.382 -2.338 549 2HB LEU 66 1HB LEU 66 1.055 4.822 -1.928 550 HG LEU 66 HG LEU 66 0.812 2.527 -0.893 551 1HD1 LEU 66 1HD1 LEU 66 2.853 1.355 -0.270 552 2HD1 LEU 66 2HD1 LEU 66 3.807 2.506 -1.207 553 3HD1 LEU 66 3HD1 LEU 66 2.666 1.434 -2.022 554 1HD2 LEU 66 1HD2 LEU 66 1.140 4.542 0.441 555 2HD2 LEU 66 2HD2 LEU 66 2.889 4.369 0.283 556 3HD2 LEU 66 3HD2 LEU 66 1.957 3.156 1.162 557 H GLU 67 H GLU 67 -1.087 4.296 -3.039 558 HA GLU 67 HA GLU 67 -2.297 2.068 -1.814 559 1HB GLU 67 2HB GLU 67 -2.953 4.489 -1.580 560 2HB GLU 67 1HB GLU 67 -3.699 4.373 -3.167 561 1HG GLU 67 2HG GLU 67 -5.399 4.133 -1.523 562 2HG GLU 67 1HG GLU 67 -5.149 2.562 -2.283 563 H GLN 68 H GLN 68 -2.790 3.462 -5.047 564 HA GLN 68 HA GLN 68 -4.757 1.623 -5.845 565 1HB GLN 68 2HB GLN 68 -2.910 3.341 -7.508 566 2HB GLN 68 1HB GLN 68 -4.299 2.469 -8.139 567 1HG GLN 68 2HG GLN 68 -5.789 3.782 -6.754 568 2HG GLN 68 1HG GLN 68 -4.416 4.615 -6.030 569 1HE2 GLN 68 1HE2 GLN 68 -6.370 4.235 -8.872 570 2HE2 GLN 68 2HE2 GLN 68 -5.828 5.662 -9.683 571 H GLU 69 H GLU 69 -1.266 1.744 -6.662 572 HA GLU 69 HA GLU 69 -1.448 -0.558 -8.309 573 1HB GLU 69 2HB GLU 69 0.973 0.774 -7.096 574 2HB GLU 69 1HB GLU 69 1.045 -0.533 -8.274 575 1HG GLU 69 2HG GLU 69 -0.494 1.059 -9.671 576 2HG GLU 69 1HG GLU 69 0.201 2.299 -8.632 577 H MET 70 H MET 70 -0.840 -0.132 -4.891 578 HA MET 70 HA MET 70 0.187 -2.673 -4.302 579 1HB MET 70 2HB MET 70 0.085 -0.785 -2.696 580 2HB MET 70 1HB MET 70 -1.658 -0.984 -2.601 581 1HG MET 70 2HG MET 70 0.165 -3.259 -1.941 582 2HG MET 70 1HG MET 70 -0.149 -1.992 -0.758 583 1HE MET 70 1HE MET 70 -3.956 -2.334 -0.085 584 2HE MET 70 2HE MET 70 -3.201 -1.236 -1.241 585 3HE MET 70 3HE MET 70 -2.453 -1.511 0.332 586 H VAL 71 H VAL 71 -3.188 -1.535 -4.263 587 HA VAL 71 HA VAL 71 -4.339 -4.052 -3.723 588 HB VAL 71 HB VAL 71 -5.621 -1.758 -5.229 589 1HG1 VAL 71 1HG1 VAL 71 -7.725 -2.696 -4.316 590 2HG1 VAL 71 2HG1 VAL 71 -6.807 -4.068 -3.694 591 3HG1 VAL 71 3HG1 VAL 71 -6.906 -3.789 -5.431 592 1HG2 VAL 71 1HG2 VAL 71 -4.732 -0.977 -3.107 593 2HG2 VAL 71 2HG2 VAL 71 -5.540 -2.301 -2.264 594 3HG2 VAL 71 3HG2 VAL 71 -6.494 -1.045 -3.055 595 H SER 72 H SER 72 -3.317 -2.494 -6.665 596 HA SER 72 HA SER 72 -4.757 -4.154 -8.459 597 1HB SER 72 2HB SER 72 -2.279 -2.499 -8.962 598 2HB SER 72 1HB SER 72 -3.371 -3.132 -10.192 599 HG SER 72 HG SER 72 -3.905 -1.165 -8.218 600 H PHE 73 H PHE 73 -1.520 -4.331 -7.055 601 HA PHE 73 HA PHE 73 -0.782 -6.523 -8.799 602 1HB PHE 73 2HB PHE 73 0.899 -4.843 -8.127 603 2HB PHE 73 1HB PHE 73 0.710 -5.334 -6.447 604 HD1 PHE 73 1HD PHE 73 1.859 -7.187 -5.585 605 HD2 PHE 73 2HD PHE 73 1.826 -6.484 -9.783 606 HE1 PHE 73 1HE PHE 73 3.593 -8.906 -5.880 607 HE2 PHE 73 2HE PHE 73 3.556 -8.206 -10.088 608 HZ PHE 73 HZ PHE 73 4.442 -9.417 -8.138 609 H LEU 74 H LEU 74 -1.692 -6.064 -5.421 610 HA LEU 74 HA LEU 74 -1.072 -8.822 -4.802 611 1HB LEU 74 2HB LEU 74 -2.198 -6.585 -3.133 612 2HB LEU 74 1HB LEU 74 -1.898 -8.200 -2.522 613 HG LEU 74 HG LEU 74 0.214 -6.347 -3.632 614 1HD1 LEU 74 1HD1 LEU 74 -0.417 -7.138 -0.794 615 2HD1 LEU 74 2HD1 LEU 74 -0.657 -5.545 -1.511 616 3HD1 LEU 74 3HD1 LEU 74 0.973 -6.186 -1.309 617 1HD2 LEU 74 1HD2 LEU 74 0.773 -8.679 -3.996 618 2HD2 LEU 74 2HD2 LEU 74 0.428 -9.046 -2.307 619 3HD2 LEU 74 3HD2 LEU 74 1.785 -8.001 -2.722 620 H PHE 75 H PHE 75 -4.003 -6.817 -5.024 621 HA PHE 75 HA PHE 75 -5.591 -9.206 -4.421 622 1HB PHE 75 2HB PHE 75 -5.912 -7.053 -3.124 623 2HB PHE 75 1HB PHE 75 -6.577 -6.359 -4.596 624 HD1 PHE 75 1HD PHE 75 -8.820 -6.675 -5.158 625 HD2 PHE 75 2HD PHE 75 -7.045 -9.093 -2.141 626 HE1 PHE 75 1HE PHE 75 -11.037 -7.565 -4.574 627 HE2 PHE 75 2HE PHE 75 -9.259 -9.991 -1.552 628 HZ PHE 75 HZ PHE 75 -11.259 -9.227 -2.767 629 H GLU 76 H GLU 76 -4.849 -6.962 -6.933 630 HA GLU 76 HA GLU 76 -5.340 -6.856 -9.136 631 1HB GLU 76 2HB GLU 76 -6.299 -9.683 -8.677 632 2HB GLU 76 1HB GLU 76 -6.162 -8.933 -10.260 633 1HG GLU 76 2HG GLU 76 -3.723 -8.564 -9.740 634 2HG GLU 76 1HG GLU 76 -3.957 -9.614 -8.341 635 H GLY 77 H GLY 77 -7.380 -6.146 -7.053 636 1HA GLY 77 2HA GLY 77 -9.638 -5.933 -8.903 637 2HA GLY 77 1HA GLY 77 -9.932 -6.690 -7.344 638 H LYS 78 H LYS 78 -8.845 -3.706 -8.895 639 HA LYS 78 HA LYS 78 -10.052 -2.264 -6.637 640 1HB LYS 78 2HB LYS 78 -8.424 -0.405 -7.068 641 2HB LYS 78 1HB LYS 78 -7.711 -1.870 -6.421 642 1HG LYS 78 2HG LYS 78 -6.201 -1.164 -8.036 643 2HG LYS 78 1HG LYS 78 -7.115 -2.435 -8.839 644 1HD LYS 78 2HD LYS 78 -8.458 -0.795 -10.003 645 2HD LYS 78 1HD LYS 78 -7.680 0.514 -9.111 646 1HE LYS 78 2HE LYS 78 -6.786 0.275 -11.391 647 2HE LYS 78 1HE LYS 78 -5.559 0.019 -10.156 648 1HZ LYS 78 1HZ LYS 78 -5.794 -2.357 -10.455 649 2HZ LYS 78 2HZ LYS 78 -5.400 -1.616 -11.921 650 3HZ LYS 78 3HZ LYS 78 -6.986 -2.122 -11.630 651 H ASP 79 H ASP 79 -11.110 -0.303 -7.133 652 HA ASP 79 HA ASP 79 -12.060 -0.207 -9.915 653 1HB ASP 79 2HB ASP 79 -13.753 -0.540 -8.107 654 2HB ASP 79 1HB ASP 79 -13.304 1.028 -7.444 655 H VAL 80 H VAL 80 -10.017 1.359 -7.772 656 HA VAL 80 HA VAL 80 -10.427 4.044 -8.743 657 HB VAL 80 HB VAL 80 -7.992 3.124 -7.235 658 1HG1 VAL 80 1HG1 VAL 80 -8.019 5.399 -6.370 659 2HG1 VAL 80 2HG1 VAL 80 -9.495 5.736 -7.274 660 3HG1 VAL 80 3HG1 VAL 80 -7.994 5.395 -8.132 661 1HG2 VAL 80 1HG2 VAL 80 -9.184 3.600 -5.137 662 2HG2 VAL 80 2HG2 VAL 80 -9.886 2.237 -6.009 663 3HG2 VAL 80 3HG2 VAL 80 -10.679 3.812 -6.050 664 H HIS 81 H HIS 81 -10.079 4.019 -10.938 665 HA HIS 81 HA HIS 81 -7.868 2.714 -12.151 666 1HB HIS 81 2HB HIS 81 -8.549 3.968 -14.207 667 2HB HIS 81 1HB HIS 81 -9.834 3.023 -13.475 668 HD1 HIS 81 1HD HIS 81 -11.997 4.222 -13.324 669 HD2 HIS 81 2HD HIS 81 -8.776 6.847 -13.349 670 HE1 HIS 81 1HE HIS 81 -13.002 6.527 -13.377 671 HE2 HIS 81 2HE HIS 81 -11.029 8.077 -13.633 672 H ILE 82 H ILE 82 -6.053 3.592 -13.156 673 HA ILE 82 HA ILE 82 -5.097 6.075 -11.894 674 HB ILE 82 HB ILE 82 -3.391 3.949 -13.198 675 1HG1 ILE 82 2HG1 ILE 82 -4.113 4.182 -10.266 676 2HG1 ILE 82 1HG1 ILE 82 -4.756 2.965 -11.363 677 1HG2 ILE 82 1HG2 ILE 82 -1.629 4.923 -11.777 678 2HG2 ILE 82 2HG2 ILE 82 -2.784 6.122 -11.192 679 3HG2 ILE 82 3HG2 ILE 82 -2.317 6.102 -12.894 680 1HD1 ILE 82 1HD1 ILE 82 -1.869 3.288 -10.572 681 2HD1 ILE 82 2HD1 ILE 82 -2.508 2.067 -11.674 682 3HD1 ILE 82 3HD1 ILE 82 -2.988 2.060 -9.976 683 H GLU 83 H GLU 83 -5.309 7.767 -13.245 684 HA GLU 83 HA GLU 83 -4.886 7.325 -16.125 685 1HB GLU 83 2HB GLU 83 -6.482 9.464 -14.704 686 2HB GLU 83 1HB GLU 83 -6.236 9.393 -16.444 687 1HG GLU 83 2HG GLU 83 -7.431 7.325 -16.588 688 2HG GLU 83 1HG GLU 83 -7.544 7.217 -14.834 689 H GLY 84 H GLY 84 -3.130 8.265 -13.635 690 1HA GLY 84 2HA GLY 84 -0.964 9.203 -13.935 691 2HA GLY 84 1HA GLY 84 -1.591 10.125 -15.295 692 H TYR 85 H TYR 85 -0.606 11.994 -14.347 693 HA TYR 85 HA TYR 85 -1.953 12.967 -11.925 694 1HB TYR 85 2HB TYR 85 -0.009 14.479 -11.653 695 2HB TYR 85 1HB TYR 85 0.449 12.779 -11.647 696 HD1 TYR 85 1HD TYR 85 1.516 11.795 -13.698 697 HD2 TYR 85 2HD TYR 85 0.884 15.982 -13.257 698 HE1 TYR 85 1HE TYR 85 3.162 12.225 -15.469 699 HE2 TYR 85 2HE TYR 85 2.527 16.420 -15.033 700 HH TYR 85 HH TYR 85 3.666 14.021 -17.111 701 H THR 86 H THR 86 -2.017 13.310 -15.209 702 HA THR 86 HA THR 86 -2.823 16.135 -15.060 703 HB THR 86 HB THR 86 -2.097 14.587 -17.554 704 HG1 THR 86 1HG THR 86 -0.224 16.256 -17.227 705 1HG2 THR 86 1HG2 THR 86 -2.379 17.556 -17.064 706 2HG2 THR 86 2HG2 THR 86 -3.571 16.546 -17.880 707 3HG2 THR 86 3HG2 THR 86 -1.977 16.782 -18.596 708 HA PRO 87 HA PRO 87 -6.873 14.333 -15.896 709 1HB PRO 87 2HB PRO 87 -8.321 16.261 -14.757 710 2HB PRO 87 1HB PRO 87 -7.391 15.128 -13.770 711 1HG PRO 87 2HG PRO 87 -6.771 17.954 -14.504 712 2HG PRO 87 1HG PRO 87 -6.499 17.107 -12.971 713 1HD PRO 87 2HD PRO 87 -4.579 17.537 -14.954 714 2HD PRO 87 1HD PRO 87 -4.463 16.350 -13.641 715 H GLU 88 H GLU 88 -8.932 15.418 -16.826 716 HA GLU 88 HA GLU 88 -8.373 17.669 -18.589 717 1HB GLU 88 2HB GLU 88 -9.474 16.462 -20.494 718 2HB GLU 88 1HB GLU 88 -7.894 15.836 -20.048 719 1HG GLU 88 2HG GLU 88 -8.959 14.009 -18.828 720 2HG GLU 88 1HG GLU 88 -10.545 14.639 -19.272 721 H ASP 89 H ASP 89 -10.484 18.412 -19.653 722 HA ASP 89 HA ASP 89 -12.347 18.706 -17.466 723 1HB ASP 89 2HB ASP 89 -12.393 19.924 -20.233 724 2HB ASP 89 1HB ASP 89 -13.468 20.360 -18.908 725 H LYS 90 H LYS 90 -14.630 18.455 -17.670 726 HA LYS 90 HA LYS 90 -15.362 16.215 -19.437 727 1HB LYS 90 2HB LYS 90 -15.273 15.799 -16.926 728 2HB LYS 90 1HB LYS 90 -16.622 16.914 -16.779 729 1HG LYS 90 2HG LYS 90 -17.593 14.795 -16.769 730 2HG LYS 90 1HG LYS 90 -17.847 15.390 -18.408 731 1HD LYS 90 2HD LYS 90 -17.139 13.088 -18.505 732 2HD LYS 90 1HD LYS 90 -15.853 14.117 -19.133 733 1HE LYS 90 2HE LYS 90 -14.963 12.360 -17.687 734 2HE LYS 90 1HE LYS 90 -14.666 13.959 -17.014 735 1HZ LYS 90 1HZ LYS 90 -15.433 12.344 -15.350 736 2HZ LYS 90 2HZ LYS 90 -16.890 12.172 -16.189 737 3HZ LYS 90 3HZ LYS 90 -16.486 13.657 -15.494 738 H LYS 91 H LYS 91 -17.040 16.542 -20.805 739 HA LYS 91 HA LYS 91 -18.757 18.889 -20.315 740 1HB LYS 91 2HB LYS 91 -17.976 17.607 -22.941 741 2HB LYS 91 1HB LYS 91 -19.204 18.854 -22.780 742 1HG LYS 91 2HG LYS 91 -17.461 20.354 -21.829 743 2HG LYS 91 1HG LYS 91 -16.264 19.112 -22.199 744 1HD LYS 91 2HD LYS 91 -16.271 20.739 -23.975 745 2HD LYS 91 1HD LYS 91 -16.950 19.229 -24.582 746 1HE LYS 91 2HE LYS 91 -19.209 20.121 -24.291 747 2HE LYS 91 1HE LYS 91 -18.538 21.622 -23.658 748 1HZ LYS 91 1HZ LYS 91 -17.468 21.995 -25.792 749 2HZ LYS 91 2HZ LYS 91 -19.139 21.844 -25.978 750 3HZ LYS 91 3HZ LYS 91 -18.124 20.561 -26.401 Start of MODEL 6 1 1H MET 1 1HT MET 1 2.388 -26.829 9.866 2 2H MET 1 2HT MET 1 1.365 -27.727 10.865 3 3H MET 1 3HT MET 1 2.678 -26.898 11.529 4 HA MET 1 HA MET 1 0.577 -25.773 11.951 5 1HB MET 1 2HB MET 1 2.644 -24.434 10.224 6 2HB MET 1 1HB MET 1 1.280 -23.542 10.881 7 1HG MET 1 2HG MET 1 3.332 -25.042 12.491 8 2HG MET 1 1HG MET 1 3.290 -23.297 12.247 9 1HE MET 1 1HE MET 1 0.002 -22.283 14.099 10 2HE MET 1 2HE MET 1 0.061 -22.790 12.412 11 3HE MET 1 3HE MET 1 1.334 -21.759 13.068 12 H SER 2 H SER 2 1.426 -24.955 8.606 13 HA SER 2 HA SER 2 0.234 -24.855 6.693 14 1HB SER 2 2HB SER 2 -1.655 -26.769 8.074 15 2HB SER 2 1HB SER 2 -1.597 -26.437 6.343 16 HG SER 2 HG SER 2 0.599 -27.222 6.399 17 H ARG 3 H ARG 3 -0.183 -22.798 8.570 18 HA ARG 3 HA ARG 3 -3.000 -22.162 8.394 19 1HB ARG 3 2HB ARG 3 -1.809 -21.227 10.283 20 2HB ARG 3 1HB ARG 3 -0.613 -20.494 9.225 21 1HG ARG 3 2HG ARG 3 -2.202 -18.918 8.393 22 2HG ARG 3 1HG ARG 3 -3.531 -19.748 9.204 23 1HD ARG 3 2HD ARG 3 -1.211 -18.487 10.656 24 2HD ARG 3 1HD ARG 3 -2.730 -17.652 10.332 25 HE ARG 3 HE ARG 3 -3.248 -20.114 11.599 26 1HH1 ARG 3 1HH1 ARG 3 -1.933 -16.930 12.315 27 2HH1 ARG 3 2HH1 ARG 3 -2.431 -16.982 13.977 28 1HH2 ARG 3 1HH2 ARG 3 -3.887 -20.159 13.780 29 2HH2 ARG 3 2HH2 ARG 3 -3.519 -18.816 14.815 30 H THR 4 H THR 4 -3.563 -22.187 6.298 31 HA THR 4 HA THR 4 -1.950 -20.595 4.428 32 HB THR 4 HB THR 4 -2.863 -22.171 2.667 33 HG1 THR 4 1HG THR 4 -4.551 -23.138 3.785 34 1HG2 THR 4 1HG2 THR 4 -1.129 -23.391 4.822 35 2HG2 THR 4 2HG2 THR 4 -0.562 -22.330 3.533 36 3HG2 THR 4 3HG2 THR 4 -1.224 -23.918 3.142 37 H ILE 5 H ILE 5 -2.966 -19.446 2.838 38 HA ILE 5 HA ILE 5 -5.885 -19.199 2.995 39 HB ILE 5 HB ILE 5 -5.611 -16.744 2.535 40 1HG1 ILE 5 2HG1 ILE 5 -3.310 -15.883 3.492 41 2HG1 ILE 5 1HG1 ILE 5 -2.731 -17.458 2.969 42 1HG2 ILE 5 1HG2 ILE 5 -6.209 -17.518 4.748 43 2HG2 ILE 5 2HG2 ILE 5 -5.112 -16.143 4.873 44 3HG2 ILE 5 3HG2 ILE 5 -4.511 -17.777 5.143 45 1HD1 ILE 5 1HD1 ILE 5 -4.019 -15.369 1.225 46 2HD1 ILE 5 2HD1 ILE 5 -3.463 -16.954 0.690 47 3HD1 ILE 5 3HD1 ILE 5 -2.302 -15.770 1.289 48 H PHE 6 H PHE 6 -6.884 -18.601 0.988 49 HA PHE 6 HA PHE 6 -5.413 -19.545 -1.294 50 1HB PHE 6 2HB PHE 6 -7.868 -19.992 -0.959 51 2HB PHE 6 1HB PHE 6 -8.163 -18.285 -1.268 52 HD1 PHE 6 1HD PHE 6 -7.005 -21.444 -2.746 53 HD2 PHE 6 2HD PHE 6 -8.112 -17.403 -3.485 54 HE1 PHE 6 1HE PHE 6 -7.071 -21.909 -5.161 55 HE2 PHE 6 2HE PHE 6 -8.182 -17.860 -5.900 56 HZ PHE 6 HZ PHE 6 -7.661 -20.115 -6.741 57 H CYS 7 H CYS 7 -3.959 -18.295 -2.180 58 HA CYS 7 HA CYS 7 -3.922 -15.474 -1.824 59 1HB CYS 7 2HB CYS 7 -2.310 -17.145 -3.749 60 2HB CYS 7 1HB CYS 7 -1.914 -15.529 -3.172 61 HG CYS 7 HG CYS 7 -2.316 -17.628 -0.645 62 H THR 8 H THR 8 -4.809 -13.923 -3.024 63 HA THR 8 HA THR 8 -6.510 -14.513 -5.210 64 HB THR 8 HB THR 8 -6.456 -11.953 -5.483 65 HG1 THR 8 1HG THR 8 -5.115 -10.877 -4.223 66 1HG2 THR 8 1HG2 THR 8 -7.237 -13.150 -2.820 67 2HG2 THR 8 2HG2 THR 8 -8.228 -13.142 -4.278 68 3HG2 THR 8 3HG2 THR 8 -7.830 -11.623 -3.476 69 H TYR 9 H TYR 9 -3.268 -13.135 -4.991 70 HA TYR 9 HA TYR 9 -3.111 -12.709 -7.832 71 1HB TYR 9 2HB TYR 9 -2.014 -11.152 -6.299 72 2HB TYR 9 1HB TYR 9 -0.990 -12.449 -5.691 73 HD1 TYR 9 1HD TYR 9 1.112 -12.740 -6.620 74 HD2 TYR 9 2HD TYR 9 -1.877 -10.732 -8.885 75 HE1 TYR 9 1HE TYR 9 2.762 -12.282 -8.384 76 HE2 TYR 9 2HE TYR 9 -0.232 -10.261 -10.652 77 HH TYR 9 HH TYR 9 2.114 -10.123 -11.001 78 H LEU 10 H LEU 10 -2.064 -15.194 -5.595 79 HA LEU 10 HA LEU 10 -0.344 -16.365 -7.647 80 1HB LEU 10 2HB LEU 10 -0.721 -17.111 -4.754 81 2HB LEU 10 1HB LEU 10 0.385 -17.909 -5.851 82 HG LEU 10 HG LEU 10 0.542 -15.025 -4.957 83 1HD1 LEU 10 1HD1 LEU 10 2.253 -17.419 -4.306 84 2HD1 LEU 10 2HD1 LEU 10 1.174 -16.569 -3.200 85 3HD1 LEU 10 3HD1 LEU 10 2.603 -15.755 -3.838 86 1HD2 LEU 10 1HD2 LEU 10 2.661 -14.961 -6.154 87 2HD2 LEU 10 2HD2 LEU 10 1.329 -15.308 -7.256 88 3HD2 LEU 10 3HD2 LEU 10 2.400 -16.606 -6.729 89 H GLN 11 H GLN 11 -3.427 -16.820 -6.183 90 HA GLN 11 HA GLN 11 -5.128 -18.248 -6.601 91 1HB GLN 11 2HB GLN 11 -3.425 -18.857 -9.009 92 2HB GLN 11 1HB GLN 11 -4.981 -19.629 -8.739 93 1HG GLN 11 2HG GLN 11 -4.513 -16.667 -9.013 94 2HG GLN 11 1HG GLN 11 -5.170 -17.732 -10.254 95 1HE2 GLN 11 1HE2 GLN 11 -5.805 -16.021 -7.323 96 2HE2 GLN 11 2HE2 GLN 11 -7.508 -16.313 -7.270 97 H ARG 12 H ARG 12 -2.577 -19.145 -5.144 98 HA ARG 12 HA ARG 12 -3.302 -22.000 -5.089 99 1HB ARG 12 2HB ARG 12 -0.549 -20.831 -4.633 100 2HB ARG 12 1HB ARG 12 -0.977 -22.526 -4.469 101 1HG ARG 12 2HG ARG 12 -1.514 -22.615 -6.858 102 2HG ARG 12 1HG ARG 12 -1.050 -20.918 -7.014 103 1HD ARG 12 2HD ARG 12 1.212 -21.494 -6.222 104 2HD ARG 12 1HD ARG 12 0.736 -23.190 -6.153 105 HE ARG 12 HE ARG 12 0.180 -22.529 -8.706 106 1HH1 ARG 12 1HH1 ARG 12 3.037 -22.144 -6.721 107 2HH1 ARG 12 2HH1 ARG 12 4.133 -22.214 -8.060 108 1HH2 ARG 12 1HH2 ARG 12 1.624 -22.623 -10.473 109 2HH2 ARG 12 2HH2 ARG 12 3.332 -22.456 -10.201 110 H ASP 13 H ASP 13 -2.507 -23.001 -2.972 111 HA ASP 13 HA ASP 13 -3.409 -21.325 -0.764 112 1HB ASP 13 2HB ASP 13 -2.710 -24.270 -0.837 113 2HB ASP 13 1HB ASP 13 -3.357 -23.414 0.555 114 H ALA 14 H ALA 14 -1.913 -20.122 0.185 115 HA ALA 14 HA ALA 14 0.701 -21.350 0.731 116 1HB ALA 14 1HB ALA 14 1.811 -19.226 0.265 117 2HB ALA 14 2HB ALA 14 0.266 -18.520 -0.207 118 3HB ALA 14 3HB ALA 14 0.960 -19.829 -1.161 119 H GLU 15 H GLU 15 1.883 -20.196 2.472 120 HA GLU 15 HA GLU 15 0.251 -20.069 4.760 121 1HB GLU 15 2HB GLU 15 2.620 -20.755 4.793 122 2HB GLU 15 1HB GLU 15 3.093 -19.107 4.410 123 1HG GLU 15 2HG GLU 15 2.194 -18.323 6.512 124 2HG GLU 15 1HG GLU 15 1.602 -19.942 6.884 125 H GLY 16 H GLY 16 -0.896 -18.488 5.562 126 1HA GLY 16 2HA GLY 16 -1.177 -16.013 4.230 127 2HA GLY 16 1HA GLY 16 -1.895 -16.437 5.775 128 H GLN 17 H GLN 17 -0.699 -13.933 4.861 129 HA GLN 17 HA GLN 17 1.807 -13.593 6.181 130 1HB GLN 17 2HB GLN 17 0.448 -12.189 4.304 131 2HB GLN 17 1HB GLN 17 0.063 -11.238 5.729 132 1HG GLN 17 2HG GLN 17 2.862 -11.940 4.877 133 2HG GLN 17 1HG GLN 17 2.034 -10.449 4.441 134 1HE2 GLN 17 1HE2 GLN 17 0.708 -10.239 7.029 135 2HE2 GLN 17 2HE2 GLN 17 1.922 -9.684 8.129 136 H ASP 18 H ASP 18 1.796 -14.054 8.309 137 HA ASP 18 HA ASP 18 -0.558 -13.473 9.908 138 1HB ASP 18 2HB ASP 18 0.652 -15.696 9.881 139 2HB ASP 18 1HB ASP 18 1.964 -14.905 10.739 140 H PHE 19 H PHE 19 1.941 -11.650 9.076 141 HA PHE 19 HA PHE 19 2.588 -10.641 11.743 142 1HB PHE 19 2HB PHE 19 3.779 -10.011 9.041 143 2HB PHE 19 1HB PHE 19 4.316 -9.298 10.558 144 HD1 PHE 19 1HD PHE 19 5.524 -10.628 12.196 145 HD2 PHE 19 2HD PHE 19 4.328 -12.270 8.458 146 HE1 PHE 19 1HE PHE 19 7.076 -12.505 12.530 147 HE2 PHE 19 2HE PHE 19 5.876 -14.154 8.786 148 HZ PHE 19 HZ PHE 19 7.253 -14.274 10.821 149 H GLN 20 H GLN 20 0.782 -9.460 12.317 150 HA GLN 20 HA GLN 20 0.049 -7.204 10.601 151 1HB GLN 20 2HB GLN 20 -1.789 -8.507 11.581 152 2HB GLN 20 1HB GLN 20 -1.174 -8.171 13.193 153 1HG GLN 20 2HG GLN 20 -1.601 -5.805 12.894 154 2HG GLN 20 1HG GLN 20 -2.154 -6.105 11.245 155 1HE2 GLN 20 1HE2 GLN 20 -4.147 -7.044 10.909 156 2HE2 GLN 20 2HE2 GLN 20 -5.338 -7.178 12.152 157 H LEU 21 H LEU 21 1.130 -5.379 10.849 158 HA LEU 21 HA LEU 21 2.037 -4.601 13.506 159 1HB LEU 21 2HB LEU 21 4.315 -4.263 12.865 160 2HB LEU 21 1HB LEU 21 3.867 -5.912 12.515 161 HG LEU 21 HG LEU 21 5.231 -5.312 10.740 162 1HD1 LEU 21 1HD1 LEU 21 3.226 -6.352 9.896 163 2HD1 LEU 21 2HD1 LEU 21 3.868 -5.190 8.736 164 3HD1 LEU 21 3HD1 LEU 21 2.459 -4.774 9.714 165 1HD2 LEU 21 1HD2 LEU 21 3.817 -2.664 10.594 166 2HD2 LEU 21 2HD2 LEU 21 5.051 -3.216 9.461 167 3HD2 LEU 21 3HD2 LEU 21 5.459 -2.966 11.158 168 H TYR 22 H TYR 22 0.393 -3.732 10.877 169 HA TYR 22 HA TYR 22 0.830 -0.916 11.369 170 1HB TYR 22 2HB TYR 22 2.393 -1.787 9.461 171 2HB TYR 22 1HB TYR 22 0.927 -1.767 8.494 172 HD1 TYR 22 1HD TYR 22 3.339 0.297 10.329 173 HD2 TYR 22 2HD TYR 22 -0.063 0.310 7.777 174 HE1 TYR 22 1HE TYR 22 3.700 2.686 9.876 175 HE2 TYR 22 2HE TYR 22 0.284 2.702 7.317 176 HH TYR 22 HH TYR 22 3.171 4.348 8.258 177 HA PRO 23 HA PRO 23 -3.254 -1.364 9.113 178 1HB PRO 23 2HB PRO 23 -3.673 -3.541 7.459 179 2HB PRO 23 1HB PRO 23 -2.930 -2.020 6.965 180 1HG PRO 23 2HG PRO 23 -1.696 -4.585 7.122 181 2HG PRO 23 1HG PRO 23 -0.927 -3.039 6.727 182 1HD PRO 23 2HD PRO 23 -1.036 -4.495 9.319 183 2HD PRO 23 1HD PRO 23 0.220 -3.413 8.682 184 H GLY 24 H GLY 24 -5.307 -2.004 9.732 185 1HA GLY 24 2HA GLY 24 -5.343 -4.157 11.718 186 2HA GLY 24 1HA GLY 24 -6.531 -2.873 11.557 187 H GLU 25 H GLU 25 -8.355 -3.235 10.442 188 HA GLU 25 HA GLU 25 -9.085 -5.891 9.814 189 1HB GLU 25 2HB GLU 25 -10.685 -4.134 10.542 190 2HB GLU 25 1HB GLU 25 -10.460 -3.325 8.996 191 1HG GLU 25 2HG GLU 25 -12.512 -4.604 9.008 192 2HG GLU 25 1HG GLU 25 -11.368 -5.266 7.844 193 H LEU 26 H LEU 26 -8.196 -3.109 7.827 194 HA LEU 26 HA LEU 26 -8.456 -4.381 5.323 195 1HB LEU 26 2HB LEU 26 -8.229 -1.942 5.621 196 2HB LEU 26 1HB LEU 26 -6.574 -2.166 6.151 197 HG LEU 26 HG LEU 26 -6.008 -3.071 3.913 198 1HD1 LEU 26 1HD1 LEU 26 -8.221 -3.907 3.296 199 2HD1 LEU 26 2HD1 LEU 26 -7.599 -2.793 2.080 200 3HD1 LEU 26 3HD1 LEU 26 -8.828 -2.253 3.222 201 1HD2 LEU 26 1HD2 LEU 26 -5.648 -0.711 4.414 202 2HD2 LEU 26 2HD2 LEU 26 -7.296 -0.346 3.903 203 3HD2 LEU 26 3HD2 LEU 26 -6.120 -0.935 2.730 204 H GLY 27 H GLY 27 -5.942 -4.302 7.738 205 1HA GLY 27 2HA GLY 27 -3.840 -5.426 6.249 206 2HA GLY 27 1HA GLY 27 -4.003 -5.492 7.998 207 H LYS 28 H LYS 28 -6.034 -7.016 8.559 208 HA LYS 28 HA LYS 28 -5.112 -9.610 8.010 209 1HB LYS 28 2HB LYS 28 -7.266 -10.352 9.081 210 2HB LYS 28 1HB LYS 28 -6.283 -9.257 10.044 211 1HG LYS 28 2HG LYS 28 -7.729 -7.391 9.308 212 2HG LYS 28 1HG LYS 28 -8.750 -8.560 8.472 213 1HD LYS 28 2HD LYS 28 -8.146 -8.693 11.419 214 2HD LYS 28 1HD LYS 28 -9.549 -7.857 10.753 215 1HE LYS 28 2HE LYS 28 -8.912 -10.787 10.402 216 2HE LYS 28 1HE LYS 28 -10.102 -10.118 11.517 217 1HZ LYS 28 1HZ LYS 28 -10.178 -10.135 8.563 218 2HZ LYS 28 2HZ LYS 28 -11.158 -9.098 9.470 219 3HZ LYS 28 3HZ LYS 28 -11.308 -10.778 9.644 220 H ARG 29 H ARG 29 -7.429 -7.604 6.345 221 HA ARG 29 HA ARG 29 -8.662 -9.619 4.790 222 1HB ARG 29 2HB ARG 29 -9.337 -7.149 4.986 223 2HB ARG 29 1HB ARG 29 -8.068 -6.828 3.811 224 1HG ARG 29 2HG ARG 29 -9.292 -8.671 2.421 225 2HG ARG 29 1HG ARG 29 -10.656 -8.262 3.463 226 1HD ARG 29 2HD ARG 29 -11.064 -6.717 1.875 227 2HD ARG 29 1HD ARG 29 -9.840 -5.793 2.745 228 HE ARG 29 HE ARG 29 -8.605 -7.454 0.801 229 1HH1 ARG 29 1HH1 ARG 29 -10.489 -4.501 1.084 230 2HH1 ARG 29 2HH1 ARG 29 -9.946 -3.861 -0.431 231 1HH2 ARG 29 1HH2 ARG 29 -7.901 -6.623 -1.177 232 2HH2 ARG 29 2HH2 ARG 29 -8.477 -5.080 -1.734 233 H ILE 30 H ILE 30 -5.945 -7.436 4.080 234 HA ILE 30 HA ILE 30 -5.287 -8.595 1.597 235 HB ILE 30 HB ILE 30 -3.479 -7.051 3.466 236 1HG1 ILE 30 2HG1 ILE 30 -5.151 -6.056 1.146 237 2HG1 ILE 30 1HG1 ILE 30 -5.585 -5.867 2.842 238 1HG2 ILE 30 1HG2 ILE 30 -2.235 -6.504 1.401 239 2HG2 ILE 30 2HG2 ILE 30 -3.265 -7.624 0.513 240 3HG2 ILE 30 3HG2 ILE 30 -2.203 -8.224 1.785 241 1HD1 ILE 30 1HD1 ILE 30 -4.613 -3.834 1.920 242 2HD1 ILE 30 2HD1 ILE 30 -3.138 -4.716 1.520 243 3HD1 ILE 30 3HD1 ILE 30 -3.607 -4.501 3.207 244 H TYR 31 H TYR 31 -4.174 -9.231 4.888 245 HA TYR 31 HA TYR 31 -2.115 -11.051 4.237 246 1HB TYR 31 2HB TYR 31 -3.851 -10.895 6.707 247 2HB TYR 31 1HB TYR 31 -2.376 -11.843 6.572 248 HD1 TYR 31 1HD TYR 31 -1.227 -9.341 4.775 249 HD2 TYR 31 2HD TYR 31 -2.741 -9.892 8.711 250 HE1 TYR 31 1HE TYR 31 0.087 -7.416 5.541 251 HE2 TYR 31 2HE TYR 31 -1.431 -7.968 9.487 252 HH TYR 31 HH TYR 31 0.815 -6.835 8.639 253 H ASN 32 H ASN 32 -5.544 -11.350 4.386 254 HA ASN 32 HA ASN 32 -5.553 -14.234 4.419 255 1HB ASN 32 2HB ASN 32 -7.400 -13.389 5.532 256 2HB ASN 32 1HB ASN 32 -7.619 -12.072 4.388 257 1HD2 ASN 32 1HD2 ASN 32 -8.851 -12.366 2.601 258 2HD2 ASN 32 2HD2 ASN 32 -9.819 -13.771 2.330 259 H GLU 33 H GLU 33 -5.446 -11.728 2.079 260 HA GLU 33 HA GLU 33 -6.279 -13.551 -0.063 261 1HB GLU 33 2HB GLU 33 -5.753 -10.573 -0.184 262 2HB GLU 33 1HB GLU 33 -6.453 -11.562 -1.460 263 1HG GLU 33 2HG GLU 33 -8.389 -12.031 -0.057 264 2HG GLU 33 1HG GLU 33 -7.688 -11.074 1.243 265 H ILE 34 H ILE 34 -3.535 -11.994 1.298 266 HA ILE 34 HA ILE 34 -1.864 -12.901 -0.946 267 HB ILE 34 HB ILE 34 -1.738 -10.338 0.624 268 1HG1 ILE 34 2HG1 ILE 34 -3.091 -10.361 -1.419 269 2HG1 ILE 34 1HG1 ILE 34 -1.675 -9.334 -1.609 270 1HG2 ILE 34 1HG2 ILE 34 0.461 -11.441 -1.114 271 2HG2 ILE 34 2HG2 ILE 34 0.515 -11.298 0.641 272 3HG2 ILE 34 3HG2 ILE 34 0.426 -9.849 -0.360 273 1HD1 ILE 34 1HD1 ILE 34 -0.548 -11.178 -2.807 274 2HD1 ILE 34 2HD1 ILE 34 -2.006 -10.600 -3.616 275 3HD1 ILE 34 3HD1 ILE 34 -2.042 -12.109 -2.705 276 H SER 35 H SER 35 -0.269 -14.209 -0.445 277 HA SER 35 HA SER 35 0.178 -14.990 2.287 278 1HB SER 35 2HB SER 35 1.848 -16.556 1.128 279 2HB SER 35 1HB SER 35 0.138 -16.769 0.742 280 HG SER 35 HG SER 35 0.719 -16.491 -1.244 281 H LYS 36 H LYS 36 2.512 -15.364 2.961 282 HA LYS 36 HA LYS 36 3.864 -12.926 3.188 283 1HB LYS 36 2HB LYS 36 4.988 -15.714 3.528 284 2HB LYS 36 1HB LYS 36 5.711 -14.233 4.138 285 1HG LYS 36 2HG LYS 36 3.789 -13.881 5.597 286 2HG LYS 36 1HG LYS 36 3.043 -15.357 4.975 287 1HD LYS 36 2HD LYS 36 4.994 -16.638 5.785 288 2HD LYS 36 1HD LYS 36 5.649 -15.153 6.474 289 1HE LYS 36 2HE LYS 36 3.768 -14.962 7.971 290 2HE LYS 36 1HE LYS 36 2.982 -16.349 7.216 291 1HZ LYS 36 1HZ LYS 36 5.528 -16.401 8.748 292 2HZ LYS 36 2HZ LYS 36 4.838 -17.737 7.963 293 3HZ LYS 36 3HZ LYS 36 4.036 -17.007 9.264 294 H ASP 37 H ASP 37 4.099 -15.467 0.812 295 HA ASP 37 HA ASP 37 6.608 -14.820 -0.288 296 1HB ASP 37 2HB ASP 37 4.196 -16.088 -1.604 297 2HB ASP 37 1HB ASP 37 5.814 -16.052 -2.295 298 H ALA 38 H ALA 38 3.347 -14.040 -1.478 299 HA ALA 38 HA ALA 38 4.246 -12.282 -3.500 300 1HB ALA 38 1HB ALA 38 2.094 -13.320 -3.700 301 2HB ALA 38 2HB ALA 38 1.863 -11.573 -3.618 302 3HB ALA 38 3HB ALA 38 1.544 -12.573 -2.201 303 H TRP 39 H TRP 39 3.326 -11.833 -0.156 304 HA TRP 39 HA TRP 39 3.102 -9.052 -0.048 305 1HB TRP 39 2HB TRP 39 2.487 -10.636 1.768 306 2HB TRP 39 1HB TRP 39 4.193 -10.926 2.066 307 HD1 TRP 39 HD TRP 39 5.334 -9.393 3.784 308 HE1 TRP 39 1HE TRP 39 4.660 -7.265 5.060 309 HE3 TRP 39 3HE TRP 39 0.951 -8.336 1.363 310 HZ2 TRP 39 2HZ TRP 39 2.560 -5.392 5.053 311 HZ3 TRP 39 3HZ TRP 39 -0.326 -6.352 2.062 312 HH2 TRP 39 HH TRP 39 0.462 -4.911 3.867 313 H ALA 40 H ALA 40 5.943 -11.100 0.594 314 HA ALA 40 HA ALA 40 7.750 -8.945 0.937 315 1HB ALA 40 1HB ALA 40 9.497 -10.646 0.789 316 2HB ALA 40 2HB ALA 40 8.315 -11.814 0.197 317 3HB ALA 40 3HB ALA 40 8.180 -11.172 1.835 318 H GLN 41 H GLN 41 6.939 -11.009 -1.810 319 HA GLN 41 HA GLN 41 8.840 -10.148 -3.644 320 1HB GLN 41 2HB GLN 41 7.391 -12.059 -4.055 321 2HB GLN 41 1HB GLN 41 5.981 -11.013 -4.112 322 1HG GLN 41 2HG GLN 41 6.963 -9.898 -6.103 323 2HG GLN 41 1HG GLN 41 8.254 -11.100 -6.078 324 1HE2 GLN 41 1HE2 GLN 41 7.695 -11.929 -8.077 325 2HE2 GLN 41 2HE2 GLN 41 6.275 -12.884 -8.319 326 H TRP 42 H TRP 42 5.557 -8.861 -3.107 327 HA TRP 42 HA TRP 42 5.771 -6.871 -5.101 328 1HB TRP 42 2HB TRP 42 3.595 -7.624 -4.355 329 2HB TRP 42 1HB TRP 42 3.924 -7.068 -2.716 330 HD1 TRP 42 HD TRP 42 2.531 -4.975 -2.258 331 HE1 TRP 42 1HE TRP 42 1.904 -2.850 -3.555 332 HE3 TRP 42 3HE TRP 42 4.776 -6.044 -6.735 333 HZ2 TRP 42 2HZ TRP 42 2.297 -1.765 -6.125 334 HZ3 TRP 42 3HZ TRP 42 4.601 -4.404 -8.559 335 HH2 TRP 42 HH TRP 42 3.386 -2.307 -8.261 336 H GLN 43 H GLN 43 6.187 -6.756 -1.569 337 HA GLN 43 HA GLN 43 6.548 -3.975 -1.423 338 1HB GLN 43 2HB GLN 43 7.452 -6.191 0.401 339 2HB GLN 43 1HB GLN 43 7.712 -4.491 0.767 340 1HG GLN 43 2HG GLN 43 5.237 -4.169 0.550 341 2HG GLN 43 1HG GLN 43 5.093 -5.922 0.455 342 1HE2 GLN 43 1HE2 GLN 43 7.281 -6.379 2.309 343 2HE2 GLN 43 2HE2 GLN 43 6.669 -6.008 3.877 344 H HIS 44 H HIS 44 8.908 -6.588 -1.873 345 HA HIS 44 HA HIS 44 11.188 -4.925 -1.549 346 1HB HIS 44 2HB HIS 44 11.102 -7.475 -1.453 347 2HB HIS 44 1HB HIS 44 11.105 -7.439 -3.214 348 HD1 HIS 44 1HD HIS 44 13.388 -8.110 -3.919 349 HD2 HIS 44 2HD HIS 44 13.472 -5.483 -0.699 350 HE1 HIS 44 1HE HIS 44 15.821 -7.647 -3.483 351 HE2 HIS 44 2HE HIS 44 15.844 -6.224 -1.406 352 H LYS 45 H LYS 45 9.300 -5.914 -4.369 353 HA LYS 45 HA LYS 45 11.002 -4.598 -6.255 354 1HB LYS 45 2HB LYS 45 9.330 -6.523 -6.671 355 2HB LYS 45 1HB LYS 45 8.101 -5.269 -6.717 356 1HG LYS 45 2HG LYS 45 10.529 -5.195 -8.481 357 2HG LYS 45 1HG LYS 45 9.057 -6.051 -8.936 358 1HD LYS 45 2HD LYS 45 9.075 -3.147 -8.149 359 2HD LYS 45 1HD LYS 45 9.334 -3.678 -9.808 360 1HE LYS 45 2HE LYS 45 6.921 -4.495 -8.206 361 2HE LYS 45 1HE LYS 45 6.962 -3.017 -9.162 362 1HZ LYS 45 1HZ LYS 45 7.315 -5.779 -10.182 363 2HZ LYS 45 2HZ LYS 45 7.472 -4.385 -11.118 364 3HZ LYS 45 3HZ LYS 45 5.976 -4.776 -10.436 365 H GLN 46 H GLN 46 8.043 -3.751 -4.527 366 HA GLN 46 HA GLN 46 7.557 -1.325 -5.871 367 1HB GLN 46 2HB GLN 46 5.880 -2.503 -4.468 368 2HB GLN 46 1HB GLN 46 6.805 -2.067 -3.038 369 1HG GLN 46 2HG GLN 46 4.887 -0.601 -3.355 370 2HG GLN 46 1HG GLN 46 6.409 0.285 -3.463 371 1HE2 GLN 46 1HE2 GLN 46 5.422 1.942 -4.613 372 2HE2 GLN 46 2HE2 GLN 46 4.944 1.778 -6.267 373 H THR 47 H THR 47 9.445 -2.098 -2.971 374 HA THR 47 HA THR 47 10.126 0.538 -2.278 375 HB THR 47 HB THR 47 11.845 -1.926 -1.904 376 HG1 THR 47 1HG THR 47 9.795 -2.263 -0.993 377 1HG2 THR 47 1HG2 THR 47 12.742 -0.701 0.020 378 2HG2 THR 47 2HG2 THR 47 11.729 0.683 -0.387 379 3HG2 THR 47 3HG2 THR 47 13.017 0.183 -1.482 380 H MET 48 H MET 48 11.574 -1.766 -4.529 381 HA MET 48 HA MET 48 13.778 -0.276 -5.377 382 1HB MET 48 2HB MET 48 13.387 -2.602 -6.064 383 2HB MET 48 1HB MET 48 11.980 -2.105 -6.990 384 1HG MET 48 2HG MET 48 13.531 -0.671 -8.359 385 2HG MET 48 1HG MET 48 14.861 -1.489 -7.548 386 1HE MET 48 1HE MET 48 14.127 -5.242 -8.609 387 2HE MET 48 2HE MET 48 13.445 -4.419 -7.208 388 3HE MET 48 3HE MET 48 15.147 -4.202 -7.616 389 H LEU 49 H LEU 49 10.440 -0.323 -6.594 390 HA LEU 49 HA LEU 49 10.762 1.642 -8.575 391 1HB LEU 49 2HB LEU 49 8.292 0.890 -7.014 392 2HB LEU 49 1HB LEU 49 8.301 1.901 -8.445 393 HG LEU 49 HG LEU 49 9.045 -1.015 -8.299 394 1HD1 LEU 49 1HD1 LEU 49 7.092 -1.218 -9.842 395 2HD1 LEU 49 2HD1 LEU 49 6.713 0.467 -9.490 396 3HD1 LEU 49 3HD1 LEU 49 6.687 -0.732 -8.198 397 1HD2 LEU 49 1HD2 LEU 49 9.054 0.852 -10.670 398 2HD2 LEU 49 2HD2 LEU 49 9.303 -0.893 -10.727 399 3HD2 LEU 49 3HD2 LEU 49 10.472 0.137 -9.904 400 H ILE 50 H ILE 50 9.833 1.885 -5.169 401 HA ILE 50 HA ILE 50 9.157 4.591 -5.125 402 HB ILE 50 HB ILE 50 10.417 2.925 -2.938 403 1HG1 ILE 50 2HG1 ILE 50 7.531 3.689 -3.431 404 2HG1 ILE 50 1HG1 ILE 50 8.231 2.121 -3.812 405 1HG2 ILE 50 1HG2 ILE 50 10.735 5.293 -2.480 406 2HG2 ILE 50 2HG2 ILE 50 9.522 4.617 -1.392 407 3HG2 ILE 50 3HG2 ILE 50 9.022 5.594 -2.772 408 1HD1 ILE 50 1HD1 ILE 50 6.965 2.077 -1.734 409 2HD1 ILE 50 2HD1 ILE 50 8.015 3.326 -1.064 410 3HD1 ILE 50 3HD1 ILE 50 8.672 1.738 -1.452 411 H ASN 51 H ASN 51 12.299 3.008 -4.897 412 HA ASN 51 HA ASN 51 13.814 5.327 -4.307 413 1HB ASN 51 2HB ASN 51 14.656 2.784 -5.719 414 2HB ASN 51 1HB ASN 51 15.760 4.013 -5.119 415 1HD2 ASN 51 1HD2 ASN 51 15.643 1.233 -4.430 416 2HD2 ASN 51 2HD2 ASN 51 15.349 1.145 -2.727 417 H GLU 52 H GLU 52 12.847 3.781 -7.326 418 HA GLU 52 HA GLU 52 14.463 5.551 -8.924 419 1HB GLU 52 2HB GLU 52 12.435 3.470 -9.751 420 2HB GLU 52 1HB GLU 52 13.584 4.268 -10.814 421 1HG GLU 52 2HG GLU 52 15.418 3.317 -9.403 422 2HG GLU 52 1HG GLU 52 14.190 2.376 -8.561 423 H LYS 53 H LYS 53 11.049 5.200 -8.130 424 HA LYS 53 HA LYS 53 10.191 7.289 -9.907 425 1HB LYS 53 2HB LYS 53 8.821 5.995 -7.538 426 2HB LYS 53 1HB LYS 53 8.058 7.168 -8.600 427 1HG LYS 53 2HG LYS 53 8.394 5.605 -10.495 428 2HG LYS 53 1HG LYS 53 9.036 4.422 -9.353 429 1HD LYS 53 2HD LYS 53 6.916 4.455 -8.125 430 2HD LYS 53 1HD LYS 53 6.269 5.633 -9.266 431 1HE LYS 53 2HE LYS 53 6.606 3.978 -11.081 432 2HE LYS 53 1HE LYS 53 7.121 2.805 -9.872 433 1HZ LYS 53 1HZ LYS 53 4.925 3.023 -8.816 434 2HZ LYS 53 2HZ LYS 53 4.814 2.478 -10.411 435 3HZ LYS 53 3HZ LYS 53 4.449 4.085 -10.050 436 H LYS 54 H LYS 54 11.635 7.124 -6.822 437 HA LYS 54 HA LYS 54 12.206 8.649 -5.240 438 1HB LYS 54 2HB LYS 54 11.692 10.600 -7.495 439 2HB LYS 54 1HB LYS 54 12.543 10.982 -6.003 440 1HG LYS 54 2HG LYS 54 14.326 9.490 -6.551 441 2HG LYS 54 1HG LYS 54 13.438 8.853 -7.936 442 1HD LYS 54 2HD LYS 54 15.121 10.390 -8.718 443 2HD LYS 54 1HD LYS 54 13.531 11.108 -8.970 444 1HE LYS 54 2HE LYS 54 13.825 12.431 -6.921 445 2HE LYS 54 1HE LYS 54 15.427 11.727 -6.705 446 1HZ LYS 54 1HZ LYS 54 16.100 12.707 -8.805 447 2HZ LYS 54 2HZ LYS 54 15.544 13.903 -7.748 448 3HZ LYS 54 3HZ LYS 54 14.563 13.373 -9.018 449 H LEU 55 H LEU 55 9.668 7.720 -5.071 450 HA LEU 55 HA LEU 55 7.597 9.598 -5.134 451 1HB LEU 55 2HB LEU 55 7.847 7.081 -3.498 452 2HB LEU 55 1HB LEU 55 6.372 8.006 -3.673 453 HG LEU 55 HG LEU 55 7.834 6.524 -5.852 454 1HD1 LEU 55 1HD1 LEU 55 5.115 6.115 -4.625 455 2HD1 LEU 55 2HD1 LEU 55 6.541 5.127 -4.311 456 3HD1 LEU 55 3HD1 LEU 55 5.829 5.159 -5.923 457 1HD2 LEU 55 1HD2 LEU 55 5.366 8.250 -5.992 458 2HD2 LEU 55 2HD2 LEU 55 5.936 7.192 -7.281 459 3HD2 LEU 55 3HD2 LEU 55 6.918 8.565 -6.769 460 H ASN 56 H ASN 56 7.130 11.237 -3.911 461 HA ASN 56 HA ASN 56 8.300 11.488 -1.247 462 1HB ASN 56 2HB ASN 56 8.502 13.433 -2.682 463 2HB ASN 56 1HB ASN 56 6.768 13.443 -2.976 464 1HD2 ASN 56 1HD2 ASN 56 6.607 15.543 -2.229 465 2HD2 ASN 56 2HD2 ASN 56 6.712 15.936 -0.549 466 H MET 57 H MET 57 7.185 10.669 0.386 467 HA MET 57 HA MET 57 4.380 10.069 0.141 468 1HB MET 57 2HB MET 57 6.441 9.591 2.269 469 2HB MET 57 1HB MET 57 4.736 9.330 2.600 470 1HG MET 57 2HG MET 57 5.776 7.249 2.003 471 2HG MET 57 1HG MET 57 4.636 7.726 0.748 472 1HE MET 57 1HE MET 57 5.663 5.975 -0.917 473 2HE MET 57 2HE MET 57 6.808 5.461 0.324 474 3HE MET 57 3HE MET 57 7.382 5.863 -1.295 475 H MET 58 H MET 58 5.984 12.838 0.901 476 HA MET 58 HA MET 58 4.137 13.756 2.949 477 1HB MET 58 2HB MET 58 6.283 15.270 1.444 478 2HB MET 58 1HB MET 58 5.393 15.866 2.839 479 1HG MET 58 2HG MET 58 6.349 14.061 4.199 480 2HG MET 58 1HG MET 58 7.270 13.513 2.802 481 1HE MET 58 1HE MET 58 9.683 16.569 2.224 482 2HE MET 58 2HE MET 58 8.077 16.394 1.520 483 3HE MET 58 3HE MET 58 9.152 14.999 1.621 484 H ASN 59 H ASN 59 3.877 13.219 -0.215 485 HA ASN 59 HA ASN 59 1.966 15.422 -0.615 486 1HB ASN 59 2HB ASN 59 3.746 15.865 -2.128 487 2HB ASN 59 1HB ASN 59 3.883 14.170 -2.580 488 1HD2 ASN 59 1HD2 ASN 59 2.052 17.110 -2.984 489 2HD2 ASN 59 2HD2 ASN 59 1.177 16.598 -4.385 490 H ALA 60 H ALA 60 -0.040 14.866 -1.309 491 HA ALA 60 HA ALA 60 -0.897 12.262 -0.681 492 1HB ALA 60 1HB ALA 60 -2.270 14.277 -0.392 493 2HB ALA 60 2HB ALA 60 -3.105 13.011 -1.293 494 3HB ALA 60 3HB ALA 60 -2.427 14.397 -2.145 495 H GLU 61 H GLU 61 -0.132 13.747 -3.779 496 HA GLU 61 HA GLU 61 -1.621 11.926 -5.356 497 1HB GLU 61 2HB GLU 61 0.752 13.591 -6.197 498 2HB GLU 61 1HB GLU 61 -0.407 12.821 -7.271 499 1HG GLU 61 2HG GLU 61 -0.813 15.163 -5.448 500 2HG GLU 61 1HG GLU 61 -1.056 15.060 -7.190 501 H HIS 62 H HIS 62 1.719 11.918 -4.218 502 HA HIS 62 HA HIS 62 2.327 9.526 -5.736 503 1HB HIS 62 2HB HIS 62 3.941 10.800 -3.513 504 2HB HIS 62 1HB HIS 62 4.504 9.578 -4.649 505 HD1 HIS 62 1HD HIS 62 4.554 10.421 -7.254 506 HD2 HIS 62 2HD HIS 62 4.342 13.347 -4.313 507 HE1 HIS 62 1HE HIS 62 5.189 12.569 -8.390 508 HE2 HIS 62 2HE HIS 62 4.881 14.346 -6.633 509 H ARG 63 H ARG 63 1.123 10.365 -2.623 510 HA ARG 63 HA ARG 63 1.605 7.879 -1.328 511 1HB ARG 63 2HB ARG 63 1.182 9.883 -0.031 512 2HB ARG 63 1HB ARG 63 -0.398 10.073 -0.774 513 1HG ARG 63 2HG ARG 63 -0.616 9.207 1.468 514 2HG ARG 63 1HG ARG 63 -1.145 8.003 0.295 515 1HD ARG 63 2HD ARG 63 1.109 6.946 0.478 516 2HD ARG 63 1HD ARG 63 1.476 8.073 1.781 517 HE ARG 63 HE ARG 63 -0.119 6.992 3.142 518 1HH1 ARG 63 1HH1 ARG 63 0.298 5.451 0.026 519 2HH1 ARG 63 2HH1 ARG 63 -0.476 3.967 0.510 520 1HH2 ARG 63 1HH2 ARG 63 -1.145 5.022 3.769 521 2HH2 ARG 63 2HH2 ARG 63 -1.277 3.728 2.618 522 H LYS 64 H LYS 64 -1.195 9.257 -3.037 523 HA LYS 64 HA LYS 64 -2.849 6.976 -2.704 524 1HB LYS 64 2HB LYS 64 -4.297 7.965 -4.382 525 2HB LYS 64 1HB LYS 64 -3.744 9.215 -3.278 526 1HG LYS 64 2HG LYS 64 -2.091 9.937 -4.921 527 2HG LYS 64 1HG LYS 64 -2.636 8.680 -6.028 528 1HD LYS 64 2HD LYS 64 -3.589 10.836 -6.629 529 2HD LYS 64 1HD LYS 64 -4.853 9.719 -6.107 530 1HE LYS 64 2HE LYS 64 -5.075 10.801 -4.019 531 2HE LYS 64 1HE LYS 64 -3.579 11.707 -4.245 532 1HZ LYS 64 1HZ LYS 64 -5.618 13.027 -4.603 533 2HZ LYS 64 2HZ LYS 64 -5.995 12.048 -5.929 534 3HZ LYS 64 3HZ LYS 64 -4.590 12.999 -5.950 535 H LEU 65 H LEU 65 -0.504 7.948 -5.135 536 HA LEU 65 HA LEU 65 -1.018 6.019 -7.083 537 1HB LEU 65 2HB LEU 65 0.500 7.883 -7.453 538 2HB LEU 65 1HB LEU 65 1.600 7.263 -6.237 539 HG LEU 65 HG LEU 65 2.040 5.290 -7.656 540 1HD1 LEU 65 1HD1 LEU 65 -0.057 5.184 -8.865 541 2HD1 LEU 65 2HD1 LEU 65 1.294 5.305 -9.993 542 3HD1 LEU 65 3HD1 LEU 65 0.298 6.721 -9.656 543 1HD2 LEU 65 1HD2 LEU 65 3.503 7.239 -7.778 544 2HD2 LEU 65 2HD2 LEU 65 2.478 7.938 -9.033 545 3HD2 LEU 65 3HD2 LEU 65 3.364 6.447 -9.346 546 H LEU 66 H LEU 66 0.946 5.888 -4.163 547 HA LEU 66 HA LEU 66 2.046 3.345 -4.468 548 1HB LEU 66 2HB LEU 66 2.670 5.014 -2.728 549 2HB LEU 66 1HB LEU 66 1.165 4.669 -1.899 550 HG LEU 66 HG LEU 66 1.930 2.303 -1.631 551 1HD1 LEU 66 1HD1 LEU 66 3.534 2.216 -3.454 552 2HD1 LEU 66 2HD1 LEU 66 4.318 1.831 -1.922 553 3HD1 LEU 66 3HD1 LEU 66 4.539 3.423 -2.650 554 1HD2 LEU 66 1HD2 LEU 66 2.122 3.889 0.193 555 2HD2 LEU 66 2HD2 LEU 66 3.663 4.466 -0.439 556 3HD2 LEU 66 3HD2 LEU 66 3.523 2.818 0.175 557 H GLU 67 H GLU 67 -0.967 4.327 -2.826 558 HA GLU 67 HA GLU 67 -1.884 1.765 -2.139 559 1HB GLU 67 2HB GLU 67 -3.515 4.199 -2.893 560 2HB GLU 67 1HB GLU 67 -4.126 2.788 -2.043 561 1HG GLU 67 2HG GLU 67 -1.985 4.627 -1.012 562 2HG GLU 67 1HG GLU 67 -3.689 4.709 -0.573 563 H GLN 68 H GLN 68 -2.358 3.705 -5.024 564 HA GLN 68 HA GLN 68 -4.262 2.206 -6.348 565 1HB GLN 68 2HB GLN 68 -2.037 3.984 -7.299 566 2HB GLN 68 1HB GLN 68 -3.125 3.208 -8.434 567 1HG GLN 68 2HG GLN 68 -4.997 4.370 -7.601 568 2HG GLN 68 1HG GLN 68 -4.122 4.898 -6.166 569 1HE2 GLN 68 1HE2 GLN 68 -2.641 4.957 -9.305 570 2HE2 GLN 68 2HE2 GLN 68 -2.633 6.672 -9.490 571 H GLU 69 H GLU 69 -0.708 2.012 -6.899 572 HA GLU 69 HA GLU 69 -1.106 -0.252 -8.602 573 1HB GLU 69 2HB GLU 69 1.378 -0.351 -8.707 574 2HB GLU 69 1HB GLU 69 0.690 1.192 -9.173 575 1HG GLU 69 2HG GLU 69 1.272 2.088 -6.945 576 2HG GLU 69 1HG GLU 69 2.043 0.548 -6.561 577 H MET 70 H MET 70 -0.409 0.169 -5.227 578 HA MET 70 HA MET 70 0.617 -2.359 -4.611 579 1HB MET 70 2HB MET 70 0.553 -0.485 -3.014 580 2HB MET 70 1HB MET 70 -1.199 -0.611 -2.939 581 1HG MET 70 2HG MET 70 -0.890 -2.954 -2.097 582 2HG MET 70 1HG MET 70 0.832 -2.600 -1.966 583 1HE MET 70 1HE MET 70 0.728 0.403 0.631 584 2HE MET 70 2HE MET 70 0.507 0.595 -1.108 585 3HE MET 70 3HE MET 70 1.742 -0.503 -0.493 586 H VAL 71 H VAL 71 -2.750 -1.225 -4.408 587 HA VAL 71 HA VAL 71 -3.775 -3.803 -3.798 588 HB VAL 71 HB VAL 71 -5.232 -1.354 -4.806 589 1HG1 VAL 71 1HG1 VAL 71 -6.297 -3.813 -3.415 590 2HG1 VAL 71 2HG1 VAL 71 -6.555 -3.382 -5.105 591 3HG1 VAL 71 3HG1 VAL 71 -7.231 -2.373 -3.826 592 1HG2 VAL 71 1HG2 VAL 71 -4.030 -0.923 -2.730 593 2HG2 VAL 71 2HG2 VAL 71 -4.776 -2.341 -1.990 594 3HG2 VAL 71 3HG2 VAL 71 -5.770 -0.959 -2.449 595 H SER 72 H SER 72 -3.232 -2.069 -6.788 596 HA SER 72 HA SER 72 -4.890 -3.694 -8.418 597 1HB SER 72 2HB SER 72 -4.015 -1.420 -9.038 598 2HB SER 72 1HB SER 72 -2.435 -2.158 -9.290 599 HG SER 72 HG SER 72 -3.352 -3.455 -10.912 600 H PHE 73 H PHE 73 -1.682 -4.086 -7.123 601 HA PHE 73 HA PHE 73 -1.103 -6.319 -8.888 602 1HB PHE 73 2HB PHE 73 0.696 -4.761 -8.182 603 2HB PHE 73 1HB PHE 73 0.449 -5.263 -6.515 604 HD1 PHE 73 1HD PHE 73 1.780 -6.211 -9.782 605 HD2 PHE 73 2HD PHE 73 1.213 -7.427 -5.744 606 HE1 PHE 73 1HE PHE 73 3.420 -8.016 -10.098 607 HE2 PHE 73 2HE PHE 73 2.853 -9.235 -6.055 608 HZ PHE 73 HZ PHE 73 3.960 -9.530 -8.233 609 H LEU 74 H LEU 74 -1.728 -5.747 -5.443 610 HA LEU 74 HA LEU 74 -1.453 -8.502 -4.750 611 1HB LEU 74 2HB LEU 74 -2.560 -6.164 -3.208 612 2HB LEU 74 1HB LEU 74 -2.292 -7.757 -2.531 613 HG LEU 74 HG LEU 74 -0.149 -5.940 -3.639 614 1HD1 LEU 74 1HD1 LEU 74 -1.090 -5.142 -1.528 615 2HD1 LEU 74 2HD1 LEU 74 0.563 -5.722 -1.323 616 3HD1 LEU 74 3HD1 LEU 74 -0.794 -6.721 -0.801 617 1HD2 LEU 74 1HD2 LEU 74 1.423 -7.568 -2.719 618 2HD2 LEU 74 2HD2 LEU 74 0.394 -8.306 -3.947 619 3HD2 LEU 74 3HD2 LEU 74 0.079 -8.602 -2.238 620 H PHE 75 H PHE 75 -4.213 -6.395 -5.408 621 HA PHE 75 HA PHE 75 -6.016 -8.623 -4.747 622 1HB PHE 75 2HB PHE 75 -6.458 -6.512 -3.563 623 2HB PHE 75 1HB PHE 75 -6.640 -5.681 -5.106 624 HD1 PHE 75 1HD PHE 75 -8.086 -8.382 -3.018 625 HD2 PHE 75 2HD PHE 75 -8.704 -5.603 -6.179 626 HE1 PHE 75 1HE PHE 75 -10.482 -8.930 -3.024 627 HE2 PHE 75 2HE PHE 75 -11.104 -6.144 -6.190 628 HZ PHE 75 HZ PHE 75 -11.996 -7.810 -4.612 629 H GLU 76 H GLU 76 -5.196 -6.320 -7.281 630 HA GLU 76 HA GLU 76 -5.602 -6.266 -9.513 631 1HB GLU 76 2HB GLU 76 -6.502 -9.110 -9.038 632 2HB GLU 76 1HB GLU 76 -6.474 -8.363 -10.629 633 1HG GLU 76 2HG GLU 76 -4.020 -8.429 -8.926 634 2HG GLU 76 1HG GLU 76 -4.492 -9.826 -9.891 635 H GLY 77 H GLY 77 -7.099 -4.640 -9.333 636 1HA GLY 77 2HA GLY 77 -9.387 -4.449 -10.476 637 2HA GLY 77 1HA GLY 77 -9.922 -5.442 -9.127 638 H LYS 78 H LYS 78 -8.078 -2.454 -9.711 639 HA LYS 78 HA LYS 78 -9.032 -1.392 -7.191 640 1HB LYS 78 2HB LYS 78 -6.858 -0.747 -9.049 641 2HB LYS 78 1HB LYS 78 -7.645 0.661 -8.354 642 1HG LYS 78 2HG LYS 78 -6.463 -1.625 -6.803 643 2HG LYS 78 1HG LYS 78 -5.710 -0.048 -7.042 644 1HD LYS 78 2HD LYS 78 -8.353 -0.531 -5.661 645 2HD LYS 78 1HD LYS 78 -6.822 -0.251 -4.841 646 1HE LYS 78 2HE LYS 78 -6.686 1.971 -5.824 647 2HE LYS 78 1HE LYS 78 -8.183 1.683 -6.711 648 1HZ LYS 78 1HZ LYS 78 -9.411 1.586 -4.691 649 2HZ LYS 78 2HZ LYS 78 -8.457 2.985 -4.620 650 3HZ LYS 78 3HZ LYS 78 -8.003 1.613 -3.751 651 H ASP 79 H ASP 79 -10.592 0.012 -6.923 652 HA ASP 79 HA ASP 79 -12.326 0.847 -8.974 653 1HB ASP 79 2HB ASP 79 -13.271 2.358 -7.214 654 2HB ASP 79 1HB ASP 79 -13.105 0.689 -6.680 655 H VAL 80 H VAL 80 -9.833 2.593 -7.150 656 HA VAL 80 HA VAL 80 -9.980 4.983 -8.632 657 HB VAL 80 HB VAL 80 -7.620 3.869 -7.096 658 1HG1 VAL 80 1HG1 VAL 80 -8.204 6.680 -8.024 659 2HG1 VAL 80 2HG1 VAL 80 -6.942 5.619 -8.648 660 3HG1 VAL 80 3HG1 VAL 80 -6.860 6.201 -6.986 661 1HG2 VAL 80 1HG2 VAL 80 -9.593 4.114 -5.691 662 2HG2 VAL 80 2HG2 VAL 80 -9.786 5.781 -6.234 663 3HG2 VAL 80 3HG2 VAL 80 -8.375 5.322 -5.280 664 H HIS 81 H HIS 81 -9.277 5.447 -10.602 665 HA HIS 81 HA HIS 81 -7.985 3.417 -12.182 666 1HB HIS 81 2HB HIS 81 -8.754 6.259 -12.883 667 2HB HIS 81 1HB HIS 81 -8.187 5.050 -14.028 668 HD1 HIS 81 1HD HIS 81 -9.888 3.437 -14.949 669 HD2 HIS 81 2HD HIS 81 -11.370 5.743 -11.826 670 HE1 HIS 81 1HE HIS 81 -12.363 3.003 -14.900 671 HE2 HIS 81 2HE HIS 81 -13.209 4.278 -12.904 672 H ILE 82 H ILE 82 -5.868 3.142 -12.275 673 HA ILE 82 HA ILE 82 -4.066 4.949 -11.015 674 HB ILE 82 HB ILE 82 -3.304 2.705 -12.887 675 1HG1 ILE 82 2HG1 ILE 82 -3.978 2.630 -9.941 676 2HG1 ILE 82 1HG1 ILE 82 -4.815 1.790 -11.234 677 1HG2 ILE 82 1HG2 ILE 82 -1.254 2.650 -11.545 678 2HG2 ILE 82 2HG2 ILE 82 -1.852 3.997 -10.574 679 3HG2 ILE 82 3HG2 ILE 82 -1.494 4.232 -12.286 680 1HD1 ILE 82 1HD1 ILE 82 -1.985 1.264 -10.368 681 2HD1 ILE 82 2HD1 ILE 82 -2.882 0.388 -11.610 682 3HD1 ILE 82 3HD1 ILE 82 -3.394 0.302 -9.925 683 H GLU 83 H GLU 83 -3.338 6.778 -11.822 684 HA GLU 83 HA GLU 83 -2.647 8.413 -13.234 685 1HB GLU 83 2HB GLU 83 -1.077 6.625 -14.032 686 2HB GLU 83 1HB GLU 83 -2.247 6.210 -15.272 687 1HG GLU 83 2HG GLU 83 -0.426 7.606 -16.122 688 2HG GLU 83 1HG GLU 83 -2.002 8.377 -16.294 689 H GLY 84 H GLY 84 -5.426 7.233 -13.162 690 1HA GLY 84 2HA GLY 84 -6.442 8.859 -15.374 691 2HA GLY 84 1HA GLY 84 -6.983 7.190 -15.256 692 H TYR 85 H TYR 85 -6.313 9.106 -12.431 693 HA TYR 85 HA TYR 85 -9.078 8.784 -11.607 694 1HB TYR 85 2HB TYR 85 -8.306 9.554 -9.402 695 2HB TYR 85 1HB TYR 85 -7.336 8.213 -9.990 696 HD1 TYR 85 1HD TYR 85 -4.998 8.500 -10.503 697 HD2 TYR 85 2HD TYR 85 -7.360 11.817 -9.261 698 HE1 TYR 85 1HE TYR 85 -2.951 9.803 -10.101 699 HE2 TYR 85 2HE TYR 85 -5.320 13.129 -8.865 700 HH TYR 85 HH TYR 85 -2.962 12.741 -8.370 701 H THR 86 H THR 86 -9.976 10.763 -10.314 702 HA THR 86 HA THR 86 -9.828 13.007 -12.196 703 HB THR 86 HB THR 86 -12.053 13.651 -11.303 704 HG1 THR 86 1HG THR 86 -12.932 11.537 -10.124 705 1HG2 THR 86 1HG2 THR 86 -11.872 10.801 -12.274 706 2HG2 THR 86 2HG2 THR 86 -11.914 12.240 -13.291 707 3HG2 THR 86 3HG2 THR 86 -13.317 11.809 -12.311 708 HA PRO 87 HA PRO 87 -8.250 15.774 -9.066 709 1HB PRO 87 2HB PRO 87 -10.064 17.828 -10.164 710 2HB PRO 87 1HB PRO 87 -8.301 17.831 -10.058 711 1HG PRO 87 2HG PRO 87 -9.550 17.527 -12.405 712 2HG PRO 87 1HG PRO 87 -8.047 16.659 -12.037 713 1HD PRO 87 2HD PRO 87 -10.875 15.666 -11.982 714 2HD PRO 87 1HD PRO 87 -9.410 14.863 -12.589 715 H GLU 88 H GLU 88 -11.566 15.067 -9.516 716 HA GLU 88 HA GLU 88 -12.771 16.480 -7.416 717 1HB GLU 88 2HB GLU 88 -13.959 15.246 -9.231 718 2HB GLU 88 1HB GLU 88 -13.479 13.736 -8.471 719 1HG GLU 88 2HG GLU 88 -14.756 14.356 -6.471 720 2HG GLU 88 1HG GLU 88 -15.267 15.842 -7.275 721 H ASP 89 H ASP 89 -11.183 13.350 -7.563 722 HA ASP 89 HA ASP 89 -9.968 12.200 -6.054 723 1HB ASP 89 2HB ASP 89 -9.229 14.457 -5.241 724 2HB ASP 89 1HB ASP 89 -10.521 14.390 -4.047 725 H LYS 90 H LYS 90 -12.483 13.699 -4.011 726 HA LYS 90 HA LYS 90 -13.871 11.204 -3.709 727 1HB LYS 90 2HB LYS 90 -13.512 11.022 -1.262 728 2HB LYS 90 1HB LYS 90 -12.041 10.752 -2.186 729 1HG LYS 90 2HG LYS 90 -11.301 13.022 -1.698 730 2HG LYS 90 1HG LYS 90 -12.784 13.313 -0.787 731 1HD LYS 90 2HD LYS 90 -12.176 11.608 0.819 732 2HD LYS 90 1HD LYS 90 -10.744 11.192 -0.127 733 1HE LYS 90 2HE LYS 90 -11.266 13.880 1.135 734 2HE LYS 90 1HE LYS 90 -10.236 12.628 1.823 735 1HZ LYS 90 1HZ LYS 90 -9.048 14.395 0.554 736 2HZ LYS 90 2HZ LYS 90 -9.782 13.816 -0.859 737 3HZ LYS 90 3HZ LYS 90 -8.735 12.825 0.018 738 H LYS 91 H LYS 91 -15.587 11.456 -1.933 739 HA LYS 91 HA LYS 91 -16.819 14.079 -2.268 740 1HB LYS 91 2HB LYS 91 -17.926 11.487 -1.159 741 2HB LYS 91 1HB LYS 91 -18.845 12.970 -1.375 742 1HG LYS 91 2HG LYS 91 -18.640 12.841 -3.748 743 2HG LYS 91 1HG LYS 91 -17.496 11.504 -3.623 744 1HD LYS 91 2HD LYS 91 -19.721 10.706 -4.243 745 2HD LYS 91 1HD LYS 91 -19.239 10.091 -2.662 746 1HE LYS 91 2HE LYS 91 -20.578 11.855 -1.592 747 2HE LYS 91 1HE LYS 91 -21.083 12.418 -3.184 748 1HZ LYS 91 1HZ LYS 91 -21.618 9.711 -2.087 749 2HZ LYS 91 2HZ LYS 91 -22.157 10.313 -3.573 750 3HZ LYS 91 3HZ LYS 91 -22.740 10.978 -2.134 Start of MODEL 7 1 1H MET 1 1HT MET 1 -0.109 -21.168 14.140 2 2H MET 1 2HT MET 1 1.056 -21.019 15.352 3 3H MET 1 3HT MET 1 1.056 -22.375 14.346 4 HA MET 1 HA MET 1 1.605 -19.584 13.535 5 1HB MET 1 2HB MET 1 3.388 -22.014 13.774 6 2HB MET 1 1HB MET 1 3.865 -20.523 12.974 7 1HG MET 1 2HG MET 1 3.588 -19.310 15.072 8 2HG MET 1 1HG MET 1 3.108 -20.805 15.874 9 1HE MET 1 1HE MET 1 4.973 -20.292 17.710 10 2HE MET 1 2HE MET 1 5.493 -18.847 16.845 11 3HE MET 1 3HE MET 1 6.680 -20.055 17.335 12 H SER 2 H SER 2 1.357 -22.975 12.529 13 HA SER 2 HA SER 2 1.654 -22.406 9.758 14 1HB SER 2 2HB SER 2 0.382 -24.858 10.987 15 2HB SER 2 1HB SER 2 1.186 -24.729 9.421 16 HG SER 2 HG SER 2 3.145 -24.352 10.541 17 H ARG 3 H ARG 3 0.189 -21.202 8.717 18 HA ARG 3 HA ARG 3 -2.606 -22.044 8.826 19 1HB ARG 3 2HB ARG 3 -2.302 -20.114 10.405 20 2HB ARG 3 1HB ARG 3 -1.792 -19.138 9.035 21 1HG ARG 3 2HG ARG 3 -3.992 -19.563 7.979 22 2HG ARG 3 1HG ARG 3 -4.491 -20.403 9.446 23 1HD ARG 3 2HD ARG 3 -4.024 -18.326 10.728 24 2HD ARG 3 1HD ARG 3 -3.687 -17.507 9.204 25 HE ARG 3 HE ARG 3 -6.299 -18.789 9.595 26 1HH1 ARG 3 1HH1 ARG 3 -4.402 -15.866 9.191 27 2HH1 ARG 3 2HH1 ARG 3 -5.785 -14.855 8.935 28 1HH2 ARG 3 1HH2 ARG 3 -8.117 -17.461 9.266 29 2HH2 ARG 3 2HH2 ARG 3 -7.903 -15.764 8.978 30 H THR 4 H THR 4 -2.856 -22.695 6.775 31 HA THR 4 HA THR 4 -1.684 -21.072 4.640 32 HB THR 4 HB THR 4 -2.402 -23.124 3.225 33 HG1 THR 4 1HG THR 4 -3.631 -24.258 4.684 34 1HG2 THR 4 1HG2 THR 4 -0.293 -24.235 3.715 35 2HG2 THR 4 2HG2 THR 4 -0.195 -23.417 5.272 36 3HG2 THR 4 3HG2 THR 4 -0.072 -22.488 3.779 37 H ILE 5 H ILE 5 -2.879 -19.857 3.382 38 HA ILE 5 HA ILE 5 -5.795 -20.282 3.334 39 HB ILE 5 HB ILE 5 -5.937 -17.800 2.809 40 1HG1 ILE 5 2HG1 ILE 5 -3.987 -16.498 3.900 41 2HG1 ILE 5 1HG1 ILE 5 -3.050 -17.968 3.669 42 1HG2 ILE 5 1HG2 ILE 5 -5.845 -17.148 5.163 43 2HG2 ILE 5 2HG2 ILE 5 -4.935 -18.611 5.534 44 3HG2 ILE 5 3HG2 ILE 5 -6.597 -18.730 4.958 45 1HD1 ILE 5 1HD1 ILE 5 -2.648 -16.373 1.889 46 2HD1 ILE 5 2HD1 ILE 5 -4.370 -16.345 1.504 47 3HD1 ILE 5 3HD1 ILE 5 -3.435 -17.821 1.261 48 H PHE 6 H PHE 6 -6.681 -18.920 1.325 49 HA PHE 6 HA PHE 6 -5.248 -19.979 -0.996 50 1HB PHE 6 2HB PHE 6 -8.063 -18.880 -0.788 51 2HB PHE 6 1HB PHE 6 -7.344 -19.587 -2.231 52 HD1 PHE 6 1HD PHE 6 -6.589 -22.019 -2.106 53 HD2 PHE 6 2HD PHE 6 -9.156 -20.213 0.768 54 HE1 PHE 6 1HE PHE 6 -7.349 -24.248 -1.390 55 HE2 PHE 6 2HE PHE 6 -9.918 -22.436 1.493 56 HZ PHE 6 HZ PHE 6 -9.012 -24.456 0.416 57 H CYS 7 H CYS 7 -3.725 -18.558 -1.588 58 HA CYS 7 HA CYS 7 -4.108 -15.726 -1.306 59 1HB CYS 7 2HB CYS 7 -1.889 -16.700 -0.978 60 2HB CYS 7 1HB CYS 7 -1.880 -17.281 -2.639 61 HG CYS 7 HG CYS 7 -2.310 -13.963 -2.210 62 H THR 8 H THR 8 -4.492 -14.226 -2.841 63 HA THR 8 HA THR 8 -6.018 -14.965 -5.089 64 HB THR 8 HB THR 8 -5.720 -12.472 -5.656 65 HG1 THR 8 1HG THR 8 -4.669 -11.235 -4.147 66 1HG2 THR 8 1HG2 THR 8 -6.829 -13.325 -2.975 67 2HG2 THR 8 2HG2 THR 8 -7.694 -13.299 -4.512 68 3HG2 THR 8 3HG2 THR 8 -7.175 -11.788 -3.765 69 H TYR 9 H TYR 9 -2.707 -13.721 -4.810 70 HA TYR 9 HA TYR 9 -2.382 -13.594 -7.662 71 1HB TYR 9 2HB TYR 9 -1.286 -12.035 -5.994 72 2HB TYR 9 1HB TYR 9 -0.212 -13.367 -5.572 73 HD1 TYR 9 1HD TYR 9 1.656 -13.905 -6.935 74 HD2 TYR 9 2HD TYR 9 -1.241 -11.114 -8.319 75 HE1 TYR 9 1HE TYR 9 3.143 -13.292 -8.796 76 HE2 TYR 9 2HE TYR 9 0.236 -10.493 -10.183 77 HH TYR 9 HH TYR 9 2.912 -12.317 -11.085 78 H LEU 10 H LEU 10 -1.541 -15.857 -5.117 79 HA LEU 10 HA LEU 10 0.166 -17.383 -6.896 80 1HB LEU 10 2HB LEU 10 -0.574 -17.619 -4.010 81 2HB LEU 10 1HB LEU 10 0.091 -19.011 -4.840 82 HG LEU 10 HG LEU 10 2.085 -17.605 -5.437 83 1HD1 LEU 10 1HD1 LEU 10 0.839 -15.675 -3.492 84 2HD1 LEU 10 2HD1 LEU 10 1.122 -15.404 -5.212 85 3HD1 LEU 10 3HD1 LEU 10 2.488 -15.583 -4.110 86 1HD2 LEU 10 1HD2 LEU 10 1.481 -17.995 -2.510 87 2HD2 LEU 10 2HD2 LEU 10 3.084 -17.743 -3.203 88 3HD2 LEU 10 3HD2 LEU 10 2.166 -19.191 -3.611 89 H GLN 11 H GLN 11 -3.093 -17.528 -5.633 90 HA GLN 11 HA GLN 11 -4.839 -18.918 -5.996 91 1HB GLN 11 2HB GLN 11 -3.286 -19.357 -8.543 92 2HB GLN 11 1HB GLN 11 -4.863 -20.084 -8.257 93 1HG GLN 11 2HG GLN 11 -4.313 -17.127 -8.176 94 2HG GLN 11 1HG GLN 11 -4.950 -17.991 -9.574 95 1HE2 GLN 11 1HE2 GLN 11 -6.084 -15.859 -7.825 96 2HE2 GLN 11 2HE2 GLN 11 -7.613 -16.481 -7.308 97 H ARG 12 H ARG 12 -2.909 -19.866 -4.318 98 HA ARG 12 HA ARG 12 -3.280 -22.742 -4.584 99 1HB ARG 12 2HB ARG 12 -0.670 -21.359 -4.666 100 2HB ARG 12 1HB ARG 12 -0.768 -22.729 -3.578 101 1HG ARG 12 2HG ARG 12 -1.743 -23.962 -5.649 102 2HG ARG 12 1HG ARG 12 -0.960 -22.657 -6.548 103 1HD ARG 12 2HD ARG 12 0.489 -24.658 -6.255 104 2HD ARG 12 1HD ARG 12 1.172 -23.185 -5.564 105 HE ARG 12 HE ARG 12 -0.347 -24.824 -3.712 106 1HH1 ARG 12 1HH1 ARG 12 2.824 -24.129 -5.038 107 2HH1 ARG 12 2HH1 ARG 12 3.669 -24.760 -3.658 108 1HH2 ARG 12 1HH2 ARG 12 0.748 -25.625 -1.894 109 2HH2 ARG 12 2HH2 ARG 12 2.490 -25.618 -1.869 110 H ASP 13 H ASP 13 -2.291 -23.809 -2.541 111 HA ASP 13 HA ASP 13 -3.224 -22.544 -0.160 112 1HB ASP 13 2HB ASP 13 -2.129 -24.494 0.967 113 2HB ASP 13 1HB ASP 13 -3.258 -24.960 -0.298 114 H ALA 14 H ALA 14 -2.210 -20.884 0.727 115 HA ALA 14 HA ALA 14 0.718 -20.747 0.510 116 1HB ALA 14 1HB ALA 14 -0.380 -19.418 -1.275 117 2HB ALA 14 2HB ALA 14 0.623 -18.462 -0.187 118 3HB ALA 14 3HB ALA 14 -1.132 -18.432 -0.020 119 H GLU 15 H GLU 15 1.371 -18.567 1.763 120 HA GLU 15 HA GLU 15 0.910 -19.221 4.506 121 1HB GLU 15 2HB GLU 15 2.283 -16.791 3.341 122 2HB GLU 15 1HB GLU 15 2.489 -17.443 4.961 123 1HG GLU 15 2HG GLU 15 3.809 -19.163 4.254 124 2HG GLU 15 1HG GLU 15 3.117 -19.183 2.630 125 H GLY 16 H GLY 16 -0.423 -18.262 5.950 126 1HA GLY 16 2HA GLY 16 -2.351 -16.337 5.018 127 2HA GLY 16 1HA GLY 16 -2.259 -17.032 6.629 128 H GLN 17 H GLN 17 0.683 -15.806 5.593 129 HA GLN 17 HA GLN 17 1.977 -14.049 6.162 130 1HB GLN 17 2HB GLN 17 -0.496 -12.966 5.259 131 2HB GLN 17 1HB GLN 17 0.054 -11.990 6.611 132 1HG GLN 17 2HG GLN 17 1.880 -12.685 4.343 133 2HG GLN 17 1HG GLN 17 0.773 -11.318 4.251 134 1HE2 GLN 17 1HE2 GLN 17 0.960 -10.622 7.024 135 2HE2 GLN 17 2HE2 GLN 17 2.535 -9.946 7.280 136 H ASP 18 H ASP 18 1.938 -12.044 7.920 137 HA ASP 18 HA ASP 18 1.255 -13.338 10.450 138 1HB ASP 18 2HB ASP 18 2.707 -11.663 11.525 139 2HB ASP 18 1HB ASP 18 3.569 -12.593 10.309 140 H PHE 19 H PHE 19 0.562 -11.644 12.189 141 HA PHE 19 HA PHE 19 -2.007 -10.911 11.076 142 1HB PHE 19 2HB PHE 19 -1.081 -11.250 13.929 143 2HB PHE 19 1HB PHE 19 -2.731 -10.863 13.454 144 HD1 PHE 19 1HD PHE 19 -0.303 -13.470 13.902 145 HD2 PHE 19 2HD PHE 19 -4.017 -12.515 12.051 146 HE1 PHE 19 1HE PHE 19 -0.781 -15.869 13.628 147 HE2 PHE 19 2HE PHE 19 -4.503 -14.913 11.779 148 HZ PHE 19 HZ PHE 19 -2.883 -16.593 12.567 149 H GLN 20 H GLN 20 -2.883 -9.214 13.101 150 HA GLN 20 HA GLN 20 -2.344 -6.752 11.852 151 1HB GLN 20 2HB GLN 20 -3.682 -7.218 14.524 152 2HB GLN 20 1HB GLN 20 -3.865 -5.813 13.483 153 1HG GLN 20 2HG GLN 20 -4.661 -8.591 12.660 154 2HG GLN 20 1HG GLN 20 -5.759 -7.448 13.433 155 1HE2 GLN 20 1HE2 GLN 20 -6.483 -5.699 12.313 156 2HE2 GLN 20 2HE2 GLN 20 -6.305 -5.534 10.599 157 H LEU 21 H LEU 21 -0.322 -5.973 12.008 158 HA LEU 21 HA LEU 21 0.779 -5.587 14.698 159 1HB LEU 21 2HB LEU 21 2.820 -4.814 13.157 160 2HB LEU 21 1HB LEU 21 2.568 -6.468 13.663 161 HG LEU 21 HG LEU 21 1.549 -6.991 11.492 162 1HD1 LEU 21 1HD1 LEU 21 0.606 -4.823 10.936 163 2HD1 LEU 21 2HD1 LEU 21 1.670 -5.396 9.651 164 3HD1 LEU 21 3HD1 LEU 21 2.226 -4.150 10.767 165 1HD2 LEU 21 1HD2 LEU 21 4.233 -5.638 11.284 166 2HD2 LEU 21 2HD2 LEU 21 3.574 -6.809 10.144 167 3HD2 LEU 21 3HD2 LEU 21 3.941 -7.300 11.795 168 H TYR 22 H TYR 22 -0.699 -3.948 12.140 169 HA TYR 22 HA TYR 22 -0.405 -1.406 13.473 170 1HB TYR 22 2HB TYR 22 0.690 -1.869 10.708 171 2HB TYR 22 1HB TYR 22 0.170 -0.277 11.233 172 HD1 TYR 22 1HD TYR 22 1.215 0.366 13.656 173 HD2 TYR 22 2HD TYR 22 2.929 -2.292 10.816 174 HE1 TYR 22 1HE TYR 22 3.440 0.786 14.612 175 HE2 TYR 22 2HE TYR 22 5.157 -1.890 11.770 176 HH TYR 22 HH TYR 22 6.282 -0.047 13.064 177 HA PRO 23 HA PRO 23 -3.675 -0.804 10.082 178 1HB PRO 23 2HB PRO 23 -4.225 -2.675 8.245 179 2HB PRO 23 1HB PRO 23 -2.842 -1.587 8.082 180 1HG PRO 23 2HG PRO 23 -2.920 -4.435 8.977 181 2HG PRO 23 1HG PRO 23 -1.737 -3.616 7.944 182 1HD PRO 23 2HD PRO 23 -1.392 -4.136 10.625 183 2HD PRO 23 1HD PRO 23 -0.537 -2.872 9.726 184 H GLY 24 H GLY 24 -5.934 -1.528 9.495 185 1HA GLY 24 2HA GLY 24 -6.931 -3.247 11.667 186 2HA GLY 24 1HA GLY 24 -7.834 -1.942 10.912 187 H GLU 25 H GLU 25 -9.487 -2.744 9.862 188 HA GLU 25 HA GLU 25 -9.812 -5.405 9.129 189 1HB GLU 25 2HB GLU 25 -11.783 -4.575 7.824 190 2HB GLU 25 1HB GLU 25 -11.735 -4.050 9.502 191 1HG GLU 25 2HG GLU 25 -10.815 -1.885 8.758 192 2HG GLU 25 1HG GLU 25 -10.981 -2.420 7.086 193 H LEU 26 H LEU 26 -8.711 -2.664 7.205 194 HA LEU 26 HA LEU 26 -8.775 -4.017 4.714 195 1HB LEU 26 2HB LEU 26 -8.692 -1.547 4.969 196 2HB LEU 26 1HB LEU 26 -7.045 -1.687 5.551 197 HG LEU 26 HG LEU 26 -6.367 -2.619 3.361 198 1HD1 LEU 26 1HD1 LEU 26 -8.504 -3.602 2.712 199 2HD1 LEU 26 2HD1 LEU 26 -7.908 -2.502 1.470 200 3HD1 LEU 26 3HD1 LEU 26 -9.205 -1.994 2.553 201 1HD2 LEU 26 1HD2 LEU 26 -6.186 -0.212 3.821 202 2HD2 LEU 26 2HD2 LEU 26 -7.809 0.027 3.172 203 3HD2 LEU 26 3HD2 LEU 26 -6.512 -0.535 2.119 204 H GLY 27 H GLY 27 -6.441 -3.771 7.296 205 1HA GLY 27 2HA GLY 27 -4.187 -4.744 5.888 206 2HA GLY 27 1HA GLY 27 -4.390 -4.740 7.633 207 H LYS 28 H LYS 28 -6.442 -6.406 8.094 208 HA LYS 28 HA LYS 28 -5.206 -8.923 7.772 209 1HB LYS 28 2HB LYS 28 -7.179 -9.865 8.866 210 2HB LYS 28 1HB LYS 28 -6.591 -8.446 9.715 211 1HG LYS 28 2HG LYS 28 -8.381 -7.111 8.691 212 2HG LYS 28 1HG LYS 28 -8.984 -8.564 7.887 213 1HD LYS 28 2HD LYS 28 -9.300 -9.621 10.088 214 2HD LYS 28 1HD LYS 28 -8.760 -8.135 10.865 215 1HE LYS 28 2HE LYS 28 -11.169 -8.220 10.890 216 2HE LYS 28 1HE LYS 28 -10.638 -6.936 9.811 217 1HZ LYS 28 1HZ LYS 28 -12.441 -8.213 8.846 218 2HZ LYS 28 2HZ LYS 28 -11.535 -9.635 8.965 219 3HZ LYS 28 3HZ LYS 28 -11.031 -8.399 7.931 220 H ARG 29 H ARG 29 -7.655 -7.247 5.931 221 HA ARG 29 HA ARG 29 -8.564 -9.411 4.389 222 1HB ARG 29 2HB ARG 29 -9.690 -7.246 4.293 223 2HB ARG 29 1HB ARG 29 -8.249 -6.501 3.611 224 1HG ARG 29 2HG ARG 29 -8.472 -7.977 1.639 225 2HG ARG 29 1HG ARG 29 -9.978 -8.597 2.313 226 1HD ARG 29 2HD ARG 29 -10.987 -6.409 2.183 227 2HD ARG 29 1HD ARG 29 -9.459 -5.697 1.657 228 HE ARG 29 HE ARG 29 -10.147 -7.752 -0.118 229 1HH1 ARG 29 1HH1 ARG 29 -11.292 -4.573 0.805 230 2HH1 ARG 29 2HH1 ARG 29 -11.946 -4.219 -0.763 231 1HH2 ARG 29 1HH2 ARG 29 -11.016 -7.283 -2.176 232 2HH2 ARG 29 2HH2 ARG 29 -11.814 -5.763 -2.441 233 H ILE 30 H ILE 30 -5.821 -7.206 3.969 234 HA ILE 30 HA ILE 30 -4.937 -8.274 1.507 235 HB ILE 30 HB ILE 30 -3.275 -6.908 3.630 236 1HG1 ILE 30 2HG1 ILE 30 -4.718 -5.727 1.247 237 2HG1 ILE 30 1HG1 ILE 30 -5.223 -5.558 2.924 238 1HG2 ILE 30 1HG2 ILE 30 -1.944 -8.096 1.956 239 2HG2 ILE 30 2HG2 ILE 30 -1.764 -6.350 1.802 240 3HG2 ILE 30 3HG2 ILE 30 -2.788 -7.233 0.672 241 1HD1 ILE 30 1HD1 ILE 30 -3.154 -4.346 3.410 242 2HD1 ILE 30 2HD1 ILE 30 -4.104 -3.559 2.150 243 3HD1 ILE 30 3HD1 ILE 30 -2.675 -4.500 1.719 244 H TYR 31 H TYR 31 -4.118 -9.034 4.865 245 HA TYR 31 HA TYR 31 -1.921 -10.684 4.208 246 1HB TYR 31 2HB TYR 31 -3.547 -10.522 6.746 247 2HB TYR 31 1HB TYR 31 -2.036 -11.411 6.583 248 HD1 TYR 31 1HD TYR 31 -0.567 -9.445 4.829 249 HD2 TYR 31 2HD TYR 31 -2.907 -8.891 8.337 250 HE1 TYR 31 1HE TYR 31 0.697 -7.407 5.338 251 HE2 TYR 31 2HE TYR 31 -1.649 -6.843 8.857 252 HH TYR 31 HH TYR 31 0.626 -5.889 8.316 253 H ASN 32 H ASN 32 -5.350 -11.431 4.616 254 HA ASN 32 HA ASN 32 -4.702 -14.266 4.511 255 1HB ASN 32 2HB ASN 32 -6.814 -14.751 5.266 256 2HB ASN 32 1HB ASN 32 -6.556 -13.174 5.984 257 1HD2 ASN 32 1HD2 ASN 32 -7.101 -11.643 3.574 258 2HD2 ASN 32 2HD2 ASN 32 -8.795 -11.799 3.280 259 H GLU 33 H GLU 33 -4.953 -11.926 2.279 260 HA GLU 33 HA GLU 33 -5.973 -13.766 0.212 261 1HB GLU 33 2HB GLU 33 -5.591 -10.760 0.135 262 2HB GLU 33 1HB GLU 33 -6.085 -11.731 -1.241 263 1HG GLU 33 2HG GLU 33 -7.657 -11.673 1.309 264 2HG GLU 33 1HG GLU 33 -7.888 -10.481 0.037 265 H ILE 34 H ILE 34 -3.206 -12.112 1.428 266 HA ILE 34 HA ILE 34 -1.683 -12.829 -0.977 267 HB ILE 34 HB ILE 34 -1.470 -10.398 0.779 268 1HG1 ILE 34 2HG1 ILE 34 -3.083 -10.340 -1.081 269 2HG1 ILE 34 1HG1 ILE 34 -1.761 -9.205 -1.330 270 1HG2 ILE 34 1HG2 ILE 34 0.501 -11.303 -1.314 271 2HG2 ILE 34 2HG2 ILE 34 0.788 -11.254 0.424 272 3HG2 ILE 34 3HG2 ILE 34 0.527 -9.755 -0.468 273 1HD1 ILE 34 1HD1 ILE 34 -0.684 -10.883 -2.811 274 2HD1 ILE 34 2HD1 ILE 34 -2.238 -10.295 -3.403 275 3HD1 ILE 34 3HD1 ILE 34 -2.127 -11.885 -2.648 276 H SER 35 H SER 35 -0.298 -14.351 -0.652 277 HA SER 35 HA SER 35 0.651 -15.208 1.885 278 1HB SER 35 2HB SER 35 0.409 -16.533 -0.321 279 2HB SER 35 1HB SER 35 1.945 -15.798 -0.774 280 HG SER 35 HG SER 35 2.929 -16.819 0.975 281 H LYS 36 H LYS 36 2.786 -15.014 2.717 282 HA LYS 36 HA LYS 36 4.117 -12.601 2.441 283 1HB LYS 36 2HB LYS 36 5.104 -15.287 3.374 284 2HB LYS 36 1HB LYS 36 6.108 -13.843 3.420 285 1HG LYS 36 2HG LYS 36 4.403 -12.754 4.827 286 2HG LYS 36 1HG LYS 36 3.501 -14.269 4.845 287 1HD LYS 36 2HD LYS 36 5.140 -15.367 6.090 288 2HD LYS 36 1HD LYS 36 6.366 -14.151 5.715 289 1HE LYS 36 2HE LYS 36 3.907 -13.672 7.397 290 2HE LYS 36 1HE LYS 36 5.521 -13.994 8.030 291 1HZ LYS 36 1HZ LYS 36 4.916 -11.598 7.939 292 2HZ LYS 36 2HZ LYS 36 4.871 -11.706 6.248 293 3HZ LYS 36 3HZ LYS 36 6.324 -11.976 7.072 294 H ASP 37 H ASP 37 4.349 -15.498 0.552 295 HA ASP 37 HA ASP 37 6.647 -15.101 -0.917 296 1HB ASP 37 2HB ASP 37 5.179 -17.071 -1.135 297 2HB ASP 37 1HB ASP 37 3.958 -16.076 -1.921 298 H ALA 38 H ALA 38 3.391 -13.939 -1.761 299 HA ALA 38 HA ALA 38 4.385 -12.276 -3.874 300 1HB ALA 38 1HB ALA 38 1.641 -12.405 -2.620 301 2HB ALA 38 2HB ALA 38 2.179 -13.298 -4.042 302 3HB ALA 38 3HB ALA 38 2.056 -11.540 -4.099 303 H TRP 39 H TRP 39 3.413 -11.816 -0.526 304 HA TRP 39 HA TRP 39 3.245 -9.011 -0.523 305 1HB TRP 39 2HB TRP 39 2.439 -10.420 1.334 306 2HB TRP 39 1HB TRP 39 4.097 -10.854 1.721 307 HD1 TRP 39 HD TRP 39 5.252 -9.400 3.492 308 HE1 TRP 39 1HE TRP 39 4.760 -7.136 4.617 309 HE3 TRP 39 3HE TRP 39 1.225 -7.962 0.685 310 HZ2 TRP 39 2HZ TRP 39 2.920 -5.017 4.335 311 HZ3 TRP 39 3HZ TRP 39 0.162 -5.799 1.176 312 HH2 TRP 39 HH TRP 39 0.990 -4.361 2.961 313 H ALA 40 H ALA 40 5.977 -11.169 0.196 314 HA ALA 40 HA ALA 40 7.847 -9.141 0.743 315 1HB ALA 40 1HB ALA 40 9.543 -10.854 0.440 316 2HB ALA 40 2HB ALA 40 8.359 -11.907 -0.338 317 3HB ALA 40 3HB ALA 40 8.181 -11.486 1.365 318 H GLN 41 H GLN 41 7.120 -10.913 -2.252 319 HA GLN 41 HA GLN 41 9.043 -9.701 -3.879 320 1HB GLN 41 2HB GLN 41 6.311 -10.766 -4.601 321 2HB GLN 41 1HB GLN 41 7.535 -10.309 -5.776 322 1HG GLN 41 2HG GLN 41 9.024 -12.024 -4.908 323 2HG GLN 41 1HG GLN 41 7.816 -12.471 -3.705 324 1HE2 GLN 41 1HE2 GLN 41 9.012 -14.093 -5.773 325 2HE2 GLN 41 2HE2 GLN 41 7.714 -14.669 -6.758 326 H TRP 42 H TRP 42 5.651 -8.778 -3.292 327 HA TRP 42 HA TRP 42 5.711 -6.586 -5.065 328 1HB TRP 42 2HB TRP 42 3.596 -7.574 -4.356 329 2HB TRP 42 1HB TRP 42 3.893 -7.056 -2.699 330 HD1 TRP 42 HD TRP 42 2.308 -5.106 -2.196 331 HE1 TRP 42 1HE TRP 42 1.579 -2.963 -3.408 332 HE3 TRP 42 3HE TRP 42 4.763 -5.802 -6.630 333 HZ2 TRP 42 2HZ TRP 42 1.994 -1.726 -5.912 334 HZ3 TRP 42 3HZ TRP 42 4.547 -4.092 -8.379 335 HH2 TRP 42 HH TRP 42 3.191 -2.098 -8.031 336 H GLN 43 H GLN 43 6.152 -6.744 -1.530 337 HA GLN 43 HA GLN 43 6.474 -3.969 -1.185 338 1HB GLN 43 2HB GLN 43 7.361 -6.345 0.429 339 2HB GLN 43 1HB GLN 43 7.765 -4.704 0.917 340 1HG GLN 43 2HG GLN 43 4.968 -5.694 0.433 341 2HG GLN 43 1HG GLN 43 5.744 -5.617 2.015 342 1HE2 GLN 43 1HE2 GLN 43 3.360 -4.256 1.022 343 2HE2 GLN 43 2HE2 GLN 43 3.658 -2.567 1.223 344 H HIS 44 H HIS 44 8.808 -6.526 -1.900 345 HA HIS 44 HA HIS 44 11.123 -4.909 -1.695 346 1HB HIS 44 2HB HIS 44 10.953 -7.474 -1.792 347 2HB HIS 44 1HB HIS 44 10.836 -7.278 -3.537 348 HD1 HIS 44 1HD HIS 44 13.231 -7.326 -0.745 349 HD2 HIS 44 2HD HIS 44 13.224 -6.235 -4.757 350 HE1 HIS 44 1HE HIS 44 15.654 -7.104 -1.391 351 HE2 HIS 44 2HE HIS 44 15.619 -6.620 -3.861 352 H LYS 45 H LYS 45 9.000 -5.774 -4.358 353 HA LYS 45 HA LYS 45 10.473 -4.526 -6.422 354 1HB LYS 45 2HB LYS 45 8.700 -6.301 -6.657 355 2HB LYS 45 1HB LYS 45 7.503 -5.060 -6.326 356 1HG LYS 45 2HG LYS 45 7.664 -5.478 -8.696 357 2HG LYS 45 1HG LYS 45 8.220 -3.845 -8.322 358 1HD LYS 45 2HD LYS 45 10.449 -4.383 -8.706 359 2HD LYS 45 1HD LYS 45 10.165 -6.112 -8.501 360 1HE LYS 45 2HE LYS 45 10.544 -5.614 -10.833 361 2HE LYS 45 1HE LYS 45 8.876 -6.128 -10.600 362 1HZ LYS 45 1HZ LYS 45 8.227 -3.777 -10.608 363 2HZ LYS 45 2HZ LYS 45 8.955 -4.245 -12.059 364 3HZ LYS 45 3HZ LYS 45 9.830 -3.338 -10.933 365 H GLN 46 H GLN 46 7.579 -3.535 -4.636 366 HA GLN 46 HA GLN 46 7.203 -1.076 -5.908 367 1HB GLN 46 2HB GLN 46 5.495 -2.238 -4.555 368 2HB GLN 46 1HB GLN 46 6.413 -1.867 -3.103 369 1HG GLN 46 2HG GLN 46 4.539 -0.353 -3.375 370 2HG GLN 46 1HG GLN 46 6.071 0.511 -3.474 371 1HE2 GLN 46 1HE2 GLN 46 5.053 2.210 -4.565 372 2HE2 GLN 46 2HE2 GLN 46 4.562 2.089 -6.223 373 H THR 47 H THR 47 9.013 -1.907 -2.967 374 HA THR 47 HA THR 47 9.684 0.743 -2.277 375 HB THR 47 HB THR 47 11.226 -1.797 -1.694 376 HG1 THR 47 1HG THR 47 9.329 -2.072 -0.685 377 1HG2 THR 47 1HG2 THR 47 12.590 0.208 -1.328 378 2HG2 THR 47 2HG2 THR 47 12.155 -0.550 0.203 379 3HG2 THR 47 3HG2 THR 47 11.311 0.901 -0.331 380 H MET 48 H MET 48 11.140 -1.576 -4.486 381 HA MET 48 HA MET 48 13.461 -0.041 -5.054 382 1HB MET 48 2HB MET 48 13.201 -2.478 -5.571 383 2HB MET 48 1HB MET 48 12.084 -2.041 -6.856 384 1HG MET 48 2HG MET 48 14.291 -2.477 -7.745 385 2HG MET 48 1HG MET 48 13.846 -0.786 -7.973 386 1HE MET 48 1HE MET 48 16.805 -1.907 -8.259 387 2HE MET 48 2HE MET 48 17.728 -0.658 -7.426 388 3HE MET 48 3HE MET 48 16.396 -0.206 -8.492 389 H LEU 49 H LEU 49 10.259 -0.304 -6.535 390 HA LEU 49 HA LEU 49 10.614 1.555 -8.606 391 1HB LEU 49 2HB LEU 49 8.282 0.440 -7.143 392 2HB LEU 49 1HB LEU 49 8.016 1.917 -8.048 393 HG LEU 49 HG LEU 49 8.760 0.795 -10.103 394 1HD1 LEU 49 1HD1 LEU 49 10.304 -0.815 -9.124 395 2HD1 LEU 49 2HD1 LEU 49 9.104 -1.611 -10.143 396 3HD1 LEU 49 3HD1 LEU 49 8.948 -1.672 -8.388 397 1HD2 LEU 49 1HD2 LEU 49 6.609 -0.697 -8.613 398 2HD2 LEU 49 2HD2 LEU 49 6.834 -0.680 -10.363 399 3HD2 LEU 49 3HD2 LEU 49 6.398 0.804 -9.515 400 H ILE 50 H ILE 50 9.752 1.956 -5.221 401 HA ILE 50 HA ILE 50 9.222 4.717 -5.253 402 HB ILE 50 HB ILE 50 10.225 2.921 -3.040 403 1HG1 ILE 50 2HG1 ILE 50 7.510 4.150 -3.558 404 2HG1 ILE 50 1HG1 ILE 50 7.947 2.487 -3.931 405 1HG2 ILE 50 1HG2 ILE 50 9.368 5.803 -2.889 406 2HG2 ILE 50 2HG2 ILE 50 10.945 5.135 -2.475 407 3HG2 ILE 50 3HG2 ILE 50 9.536 4.744 -1.491 408 1HD1 ILE 50 1HD1 ILE 50 8.339 2.084 -1.543 409 2HD1 ILE 50 2HD1 ILE 50 6.685 2.586 -1.882 410 3HD1 ILE 50 3HD1 ILE 50 7.835 3.737 -1.197 411 H ASN 51 H ASN 51 12.216 2.911 -5.159 412 HA ASN 51 HA ASN 51 13.851 5.194 -4.563 413 1HB ASN 51 2HB ASN 51 14.528 2.446 -5.619 414 2HB ASN 51 1HB ASN 51 15.734 3.676 -5.256 415 1HD2 ASN 51 1HD2 ASN 51 15.361 1.050 -4.080 416 2HD2 ASN 51 2HD2 ASN 51 15.129 1.306 -2.385 417 H GLU 52 H GLU 52 12.803 3.516 -7.476 418 HA GLU 52 HA GLU 52 14.482 4.969 -9.265 419 1HB GLU 52 2HB GLU 52 11.921 3.451 -9.777 420 2HB GLU 52 1HB GLU 52 12.988 4.068 -11.029 421 1HG GLU 52 2HG GLU 52 14.788 2.623 -10.147 422 2HG GLU 52 1HG GLU 52 13.640 1.952 -8.989 423 H LYS 53 H LYS 53 11.029 5.193 -8.458 424 HA LYS 53 HA LYS 53 10.593 7.560 -10.004 425 1HB LYS 53 2HB LYS 53 8.944 6.438 -7.730 426 2HB LYS 53 1HB LYS 53 8.409 7.625 -8.907 427 1HG LYS 53 2HG LYS 53 8.501 5.973 -10.668 428 2HG LYS 53 1HG LYS 53 9.165 4.777 -9.549 429 1HD LYS 53 2HD LYS 53 7.105 4.975 -8.181 430 2HD LYS 53 1HD LYS 53 6.440 6.075 -9.390 431 1HE LYS 53 2HE LYS 53 6.569 4.300 -11.071 432 2HE LYS 53 1HE LYS 53 7.247 3.206 -9.866 433 1HZ LYS 53 1HZ LYS 53 4.876 2.839 -10.158 434 2HZ LYS 53 2HZ LYS 53 4.551 4.446 -9.750 435 3HZ LYS 53 3HZ LYS 53 5.193 3.395 -8.595 436 H LYS 54 H LYS 54 11.898 6.907 -6.930 437 HA LYS 54 HA LYS 54 12.258 8.023 -5.009 438 1HB LYS 54 2HB LYS 54 12.439 10.370 -6.899 439 2HB LYS 54 1HB LYS 54 12.893 10.433 -5.201 440 1HG LYS 54 2HG LYS 54 14.418 8.410 -5.836 441 2HG LYS 54 1HG LYS 54 14.228 9.039 -7.473 442 1HD LYS 54 2HD LYS 54 15.253 10.575 -5.089 443 2HD LYS 54 1HD LYS 54 16.235 9.928 -6.400 444 1HE LYS 54 2HE LYS 54 15.129 11.387 -7.989 445 2HE LYS 54 1HE LYS 54 14.055 11.985 -6.725 446 1HZ LYS 54 1HZ LYS 54 16.003 12.878 -5.575 447 2HZ LYS 54 2HZ LYS 54 15.839 13.536 -7.120 448 3HZ LYS 54 3HZ LYS 54 17.002 12.345 -6.833 449 H LEU 55 H LEU 55 10.032 7.396 -4.550 450 HA LEU 55 HA LEU 55 8.058 9.528 -4.660 451 1HB LEU 55 2HB LEU 55 7.818 6.722 -3.563 452 2HB LEU 55 1HB LEU 55 6.501 7.859 -3.748 453 HG LEU 55 HG LEU 55 8.089 6.576 -5.968 454 1HD1 LEU 55 1HD1 LEU 55 6.503 5.065 -4.952 455 2HD1 LEU 55 2HD1 LEU 55 5.919 5.561 -6.538 456 3HD1 LEU 55 3HD1 LEU 55 5.225 6.271 -5.081 457 1HD2 LEU 55 1HD2 LEU 55 6.554 7.715 -7.489 458 2HD2 LEU 55 2HD2 LEU 55 7.502 8.868 -6.552 459 3HD2 LEU 55 3HD2 LEU 55 5.819 8.553 -6.125 460 H ASN 56 H ASN 56 8.527 11.053 -3.209 461 HA ASN 56 HA ASN 56 9.172 10.337 -0.469 462 1HB ASN 56 2HB ASN 56 10.210 12.310 -1.681 463 2HB ASN 56 1HB ASN 56 8.638 13.099 -1.588 464 1HD2 ASN 56 1HD2 ASN 56 11.184 13.893 -0.445 465 2HD2 ASN 56 2HD2 ASN 56 10.934 14.012 1.263 466 H MET 57 H MET 57 7.679 10.039 1.037 467 HA MET 57 HA MET 57 4.899 10.288 0.351 468 1HB MET 57 2HB MET 57 6.258 9.322 2.868 469 2HB MET 57 1HB MET 57 4.521 9.264 2.594 470 1HG MET 57 2HG MET 57 6.630 7.843 0.986 471 2HG MET 57 1HG MET 57 5.540 7.109 2.162 472 1HE MET 57 1HE MET 57 4.230 5.690 -1.251 473 2HE MET 57 2HE MET 57 4.833 5.292 0.359 474 3HE MET 57 3HE MET 57 5.908 6.029 -0.830 475 H MET 58 H MET 58 6.731 12.686 0.965 476 HA MET 58 HA MET 58 5.461 14.010 3.149 477 1HB MET 58 2HB MET 58 6.605 16.002 2.389 478 2HB MET 58 1HB MET 58 7.712 14.639 2.281 479 1HG MET 58 2HG MET 58 7.234 14.478 -0.128 480 2HG MET 58 1HG MET 58 6.194 15.893 0.002 481 1HE MET 58 1HE MET 58 8.595 15.700 -2.095 482 2HE MET 58 2HE MET 58 9.222 17.341 -1.937 483 3HE MET 58 3HE MET 58 7.483 17.058 -1.914 484 H ASN 59 H ASN 59 4.733 13.475 -0.164 485 HA ASN 59 HA ASN 59 2.397 15.250 0.041 486 1HB ASN 59 2HB ASN 59 4.092 14.511 -2.334 487 2HB ASN 59 1HB ASN 59 2.432 15.047 -2.548 488 1HD2 ASN 59 1HD2 ASN 59 2.909 16.919 -3.586 489 2HD2 ASN 59 2HD2 ASN 59 3.701 18.257 -2.816 490 H ALA 60 H ALA 60 0.421 14.431 -0.374 491 HA ALA 60 HA ALA 60 0.035 11.660 0.015 492 1HB ALA 60 1HB ALA 60 -1.565 13.355 0.768 493 2HB ALA 60 2HB ALA 60 -2.332 12.138 -0.252 494 3HB ALA 60 3HB ALA 60 -1.950 13.729 -0.912 495 H GLU 61 H GLU 61 0.361 13.618 -2.806 496 HA GLU 61 HA GLU 61 -0.863 12.289 -4.841 497 1HB GLU 61 2HB GLU 61 1.998 13.263 -4.896 498 2HB GLU 61 1HB GLU 61 0.970 12.997 -6.295 499 1HG GLU 61 2HG GLU 61 -0.437 14.816 -5.700 500 2HG GLU 61 1HG GLU 61 0.368 14.997 -4.139 501 H HIS 62 H HIS 62 2.303 11.475 -3.472 502 HA HIS 62 HA HIS 62 2.580 9.230 -5.266 503 1HB HIS 62 2HB HIS 62 4.421 10.044 -3.015 504 2HB HIS 62 1HB HIS 62 4.804 8.977 -4.358 505 HD1 HIS 62 1HD HIS 62 4.921 10.185 -6.787 506 HD2 HIS 62 2HD HIS 62 4.887 12.689 -3.463 507 HE1 HIS 62 1HE HIS 62 5.711 12.423 -7.610 508 HE2 HIS 62 2HE HIS 62 5.598 13.944 -5.609 509 H ARG 63 H ARG 63 1.455 9.812 -2.094 510 HA ARG 63 HA ARG 63 1.868 7.145 -1.126 511 1HB ARG 63 2HB ARG 63 1.655 9.179 0.354 512 2HB ARG 63 1HB ARG 63 -0.057 9.217 -0.049 513 1HG ARG 63 2HG ARG 63 0.758 6.596 0.857 514 2HG ARG 63 1HG ARG 63 1.141 7.844 2.042 515 1HD ARG 63 2HD ARG 63 -1.559 7.527 0.745 516 2HD ARG 63 1HD ARG 63 -1.122 6.800 2.289 517 HE ARG 63 HE ARG 63 -0.627 9.609 2.261 518 1HH1 ARG 63 1HH1 ARG 63 -3.152 7.212 2.614 519 2HH1 ARG 63 2HH1 ARG 63 -4.168 8.236 3.576 520 1HH2 ARG 63 1HH2 ARG 63 -1.953 10.962 3.533 521 2HH2 ARG 63 2HH2 ARG 63 -3.481 10.377 4.108 522 H LYS 64 H LYS 64 -0.691 8.900 -2.777 523 HA LYS 64 HA LYS 64 -2.566 6.734 -2.583 524 1HB LYS 64 2HB LYS 64 -2.556 9.109 -4.454 525 2HB LYS 64 1HB LYS 64 -3.897 7.995 -4.220 526 1HG LYS 64 2HG LYS 64 -3.819 8.674 -1.768 527 2HG LYS 64 1HG LYS 64 -2.773 9.996 -2.294 528 1HD LYS 64 2HD LYS 64 -4.854 10.995 -2.347 529 2HD LYS 64 1HD LYS 64 -4.673 10.457 -4.016 530 1HE LYS 64 2HE LYS 64 -6.147 8.935 -1.867 531 2HE LYS 64 1HE LYS 64 -6.916 9.991 -3.044 532 1HZ LYS 64 1HZ LYS 64 -5.899 8.507 -4.785 533 2HZ LYS 64 2HZ LYS 64 -7.131 7.822 -3.859 534 3HZ LYS 64 3HZ LYS 64 -5.523 7.422 -3.538 535 H LEU 65 H LEU 65 -0.056 7.717 -4.809 536 HA LEU 65 HA LEU 65 -0.567 5.922 -6.890 537 1HB LEU 65 2HB LEU 65 1.934 7.102 -5.743 538 2HB LEU 65 1HB LEU 65 2.057 5.841 -6.953 539 HG LEU 65 HG LEU 65 0.622 8.469 -7.348 540 1HD1 LEU 65 1HD1 LEU 65 3.043 8.763 -7.133 541 2HD1 LEU 65 2HD1 LEU 65 2.506 9.043 -8.786 542 3HD1 LEU 65 3HD1 LEU 65 3.304 7.529 -8.364 543 1HD2 LEU 65 1HD2 LEU 65 0.639 7.778 -9.723 544 2HD2 LEU 65 2HD2 LEU 65 -0.329 6.714 -8.704 545 3HD2 LEU 65 3HD2 LEU 65 1.276 6.209 -9.233 546 H LEU 66 H LEU 66 1.216 5.495 -3.868 547 HA LEU 66 HA LEU 66 1.903 2.812 -4.136 548 1HB LEU 66 2HB LEU 66 2.764 4.243 -2.349 549 2HB LEU 66 1HB LEU 66 1.166 4.341 -1.636 550 HG LEU 66 HG LEU 66 1.262 1.858 -1.278 551 1HD1 LEU 66 1HD1 LEU 66 4.136 2.259 -2.081 552 2HD1 LEU 66 2HD1 LEU 66 2.933 1.272 -2.913 553 3HD1 LEU 66 3HD1 LEU 66 3.491 0.813 -1.304 554 1HD2 LEU 66 1HD2 LEU 66 1.689 3.426 0.532 555 2HD2 LEU 66 2HD2 LEU 66 3.384 3.534 0.056 556 3HD2 LEU 66 3HD2 LEU 66 2.736 2.016 0.674 557 H GLU 67 H GLU 67 -1.029 4.296 -2.830 558 HA GLU 67 HA GLU 67 -2.418 2.020 -2.057 559 1HB GLU 67 2HB GLU 67 -3.261 4.183 -1.477 560 2HB GLU 67 1HB GLU 67 -3.375 4.664 -3.165 561 1HG GLU 67 2HG GLU 67 -5.143 2.963 -3.482 562 2HG GLU 67 1HG GLU 67 -5.067 2.613 -1.756 563 H GLN 68 H GLN 68 -2.549 3.692 -5.195 564 HA GLN 68 HA GLN 68 -4.351 1.952 -6.444 565 1HB GLN 68 2HB GLN 68 -2.178 3.690 -7.624 566 2HB GLN 68 1HB GLN 68 -3.419 2.876 -8.570 567 1HG GLN 68 2HG GLN 68 -5.146 4.155 -7.518 568 2HG GLN 68 1HG GLN 68 -3.990 4.871 -6.394 569 1HE2 GLN 68 1HE2 GLN 68 -3.285 4.344 -9.767 570 2HE2 GLN 68 2HE2 GLN 68 -3.275 6.008 -10.225 571 H GLU 69 H GLU 69 -0.781 1.950 -6.487 572 HA GLU 69 HA GLU 69 -0.577 -0.296 -8.201 573 1HB GLU 69 2HB GLU 69 1.475 0.703 -6.210 574 2HB GLU 69 1HB GLU 69 1.782 -0.343 -7.590 575 1HG GLU 69 2HG GLU 69 0.939 1.533 -9.048 576 2HG GLU 69 1HG GLU 69 0.969 2.552 -7.611 577 H MET 70 H MET 70 -0.634 0.066 -4.703 578 HA MET 70 HA MET 70 -0.032 -2.540 -3.913 579 1HB MET 70 2HB MET 70 -0.263 -0.536 -2.420 580 2HB MET 70 1HB MET 70 -2.006 -0.675 -2.586 581 1HG MET 70 2HG MET 70 -1.457 -1.669 -0.534 582 2HG MET 70 1HG MET 70 -1.796 -2.997 -1.643 583 1HE MET 70 1HE MET 70 1.424 -0.727 -1.339 584 2HE MET 70 2HE MET 70 2.431 -1.725 -0.291 585 3HE MET 70 3HE MET 70 0.941 -1.016 0.332 586 H VAL 71 H VAL 71 -3.254 -1.074 -4.337 587 HA VAL 71 HA VAL 71 -4.702 -3.450 -3.902 588 HB VAL 71 HB VAL 71 -5.552 -1.022 -5.498 589 1HG1 VAL 71 1HG1 VAL 71 -6.984 -2.940 -5.925 590 2HG1 VAL 71 2HG1 VAL 71 -7.838 -1.732 -4.965 591 3HG1 VAL 71 3HG1 VAL 71 -7.200 -3.184 -4.191 592 1HG2 VAL 71 1HG2 VAL 71 -4.871 -0.409 -3.247 593 2HG2 VAL 71 2HG2 VAL 71 -5.925 -1.655 -2.573 594 3HG2 VAL 71 3HG2 VAL 71 -6.622 -0.276 -3.424 595 H SER 72 H SER 72 -3.217 -2.075 -6.742 596 HA SER 72 HA SER 72 -4.556 -3.618 -8.678 597 1HB SER 72 2HB SER 72 -3.258 -1.580 -9.207 598 2HB SER 72 1HB SER 72 -1.771 -2.438 -8.804 599 HG SER 72 HG SER 72 -3.254 -3.858 -10.578 600 H PHE 73 H PHE 73 -1.206 -4.026 -7.459 601 HA PHE 73 HA PHE 73 -0.849 -6.442 -8.874 602 1HB PHE 73 2HB PHE 73 0.972 -4.900 -8.114 603 2HB PHE 73 1HB PHE 73 0.723 -5.495 -6.477 604 HD1 PHE 73 1HD PHE 73 1.849 -6.398 -9.857 605 HD2 PHE 73 2HD PHE 73 1.571 -7.621 -5.792 606 HE1 PHE 73 1HE PHE 73 3.415 -8.241 -10.308 607 HE2 PHE 73 2HE PHE 73 3.142 -9.463 -6.234 608 HZ PHE 73 HZ PHE 73 4.065 -9.772 -8.496 609 H LEU 74 H LEU 74 -1.903 -5.780 -5.582 610 HA LEU 74 HA LEU 74 -1.565 -8.547 -4.810 611 1HB LEU 74 2HB LEU 74 -2.651 -6.174 -3.308 612 2HB LEU 74 1HB LEU 74 -2.441 -7.772 -2.617 613 HG LEU 74 HG LEU 74 -0.252 -5.949 -3.621 614 1HD1 LEU 74 1HD1 LEU 74 -0.947 -6.926 -0.857 615 2HD1 LEU 74 2HD1 LEU 74 -1.190 -5.292 -1.475 616 3HD1 LEU 74 3HD1 LEU 74 0.444 -5.926 -1.281 617 1HD2 LEU 74 1HD2 LEU 74 0.353 -8.234 -4.120 618 2HD2 LEU 74 2HD2 LEU 74 -0.085 -8.739 -2.490 619 3HD2 LEU 74 3HD2 LEU 74 1.291 -7.666 -2.738 620 H PHE 75 H PHE 75 -4.253 -6.430 -5.678 621 HA PHE 75 HA PHE 75 -6.081 -8.684 -5.125 622 1HB PHE 75 2HB PHE 75 -6.610 -5.714 -4.973 623 2HB PHE 75 1HB PHE 75 -7.868 -6.938 -4.876 624 HD1 PHE 75 1HD PHE 75 -8.103 -8.322 -2.917 625 HD2 PHE 75 2HD PHE 75 -5.075 -5.350 -3.153 626 HE1 PHE 75 1HE PHE 75 -7.780 -8.466 -0.483 627 HE2 PHE 75 2HE PHE 75 -4.737 -5.487 -0.723 628 HZ PHE 75 HZ PHE 75 -6.097 -7.046 0.615 629 H GLU 76 H GLU 76 -5.396 -5.986 -7.302 630 HA GLU 76 HA GLU 76 -6.125 -5.414 -9.357 631 1HB GLU 76 2HB GLU 76 -6.233 -8.376 -9.438 632 2HB GLU 76 1HB GLU 76 -7.091 -7.512 -10.710 633 1HG GLU 76 2HG GLU 76 -4.186 -7.158 -10.009 634 2HG GLU 76 1HG GLU 76 -4.813 -8.095 -11.365 635 H GLY 77 H GLY 77 -7.994 -5.672 -6.992 636 1HA GLY 77 2HA GLY 77 -10.562 -6.030 -8.327 637 2HA GLY 77 1HA GLY 77 -10.308 -5.800 -6.603 638 H LYS 78 H LYS 78 -8.980 -3.817 -9.177 639 HA LYS 78 HA LYS 78 -10.771 -1.648 -8.349 640 1HB LYS 78 2HB LYS 78 -8.844 -0.085 -8.862 641 2HB LYS 78 1HB LYS 78 -8.693 -1.043 -7.403 642 1HG LYS 78 2HG LYS 78 -6.570 -1.047 -8.421 643 2HG LYS 78 1HG LYS 78 -7.258 -2.638 -8.737 644 1HD LYS 78 2HD LYS 78 -7.871 -1.945 -10.987 645 2HD LYS 78 1HD LYS 78 -7.266 -0.320 -10.667 646 1HE LYS 78 2HE LYS 78 -5.014 -1.221 -10.356 647 2HE LYS 78 1HE LYS 78 -5.619 -2.847 -10.673 648 1HZ LYS 78 1HZ LYS 78 -5.805 -0.609 -12.609 649 2HZ LYS 78 2HZ LYS 78 -6.148 -2.242 -12.897 650 3HZ LYS 78 3HZ LYS 78 -4.557 -1.748 -12.608 651 H ASP 79 H ASP 79 -11.126 0.003 -10.019 652 HA ASP 79 HA ASP 79 -10.769 -1.102 -12.725 653 1HB ASP 79 2HB ASP 79 -12.746 -0.025 -13.422 654 2HB ASP 79 1HB ASP 79 -13.143 -0.647 -11.825 655 H VAL 80 H VAL 80 -9.332 0.898 -10.701 656 HA VAL 80 HA VAL 80 -9.004 3.247 -12.316 657 HB VAL 80 HB VAL 80 -7.386 2.358 -9.916 658 1HG1 VAL 80 1HG1 VAL 80 -7.709 5.067 -11.202 659 2HG1 VAL 80 2HG1 VAL 80 -6.268 4.054 -11.247 660 3HG1 VAL 80 3HG1 VAL 80 -6.816 4.737 -9.717 661 1HG2 VAL 80 1HG2 VAL 80 -9.820 4.142 -10.038 662 2HG2 VAL 80 2HG2 VAL 80 -8.832 3.846 -8.606 663 3HG2 VAL 80 3HG2 VAL 80 -9.746 2.526 -9.337 664 H HIS 81 H HIS 81 -7.865 3.165 -14.132 665 HA HIS 81 HA HIS 81 -5.688 1.296 -14.457 666 1HB HIS 81 2HB HIS 81 -6.839 3.411 -16.285 667 2HB HIS 81 1HB HIS 81 -5.461 2.403 -16.719 668 HD1 HIS 81 1HD HIS 81 -9.061 2.504 -16.934 669 HD2 HIS 81 2HD HIS 81 -6.184 -0.482 -16.608 670 HE1 HIS 81 1HE HIS 81 -10.193 0.386 -17.669 671 HE2 HIS 81 2HE HIS 81 -8.499 -1.427 -17.263 672 H ILE 82 H ILE 82 -3.693 1.689 -13.831 673 HA ILE 82 HA ILE 82 -3.031 4.260 -12.742 674 HB ILE 82 HB ILE 82 -1.225 1.858 -13.057 675 1HG1 ILE 82 2HG1 ILE 82 -3.008 2.647 -10.740 676 2HG1 ILE 82 1HG1 ILE 82 -3.280 1.286 -11.822 677 1HG2 ILE 82 1HG2 ILE 82 0.014 3.865 -12.585 678 2HG2 ILE 82 2HG2 ILE 82 -0.050 2.882 -11.122 679 3HG2 ILE 82 3HG2 ILE 82 -1.097 4.291 -11.283 680 1HD1 ILE 82 1HD1 ILE 82 -2.348 0.551 -9.713 681 2HD1 ILE 82 2HD1 ILE 82 -0.957 1.610 -9.939 682 3HD1 ILE 82 3HD1 ILE 82 -1.214 0.248 -11.028 683 H GLU 83 H GLU 83 -2.510 5.865 -14.014 684 HA GLU 83 HA GLU 83 -1.722 7.126 -15.691 685 1HB GLU 83 2HB GLU 83 0.664 7.017 -16.117 686 2HB GLU 83 1HB GLU 83 0.321 6.833 -14.410 687 1HG GLU 83 2HG GLU 83 1.914 5.245 -14.633 688 2HG GLU 83 1HG GLU 83 0.505 4.265 -15.025 689 H GLY 84 H GLY 84 -3.102 4.593 -16.464 690 1HA GLY 84 2HA GLY 84 -2.010 4.228 -19.161 691 2HA GLY 84 1HA GLY 84 -3.223 3.209 -18.396 692 H TYR 85 H TYR 85 -3.011 4.947 -20.946 693 HA TYR 85 HA TYR 85 -4.922 7.015 -20.681 694 1HB TYR 85 2HB TYR 85 -4.022 5.528 -23.153 695 2HB TYR 85 1HB TYR 85 -4.952 7.024 -23.153 696 HD1 TYR 85 1HD TYR 85 -1.761 5.716 -23.512 697 HD2 TYR 85 2HD TYR 85 -3.801 8.942 -21.635 698 HE1 TYR 85 1HE TYR 85 0.336 6.998 -23.446 699 HE2 TYR 85 2HE TYR 85 -1.711 10.233 -21.567 700 HH TYR 85 HH TYR 85 0.818 9.628 -21.544 701 H THR 86 H THR 86 -7.043 6.894 -20.480 702 HA THR 86 HA THR 86 -8.378 4.349 -20.900 703 HB THR 86 HB THR 86 -10.358 5.545 -19.895 704 HG1 THR 86 1HG THR 86 -9.244 7.694 -20.521 705 1HG2 THR 86 1HG2 THR 86 -9.466 5.557 -17.631 706 2HG2 THR 86 2HG2 THR 86 -7.819 5.626 -18.258 707 3HG2 THR 86 3HG2 THR 86 -8.808 4.191 -18.536 708 HA PRO 87 HA PRO 87 -10.000 5.522 -24.889 709 1HB PRO 87 2HB PRO 87 -12.078 3.752 -24.984 710 2HB PRO 87 1HB PRO 87 -10.398 3.293 -25.287 711 1HG PRO 87 2HG PRO 87 -12.021 2.998 -22.791 712 2HG PRO 87 1HG PRO 87 -10.903 1.845 -23.540 713 1HD PRO 87 2HD PRO 87 -10.198 3.353 -21.419 714 2HD PRO 87 1HD PRO 87 -9.037 2.905 -22.687 715 H GLU 88 H GLU 88 -10.822 7.562 -24.619 716 HA GLU 88 HA GLU 88 -13.407 7.824 -23.255 717 1HB GLU 88 2HB GLU 88 -11.314 9.902 -23.910 718 2HB GLU 88 1HB GLU 88 -12.867 10.256 -23.163 719 1HG GLU 88 2HG GLU 88 -12.282 8.892 -21.248 720 2HG GLU 88 1HG GLU 88 -10.743 8.471 -22.000 721 H ASP 89 H ASP 89 -11.799 9.603 -25.904 722 HA ASP 89 HA ASP 89 -14.351 10.227 -27.060 723 1HB ASP 89 2HB ASP 89 -12.300 11.727 -27.122 724 2HB ASP 89 1HB ASP 89 -11.652 10.645 -28.347 725 H LYS 90 H LYS 90 -11.691 8.046 -27.785 726 HA LYS 90 HA LYS 90 -13.118 6.937 -30.074 727 1HB LYS 90 2HB LYS 90 -10.400 6.378 -28.886 728 2HB LYS 90 1HB LYS 90 -11.085 5.421 -30.190 729 1HG LYS 90 2HG LYS 90 -11.113 7.316 -31.652 730 2HG LYS 90 1HG LYS 90 -10.634 8.391 -30.339 731 1HD LYS 90 2HD LYS 90 -8.739 7.851 -31.802 732 2HD LYS 90 1HD LYS 90 -8.488 7.248 -30.165 733 1HE LYS 90 2HE LYS 90 -7.787 5.589 -31.782 734 2HE LYS 90 1HE LYS 90 -9.192 5.013 -30.892 735 1HZ LYS 90 1HZ LYS 90 -10.586 5.544 -32.756 736 2HZ LYS 90 2HZ LYS 90 -9.310 4.571 -33.288 737 3HZ LYS 90 3HZ LYS 90 -9.289 6.234 -33.597 738 H LYS 91 H LYS 91 -14.437 5.263 -29.893 739 HA LYS 91 HA LYS 91 -14.385 3.672 -27.433 740 1HB LYS 91 2HB LYS 91 -16.509 4.208 -29.489 741 2HB LYS 91 1HB LYS 91 -16.627 2.812 -28.437 742 1HG LYS 91 2HG LYS 91 -17.947 4.572 -27.519 743 2HG LYS 91 1HG LYS 91 -16.540 4.341 -26.483 744 1HD LYS 91 2HD LYS 91 -15.477 6.289 -27.409 745 2HD LYS 91 1HD LYS 91 -16.757 6.467 -28.613 746 1HE LYS 91 2HE LYS 91 -18.377 6.911 -26.858 747 2HE LYS 91 1HE LYS 91 -17.143 6.651 -25.626 748 1HZ LYS 91 1HZ LYS 91 -15.973 8.576 -26.365 749 2HZ LYS 91 2HZ LYS 91 -17.588 9.015 -26.115 750 3HZ LYS 91 3HZ LYS 91 -17.012 8.781 -27.687 Start of MODEL 8 1 1H MET 1 1HT MET 1 3.392 -25.623 9.217 2 2H MET 1 2HT MET 1 1.971 -26.009 10.048 3 3H MET 1 3HT MET 1 2.844 -24.625 10.468 4 HA MET 1 HA MET 1 2.364 -23.591 8.397 5 1HB MET 1 2HB MET 1 0.793 -24.669 6.807 6 2HB MET 1 1HB MET 1 2.325 -25.515 6.942 7 1HG MET 1 2HG MET 1 -0.149 -26.353 8.425 8 2HG MET 1 1HG MET 1 0.272 -26.953 6.823 9 1HE MET 1 1HE MET 1 -0.270 -28.882 9.250 10 2HE MET 1 2HE MET 1 1.065 -30.026 9.112 11 3HE MET 1 3HE MET 1 0.226 -29.470 7.664 12 H SER 2 H SER 2 0.570 -22.270 8.214 13 HA SER 2 HA SER 2 -1.273 -22.415 10.468 14 1HB SER 2 2HB SER 2 0.004 -20.314 9.830 15 2HB SER 2 1HB SER 2 -1.002 -20.229 8.389 16 HG SER 2 HG SER 2 -1.570 -19.474 10.920 17 H ARG 3 H ARG 3 -3.232 -20.736 8.939 18 HA ARG 3 HA ARG 3 -4.784 -22.894 7.820 19 1HB ARG 3 2HB ARG 3 -5.955 -21.182 9.074 20 2HB ARG 3 1HB ARG 3 -5.303 -19.918 8.038 21 1HG ARG 3 2HG ARG 3 -6.551 -20.886 6.137 22 2HG ARG 3 1HG ARG 3 -7.268 -22.056 7.244 23 1HD ARG 3 2HD ARG 3 -7.497 -19.073 7.575 24 2HD ARG 3 1HD ARG 3 -8.694 -20.061 6.741 25 HE ARG 3 HE ARG 3 -8.426 -21.264 9.169 26 1HH1 ARG 3 1HH1 ARG 3 -9.128 -17.984 8.161 27 2HH1 ARG 3 2HH1 ARG 3 -10.170 -17.658 9.510 28 1HH2 ARG 3 1HH2 ARG 3 -9.791 -20.846 10.935 29 2HH2 ARG 3 2HH2 ARG 3 -10.531 -19.286 11.108 30 H THR 4 H THR 4 -5.107 -23.347 5.713 31 HA THR 4 HA THR 4 -3.327 -22.060 3.827 32 HB THR 4 HB THR 4 -4.461 -23.949 2.331 33 HG1 THR 4 1HG THR 4 -4.658 -25.765 4.041 34 1HG2 THR 4 1HG2 THR 4 -2.650 -25.442 2.994 35 2HG2 THR 4 2HG2 THR 4 -2.419 -24.524 4.483 36 3HG2 THR 4 3HG2 THR 4 -2.077 -23.775 2.923 37 H ILE 5 H ILE 5 -4.051 -20.246 3.010 38 HA ILE 5 HA ILE 5 -6.824 -20.108 2.043 39 HB ILE 5 HB ILE 5 -6.416 -17.630 1.912 40 1HG1 ILE 5 2HG1 ILE 5 -4.502 -16.985 3.656 41 2HG1 ILE 5 1HG1 ILE 5 -3.791 -18.479 3.061 42 1HG2 ILE 5 1HG2 ILE 5 -6.152 -18.896 4.633 43 2HG2 ILE 5 2HG2 ILE 5 -7.653 -18.633 3.745 44 3HG2 ILE 5 3HG2 ILE 5 -6.709 -17.253 4.307 45 1HD1 ILE 5 1HD1 ILE 5 -4.578 -16.111 1.376 46 2HD1 ILE 5 2HD1 ILE 5 -3.843 -17.605 0.789 47 3HD1 ILE 5 3HD1 ILE 5 -2.939 -16.542 1.869 48 H PHE 6 H PHE 6 -7.193 -19.314 -0.088 49 HA PHE 6 HA PHE 6 -5.012 -19.944 -1.895 50 1HB PHE 6 2HB PHE 6 -7.933 -19.346 -2.349 51 2HB PHE 6 1HB PHE 6 -6.786 -19.566 -3.669 52 HD1 PHE 6 1HD PHE 6 -8.336 -21.236 -0.755 53 HD2 PHE 6 2HD PHE 6 -6.102 -21.704 -4.346 54 HE1 PHE 6 1HE PHE 6 -8.631 -23.675 -0.618 55 HE2 PHE 6 2HE PHE 6 -6.402 -24.140 -4.219 56 HZ PHE 6 HZ PHE 6 -7.666 -25.130 -2.352 57 H CYS 7 H CYS 7 -3.597 -18.457 -2.291 58 HA CYS 7 HA CYS 7 -4.036 -15.701 -1.777 59 1HB CYS 7 2HB CYS 7 -1.840 -16.748 -1.485 60 2HB CYS 7 1HB CYS 7 -1.762 -17.090 -3.209 61 HG CYS 7 HG CYS 7 -2.085 -13.881 -2.149 62 H THR 8 H THR 8 -4.287 -14.000 -3.144 63 HA THR 8 HA THR 8 -5.687 -14.444 -5.557 64 HB THR 8 HB THR 8 -5.235 -11.885 -5.779 65 HG1 THR 8 1HG THR 8 -4.246 -10.959 -4.103 66 1HG2 THR 8 1HG2 THR 8 -7.375 -12.843 -5.060 67 2HG2 THR 8 2HG2 THR 8 -6.978 -11.409 -4.113 68 3HG2 THR 8 3HG2 THR 8 -6.750 -13.015 -3.420 69 H TYR 9 H TYR 9 -2.411 -13.246 -4.894 70 HA TYR 9 HA TYR 9 -1.724 -12.842 -7.619 71 1HB TYR 9 2HB TYR 9 -0.533 -11.616 -5.935 72 2HB TYR 9 1HB TYR 9 -0.047 -13.096 -5.117 73 HD1 TYR 9 1HD TYR 9 2.071 -13.933 -5.501 74 HD2 TYR 9 2HD TYR 9 0.316 -11.384 -8.421 75 HE1 TYR 9 1HE TYR 9 4.173 -13.963 -6.779 76 HE2 TYR 9 2HE TYR 9 2.413 -11.406 -9.707 77 HH TYR 9 HH TYR 9 4.934 -13.611 -9.075 78 H LEU 10 H LEU 10 -1.144 -15.512 -5.359 79 HA LEU 10 HA LEU 10 0.487 -16.931 -7.264 80 1HB LEU 10 2HB LEU 10 -0.659 -17.837 -4.626 81 2HB LEU 10 1HB LEU 10 0.515 -18.719 -5.577 82 HG LEU 10 HG LEU 10 0.995 -16.009 -4.330 83 1HD1 LEU 10 1HD1 LEU 10 0.753 -17.779 -2.656 84 2HD1 LEU 10 2HD1 LEU 10 2.417 -17.205 -2.756 85 3HD1 LEU 10 3HD1 LEU 10 1.968 -18.739 -3.500 86 1HD2 LEU 10 1HD2 LEU 10 2.318 -16.338 -6.337 87 2HD2 LEU 10 2HD2 LEU 10 2.837 -17.923 -5.763 88 3HD2 LEU 10 3HD2 LEU 10 3.350 -16.465 -4.913 89 H GLN 11 H GLN 11 -2.855 -16.983 -6.221 90 HA GLN 11 HA GLN 11 -4.677 -18.193 -6.816 91 1HB GLN 11 2HB GLN 11 -2.930 -18.964 -9.158 92 2HB GLN 11 1HB GLN 11 -4.592 -19.507 -8.981 93 1HG GLN 11 2HG GLN 11 -3.701 -16.639 -9.171 94 2HG GLN 11 1HG GLN 11 -4.399 -17.590 -10.482 95 1HE2 GLN 11 1HE2 GLN 11 -5.015 -15.851 -7.560 96 2HE2 GLN 11 2HE2 GLN 11 -6.742 -15.887 -7.658 97 H ARG 12 H ARG 12 -2.225 -19.220 -5.365 98 HA ARG 12 HA ARG 12 -2.852 -22.093 -5.433 99 1HB ARG 12 2HB ARG 12 -0.560 -21.435 -6.283 100 2HB ARG 12 1HB ARG 12 -0.219 -20.806 -4.680 101 1HG ARG 12 2HG ARG 12 0.769 -22.981 -4.935 102 2HG ARG 12 1HG ARG 12 -0.528 -23.051 -3.742 103 1HD ARG 12 2HD ARG 12 -0.597 -24.984 -5.231 104 2HD ARG 12 1HD ARG 12 -2.031 -23.979 -5.420 105 HE ARG 12 HE ARG 12 0.208 -23.657 -7.289 106 1HH1 ARG 12 1HH1 ARG 12 -3.093 -24.644 -6.659 107 2HH1 ARG 12 2HH1 ARG 12 -3.533 -24.694 -8.338 108 1HH2 ARG 12 1HH2 ARG 12 -0.365 -23.734 -9.503 109 2HH2 ARG 12 2HH2 ARG 12 -1.979 -24.187 -9.952 110 H ASP 13 H ASP 13 -2.704 -23.173 -3.365 111 HA ASP 13 HA ASP 13 -3.679 -21.691 -1.166 112 1HB ASP 13 2HB ASP 13 -3.361 -23.749 0.130 113 2HB ASP 13 1HB ASP 13 -4.129 -24.095 -1.413 114 H ALA 14 H ALA 14 -2.677 -20.680 0.427 115 HA ALA 14 HA ALA 14 0.179 -21.099 0.889 116 1HB ALA 14 1HB ALA 14 0.621 -18.699 0.879 117 2HB ALA 14 2HB ALA 14 -1.052 -18.381 0.419 118 3HB ALA 14 3HB ALA 14 0.022 -19.229 -0.695 119 H GLU 15 H GLU 15 0.778 -19.622 2.896 120 HA GLU 15 HA GLU 15 -1.237 -20.289 4.902 121 1HB GLU 15 2HB GLU 15 0.527 -19.969 6.547 122 2HB GLU 15 1HB GLU 15 1.088 -21.040 5.273 123 1HG GLU 15 2HG GLU 15 2.379 -19.287 4.281 124 2HG GLU 15 1HG GLU 15 1.713 -18.101 5.400 125 H GLY 16 H GLY 16 -2.199 -18.791 6.235 126 1HA GLY 16 2HA GLY 16 -2.384 -16.082 5.535 127 2HA GLY 16 1HA GLY 16 -2.779 -16.745 7.120 128 H GLN 17 H GLN 17 -1.160 -14.331 5.975 129 HA GLN 17 HA GLN 17 1.551 -14.743 6.519 130 1HB GLN 17 2HB GLN 17 -0.048 -12.192 6.493 131 2HB GLN 17 1HB GLN 17 1.701 -12.252 6.619 132 1HG GLN 17 2HG GLN 17 1.732 -13.464 4.444 133 2HG GLN 17 1HG GLN 17 0.001 -13.149 4.317 134 1HE2 GLN 17 1HE2 GLN 17 2.281 -10.912 5.745 135 2HE2 GLN 17 2HE2 GLN 17 2.164 -9.714 4.506 136 H ASP 18 H ASP 18 -0.041 -12.217 8.345 137 HA ASP 18 HA ASP 18 0.954 -13.351 10.837 138 1HB ASP 18 2HB ASP 18 1.992 -10.830 9.556 139 2HB ASP 18 1HB ASP 18 2.044 -11.048 11.300 140 H PHE 19 H PHE 19 0.708 -11.309 12.502 141 HA PHE 19 HA PHE 19 -2.158 -10.716 12.391 142 1HB PHE 19 2HB PHE 19 -0.238 -10.682 14.732 143 2HB PHE 19 1HB PHE 19 -1.975 -10.410 14.827 144 HD1 PHE 19 1HD PHE 19 0.628 -12.834 14.920 145 HD2 PHE 19 2HD PHE 19 -3.502 -12.306 14.022 146 HE1 PHE 19 1HE PHE 19 0.264 -15.257 15.162 147 HE2 PHE 19 2HE PHE 19 -3.868 -14.722 14.265 148 HZ PHE 19 HZ PHE 19 -1.985 -16.205 14.835 149 H GLN 20 H GLN 20 -2.570 -8.613 13.840 150 HA GLN 20 HA GLN 20 -1.610 -6.444 12.288 151 1HB GLN 20 2HB GLN 20 -3.299 -6.689 14.752 152 2HB GLN 20 1HB GLN 20 -2.732 -5.109 14.236 153 1HG GLN 20 2HG GLN 20 -5.069 -6.170 13.468 154 2HG GLN 20 1HG GLN 20 -4.163 -5.006 12.510 155 1HE2 GLN 20 1HE2 GLN 20 -3.188 -5.647 10.629 156 2HE2 GLN 20 2HE2 GLN 20 -3.467 -7.193 9.902 157 H LEU 21 H LEU 21 0.570 -6.179 12.404 158 HA LEU 21 HA LEU 21 1.706 -5.610 15.038 159 1HB LEU 21 2HB LEU 21 3.902 -5.830 14.063 160 2HB LEU 21 1HB LEU 21 2.944 -7.246 13.716 161 HG LEU 21 HG LEU 21 4.267 -6.829 11.813 162 1HD1 LEU 21 1HD1 LEU 21 2.718 -6.461 10.025 163 2HD1 LEU 21 2HD1 LEU 21 1.569 -5.708 11.127 164 3HD1 LEU 21 3HD1 LEU 21 1.955 -7.421 11.293 165 1HD2 LEU 21 1HD2 LEU 21 4.955 -4.566 12.257 166 2HD2 LEU 21 2HD2 LEU 21 3.342 -3.968 11.862 167 3HD2 LEU 21 3HD2 LEU 21 4.341 -4.704 10.609 168 H TYR 22 H TYR 22 0.492 -4.081 12.315 169 HA TYR 22 HA TYR 22 0.848 -1.518 13.421 170 1HB TYR 22 2HB TYR 22 3.132 -1.754 12.509 171 2HB TYR 22 1HB TYR 22 2.462 -2.017 10.905 172 HD1 TYR 22 1HD TYR 22 1.586 -0.171 9.601 173 HD2 TYR 22 2HD TYR 22 3.045 0.460 13.546 174 HE1 TYR 22 1HE TYR 22 1.586 2.256 9.206 175 HE2 TYR 22 2HE TYR 22 3.047 2.891 13.162 176 HH TYR 22 HH TYR 22 1.441 4.359 10.638 177 HA PRO 23 HA PRO 23 -1.576 -1.159 9.280 178 1HB PRO 23 2HB PRO 23 -1.799 -3.881 8.219 179 2HB PRO 23 1HB PRO 23 -1.297 -2.401 7.394 180 1HG PRO 23 2HG PRO 23 0.449 -4.364 7.948 181 2HG PRO 23 1HG PRO 23 0.917 -2.654 8.013 182 1HD PRO 23 2HD PRO 23 0.162 -4.492 10.266 183 2HD PRO 23 1HD PRO 23 1.527 -3.360 10.156 184 H GLY 24 H GLY 24 -3.784 -1.156 9.298 185 1HA GLY 24 2HA GLY 24 -4.972 -2.640 11.493 186 2HA GLY 24 1HA GLY 24 -5.712 -1.322 10.600 187 H GLU 25 H GLU 25 -7.611 -2.156 9.996 188 HA GLU 25 HA GLU 25 -8.050 -4.868 9.407 189 1HB GLU 25 2HB GLU 25 -10.249 -4.108 8.534 190 2HB GLU 25 1HB GLU 25 -9.876 -3.500 10.140 191 1HG GLU 25 2HG GLU 25 -9.248 -1.345 9.187 192 2HG GLU 25 1HG GLU 25 -9.597 -1.959 7.570 193 H LEU 26 H LEU 26 -7.149 -2.170 7.374 194 HA LEU 26 HA LEU 26 -7.754 -3.331 4.888 195 1HB LEU 26 2HB LEU 26 -7.228 -0.949 5.174 196 2HB LEU 26 1HB LEU 26 -5.570 -1.363 5.566 197 HG LEU 26 HG LEU 26 -5.265 -2.272 3.297 198 1HD1 LEU 26 1HD1 LEU 26 -6.980 -1.831 1.584 199 2HD1 LEU 26 2HD1 LEU 26 -8.079 -1.283 2.850 200 3HD1 LEU 26 3HD1 LEU 26 -7.536 -2.961 2.819 201 1HD2 LEU 26 1HD2 LEU 26 -4.666 0.041 3.736 202 2HD2 LEU 26 2HD2 LEU 26 -6.317 0.553 3.384 203 3HD2 LEU 26 3HD2 LEU 26 -5.312 -0.128 2.104 204 H GLY 27 H GLY 27 -4.749 -3.296 6.770 205 1HA GLY 27 2HA GLY 27 -3.283 -4.939 4.983 206 2HA GLY 27 1HA GLY 27 -2.881 -4.628 6.666 207 H LYS 28 H LYS 28 -5.249 -5.617 7.829 208 HA LYS 28 HA LYS 28 -4.696 -8.327 8.145 209 1HB LYS 28 2HB LYS 28 -6.008 -6.824 9.682 210 2HB LYS 28 1HB LYS 28 -7.366 -6.979 8.578 211 1HG LYS 28 2HG LYS 28 -7.517 -9.334 9.010 212 2HG LYS 28 1HG LYS 28 -6.047 -9.282 9.986 213 1HD LYS 28 2HD LYS 28 -7.176 -7.742 11.552 214 2HD LYS 28 1HD LYS 28 -8.650 -7.885 10.595 215 1HE LYS 28 2HE LYS 28 -8.761 -9.349 12.518 216 2HE LYS 28 1HE LYS 28 -8.683 -10.296 11.036 217 1HZ LYS 28 1HZ LYS 28 -6.318 -10.641 11.432 218 2HZ LYS 28 2HZ LYS 28 -7.240 -11.208 12.729 219 3HZ LYS 28 3HZ LYS 28 -6.411 -9.743 12.863 220 H ARG 29 H ARG 29 -7.182 -6.730 6.181 221 HA ARG 29 HA ARG 29 -8.415 -8.985 5.110 222 1HB ARG 29 2HB ARG 29 -9.016 -6.474 4.869 223 2HB ARG 29 1HB ARG 29 -7.917 -6.488 3.499 224 1HG ARG 29 2HG ARG 29 -9.404 -8.570 2.809 225 2HG ARG 29 1HG ARG 29 -10.590 -7.721 3.803 226 1HD ARG 29 2HD ARG 29 -10.972 -6.849 1.683 227 2HD ARG 29 1HD ARG 29 -9.902 -5.646 2.415 228 HE ARG 29 HE ARG 29 -8.684 -7.791 0.840 229 1HH1 ARG 29 1HH1 ARG 29 -9.652 -4.423 1.012 230 2HH1 ARG 29 2HH1 ARG 29 -8.656 -3.941 -0.320 231 1HH2 ARG 29 1HH2 ARG 29 -7.391 -7.200 -0.879 232 2HH2 ARG 29 2HH2 ARG 29 -7.348 -5.540 -1.404 233 H ILE 30 H ILE 30 -5.621 -7.138 3.967 234 HA ILE 30 HA ILE 30 -5.119 -8.629 1.638 235 HB ILE 30 HB ILE 30 -3.170 -7.041 3.322 236 1HG1 ILE 30 2HG1 ILE 30 -4.735 -6.239 0.856 237 2HG1 ILE 30 1HG1 ILE 30 -5.140 -5.767 2.502 238 1HG2 ILE 30 1HG2 ILE 30 -1.998 -8.560 1.828 239 2HG2 ILE 30 2HG2 ILE 30 -1.820 -6.894 1.276 240 3HG2 ILE 30 3HG2 ILE 30 -2.948 -7.979 0.462 241 1HD1 ILE 30 1HD1 ILE 30 -3.047 -4.548 2.684 242 2HD1 ILE 30 2HD1 ILE 30 -3.988 -3.988 1.303 243 3HD1 ILE 30 3HD1 ILE 30 -2.602 -5.049 1.053 244 H TYR 31 H TYR 31 -4.127 -9.118 4.986 245 HA TYR 31 HA TYR 31 -2.202 -11.137 4.447 246 1HB TYR 31 2HB TYR 31 -3.808 -10.601 6.954 247 2HB TYR 31 1HB TYR 31 -2.459 -11.726 6.853 248 HD1 TYR 31 1HD TYR 31 -0.850 -9.846 4.929 249 HD2 TYR 31 2HD TYR 31 -2.762 -9.272 8.683 250 HE1 TYR 31 1HE TYR 31 0.708 -8.024 5.431 251 HE2 TYR 31 2HE TYR 31 -1.211 -7.434 9.197 252 HH TYR 31 HH TYR 31 0.885 -6.083 6.829 253 H ASN 32 H ASN 32 -5.633 -11.131 4.467 254 HA ASN 32 HA ASN 32 -5.784 -14.043 4.568 255 1HB ASN 32 2HB ASN 32 -7.875 -11.900 4.196 256 2HB ASN 32 1HB ASN 32 -8.243 -13.613 4.064 257 1HD2 ASN 32 1HD2 ASN 32 -7.424 -11.010 6.186 258 2HD2 ASN 32 2HD2 ASN 32 -7.759 -11.841 7.663 259 H GLU 33 H GLU 33 -4.824 -11.929 2.271 260 HA GLU 33 HA GLU 33 -5.960 -13.532 0.063 261 1HB GLU 33 2HB GLU 33 -5.351 -10.575 0.175 262 2HB GLU 33 1HB GLU 33 -5.659 -11.437 -1.328 263 1HG GLU 33 2HG GLU 33 -7.878 -11.739 -0.865 264 2HG GLU 33 1HG GLU 33 -7.637 -11.661 0.877 265 H ILE 34 H ILE 34 -3.179 -11.853 1.347 266 HA ILE 34 HA ILE 34 -1.496 -13.054 -0.745 267 HB ILE 34 HB ILE 34 -1.162 -10.497 0.831 268 1HG1 ILE 34 2HG1 ILE 34 -2.653 -10.438 -1.148 269 2HG1 ILE 34 1HG1 ILE 34 -1.230 -9.420 -1.339 270 1HG2 ILE 34 1HG2 ILE 34 0.812 -11.767 -1.057 271 2HG2 ILE 34 2HG2 ILE 34 1.006 -11.591 0.685 272 3HG2 ILE 34 3HG2 ILE 34 0.955 -10.161 -0.344 273 1HD1 ILE 34 1HD1 ILE 34 -0.181 -11.218 -2.674 274 2HD1 ILE 34 2HD1 ILE 34 -1.663 -10.583 -3.391 275 3HD1 ILE 34 3HD1 ILE 34 -1.683 -12.137 -2.556 276 H SER 35 H SER 35 0.421 -14.071 -0.104 277 HA SER 35 HA SER 35 0.622 -14.611 2.769 278 1HB SER 35 2HB SER 35 0.292 -16.564 1.181 279 2HB SER 35 1HB SER 35 1.911 -16.225 0.567 280 HG SER 35 HG SER 35 1.117 -17.091 3.139 281 H LYS 36 H LYS 36 3.005 -15.254 3.288 282 HA LYS 36 HA LYS 36 4.330 -12.830 3.516 283 1HB LYS 36 2HB LYS 36 5.342 -15.644 3.896 284 2HB LYS 36 1HB LYS 36 6.219 -14.205 4.403 285 1HG LYS 36 2HG LYS 36 4.666 -13.687 6.054 286 2HG LYS 36 1HG LYS 36 3.419 -14.707 5.335 287 1HD LYS 36 2HD LYS 36 4.627 -16.697 5.970 288 2HD LYS 36 1HD LYS 36 5.969 -15.728 6.585 289 1HE LYS 36 2HE LYS 36 4.563 -14.814 8.317 290 2HE LYS 36 1HE LYS 36 3.149 -15.628 7.646 291 1HZ LYS 36 1HZ LYS 36 4.138 -17.750 8.162 292 2HZ LYS 36 2HZ LYS 36 4.067 -16.797 9.562 293 3HZ LYS 36 3HZ LYS 36 5.539 -16.997 8.752 294 H ASP 37 H ASP 37 4.812 -15.383 1.136 295 HA ASP 37 HA ASP 37 7.329 -14.482 0.203 296 1HB ASP 37 2HB ASP 37 6.460 -16.756 -0.247 297 2HB ASP 37 1HB ASP 37 5.225 -16.064 -1.294 298 H ALA 38 H ALA 38 4.115 -14.194 -1.302 299 HA ALA 38 HA ALA 38 4.880 -12.428 -3.331 300 1HB ALA 38 1HB ALA 38 2.807 -13.695 -3.421 301 2HB ALA 38 2HB ALA 38 2.481 -11.969 -3.582 302 3HB ALA 38 3HB ALA 38 2.174 -12.784 -2.050 303 H TRP 39 H TRP 39 3.732 -11.864 -0.063 304 HA TRP 39 HA TRP 39 3.378 -9.093 -0.161 305 1HB TRP 39 2HB TRP 39 2.611 -10.508 1.691 306 2HB TRP 39 1HB TRP 39 4.276 -10.843 2.141 307 HD1 TRP 39 HD TRP 39 5.168 -9.402 4.038 308 HE1 TRP 39 1HE TRP 39 4.521 -7.161 5.126 309 HE3 TRP 39 3HE TRP 39 1.409 -8.019 0.857 310 HZ2 TRP 39 2HZ TRP 39 2.664 -5.080 4.686 311 HZ3 TRP 39 3HZ TRP 39 0.249 -5.887 1.263 312 HH2 TRP 39 HH TRP 39 0.864 -4.447 3.138 313 H ALA 40 H ALA 40 6.220 -10.977 0.867 314 HA ALA 40 HA ALA 40 7.884 -8.744 1.322 315 1HB ALA 40 1HB ALA 40 8.684 -11.571 0.651 316 2HB ALA 40 2HB ALA 40 8.306 -10.968 2.264 317 3HB ALA 40 3HB ALA 40 9.709 -10.344 1.396 318 H GLN 41 H GLN 41 7.334 -10.755 -1.532 319 HA GLN 41 HA GLN 41 9.504 -9.717 -3.032 320 1HB GLN 41 2HB GLN 41 6.963 -11.064 -3.953 321 2HB GLN 41 1HB GLN 41 8.318 -10.682 -5.004 322 1HG GLN 41 2HG GLN 41 8.221 -12.649 -2.740 323 2HG GLN 41 1HG GLN 41 8.534 -12.955 -4.447 324 1HE2 GLN 41 1HE2 GLN 41 9.848 -11.919 -1.438 325 2HE2 GLN 41 2HE2 GLN 41 11.503 -11.866 -1.929 326 H TRP 42 H TRP 42 6.080 -8.807 -2.816 327 HA TRP 42 HA TRP 42 6.226 -6.914 -4.915 328 1HB TRP 42 2HB TRP 42 4.084 -7.849 -4.186 329 2HB TRP 42 1HB TRP 42 4.259 -7.048 -2.626 330 HD1 TRP 42 HD TRP 42 2.629 -5.066 -2.568 331 HE1 TRP 42 1HE TRP 42 1.971 -3.176 -4.185 332 HE3 TRP 42 3HE TRP 42 5.373 -6.472 -6.658 333 HZ2 TRP 42 2HZ TRP 42 2.533 -2.382 -6.832 334 HZ3 TRP 42 3HZ TRP 42 5.259 -5.089 -8.687 335 HH2 TRP 42 HH TRP 42 3.866 -3.089 -8.771 336 H GLN 43 H GLN 43 6.608 -6.638 -1.396 337 HA GLN 43 HA GLN 43 6.846 -3.824 -1.352 338 1HB GLN 43 2HB GLN 43 8.152 -5.819 0.511 339 2HB GLN 43 1HB GLN 43 7.950 -4.100 0.819 340 1HG GLN 43 2HG GLN 43 5.474 -4.473 0.665 341 2HG GLN 43 1HG GLN 43 5.817 -6.203 0.644 342 1HE2 GLN 43 1HE2 GLN 43 6.791 -7.147 2.479 343 2HE2 GLN 43 2HE2 GLN 43 6.669 -6.405 4.034 344 H HIS 44 H HIS 44 9.211 -6.411 -1.723 345 HA HIS 44 HA HIS 44 11.557 -4.915 -1.771 346 1HB HIS 44 2HB HIS 44 11.406 -7.410 -1.760 347 2HB HIS 44 1HB HIS 44 10.927 -7.352 -3.453 348 HD1 HIS 44 1HD HIS 44 12.806 -7.768 -4.998 349 HD2 HIS 44 2HD HIS 44 14.092 -6.038 -1.447 350 HE1 HIS 44 1HE HIS 44 15.305 -7.621 -5.189 351 HE2 HIS 44 2HE HIS 44 16.070 -6.752 -2.950 352 H LYS 45 H LYS 45 9.449 -5.868 -4.457 353 HA LYS 45 HA LYS 45 10.854 -4.521 -6.490 354 1HB LYS 45 2HB LYS 45 9.247 -6.291 -6.950 355 2HB LYS 45 1HB LYS 45 7.942 -5.313 -6.296 356 1HG LYS 45 2HG LYS 45 7.862 -5.304 -8.700 357 2HG LYS 45 1HG LYS 45 8.269 -3.692 -8.113 358 1HD LYS 45 2HD LYS 45 10.580 -4.005 -8.677 359 2HD LYS 45 1HD LYS 45 10.303 -5.703 -9.067 360 1HE LYS 45 2HE LYS 45 8.786 -4.988 -10.888 361 2HE LYS 45 1HE LYS 45 9.199 -3.313 -10.531 362 1HZ LYS 45 1HZ LYS 45 10.491 -4.219 -12.376 363 2HZ LYS 45 2HZ LYS 45 11.134 -5.403 -11.356 364 3HZ LYS 45 3HZ LYS 45 11.489 -3.774 -11.084 365 H GLN 46 H GLN 46 7.941 -3.579 -4.680 366 HA GLN 46 HA GLN 46 7.510 -1.145 -5.979 367 1HB GLN 46 2HB GLN 46 5.841 -2.319 -4.583 368 2HB GLN 46 1HB GLN 46 6.769 -1.898 -3.149 369 1HG GLN 46 2HG GLN 46 4.908 -0.405 -3.361 370 2HG GLN 46 1HG GLN 46 6.401 0.485 -3.648 371 1HE2 GLN 46 1HE2 GLN 46 5.379 2.095 -4.795 372 2HE2 GLN 46 2HE2 GLN 46 4.712 1.861 -6.375 373 H THR 47 H THR 47 9.388 -1.869 -3.045 374 HA THR 47 HA THR 47 9.951 0.809 -2.372 375 HB THR 47 HB THR 47 11.650 -1.626 -1.797 376 HG1 THR 47 1HG THR 47 9.698 -2.041 -0.899 377 1HG2 THR 47 1HG2 THR 47 12.823 0.487 -1.383 378 2HG2 THR 47 2HG2 THR 47 12.448 -0.334 0.131 379 3HG2 THR 47 3HG2 THR 47 11.479 1.046 -0.389 380 H MET 48 H MET 48 11.629 -1.489 -4.477 381 HA MET 48 HA MET 48 13.849 0.164 -5.060 382 1HB MET 48 2HB MET 48 13.659 -2.300 -5.568 383 2HB MET 48 1HB MET 48 12.588 -1.878 -6.898 384 1HG MET 48 2HG MET 48 14.794 -2.235 -7.754 385 2HG MET 48 1HG MET 48 14.401 -0.520 -7.880 386 1HE MET 48 1HE MET 48 17.268 -2.345 -4.753 387 2HE MET 48 2HE MET 48 16.484 -3.259 -6.039 388 3HE MET 48 3HE MET 48 15.526 -2.616 -4.705 389 H LEU 49 H LEU 49 10.634 -0.159 -6.442 390 HA LEU 49 HA LEU 49 11.031 1.610 -8.626 391 1HB LEU 49 2HB LEU 49 8.466 0.864 -7.212 392 2HB LEU 49 1HB LEU 49 8.579 1.652 -8.775 393 HG LEU 49 HG LEU 49 9.553 -1.137 -8.144 394 1HD1 LEU 49 1HD1 LEU 49 7.192 -0.188 -9.758 395 2HD1 LEU 49 2HD1 LEU 49 7.120 -0.954 -8.171 396 3HD1 LEU 49 3HD1 LEU 49 7.712 -1.862 -9.562 397 1HD2 LEU 49 1HD2 LEU 49 10.909 -0.044 -9.861 398 2HD2 LEU 49 2HD2 LEU 49 9.447 0.353 -10.764 399 3HD2 LEU 49 3HD2 LEU 49 9.918 -1.332 -10.545 400 H ILE 50 H ILE 50 10.051 2.054 -5.283 401 HA ILE 50 HA ILE 50 9.225 4.738 -5.449 402 HB ILE 50 HB ILE 50 10.471 3.250 -3.130 403 1HG1 ILE 50 2HG1 ILE 50 7.584 3.928 -3.727 404 2HG1 ILE 50 1HG1 ILE 50 8.319 2.351 -3.986 405 1HG2 ILE 50 1HG2 ILE 50 9.024 5.900 -3.126 406 2HG2 ILE 50 2HG2 ILE 50 10.743 5.655 -2.820 407 3HG2 ILE 50 3HG2 ILE 50 9.548 5.009 -1.696 408 1HD1 ILE 50 1HD1 ILE 50 7.939 3.746 -1.351 409 2HD1 ILE 50 2HD1 ILE 50 8.778 2.213 -1.570 410 3HD1 ILE 50 3HD1 ILE 50 7.059 2.337 -1.944 411 H ASN 51 H ASN 51 12.392 3.262 -5.137 412 HA ASN 51 HA ASN 51 13.887 5.595 -4.596 413 1HB ASN 51 2HB ASN 51 14.678 3.023 -5.980 414 2HB ASN 51 1HB ASN 51 15.820 4.273 -5.501 415 1HD2 ASN 51 1HD2 ASN 51 15.639 1.499 -4.682 416 2HD2 ASN 51 2HD2 ASN 51 15.484 1.519 -2.961 417 H GLU 52 H GLU 52 12.816 4.074 -7.566 418 HA GLU 52 HA GLU 52 14.311 5.877 -9.247 419 1HB GLU 52 2HB GLU 52 12.331 3.677 -9.828 420 2HB GLU 52 1HB GLU 52 13.075 4.651 -11.088 421 1HG GLU 52 2HG GLU 52 14.623 3.035 -9.077 422 2HG GLU 52 1HG GLU 52 14.176 2.458 -10.681 423 H LYS 53 H LYS 53 10.932 5.436 -8.290 424 HA LYS 53 HA LYS 53 9.957 7.501 -10.019 425 1HB LYS 53 2HB LYS 53 8.709 6.174 -7.608 426 2HB LYS 53 1HB LYS 53 7.874 7.318 -8.649 427 1HG LYS 53 2HG LYS 53 8.241 5.768 -10.556 428 2HG LYS 53 1HG LYS 53 8.925 4.602 -9.418 429 1HD LYS 53 2HD LYS 53 6.815 4.577 -8.178 430 2HD LYS 53 1HD LYS 53 6.134 5.756 -9.300 431 1HE LYS 53 2HE LYS 53 6.564 4.097 -11.136 432 2HE LYS 53 1HE LYS 53 6.975 2.926 -9.884 433 1HZ LYS 53 1HZ LYS 53 4.679 2.698 -10.574 434 2HZ LYS 53 2HZ LYS 53 4.365 4.307 -10.177 435 3HZ LYS 53 3HZ LYS 53 4.745 3.195 -8.957 436 H LYS 54 H LYS 54 11.340 7.375 -6.856 437 HA LYS 54 HA LYS 54 11.824 8.937 -5.288 438 1HB LYS 54 2HB LYS 54 11.646 10.647 -7.757 439 2HB LYS 54 1HB LYS 54 12.070 11.324 -6.190 440 1HG LYS 54 2HG LYS 54 14.065 10.136 -6.072 441 2HG LYS 54 1HG LYS 54 13.558 8.978 -7.301 442 1HD LYS 54 2HD LYS 54 13.999 11.895 -7.892 443 2HD LYS 54 1HD LYS 54 15.283 10.691 -8.010 444 1HE LYS 54 2HE LYS 54 13.922 9.427 -9.625 445 2HE LYS 54 1HE LYS 54 12.674 10.666 -9.532 446 1HZ LYS 54 1HZ LYS 54 14.270 12.273 -10.387 447 2HZ LYS 54 2HZ LYS 54 14.078 10.981 -11.460 448 3HZ LYS 54 3HZ LYS 54 15.455 11.069 -10.486 449 H LEU 55 H LEU 55 9.203 8.079 -5.441 450 HA LEU 55 HA LEU 55 7.486 10.383 -5.155 451 1HB LEU 55 2HB LEU 55 5.691 8.773 -4.814 452 2HB LEU 55 1HB LEU 55 6.599 8.413 -6.263 453 HG LEU 55 HG LEU 55 7.860 6.731 -4.664 454 1HD1 LEU 55 1HD1 LEU 55 6.688 7.420 -2.626 455 2HD1 LEU 55 2HD1 LEU 55 6.376 5.728 -3.018 456 3HD1 LEU 55 3HD1 LEU 55 5.153 6.952 -3.357 457 1HD2 LEU 55 1HD2 LEU 55 5.112 6.223 -5.787 458 2HD2 LEU 55 2HD2 LEU 55 6.307 4.992 -5.382 459 3HD2 LEU 55 3HD2 LEU 55 6.629 6.138 -6.682 460 H ASN 56 H ASN 56 6.642 11.152 -3.268 461 HA ASN 56 HA ASN 56 7.691 9.933 -0.802 462 1HB ASN 56 2HB ASN 56 7.119 12.846 -1.387 463 2HB ASN 56 1HB ASN 56 7.522 12.219 0.208 464 1HD2 ASN 56 1HD2 ASN 56 8.692 13.053 -2.922 465 2HD2 ASN 56 2HD2 ASN 56 10.373 12.852 -2.583 466 H MET 57 H MET 57 6.326 9.771 0.966 467 HA MET 57 HA MET 57 3.552 9.463 0.287 468 1HB MET 57 2HB MET 57 5.056 9.066 2.877 469 2HB MET 57 1HB MET 57 3.333 8.763 2.699 470 1HG MET 57 2HG MET 57 4.463 6.684 2.516 471 2HG MET 57 1HG MET 57 3.878 7.117 0.912 472 1HE MET 57 1HE MET 57 6.030 4.837 1.327 473 2HE MET 57 2HE MET 57 7.176 5.225 0.044 474 3HE MET 57 3HE MET 57 5.441 5.358 -0.253 475 H MET 58 H MET 58 5.433 12.008 1.354 476 HA MET 58 HA MET 58 3.570 13.476 2.897 477 1HB MET 58 2HB MET 58 5.768 14.449 1.062 478 2HB MET 58 1HB MET 58 4.906 15.453 2.220 479 1HG MET 58 2HG MET 58 5.771 14.073 4.049 480 2HG MET 58 1HG MET 58 6.649 13.090 2.879 481 1HE MET 58 1HE MET 58 9.173 15.729 1.410 482 2HE MET 58 2HE MET 58 7.563 15.357 0.799 483 3HE MET 58 3HE MET 58 8.624 14.056 1.337 484 H ASN 59 H ASN 59 3.965 12.888 -0.492 485 HA ASN 59 HA ASN 59 2.074 14.935 -1.283 486 1HB ASN 59 2HB ASN 59 3.471 12.771 -2.871 487 2HB ASN 59 1HB ASN 59 2.412 13.993 -3.567 488 1HD2 ASN 59 1HD2 ASN 59 3.135 16.077 -3.790 489 2HD2 ASN 59 2HD2 ASN 59 4.794 16.519 -3.580 490 H ALA 60 H ALA 60 -0.041 14.613 -1.141 491 HA ALA 60 HA ALA 60 -1.317 12.250 -0.456 492 1HB ALA 60 1HB ALA 60 -3.388 13.326 -1.174 493 2HB ALA 60 2HB ALA 60 -2.457 14.558 -2.025 494 3HB ALA 60 3HB ALA 60 -2.369 14.444 -0.266 495 H GLU 61 H GLU 61 -0.563 13.569 -3.610 496 HA GLU 61 HA GLU 61 -1.961 11.847 -5.267 497 1HB GLU 61 2HB GLU 61 -0.858 13.781 -6.153 498 2HB GLU 61 1HB GLU 61 0.709 13.190 -5.630 499 1HG GLU 61 2HG GLU 61 0.543 11.346 -7.223 500 2HG GLU 61 1HG GLU 61 -1.018 11.961 -7.763 501 H HIS 62 H HIS 62 1.260 11.403 -3.818 502 HA HIS 62 HA HIS 62 1.675 9.047 -5.431 503 1HB HIS 62 2HB HIS 62 3.411 10.449 -3.412 504 2HB HIS 62 1HB HIS 62 3.882 8.946 -4.195 505 HD1 HIS 62 1HD HIS 62 4.030 9.094 -6.906 506 HD2 HIS 62 2HD HIS 62 3.975 12.694 -4.834 507 HE1 HIS 62 1HE HIS 62 4.843 10.821 -8.538 508 HE2 HIS 62 2HE HIS 62 4.590 13.012 -7.327 509 H ARG 63 H ARG 63 0.901 9.733 -2.059 510 HA ARG 63 HA ARG 63 1.460 7.137 -1.098 511 1HB ARG 63 2HB ARG 63 -0.233 7.737 0.727 512 2HB ARG 63 1HB ARG 63 1.213 8.724 0.592 513 1HG ARG 63 2HG ARG 63 0.048 10.537 -0.264 514 2HG ARG 63 1HG ARG 63 -1.323 9.545 -0.761 515 1HD ARG 63 2HD ARG 63 -1.604 11.037 1.303 516 2HD ARG 63 1HD ARG 63 -2.137 9.361 1.409 517 HE ARG 63 HE ARG 63 0.107 8.964 2.510 518 1HH1 ARG 63 1HH1 ARG 63 -1.478 12.084 2.668 519 2HH1 ARG 63 2HH1 ARG 63 -0.875 12.452 4.248 520 1HH2 ARG 63 1HH2 ARG 63 0.912 9.453 4.588 521 2HH2 ARG 63 2HH2 ARG 63 0.499 10.963 5.335 522 H LYS 64 H LYS 64 -1.554 8.559 -2.358 523 HA LYS 64 HA LYS 64 -3.002 6.111 -2.027 524 1HB LYS 64 2HB LYS 64 -4.792 7.187 -3.285 525 2HB LYS 64 1HB LYS 64 -4.169 8.269 -2.046 526 1HG LYS 64 2HG LYS 64 -2.892 9.479 -3.728 527 2HG LYS 64 1HG LYS 64 -3.484 8.377 -4.978 528 1HD LYS 64 2HD LYS 64 -5.757 9.098 -4.589 529 2HD LYS 64 1HD LYS 64 -5.236 10.118 -3.244 530 1HE LYS 64 2HE LYS 64 -3.858 11.423 -4.834 531 2HE LYS 64 1HE LYS 64 -4.502 10.446 -6.152 532 1HZ LYS 64 1HZ LYS 64 -6.091 12.178 -4.343 533 2HZ LYS 64 2HZ LYS 64 -6.716 11.242 -5.600 534 3HZ LYS 64 3HZ LYS 64 -5.680 12.535 -5.944 535 H LEU 65 H LEU 65 -1.045 7.540 -4.518 536 HA LEU 65 HA LEU 65 -1.799 5.898 -6.680 537 1HB LEU 65 2HB LEU 65 -0.257 8.014 -6.551 538 2HB LEU 65 1HB LEU 65 1.019 6.852 -6.263 539 HG LEU 65 HG LEU 65 0.885 7.589 -8.618 540 1HD1 LEU 65 1HD1 LEU 65 1.833 5.407 -8.112 541 2HD1 LEU 65 2HD1 LEU 65 0.978 5.387 -9.655 542 3HD1 LEU 65 3HD1 LEU 65 0.233 4.675 -8.222 543 1HD2 LEU 65 1HD2 LEU 65 -1.542 7.921 -8.708 544 2HD2 LEU 65 2HD2 LEU 65 -1.775 6.174 -8.643 545 3HD2 LEU 65 3HD2 LEU 65 -0.960 6.904 -10.026 546 H LEU 66 H LEU 66 0.694 5.579 -4.190 547 HA LEU 66 HA LEU 66 1.710 3.082 -4.992 548 1HB LEU 66 2HB LEU 66 2.728 4.721 -3.359 549 2HB LEU 66 1HB LEU 66 1.564 4.164 -2.175 550 HG LEU 66 HG LEU 66 3.443 2.217 -3.483 551 1HD1 LEU 66 1HD1 LEU 66 4.847 4.008 -2.631 552 2HD1 LEU 66 2HD1 LEU 66 4.990 2.575 -1.613 553 3HD1 LEU 66 3HD1 LEU 66 4.015 3.941 -1.076 554 1HD2 LEU 66 1HD2 LEU 66 3.134 0.989 -1.419 555 2HD2 LEU 66 2HD2 LEU 66 1.565 1.364 -2.130 556 3HD2 LEU 66 3HD2 LEU 66 2.156 2.296 -0.754 557 H GLU 67 H GLU 67 -0.917 3.990 -2.808 558 HA GLU 67 HA GLU 67 -1.684 1.457 -1.917 559 1HB GLU 67 2HB GLU 67 -2.625 3.562 -1.027 560 2HB GLU 67 1HB GLU 67 -3.458 3.828 -2.554 561 1HG GLU 67 2HG GLU 67 -4.665 1.664 -2.158 562 2HG GLU 67 1HG GLU 67 -3.967 1.655 -0.540 563 H GLN 68 H GLN 68 -2.737 3.286 -4.767 564 HA GLN 68 HA GLN 68 -4.462 1.371 -5.843 565 1HB GLN 68 2HB GLN 68 -2.762 3.420 -7.275 566 2HB GLN 68 1HB GLN 68 -4.067 2.503 -8.015 567 1HG GLN 68 2HG GLN 68 -5.669 3.521 -6.504 568 2HG GLN 68 1HG GLN 68 -4.372 4.405 -5.701 569 1HE2 GLN 68 1HE2 GLN 68 -4.513 3.878 -9.151 570 2HE2 GLN 68 2HE2 GLN 68 -4.805 5.522 -9.583 571 H GLU 69 H GLU 69 -0.962 1.841 -6.367 572 HA GLU 69 HA GLU 69 -0.617 -0.189 -8.259 573 1HB GLU 69 2HB GLU 69 1.348 0.755 -6.163 574 2HB GLU 69 1HB GLU 69 1.756 -0.218 -7.568 575 1HG GLU 69 2HG GLU 69 0.638 1.771 -8.866 576 2HG GLU 69 1HG GLU 69 1.026 2.659 -7.393 577 H MET 70 H MET 70 -0.393 -0.341 -4.715 578 HA MET 70 HA MET 70 0.284 -3.049 -4.521 579 1HB MET 70 2HB MET 70 -1.050 -1.118 -2.671 580 2HB MET 70 1HB MET 70 -1.011 -2.825 -2.248 581 1HG MET 70 2HG MET 70 1.441 -2.787 -2.441 582 2HG MET 70 1HG MET 70 1.368 -1.059 -2.783 583 1HE MET 70 1HE MET 70 2.837 -1.428 0.903 584 2HE MET 70 2HE MET 70 3.201 -0.930 -0.747 585 3HE MET 70 3HE MET 70 3.012 -2.642 -0.366 586 H VAL 71 H VAL 71 -2.929 -1.522 -4.384 587 HA VAL 71 HA VAL 71 -4.287 -3.994 -4.073 588 HB VAL 71 HB VAL 71 -5.399 -1.332 -4.980 589 1HG1 VAL 71 1HG1 VAL 71 -6.830 -3.708 -3.796 590 2HG1 VAL 71 2HG1 VAL 71 -6.877 -3.242 -5.494 591 3HG1 VAL 71 3HG1 VAL 71 -7.557 -2.172 -4.267 592 1HG2 VAL 71 1HG2 VAL 71 -6.036 -1.027 -2.647 593 2HG2 VAL 71 2HG2 VAL 71 -4.289 -1.219 -2.796 594 3HG2 VAL 71 3HG2 VAL 71 -5.279 -2.564 -2.229 595 H SER 72 H SER 72 -3.071 -2.365 -6.877 596 HA SER 72 HA SER 72 -4.835 -3.805 -8.675 597 1HB SER 72 2HB SER 72 -2.444 -2.063 -9.301 598 2HB SER 72 1HB SER 72 -3.604 -2.686 -10.476 599 HG SER 72 HG SER 72 -3.964 -0.748 -8.464 600 H PHE 73 H PHE 73 -1.779 -4.313 -7.191 601 HA PHE 73 HA PHE 73 -1.106 -6.413 -9.125 602 1HB PHE 73 2HB PHE 73 0.651 -4.768 -8.428 603 2HB PHE 73 1HB PHE 73 0.535 -5.405 -6.791 604 HD1 PHE 73 1HD PHE 73 1.621 -6.096 -10.218 605 HD2 PHE 73 2HD PHE 73 1.487 -7.538 -6.216 606 HE1 PHE 73 1HE PHE 73 3.295 -7.806 -10.783 607 HE2 PHE 73 2HE PHE 73 3.161 -9.253 -6.774 608 HZ PHE 73 HZ PHE 73 4.069 -9.388 -9.060 609 H LEU 74 H LEU 74 -1.470 -5.933 -5.628 610 HA LEU 74 HA LEU 74 -1.198 -8.709 -5.027 611 1HB LEU 74 2HB LEU 74 -2.157 -6.382 -3.368 612 2HB LEU 74 1HB LEU 74 -1.911 -8.000 -2.736 613 HG LEU 74 HG LEU 74 0.241 -6.232 -3.911 614 1HD1 LEU 74 1HD1 LEU 74 -0.530 -5.390 -1.778 615 2HD1 LEU 74 2HD1 LEU 74 1.067 -6.117 -1.599 616 3HD1 LEU 74 3HD1 LEU 74 -0.363 -6.992 -1.058 617 1HD2 LEU 74 1HD2 LEU 74 0.722 -8.589 -4.286 618 2HD2 LEU 74 2HD2 LEU 74 0.429 -8.937 -2.581 619 3HD2 LEU 74 3HD2 LEU 74 1.793 -7.926 -3.054 620 H PHE 75 H PHE 75 -3.898 -6.574 -5.636 621 HA PHE 75 HA PHE 75 -5.750 -8.785 -5.030 622 1HB PHE 75 2HB PHE 75 -6.040 -6.711 -3.667 623 2HB PHE 75 1HB PHE 75 -6.372 -5.825 -5.148 624 HD1 PHE 75 1HD PHE 75 -7.587 -8.593 -3.012 625 HD2 PHE 75 2HD PHE 75 -8.530 -5.753 -6.038 626 HE1 PHE 75 1HE PHE 75 -9.971 -9.151 -2.785 627 HE2 PHE 75 2HE PHE 75 -10.915 -6.309 -5.820 628 HZ PHE 75 HZ PHE 75 -11.641 -8.010 -4.191 629 H GLU 76 H GLU 76 -5.130 -6.101 -7.238 630 HA GLU 76 HA GLU 76 -5.155 -5.920 -9.471 631 1HB GLU 76 2HB GLU 76 -4.838 -7.722 -10.807 632 2HB GLU 76 1HB GLU 76 -4.547 -8.489 -9.258 633 1HG GLU 76 2HG GLU 76 -6.873 -9.309 -9.264 634 2HG GLU 76 1HG GLU 76 -7.091 -8.601 -10.864 635 H GLY 77 H GLY 77 -7.960 -7.225 -7.895 636 1HA GLY 77 2HA GLY 77 -9.677 -6.564 -10.146 637 2HA GLY 77 1HA GLY 77 -10.174 -7.324 -8.644 638 H LYS 78 H LYS 78 -8.519 -4.223 -9.309 639 HA LYS 78 HA LYS 78 -10.801 -2.900 -8.002 640 1HB LYS 78 2HB LYS 78 -9.310 -1.193 -7.143 641 2HB LYS 78 1HB LYS 78 -8.741 -2.772 -6.628 642 1HG LYS 78 2HG LYS 78 -6.749 -2.238 -7.409 643 2HG LYS 78 1HG LYS 78 -7.426 -2.238 -9.036 644 1HD LYS 78 2HD LYS 78 -6.462 -0.129 -8.847 645 2HD LYS 78 1HD LYS 78 -8.164 0.168 -8.509 646 1HE LYS 78 2HE LYS 78 -6.037 -0.211 -6.400 647 2HE LYS 78 1HE LYS 78 -6.596 1.351 -6.981 648 1HZ LYS 78 1HZ LYS 78 -8.819 0.808 -6.168 649 2HZ LYS 78 2HZ LYS 78 -7.685 0.758 -4.916 650 3HZ LYS 78 3HZ LYS 78 -8.263 -0.679 -5.592 651 H ASP 79 H ASP 79 -11.504 -0.917 -8.888 652 HA ASP 79 HA ASP 79 -11.032 -0.876 -11.769 653 1HB ASP 79 2HB ASP 79 -13.161 0.332 -11.906 654 2HB ASP 79 1HB ASP 79 -13.334 -1.170 -11.007 655 H VAL 80 H VAL 80 -10.147 0.909 -9.047 656 HA VAL 80 HA VAL 80 -10.057 3.504 -10.197 657 HB VAL 80 HB VAL 80 -8.313 2.390 -7.987 658 1HG1 VAL 80 1HG1 VAL 80 -7.991 4.726 -7.350 659 2HG1 VAL 80 2HG1 VAL 80 -8.953 5.240 -8.736 660 3HG1 VAL 80 3HG1 VAL 80 -7.407 4.429 -8.989 661 1HG2 VAL 80 1HG2 VAL 80 -10.717 2.220 -7.494 662 2HG2 VAL 80 2HG2 VAL 80 -10.888 3.948 -7.801 663 3HG2 VAL 80 3HG2 VAL 80 -9.902 3.386 -6.450 664 H HIS 81 H HIS 81 -8.957 3.967 -11.961 665 HA HIS 81 HA HIS 81 -6.883 2.230 -12.910 666 1HB HIS 81 2HB HIS 81 -8.066 4.761 -14.056 667 2HB HIS 81 1HB HIS 81 -6.848 3.789 -14.874 668 HD1 HIS 81 1HD HIS 81 -10.429 4.167 -14.554 669 HD2 HIS 81 2HD HIS 81 -7.823 1.031 -15.356 670 HE1 HIS 81 1HE HIS 81 -11.836 2.375 -15.608 671 HE2 HIS 81 2HE HIS 81 -10.254 0.447 -16.003 672 H ILE 82 H ILE 82 -4.739 2.584 -13.057 673 HA ILE 82 HA ILE 82 -3.707 4.834 -11.503 674 HB ILE 82 HB ILE 82 -2.115 2.515 -12.603 675 1HG1 ILE 82 2HG1 ILE 82 -3.392 2.783 -9.875 676 2HG1 ILE 82 1HG1 ILE 82 -3.954 1.709 -11.148 677 1HG2 ILE 82 1HG2 ILE 82 -1.591 4.467 -10.362 678 2HG2 ILE 82 2HG2 ILE 82 -0.801 4.453 -11.939 679 3HG2 ILE 82 3HG2 ILE 82 -0.543 3.122 -10.810 680 1HD1 ILE 82 1HD1 ILE 82 -2.665 0.512 -9.482 681 2HD1 ILE 82 2HD1 ILE 82 -1.284 1.568 -9.776 682 3HD1 ILE 82 3HD1 ILE 82 -1.853 0.487 -11.047 683 H GLU 83 H GLU 83 -3.931 6.507 -13.007 684 HA GLU 83 HA GLU 83 -1.876 6.475 -15.073 685 1HB GLU 83 2HB GLU 83 -3.425 7.573 -16.693 686 2HB GLU 83 1HB GLU 83 -3.828 5.902 -16.330 687 1HG GLU 83 2HG GLU 83 -5.478 6.865 -14.630 688 2HG GLU 83 1HG GLU 83 -5.235 8.400 -15.466 689 H GLY 84 H GLY 84 -4.182 8.410 -13.190 690 1HA GLY 84 2HA GLY 84 -2.732 10.062 -11.841 691 2HA GLY 84 1HA GLY 84 -2.319 10.670 -13.435 692 H TYR 85 H TYR 85 -3.918 11.579 -10.938 693 HA TYR 85 HA TYR 85 -5.635 12.960 -10.454 694 1HB TYR 85 2HB TYR 85 -4.432 14.193 -12.381 695 2HB TYR 85 1HB TYR 85 -5.798 13.687 -13.370 696 HD1 TYR 85 1HD TYR 85 -4.658 15.923 -10.746 697 HD2 TYR 85 2HD TYR 85 -8.073 14.553 -12.878 698 HE1 TYR 85 1HE TYR 85 -5.940 17.845 -9.915 699 HE2 TYR 85 2HE TYR 85 -9.363 16.479 -12.057 700 HH TYR 85 HH TYR 85 -9.308 18.039 -10.129 701 H THR 86 H THR 86 -7.188 11.470 -9.864 702 HA THR 86 HA THR 86 -9.298 11.085 -11.869 703 HB THR 86 HB THR 86 -8.395 8.911 -9.968 704 HG1 THR 86 1HG THR 86 -7.590 9.633 -12.516 705 1HG2 THR 86 1HG2 THR 86 -10.773 8.785 -10.535 706 2HG2 THR 86 2HG2 THR 86 -9.880 7.484 -11.321 707 3HG2 THR 86 3HG2 THR 86 -10.379 8.895 -12.252 708 HA PRO 87 HA PRO 87 -11.558 12.351 -8.158 709 1HB PRO 87 2HB PRO 87 -12.788 14.487 -9.292 710 2HB PRO 87 1HB PRO 87 -11.169 14.576 -8.597 711 1HG PRO 87 2HG PRO 87 -11.974 14.735 -11.393 712 2HG PRO 87 1HG PRO 87 -10.406 15.105 -10.663 713 1HD PRO 87 2HD PRO 87 -11.276 12.676 -12.045 714 2HD PRO 87 1HD PRO 87 -9.633 13.187 -11.600 715 H GLU 88 H GLU 88 -13.055 10.699 -8.098 716 HA GLU 88 HA GLU 88 -14.917 10.379 -10.299 717 1HB GLU 88 2HB GLU 88 -13.878 8.396 -9.206 718 2HB GLU 88 1HB GLU 88 -14.748 8.795 -7.731 719 1HG GLU 88 2HG GLU 88 -16.867 8.485 -8.866 720 2HG GLU 88 1HG GLU 88 -16.028 8.151 -10.380 721 H ASP 89 H ASP 89 -16.808 11.335 -10.372 722 HA ASP 89 HA ASP 89 -18.183 12.000 -7.865 723 1HB ASP 89 2HB ASP 89 -17.245 14.090 -8.586 724 2HB ASP 89 1HB ASP 89 -17.781 13.822 -10.240 725 H LYS 90 H LYS 90 -20.289 11.471 -7.840 726 HA LYS 90 HA LYS 90 -21.551 10.713 -10.381 727 1HB LYS 90 2HB LYS 90 -21.353 9.069 -7.862 728 2HB LYS 90 1HB LYS 90 -22.549 8.743 -9.110 729 1HG LYS 90 2HG LYS 90 -20.924 8.137 -10.676 730 2HG LYS 90 1HG LYS 90 -19.627 8.897 -9.754 731 1HD LYS 90 2HD LYS 90 -19.767 7.186 -8.059 732 2HD LYS 90 1HD LYS 90 -21.178 6.473 -8.847 733 1HE LYS 90 2HE LYS 90 -19.904 5.754 -10.696 734 2HE LYS 90 1HE LYS 90 -18.532 6.761 -10.240 735 1HZ LYS 90 1HZ LYS 90 -18.296 4.335 -9.756 736 2HZ LYS 90 2HZ LYS 90 -19.494 4.504 -8.575 737 3HZ LYS 90 3HZ LYS 90 -18.037 5.354 -8.433 738 H LYS 91 H LYS 91 -21.781 12.970 -8.310 739 HA LYS 91 HA LYS 91 -24.713 12.882 -8.260 740 1HB LYS 91 2HB LYS 91 -22.876 13.549 -5.990 741 2HB LYS 91 1HB LYS 91 -24.444 14.342 -6.101 742 1HG LYS 91 2HG LYS 91 -25.529 12.133 -6.130 743 2HG LYS 91 1HG LYS 91 -23.945 11.376 -5.949 744 1HD LYS 91 2HD LYS 91 -23.640 12.364 -3.794 745 2HD LYS 91 1HD LYS 91 -25.069 13.379 -3.999 746 1HE LYS 91 2HE LYS 91 -25.532 11.486 -2.530 747 2HE LYS 91 1HE LYS 91 -26.491 11.405 -4.005 748 1HZ LYS 91 1HZ LYS 91 -24.019 9.859 -3.453 749 2HZ LYS 91 2HZ LYS 91 -24.911 9.794 -4.886 750 3HZ LYS 91 3HZ LYS 91 -25.595 9.251 -3.439 Start of MODEL 9 1 1H MET 1 1HT MET 1 1.335 -28.483 9.965 2 2H MET 1 2HT MET 1 1.523 -27.421 8.664 3 3H MET 1 3HT MET 1 -0.005 -27.660 9.341 4 HA MET 1 HA MET 1 0.695 -26.664 11.404 5 1HB MET 1 2HB MET 1 2.879 -25.617 11.608 6 2HB MET 1 1HB MET 1 3.083 -27.321 11.230 7 1HG MET 1 2HG MET 1 3.499 -26.732 8.884 8 2HG MET 1 1HG MET 1 3.322 -25.029 9.293 9 1HE MET 1 1HE MET 1 5.866 -26.146 7.774 10 2HE MET 1 2HE MET 1 7.158 -25.309 8.632 11 3HE MET 1 3HE MET 1 5.667 -24.452 8.239 12 H SER 2 H SER 2 0.843 -24.264 11.683 13 HA SER 2 HA SER 2 0.158 -22.171 11.161 14 1HB SER 2 2HB SER 2 2.224 -22.326 9.722 15 2HB SER 2 1HB SER 2 1.178 -22.765 8.374 16 HG SER 2 HG SER 2 1.831 -20.372 9.051 17 H ARG 3 H ARG 3 -0.828 -21.190 8.644 18 HA ARG 3 HA ARG 3 -3.221 -22.824 8.193 19 1HB ARG 3 2HB ARG 3 -4.654 -20.823 8.203 20 2HB ARG 3 1HB ARG 3 -3.927 -21.110 9.774 21 1HG ARG 3 2HG ARG 3 -2.710 -19.179 7.835 22 2HG ARG 3 1HG ARG 3 -4.041 -18.705 8.888 23 1HD ARG 3 2HD ARG 3 -2.692 -19.403 10.840 24 2HD ARG 3 1HD ARG 3 -1.356 -19.772 9.753 25 HE ARG 3 HE ARG 3 -1.263 -17.406 9.206 26 1HH1 ARG 3 1HH1 ARG 3 -3.087 -18.288 12.067 27 2HH1 ARG 3 2HH1 ARG 3 -2.919 -16.732 12.807 28 1HH2 ARG 3 1HH2 ARG 3 -1.038 -15.342 10.182 29 2HH2 ARG 3 2HH2 ARG 3 -1.757 -15.056 11.737 30 H THR 4 H THR 4 -3.846 -22.932 6.113 31 HA THR 4 HA THR 4 -2.195 -21.495 4.184 32 HB THR 4 HB THR 4 -3.219 -23.169 2.552 33 HG1 THR 4 1HG THR 4 -4.220 -24.949 3.423 34 1HG2 THR 4 1HG2 THR 4 -1.514 -24.205 4.822 35 2HG2 THR 4 2HG2 THR 4 -0.930 -23.362 3.387 36 3HG2 THR 4 3HG2 THR 4 -1.676 -24.952 3.233 37 H ILE 5 H ILE 5 -3.009 -20.195 2.635 38 HA ILE 5 HA ILE 5 -5.915 -19.715 2.618 39 HB ILE 5 HB ILE 5 -5.472 -17.303 2.304 40 1HG1 ILE 5 2HG1 ILE 5 -2.619 -17.939 3.086 41 2HG1 ILE 5 1HG1 ILE 5 -3.129 -17.639 1.428 42 1HG2 ILE 5 1HG2 ILE 5 -4.300 -18.456 4.833 43 2HG2 ILE 5 2HG2 ILE 5 -6.007 -18.141 4.524 44 3HG2 ILE 5 3HG2 ILE 5 -4.868 -16.798 4.627 45 1HD1 ILE 5 1HD1 ILE 5 -2.118 -15.672 2.455 46 2HD1 ILE 5 2HD1 ILE 5 -3.363 -15.687 3.705 47 3HD1 ILE 5 3HD1 ILE 5 -3.805 -15.390 2.024 48 H PHE 6 H PHE 6 -6.723 -18.863 0.604 49 HA PHE 6 HA PHE 6 -5.140 -19.615 -1.701 50 1HB PHE 6 2HB PHE 6 -7.944 -18.517 -1.432 51 2HB PHE 6 1HB PHE 6 -7.180 -18.840 -2.983 52 HD1 PHE 6 1HD PHE 6 -8.908 -20.249 -0.152 53 HD2 PHE 6 2HD PHE 6 -6.545 -21.173 -3.566 54 HE1 PHE 6 1HE PHE 6 -9.666 -22.585 -0.037 55 HE2 PHE 6 2HE PHE 6 -7.299 -23.513 -3.456 56 HZ PHE 6 HZ PHE 6 -8.861 -24.220 -1.692 57 H CYS 7 H CYS 7 -3.480 -18.184 -1.868 58 HA CYS 7 HA CYS 7 -3.776 -15.394 -1.444 59 1HB CYS 7 2HB CYS 7 -1.615 -16.571 -1.197 60 2HB CYS 7 1HB CYS 7 -1.590 -16.867 -2.931 61 HG CYS 7 HG CYS 7 -1.938 -13.645 -2.085 62 H THR 8 H THR 8 -4.559 -13.905 -2.742 63 HA THR 8 HA THR 8 -5.841 -14.446 -5.140 64 HB THR 8 HB THR 8 -5.638 -11.879 -5.447 65 HG1 THR 8 1HG THR 8 -4.441 -10.873 -4.014 66 1HG2 THR 8 1HG2 THR 8 -6.875 -13.036 -2.941 67 2HG2 THR 8 2HG2 THR 8 -7.626 -12.979 -4.536 68 3HG2 THR 8 3HG2 THR 8 -7.288 -11.482 -3.668 69 H TYR 9 H TYR 9 -2.609 -13.127 -4.594 70 HA TYR 9 HA TYR 9 -2.095 -12.555 -7.329 71 1HB TYR 9 2HB TYR 9 -0.991 -11.348 -5.499 72 2HB TYR 9 1HB TYR 9 -0.196 -12.832 -4.989 73 HD1 TYR 9 1HD TYR 9 1.964 -13.220 -5.704 74 HD2 TYR 9 2HD TYR 9 -0.526 -10.653 -8.005 75 HE1 TYR 9 1HE TYR 9 3.862 -12.712 -7.176 76 HE2 TYR 9 2HE TYR 9 1.369 -10.139 -9.486 77 HH TYR 9 HH TYR 9 4.311 -11.909 -9.386 78 H LEU 10 H LEU 10 -1.581 -15.364 -5.301 79 HA LEU 10 HA LEU 10 0.173 -16.570 -7.298 80 1HB LEU 10 2HB LEU 10 -0.662 -17.583 -4.580 81 2HB LEU 10 1HB LEU 10 0.499 -18.358 -5.641 82 HG LEU 10 HG LEU 10 0.838 -15.628 -4.380 83 1HD1 LEU 10 1HD1 LEU 10 2.156 -18.273 -3.764 84 2HD1 LEU 10 2HD1 LEU 10 0.984 -17.434 -2.746 85 3HD1 LEU 10 3HD1 LEU 10 2.569 -16.719 -3.040 86 1HD2 LEU 10 1HD2 LEU 10 1.949 -15.789 -6.542 87 2HD2 LEU 10 2HD2 LEU 10 2.723 -17.293 -6.048 88 3HD2 LEU 10 3HD2 LEU 10 3.133 -15.782 -5.236 89 H GLN 11 H GLN 11 -3.060 -16.780 -6.085 90 HA GLN 11 HA GLN 11 -4.908 -17.879 -6.785 91 1HB GLN 11 2HB GLN 11 -3.130 -18.479 -9.139 92 2HB GLN 11 1HB GLN 11 -4.780 -19.076 -9.045 93 1HG GLN 11 2HG GLN 11 -4.000 -16.174 -8.915 94 2HG GLN 11 1HG GLN 11 -4.537 -17.013 -10.369 95 1HE2 GLN 11 1HE2 GLN 11 -5.480 -15.645 -7.339 96 2HE2 GLN 11 2HE2 GLN 11 -7.189 -15.781 -7.573 97 H ARG 12 H ARG 12 -2.592 -19.232 -5.288 98 HA ARG 12 HA ARG 12 -3.761 -21.912 -5.403 99 1HB ARG 12 2HB ARG 12 -0.775 -21.416 -5.372 100 2HB ARG 12 1HB ARG 12 -1.559 -22.983 -5.255 101 1HG ARG 12 2HG ARG 12 -2.592 -22.380 -7.543 102 2HG ARG 12 1HG ARG 12 -1.308 -21.172 -7.616 103 1HD ARG 12 2HD ARG 12 -0.515 -23.147 -8.704 104 2HD ARG 12 1HD ARG 12 0.333 -23.000 -7.164 105 HE ARG 12 HE ARG 12 -2.028 -24.623 -6.999 106 1HH1 ARG 12 1HH1 ARG 12 1.381 -24.625 -7.797 107 2HH1 ARG 12 2HH1 ARG 12 1.563 -26.331 -7.552 108 1HH2 ARG 12 1HH2 ARG 12 -1.795 -26.862 -6.686 109 2HH2 ARG 12 2HH2 ARG 12 -0.245 -27.609 -6.923 110 H ASP 13 H ASP 13 -2.599 -23.251 -3.524 111 HA ASP 13 HA ASP 13 -3.312 -21.992 -1.093 112 1HB ASP 13 2HB ASP 13 -1.793 -24.549 -1.638 113 2HB ASP 13 1HB ASP 13 -2.274 -24.022 -0.032 114 H ALA 14 H ALA 14 -2.197 -20.493 -0.105 115 HA ALA 14 HA ALA 14 0.737 -20.764 0.035 116 1HB ALA 14 1HB ALA 14 0.906 -18.338 0.131 117 2HB ALA 14 2HB ALA 14 -0.846 -18.194 0.007 118 3HB ALA 14 3HB ALA 14 0.084 -18.834 -1.349 119 H GLU 15 H GLU 15 1.444 -19.227 2.065 120 HA GLU 15 HA GLU 15 -0.163 -20.294 4.262 121 1HB GLU 15 2HB GLU 15 1.742 -19.836 5.700 122 2HB GLU 15 1HB GLU 15 2.237 -20.787 4.309 123 1HG GLU 15 2HG GLU 15 3.102 -18.748 3.251 124 2HG GLU 15 1HG GLU 15 2.660 -17.837 4.696 125 H GLY 16 H GLY 16 -1.126 -19.043 5.784 126 1HA GLY 16 2HA GLY 16 -1.930 -16.439 5.058 127 2HA GLY 16 1HA GLY 16 -2.177 -17.188 6.630 128 H GLN 17 H GLN 17 -1.311 -14.441 5.725 129 HA GLN 17 HA GLN 17 1.399 -14.127 6.494 130 1HB GLN 17 2HB GLN 17 -0.734 -12.465 5.513 131 2HB GLN 17 1HB GLN 17 0.073 -11.670 6.857 132 1HG GLN 17 2HG GLN 17 1.540 -12.813 4.499 133 2HG GLN 17 1HG GLN 17 0.970 -11.150 4.572 134 1HE2 GLN 17 1HE2 GLN 17 2.980 -10.256 4.495 135 2HE2 GLN 17 2HE2 GLN 17 4.115 -10.348 5.796 136 H ASP 18 H ASP 18 1.394 -11.966 8.183 137 HA ASP 18 HA ASP 18 1.326 -13.363 10.676 138 1HB ASP 18 2HB ASP 18 2.939 -11.460 9.682 139 2HB ASP 18 1HB ASP 18 1.843 -10.439 10.604 140 H PHE 19 H PHE 19 0.753 -11.454 12.522 141 HA PHE 19 HA PHE 19 -2.161 -11.315 12.306 142 1HB PHE 19 2HB PHE 19 -0.311 -11.015 14.679 143 2HB PHE 19 1HB PHE 19 -2.064 -10.894 14.755 144 HD1 PHE 19 1HD PHE 19 0.783 -13.126 14.526 145 HD2 PHE 19 2HD PHE 19 -3.462 -12.872 14.349 146 HE1 PHE 19 1HE PHE 19 0.628 -15.564 14.820 147 HE2 PHE 19 2HE PHE 19 -3.625 -15.309 14.644 148 HZ PHE 19 HZ PHE 19 -1.578 -16.659 14.877 149 H GLN 20 H GLN 20 -2.905 -9.314 13.873 150 HA GLN 20 HA GLN 20 -2.222 -7.042 12.250 151 1HB GLN 20 2HB GLN 20 -4.094 -7.236 14.614 152 2HB GLN 20 1HB GLN 20 -3.936 -5.847 13.549 153 1HG GLN 20 2HG GLN 20 -5.102 -8.538 12.970 154 2HG GLN 20 1HG GLN 20 -5.830 -6.944 12.770 155 1HE2 GLN 20 1HE2 GLN 20 -5.130 -5.640 11.013 156 2HE2 GLN 20 2HE2 GLN 20 -4.430 -6.362 9.609 157 H LEU 21 H LEU 21 -0.082 -6.679 12.734 158 HA LEU 21 HA LEU 21 0.668 -5.991 15.433 159 1HB LEU 21 2HB LEU 21 2.836 -5.288 14.045 160 2HB LEU 21 1HB LEU 21 2.510 -6.931 14.550 161 HG LEU 21 HG LEU 21 1.550 -7.380 12.285 162 1HD1 LEU 21 1HD1 LEU 21 0.977 -5.095 11.657 163 2HD1 LEU 21 2HD1 LEU 21 2.052 -5.834 10.469 164 3HD1 LEU 21 3HD1 LEU 21 2.687 -4.666 11.628 165 1HD2 LEU 21 1HD2 LEU 21 4.405 -6.419 12.377 166 2HD2 LEU 21 2HD2 LEU 21 3.720 -7.490 11.154 167 3HD2 LEU 21 3HD2 LEU 21 3.827 -8.023 12.830 168 H TYR 22 H TYR 22 -0.572 -4.361 12.708 169 HA TYR 22 HA TYR 22 -0.450 -1.864 14.122 170 1HB TYR 22 2HB TYR 22 1.709 -1.783 12.995 171 2HB TYR 22 1HB TYR 22 0.938 -2.084 11.443 172 HD1 TYR 22 1HD TYR 22 1.213 0.371 14.204 173 HD2 TYR 22 2HD TYR 22 0.016 -0.315 10.181 174 HE1 TYR 22 1HE TYR 22 0.910 2.793 13.887 175 HE2 TYR 22 2HE TYR 22 -0.283 2.103 9.849 176 HH TYR 22 HH TYR 22 0.870 4.423 12.042 177 HA PRO 23 HA PRO 23 -3.276 -1.247 10.288 178 1HB PRO 23 2HB PRO 23 -3.509 -3.841 8.962 179 2HB PRO 23 1HB PRO 23 -3.087 -2.270 8.274 180 1HG PRO 23 2HG PRO 23 -1.281 -4.248 8.501 181 2HG PRO 23 1HG PRO 23 -0.835 -2.543 8.704 182 1HD PRO 23 2HD PRO 23 -1.398 -4.611 10.808 183 2HD PRO 23 1HD PRO 23 -0.063 -3.443 10.716 184 H GLY 24 H GLY 24 -5.561 -1.694 9.939 185 1HA GLY 24 2HA GLY 24 -6.622 -3.370 12.107 186 2HA GLY 24 1HA GLY 24 -7.465 -2.029 11.342 187 H GLU 25 H GLU 25 -9.218 -2.840 10.431 188 HA GLU 25 HA GLU 25 -9.597 -5.507 9.680 189 1HB GLU 25 2HB GLU 25 -11.099 -3.004 8.910 190 2HB GLU 25 1HB GLU 25 -11.631 -4.619 8.469 191 1HG GLU 25 2HG GLU 25 -12.835 -3.825 10.407 192 2HG GLU 25 1HG GLU 25 -11.823 -5.202 10.836 193 H LEU 26 H LEU 26 -8.854 -2.666 7.712 194 HA LEU 26 HA LEU 26 -9.084 -3.931 5.211 195 1HB LEU 26 2HB LEU 26 -9.107 -1.498 5.492 196 2HB LEU 26 1HB LEU 26 -7.433 -1.535 6.012 197 HG LEU 26 HG LEU 26 -6.768 -2.341 3.776 198 1HD1 LEU 26 1HD1 LEU 26 -8.400 -2.243 1.940 199 2HD1 LEU 26 2HD1 LEU 26 -9.682 -1.937 3.111 200 3HD1 LEU 26 3HD1 LEU 26 -8.815 -3.471 3.135 201 1HD2 LEU 26 1HD2 LEU 26 -6.718 0.043 4.281 202 2HD2 LEU 26 2HD2 LEU 26 -8.397 0.199 3.764 203 3HD2 LEU 26 3HD2 LEU 26 -7.151 -0.235 2.594 204 H GLY 27 H GLY 27 -6.265 -3.340 7.287 205 1HA GLY 27 2HA GLY 27 -4.375 -4.493 5.510 206 2HA GLY 27 1HA GLY 27 -4.134 -4.207 7.225 207 H LYS 28 H LYS 28 -6.376 -5.790 8.084 208 HA LYS 28 HA LYS 28 -5.198 -8.333 8.275 209 1HB LYS 28 2HB LYS 28 -6.834 -7.446 9.905 210 2HB LYS 28 1HB LYS 28 -8.093 -7.553 8.683 211 1HG LYS 28 2HG LYS 28 -7.839 -9.973 8.609 212 2HG LYS 28 1HG LYS 28 -6.546 -9.880 9.803 213 1HD LYS 28 2HD LYS 28 -8.656 -10.518 10.852 214 2HD LYS 28 1HD LYS 28 -8.111 -8.942 11.432 215 1HE LYS 28 2HE LYS 28 -9.658 -7.833 9.906 216 2HE LYS 28 1HE LYS 28 -10.183 -9.397 9.285 217 1HZ LYS 28 1HZ LYS 28 -10.504 -8.453 12.081 218 2HZ LYS 28 2HZ LYS 28 -11.024 -9.945 11.478 219 3HZ LYS 28 3HZ LYS 28 -11.731 -8.518 10.917 220 H ARG 29 H ARG 29 -7.801 -7.063 6.236 221 HA ARG 29 HA ARG 29 -8.552 -9.399 4.933 222 1HB ARG 29 2HB ARG 29 -9.503 -6.983 4.728 223 2HB ARG 29 1HB ARG 29 -8.307 -6.792 3.453 224 1HG ARG 29 2HG ARG 29 -9.327 -8.926 2.453 225 2HG ARG 29 1HG ARG 29 -10.687 -8.605 3.534 226 1HD ARG 29 2HD ARG 29 -11.392 -7.472 1.684 227 2HD ARG 29 1HD ARG 29 -10.482 -6.189 2.482 228 HE ARG 29 HE ARG 29 -8.944 -7.793 0.627 229 1HH1 ARG 29 1HH1 ARG 29 -10.956 -4.931 0.998 230 2HH1 ARG 29 2HH1 ARG 29 -10.351 -4.178 -0.442 231 1HH2 ARG 29 1HH2 ARG 29 -8.177 -6.807 -1.249 232 2HH2 ARG 29 2HH2 ARG 29 -8.768 -5.243 -1.719 233 H ILE 30 H ILE 30 -5.979 -7.094 4.140 234 HA ILE 30 HA ILE 30 -5.044 -8.350 1.813 235 HB ILE 30 HB ILE 30 -3.359 -6.796 3.785 236 1HG1 ILE 30 2HG1 ILE 30 -4.995 -5.760 1.456 237 2HG1 ILE 30 1HG1 ILE 30 -5.418 -5.563 3.150 238 1HG2 ILE 30 1HG2 ILE 30 -3.065 -7.254 0.814 239 2HG2 ILE 30 2HG2 ILE 30 -2.069 -7.970 2.082 240 3HG2 ILE 30 3HG2 ILE 30 -2.025 -6.229 1.802 241 1HD1 ILE 30 1HD1 ILE 30 -3.399 -4.238 3.496 242 2HD1 ILE 30 2HD1 ILE 30 -4.431 -3.545 2.246 243 3HD1 ILE 30 3HD1 ILE 30 -2.980 -4.438 1.795 244 H TYR 31 H TYR 31 -4.231 -8.854 5.218 245 HA TYR 31 HA TYR 31 -2.146 -10.734 4.652 246 1HB TYR 31 2HB TYR 31 -3.628 -10.128 7.217 247 2HB TYR 31 1HB TYR 31 -2.246 -11.213 7.102 248 HD1 TYR 31 1HD TYR 31 -2.666 -8.502 8.692 249 HD2 TYR 31 2HD TYR 31 -0.671 -9.547 5.080 250 HE1 TYR 31 1HE TYR 31 -1.147 -6.584 8.975 251 HE2 TYR 31 2HE TYR 31 0.845 -7.640 5.354 252 HH TYR 31 HH TYR 31 0.831 -5.428 6.508 253 H ASN 32 H ASN 32 -5.487 -10.940 4.522 254 HA ASN 32 HA ASN 32 -5.550 -13.818 5.052 255 1HB ASN 32 2HB ASN 32 -7.684 -11.763 4.505 256 2HB ASN 32 1HB ASN 32 -8.036 -13.479 4.365 257 1HD2 ASN 32 1HD2 ASN 32 -5.900 -11.965 6.718 258 2HD2 ASN 32 2HD2 ASN 32 -6.850 -12.374 8.102 259 H GLU 33 H GLU 33 -5.351 -11.592 2.432 260 HA GLU 33 HA GLU 33 -6.071 -13.687 0.500 261 1HB GLU 33 2HB GLU 33 -5.784 -10.711 0.081 262 2HB GLU 33 1HB GLU 33 -6.364 -11.867 -1.106 263 1HG GLU 33 2HG GLU 33 -8.311 -12.329 0.280 264 2HG GLU 33 1HG GLU 33 -7.712 -11.212 1.502 265 H ILE 34 H ILE 34 -3.441 -11.751 1.649 266 HA ILE 34 HA ILE 34 -1.800 -12.626 -0.627 267 HB ILE 34 HB ILE 34 -1.651 -10.142 1.064 268 1HG1 ILE 34 2HG1 ILE 34 -3.135 -10.092 -0.881 269 2HG1 ILE 34 1HG1 ILE 34 -1.754 -9.026 -1.122 270 1HG2 ILE 34 1HG2 ILE 34 0.614 -11.018 0.889 271 2HG2 ILE 34 2HG2 ILE 34 0.424 -9.552 -0.074 272 3HG2 ILE 34 3HG2 ILE 34 0.443 -11.129 -0.861 273 1HD1 ILE 34 1HD1 ILE 34 -2.162 -11.758 -2.316 274 2HD1 ILE 34 2HD1 ILE 34 -0.683 -10.813 -2.470 275 3HD1 ILE 34 3HD1 ILE 34 -2.191 -10.210 -3.157 276 H SER 35 H SER 35 -0.180 -13.933 -0.274 277 HA SER 35 HA SER 35 0.483 -14.834 2.369 278 1HB SER 35 2HB SER 35 0.447 -16.374 0.426 279 2HB SER 35 1HB SER 35 1.773 -15.467 -0.302 280 HG SER 35 HG SER 35 2.955 -16.879 0.743 281 H LYS 36 H LYS 36 2.798 -14.995 3.001 282 HA LYS 36 HA LYS 36 3.988 -12.471 3.266 283 1HB LYS 36 2HB LYS 36 5.367 -15.149 3.527 284 2HB LYS 36 1HB LYS 36 5.831 -13.639 4.299 285 1HG LYS 36 2HG LYS 36 3.846 -13.679 5.670 286 2HG LYS 36 1HG LYS 36 3.259 -15.113 4.827 287 1HD LYS 36 2HD LYS 36 5.272 -16.332 5.616 288 2HD LYS 36 1HD LYS 36 5.715 -14.904 6.554 289 1HE LYS 36 2HE LYS 36 3.776 -15.093 7.915 290 2HE LYS 36 1HE LYS 36 3.077 -16.321 6.860 291 1HZ LYS 36 1HZ LYS 36 4.049 -17.246 8.903 292 2HZ LYS 36 2HZ LYS 36 5.572 -16.679 8.429 293 3HZ LYS 36 3HZ LYS 36 4.782 -17.856 7.500 294 H ASP 37 H ASP 37 4.390 -15.045 0.952 295 HA ASP 37 HA ASP 37 6.782 -14.307 -0.283 296 1HB ASP 37 2HB ASP 37 4.354 -15.517 -1.630 297 2HB ASP 37 1HB ASP 37 6.016 -15.597 -2.200 298 H ALA 38 H ALA 38 3.485 -13.625 -1.414 299 HA ALA 38 HA ALA 38 4.269 -11.847 -3.454 300 1HB ALA 38 1HB ALA 38 1.607 -12.139 -2.063 301 2HB ALA 38 2HB ALA 38 2.134 -13.005 -3.503 302 3HB ALA 38 3HB ALA 38 1.881 -11.263 -3.568 303 H TRP 39 H TRP 39 3.339 -11.369 -0.095 304 HA TRP 39 HA TRP 39 3.059 -8.572 -0.166 305 1HB TRP 39 2HB TRP 39 2.241 -10.042 1.662 306 2HB TRP 39 1HB TRP 39 3.905 -10.316 2.156 307 HD1 TRP 39 HD TRP 39 4.665 -8.823 4.080 308 HE1 TRP 39 1HE TRP 39 3.964 -6.544 5.045 309 HE3 TRP 39 3HE TRP 39 1.070 -7.573 0.669 310 HZ2 TRP 39 2HZ TRP 39 2.137 -4.487 4.433 311 HZ3 TRP 39 3HZ TRP 39 -0.105 -5.431 0.931 312 HH2 TRP 39 HH TRP 39 0.417 -3.920 2.777 313 H ALA 40 H ALA 40 5.844 -10.643 0.614 314 HA ALA 40 HA ALA 40 7.596 -8.457 1.151 315 1HB ALA 40 1HB ALA 40 9.377 -10.126 1.129 316 2HB ALA 40 2HB ALA 40 8.267 -11.314 0.443 317 3HB ALA 40 3HB ALA 40 7.998 -10.689 2.071 318 H GLN 41 H GLN 41 6.911 -10.441 -1.675 319 HA GLN 41 HA GLN 41 9.020 -9.535 -3.295 320 1HB GLN 41 2HB GLN 41 7.504 -11.554 -3.648 321 2HB GLN 41 1HB GLN 41 6.320 -10.433 -4.296 322 1HG GLN 41 2HG GLN 41 9.090 -10.565 -5.412 323 2HG GLN 41 1HG GLN 41 7.846 -11.702 -5.924 324 1HE2 GLN 41 1HE2 GLN 41 5.695 -9.785 -5.745 325 2HE2 GLN 41 2HE2 GLN 41 5.882 -8.700 -7.073 326 H TRP 42 H TRP 42 5.672 -8.373 -2.940 327 HA TRP 42 HA TRP 42 5.852 -6.416 -4.967 328 1HB TRP 42 2HB TRP 42 3.683 -7.141 -4.214 329 2HB TRP 42 1HB TRP 42 4.019 -6.606 -2.572 330 HD1 TRP 42 HD TRP 42 2.432 -4.646 -2.143 331 HE1 TRP 42 1HE TRP 42 1.809 -2.471 -3.364 332 HE3 TRP 42 3HE TRP 42 5.052 -5.355 -6.483 333 HZ2 TRP 42 2HZ TRP 42 2.349 -1.217 -5.832 334 HZ3 TRP 42 3HZ TRP 42 4.945 -3.619 -8.220 335 HH2 TRP 42 HH TRP 42 3.618 -1.593 -7.899 336 H GLN 43 H GLN 43 6.405 -6.237 -1.459 337 HA GLN 43 HA GLN 43 6.897 -3.458 -1.374 338 1HB GLN 43 2HB GLN 43 7.937 -5.662 0.407 339 2HB GLN 43 1HB GLN 43 8.103 -3.946 0.751 340 1HG GLN 43 2HG GLN 43 5.681 -3.718 0.836 341 2HG GLN 43 1HG GLN 43 5.505 -5.432 0.455 342 1HE2 GLN 43 1HE2 GLN 43 6.102 -6.959 1.967 343 2HE2 GLN 43 2HE2 GLN 43 6.243 -6.582 3.649 344 H HIS 44 H HIS 44 9.047 -6.225 -1.867 345 HA HIS 44 HA HIS 44 11.476 -4.820 -1.951 346 1HB HIS 44 2HB HIS 44 11.317 -7.282 -1.813 347 2HB HIS 44 1HB HIS 44 10.693 -7.333 -3.457 348 HD1 HIS 44 1HD HIS 44 13.804 -7.354 -1.532 349 HD2 HIS 44 2HD HIS 44 12.670 -6.566 -5.454 350 HE1 HIS 44 1HE HIS 44 15.918 -7.476 -2.885 351 HE2 HIS 44 2HE HIS 44 15.181 -7.155 -5.271 352 H LYS 45 H LYS 45 9.193 -5.670 -4.526 353 HA LYS 45 HA LYS 45 10.656 -4.515 -6.643 354 1HB LYS 45 2HB LYS 45 8.874 -6.136 -7.034 355 2HB LYS 45 1HB LYS 45 7.687 -5.026 -6.369 356 1HG LYS 45 2HG LYS 45 7.516 -4.994 -8.751 357 2HG LYS 45 1HG LYS 45 8.189 -3.454 -8.218 358 1HD LYS 45 2HD LYS 45 9.591 -3.927 -9.969 359 2HD LYS 45 1HD LYS 45 10.479 -4.680 -8.648 360 1HE LYS 45 2HE LYS 45 8.601 -6.106 -10.529 361 2HE LYS 45 1HE LYS 45 10.356 -6.115 -10.644 362 1HZ LYS 45 1HZ LYS 45 10.422 -7.176 -8.446 363 2HZ LYS 45 2HZ LYS 45 9.597 -8.108 -9.587 364 3HZ LYS 45 3HZ LYS 45 8.732 -7.241 -8.430 365 H GLN 46 H GLN 46 7.992 -3.271 -4.652 366 HA GLN 46 HA GLN 46 7.734 -0.811 -5.971 367 1HB GLN 46 2HB GLN 46 5.992 -1.695 -4.506 368 2HB GLN 46 1HB GLN 46 7.058 -1.530 -3.116 369 1HG GLN 46 2HG GLN 46 5.391 0.263 -3.249 370 2HG GLN 46 1HG GLN 46 7.044 0.866 -3.330 371 1HE2 GLN 46 1HE2 GLN 46 6.479 2.759 -4.334 372 2HE2 GLN 46 2HE2 GLN 46 5.938 2.832 -5.973 373 H THR 47 H THR 47 9.682 -1.748 -3.154 374 HA THR 47 HA THR 47 10.647 0.802 -2.513 375 HB THR 47 HB THR 47 12.094 -1.840 -2.205 376 HG1 THR 47 1HG THR 47 10.183 -1.968 -1.084 377 1HG2 THR 47 1HG2 THR 47 13.326 -0.728 -0.418 378 2HG2 THR 47 2HG2 THR 47 12.455 0.774 -0.730 379 3HG2 THR 47 3HG2 THR 47 13.562 0.127 -1.942 380 H MET 48 H MET 48 11.847 -1.610 -4.807 381 HA MET 48 HA MET 48 14.137 -0.261 -5.678 382 1HB MET 48 2HB MET 48 13.693 -2.563 -6.313 383 2HB MET 48 1HB MET 48 12.252 -2.077 -7.192 384 1HG MET 48 2HG MET 48 14.044 -2.539 -8.729 385 2HG MET 48 1HG MET 48 13.654 -0.820 -8.767 386 1HE MET 48 1HE MET 48 16.283 -2.039 -9.998 387 2HE MET 48 2HE MET 48 17.520 -0.916 -9.437 388 3HE MET 48 3HE MET 48 15.966 -0.305 -10.013 389 H LEU 49 H LEU 49 10.787 -0.117 -6.837 390 HA LEU 49 HA LEU 49 11.230 1.762 -8.887 391 1HB LEU 49 2HB LEU 49 8.833 0.769 -7.420 392 2HB LEU 49 1HB LEU 49 8.672 2.245 -8.352 393 HG LEU 49 HG LEU 49 9.344 1.060 -10.385 394 1HD1 LEU 49 1HD1 LEU 49 10.826 -0.605 -9.429 395 2HD1 LEU 49 2HD1 LEU 49 9.568 -1.375 -10.397 396 3HD1 LEU 49 3HD1 LEU 49 9.458 -1.389 -8.636 397 1HD2 LEU 49 1HD2 LEU 49 6.977 1.166 -9.740 398 2HD2 LEU 49 2HD2 LEU 49 7.147 -0.382 -8.913 399 3HD2 LEU 49 3HD2 LEU 49 7.357 -0.287 -10.663 400 H ILE 50 H ILE 50 10.460 2.142 -5.462 401 HA ILE 50 HA ILE 50 9.996 4.914 -5.464 402 HB ILE 50 HB ILE 50 11.187 3.206 -3.268 403 1HG1 ILE 50 2HG1 ILE 50 8.349 4.163 -3.709 404 2HG1 ILE 50 1HG1 ILE 50 8.926 2.527 -3.999 405 1HG2 ILE 50 1HG2 ILE 50 10.038 5.991 -3.140 406 2HG2 ILE 50 2HG2 ILE 50 11.725 5.539 -2.893 407 3HG2 ILE 50 3HG2 ILE 50 10.494 5.011 -1.745 408 1HD1 ILE 50 1HD1 ILE 50 8.880 3.916 -1.330 409 2HD1 ILE 50 2HD1 ILE 50 9.410 2.261 -1.637 410 3HD1 ILE 50 3HD1 ILE 50 7.723 2.708 -1.891 411 H ASN 51 H ASN 51 12.957 3.029 -5.346 412 HA ASN 51 HA ASN 51 14.720 5.214 -4.891 413 1HB ASN 51 2HB ASN 51 15.230 2.513 -6.159 414 2HB ASN 51 1HB ASN 51 16.485 3.660 -5.709 415 1HD2 ASN 51 1HD2 ASN 51 15.995 0.933 -4.794 416 2HD2 ASN 51 2HD2 ASN 51 15.836 1.032 -3.076 417 H GLU 52 H GLU 52 13.785 3.428 -7.808 418 HA GLU 52 HA GLU 52 15.370 4.850 -9.628 419 1HB GLU 52 2HB GLU 52 12.746 3.433 -10.117 420 2HB GLU 52 1HB GLU 52 13.890 3.913 -11.359 421 1HG GLU 52 2HG GLU 52 15.570 2.419 -10.322 422 2HG GLU 52 1HG GLU 52 14.330 1.880 -9.186 423 H LYS 53 H LYS 53 12.003 5.317 -8.636 424 HA LYS 53 HA LYS 53 11.650 7.560 -10.424 425 1HB LYS 53 2HB LYS 53 9.854 6.511 -8.232 426 2HB LYS 53 1HB LYS 53 9.402 7.687 -9.454 427 1HG LYS 53 2HG LYS 53 9.616 6.035 -11.193 428 2HG LYS 53 1HG LYS 53 10.228 4.851 -10.035 429 1HD LYS 53 2HD LYS 53 8.105 4.930 -8.826 430 2HD LYS 53 1HD LYS 53 7.496 6.124 -9.971 431 1HE LYS 53 2HE LYS 53 7.786 4.472 -11.787 432 2HE LYS 53 1HE LYS 53 8.289 3.283 -10.587 433 1HZ LYS 53 1HZ LYS 53 5.951 3.041 -11.157 434 2HZ LYS 53 2HZ LYS 53 5.640 4.629 -10.669 435 3HZ LYS 53 3HZ LYS 53 6.124 3.474 -9.533 436 H LYS 54 H LYS 54 12.800 7.057 -7.277 437 HA LYS 54 HA LYS 54 13.335 8.372 -5.518 438 1HB LYS 54 2HB LYS 54 14.661 9.423 -7.419 439 2HB LYS 54 1HB LYS 54 13.403 10.649 -7.497 440 1HG LYS 54 2HG LYS 54 15.278 11.457 -6.209 441 2HG LYS 54 1HG LYS 54 13.867 11.258 -5.168 442 1HD LYS 54 2HD LYS 54 14.741 9.171 -4.316 443 2HD LYS 54 1HD LYS 54 16.105 9.252 -5.432 444 1HE LYS 54 2HE LYS 54 16.777 9.952 -3.201 445 2HE LYS 54 1HE LYS 54 16.873 11.300 -4.331 446 1HZ LYS 54 1HZ LYS 54 14.688 10.811 -2.383 447 2HZ LYS 54 2HZ LYS 54 14.727 12.079 -3.497 448 3HZ LYS 54 3HZ LYS 54 15.879 12.003 -2.265 449 H LEU 55 H LEU 55 10.912 7.889 -5.167 450 HA LEU 55 HA LEU 55 9.065 10.036 -5.580 451 1HB LEU 55 2HB LEU 55 8.770 7.534 -3.919 452 2HB LEU 55 1HB LEU 55 7.469 8.610 -4.390 453 HG LEU 55 HG LEU 55 9.134 6.937 -6.273 454 1HD1 LEU 55 1HD1 LEU 55 7.606 5.592 -4.947 455 2HD1 LEU 55 2HD1 LEU 55 7.067 5.682 -6.623 456 3HD1 LEU 55 3HD1 LEU 55 6.268 6.655 -5.389 457 1HD2 LEU 55 1HD2 LEU 55 7.537 7.662 -7.983 458 2HD2 LEU 55 2HD2 LEU 55 8.429 9.026 -7.309 459 3HD2 LEU 55 3HD2 LEU 55 6.764 8.724 -6.807 460 H ASN 56 H ASN 56 8.250 11.479 -4.167 461 HA ASN 56 HA ASN 56 9.566 11.699 -1.561 462 1HB ASN 56 2HB ASN 56 9.713 13.703 -2.877 463 2HB ASN 56 1HB ASN 56 7.984 13.680 -3.206 464 1HD2 ASN 56 1HD2 ASN 56 10.427 14.221 -0.771 465 2HD2 ASN 56 2HD2 ASN 56 9.429 15.141 0.299 466 H MET 57 H MET 57 8.532 10.906 0.129 467 HA MET 57 HA MET 57 5.703 10.266 -0.147 468 1HB MET 57 2HB MET 57 7.741 9.411 1.909 469 2HB MET 57 1HB MET 57 6.068 8.873 1.875 470 1HG MET 57 2HG MET 57 8.173 8.356 -0.210 471 2HG MET 57 1HG MET 57 7.473 7.187 0.908 472 1HE MET 57 1HE MET 57 6.900 5.517 -1.048 473 2HE MET 57 2HE MET 57 7.652 6.634 -2.187 474 3HE MET 57 3HE MET 57 6.046 5.986 -2.519 475 H MET 58 H MET 58 6.275 13.006 0.249 476 HA MET 58 HA MET 58 5.284 13.469 2.968 477 1HB MET 58 2HB MET 58 6.206 15.373 0.809 478 2HB MET 58 1HB MET 58 5.457 15.907 2.305 479 1HG MET 58 2HG MET 58 7.262 14.863 3.579 480 2HG MET 58 1HG MET 58 8.016 14.350 2.072 481 1HE MET 58 1HE MET 58 6.182 17.846 2.531 482 2HE MET 58 2HE MET 58 7.488 18.784 3.255 483 3HE MET 58 3HE MET 58 6.781 17.434 4.138 484 H ASN 59 H ASN 59 4.360 13.792 -0.414 485 HA ASN 59 HA ASN 59 1.796 14.960 0.301 486 1HB ASN 59 2HB ASN 59 2.905 14.204 -2.413 487 2HB ASN 59 1HB ASN 59 1.384 15.045 -2.136 488 1HD2 ASN 59 1HD2 ASN 59 3.480 15.999 -3.726 489 2HD2 ASN 59 2HD2 ASN 59 4.108 17.439 -2.992 490 H ALA 60 H ALA 60 -0.223 14.033 -0.341 491 HA ALA 60 HA ALA 60 -0.362 11.217 0.166 492 1HB ALA 60 1HB ALA 60 -2.762 11.505 0.035 493 2HB ALA 60 2HB ALA 60 -2.554 13.112 -0.663 494 3HB ALA 60 3HB ALA 60 -2.049 12.799 0.998 495 H GLU 61 H GLU 61 0.215 13.003 -2.574 496 HA GLU 61 HA GLU 61 -1.182 11.794 -4.628 497 1HB GLU 61 2HB GLU 61 1.722 12.630 -4.708 498 2HB GLU 61 1HB GLU 61 0.636 12.490 -6.082 499 1HG GLU 61 2HG GLU 61 -0.673 14.345 -5.301 500 2HG GLU 61 1HG GLU 61 0.269 14.429 -3.813 501 H HIS 62 H HIS 62 1.982 10.853 -3.306 502 HA HIS 62 HA HIS 62 2.064 8.469 -4.923 503 1HB HIS 62 2HB HIS 62 3.891 9.328 -2.664 504 2HB HIS 62 1HB HIS 62 4.196 8.017 -3.800 505 HD1 HIS 62 1HD HIS 62 4.381 8.848 -6.413 506 HD2 HIS 62 2HD HIS 62 4.871 11.735 -3.461 507 HE1 HIS 62 1HE HIS 62 5.511 10.781 -7.541 508 HE2 HIS 62 2HE HIS 62 5.999 12.413 -5.691 509 H ARG 63 H ARG 63 0.848 9.352 -1.860 510 HA ARG 63 HA ARG 63 1.012 6.862 -0.526 511 1HB ARG 63 2HB ARG 63 0.530 9.054 0.578 512 2HB ARG 63 1HB ARG 63 -1.063 9.035 -0.164 513 1HG ARG 63 2HG ARG 63 -1.281 8.302 2.092 514 2HG ARG 63 1HG ARG 63 -1.528 6.906 1.040 515 1HD ARG 63 2HD ARG 63 -0.129 6.311 2.939 516 2HD ARG 63 1HD ARG 63 0.787 6.208 1.436 517 HE ARG 63 HE ARG 63 1.143 8.759 2.564 518 1HH1 ARG 63 1HH1 ARG 63 2.016 5.424 3.161 519 2HH1 ARG 63 2HH1 ARG 63 3.481 5.826 3.996 520 1HH2 ARG 63 1HH2 ARG 63 3.062 9.292 3.654 521 2HH2 ARG 63 2HH2 ARG 63 4.079 8.032 4.275 522 H LYS 64 H LYS 64 -1.654 8.419 -2.320 523 HA LYS 64 HA LYS 64 -3.335 6.127 -2.217 524 1HB LYS 64 2HB LYS 64 -4.761 7.272 -3.789 525 2HB LYS 64 1HB LYS 64 -4.179 8.445 -2.616 526 1HG LYS 64 2HG LYS 64 -2.675 9.395 -4.165 527 2HG LYS 64 1HG LYS 64 -2.875 8.051 -5.290 528 1HD LYS 64 2HD LYS 64 -5.289 8.733 -5.501 529 2HD LYS 64 1HD LYS 64 -4.878 10.191 -4.595 530 1HE LYS 64 2HE LYS 64 -3.257 10.814 -6.288 531 2HE LYS 64 1HE LYS 64 -3.577 9.323 -7.172 532 1HZ LYS 64 1HZ LYS 64 -5.376 11.639 -6.797 533 2HZ LYS 64 2HZ LYS 64 -5.944 10.137 -7.319 534 3HZ LYS 64 3HZ LYS 64 -4.800 10.975 -8.249 535 H LEU 65 H LEU 65 -0.847 7.251 -4.400 536 HA LEU 65 HA LEU 65 -1.335 5.642 -6.617 537 1HB LEU 65 2HB LEU 65 0.339 7.416 -6.607 538 2HB LEU 65 1HB LEU 65 1.302 6.522 -5.447 539 HG LEU 65 HG LEU 65 1.584 4.723 -7.159 540 1HD1 LEU 65 1HD1 LEU 65 0.315 6.757 -8.988 541 2HD1 LEU 65 2HD1 LEU 65 -0.372 5.202 -8.519 542 3HD1 LEU 65 3HD1 LEU 65 1.097 5.258 -9.493 543 1HD2 LEU 65 1HD2 LEU 65 2.550 7.480 -7.903 544 2HD2 LEU 65 2HD2 LEU 65 3.237 5.961 -8.476 545 3HD2 LEU 65 3HD2 LEU 65 3.317 6.374 -6.764 546 H LEU 66 H LEU 66 0.854 4.978 -3.883 547 HA LEU 66 HA LEU 66 1.477 2.354 -4.620 548 1HB LEU 66 2HB LEU 66 1.658 3.927 -2.107 549 2HB LEU 66 1HB LEU 66 1.785 2.184 -1.973 550 HG LEU 66 HG LEU 66 3.678 2.227 -3.577 551 1HD1 LEU 66 1HD1 LEU 66 3.121 4.279 -4.768 552 2HD1 LEU 66 2HD1 LEU 66 4.752 4.359 -4.100 553 3HD1 LEU 66 3HD1 LEU 66 3.431 5.220 -3.311 554 1HD2 LEU 66 1HD2 LEU 66 5.308 3.193 -2.018 555 2HD2 LEU 66 2HD2 LEU 66 4.100 2.214 -1.185 556 3HD2 LEU 66 3HD2 LEU 66 3.995 3.974 -1.142 557 H GLU 67 H GLU 67 -1.218 3.658 -2.798 558 HA GLU 67 HA GLU 67 -2.270 1.220 -1.845 559 1HB GLU 67 2HB GLU 67 -3.032 3.364 -0.981 560 2HB GLU 67 1HB GLU 67 -3.650 3.811 -2.564 561 1HG GLU 67 2HG GLU 67 -5.321 2.066 -2.441 562 2HG GLU 67 1HG GLU 67 -4.680 1.529 -0.891 563 H GLN 68 H GLN 68 -3.076 3.123 -4.744 564 HA GLN 68 HA GLN 68 -4.929 1.296 -5.805 565 1HB GLN 68 2HB GLN 68 -3.207 3.356 -7.178 566 2HB GLN 68 1HB GLN 68 -4.496 2.460 -7.969 567 1HG GLN 68 2HG GLN 68 -6.109 3.388 -6.388 568 2HG GLN 68 1HG GLN 68 -4.814 4.314 -5.625 569 1HE2 GLN 68 1HE2 GLN 68 -6.856 3.982 -8.394 570 2HE2 GLN 68 2HE2 GLN 68 -6.516 5.524 -9.095 571 H GLU 69 H GLU 69 -1.439 1.667 -6.416 572 HA GLU 69 HA GLU 69 -1.348 -0.408 -8.353 573 1HB GLU 69 2HB GLU 69 0.893 0.731 -6.666 574 2HB GLU 69 1HB GLU 69 1.101 -0.316 -8.064 575 1HG GLU 69 2HG GLU 69 -0.272 1.511 -9.300 576 2HG GLU 69 1HG GLU 69 0.219 2.531 -7.947 577 H MET 70 H MET 70 -1.125 -0.370 -4.868 578 HA MET 70 HA MET 70 -0.114 -2.977 -4.503 579 1HB MET 70 2HB MET 70 -0.254 -1.316 -2.686 580 2HB MET 70 1HB MET 70 -2.008 -1.419 -2.730 581 1HG MET 70 2HG MET 70 -1.823 -3.822 -2.141 582 2HG MET 70 1HG MET 70 -0.086 -3.595 -1.944 583 1HE MET 70 1HE MET 70 -0.021 -0.632 -0.676 584 2HE MET 70 2HE MET 70 0.982 -1.966 -0.105 585 3HE MET 70 3HE MET 70 0.025 -1.030 1.043 586 H VAL 71 H VAL 71 -3.455 -1.753 -4.540 587 HA VAL 71 HA VAL 71 -4.685 -4.270 -4.273 588 HB VAL 71 HB VAL 71 -5.804 -1.778 -5.576 589 1HG1 VAL 71 1HG1 VAL 71 -7.043 -3.874 -6.099 590 2HG1 VAL 71 2HG1 VAL 71 -7.988 -2.699 -5.184 591 3HG1 VAL 71 3HG1 VAL 71 -7.303 -4.102 -4.370 592 1HG2 VAL 71 1HG2 VAL 71 -6.822 -1.337 -3.391 593 2HG2 VAL 71 2HG2 VAL 71 -5.061 -1.369 -3.288 594 3HG2 VAL 71 3HG2 VAL 71 -6.005 -2.749 -2.725 595 H SER 72 H SER 72 -3.619 -2.444 -7.080 596 HA SER 72 HA SER 72 -4.796 -4.106 -9.038 597 1HB SER 72 2HB SER 72 -2.311 -2.389 -9.267 598 2HB SER 72 1HB SER 72 -3.264 -3.022 -10.610 599 HG SER 72 HG SER 72 -3.988 -1.063 -8.695 600 H PHE 73 H PHE 73 -1.489 -4.026 -7.708 601 HA PHE 73 HA PHE 73 -0.584 -6.165 -9.345 602 1HB PHE 73 2HB PHE 73 0.875 -4.384 -8.394 603 2HB PHE 73 1HB PHE 73 0.642 -5.088 -6.800 604 HD1 PHE 73 1HD PHE 73 1.792 -7.085 -6.144 605 HD2 PHE 73 2HD PHE 73 2.183 -5.544 -10.089 606 HE1 PHE 73 1HE PHE 73 3.711 -8.574 -6.531 607 HE2 PHE 73 2HE PHE 73 4.097 -7.035 -10.487 608 HZ PHE 73 HZ PHE 73 4.865 -8.552 -8.705 609 H LEU 74 H LEU 74 -1.575 -5.961 -5.942 610 HA LEU 74 HA LEU 74 -0.821 -8.701 -5.486 611 1HB LEU 74 2HB LEU 74 -2.063 -6.595 -3.743 612 2HB LEU 74 1HB LEU 74 -1.796 -8.238 -3.190 613 HG LEU 74 HG LEU 74 0.352 -6.318 -4.101 614 1HD1 LEU 74 1HD1 LEU 74 1.021 -6.280 -1.768 615 2HD1 LEU 74 2HD1 LEU 74 -0.316 -7.352 -1.351 616 3HD1 LEU 74 3HD1 LEU 74 -0.642 -5.724 -1.943 617 1HD2 LEU 74 1HD2 LEU 74 1.903 -8.032 -3.223 618 2HD2 LEU 74 2HD2 LEU 74 0.990 -8.588 -4.625 619 3HD2 LEU 74 3HD2 LEU 74 0.536 -9.124 -3.007 620 H PHE 75 H PHE 75 -3.838 -6.978 -6.067 621 HA PHE 75 HA PHE 75 -5.280 -9.461 -5.428 622 1HB PHE 75 2HB PHE 75 -6.348 -6.634 -5.541 623 2HB PHE 75 1HB PHE 75 -7.291 -8.068 -5.145 624 HD1 PHE 75 1HD PHE 75 -5.738 -9.564 -3.315 625 HD2 PHE 75 2HD PHE 75 -6.048 -5.345 -3.671 626 HE1 PHE 75 1HE PHE 75 -5.101 -9.321 -0.958 627 HE2 PHE 75 2HE PHE 75 -5.415 -5.089 -1.308 628 HZ PHE 75 HZ PHE 75 -4.941 -7.088 0.051 629 H GLU 76 H GLU 76 -4.719 -7.120 -7.957 630 HA GLU 76 HA GLU 76 -5.247 -7.083 -10.170 631 1HB GLU 76 2HB GLU 76 -5.893 -9.986 -9.625 632 2HB GLU 76 1HB GLU 76 -5.930 -9.272 -11.230 633 1HG GLU 76 2HG GLU 76 -3.460 -9.014 -9.592 634 2HG GLU 76 1HG GLU 76 -3.826 -10.557 -10.362 635 H GLY 77 H GLY 77 -7.366 -6.854 -7.898 636 1HA GLY 77 2HA GLY 77 -9.699 -6.903 -9.702 637 2HA GLY 77 1HA GLY 77 -9.803 -7.560 -8.075 638 H LYS 78 H LYS 78 -8.968 -4.576 -9.812 639 HA LYS 78 HA LYS 78 -10.208 -3.081 -7.608 640 1HB LYS 78 2HB LYS 78 -8.548 -1.217 -8.310 641 2HB LYS 78 1HB LYS 78 -7.976 -2.524 -7.295 642 1HG LYS 78 2HG LYS 78 -6.307 -2.140 -8.913 643 2HG LYS 78 1HG LYS 78 -7.116 -3.633 -9.379 644 1HD LYS 78 2HD LYS 78 -8.468 -2.337 -11.002 645 2HD LYS 78 1HD LYS 78 -7.539 -0.898 -10.575 646 1HE LYS 78 2HE LYS 78 -5.513 -1.899 -11.369 647 2HE LYS 78 1HE LYS 78 -6.323 -3.442 -11.633 648 1HZ LYS 78 1HZ LYS 78 -7.736 -2.289 -13.285 649 2HZ LYS 78 2HZ LYS 78 -6.102 -2.350 -13.709 650 3HZ LYS 78 3HZ LYS 78 -6.761 -0.915 -13.111 651 H ASP 79 H ASP 79 -11.280 -1.150 -8.159 652 HA ASP 79 HA ASP 79 -12.009 -0.984 -11.011 653 1HB ASP 79 2HB ASP 79 -13.651 -0.352 -8.552 654 2HB ASP 79 1HB ASP 79 -14.145 0.068 -10.187 655 H VAL 80 H VAL 80 -10.454 0.588 -8.493 656 HA VAL 80 HA VAL 80 -11.097 3.287 -9.249 657 HB VAL 80 HB VAL 80 -8.727 2.427 -7.589 658 1HG1 VAL 80 1HG1 VAL 80 -8.952 4.640 -6.588 659 2HG1 VAL 80 2HG1 VAL 80 -10.343 4.976 -7.619 660 3HG1 VAL 80 3HG1 VAL 80 -8.746 4.758 -8.336 661 1HG2 VAL 80 1HG2 VAL 80 -10.721 1.391 -6.648 662 2HG2 VAL 80 2HG2 VAL 80 -11.541 2.951 -6.634 663 3HG2 VAL 80 3HG2 VAL 80 -10.135 2.683 -5.602 664 H HIS 81 H HIS 81 -10.385 4.120 -11.099 665 HA HIS 81 HA HIS 81 -8.219 3.086 -12.591 666 1HB HIS 81 2HB HIS 81 -10.141 4.423 -13.529 667 2HB HIS 81 1HB HIS 81 -9.412 5.858 -12.819 668 HD1 HIS 81 1HD HIS 81 -7.215 6.755 -13.948 669 HD2 HIS 81 2HD HIS 81 -8.929 3.477 -15.842 670 HE1 HIS 81 1HE HIS 81 -6.086 6.604 -16.187 671 HE2 HIS 81 2HE HIS 81 -7.046 4.539 -17.260 672 H ILE 82 H ILE 82 -6.105 3.382 -12.307 673 HA ILE 82 HA ILE 82 -5.149 4.993 -10.167 674 HB ILE 82 HB ILE 82 -3.474 3.757 -12.355 675 1HG1 ILE 82 2HG1 ILE 82 -4.621 2.558 -9.827 676 2HG1 ILE 82 1HG1 ILE 82 -4.879 2.010 -11.475 677 1HG2 ILE 82 1HG2 ILE 82 -1.747 3.714 -10.606 678 2HG2 ILE 82 2HG2 ILE 82 -2.867 4.500 -9.492 679 3HG2 ILE 82 3HG2 ILE 82 -2.309 5.355 -10.930 680 1HD1 ILE 82 1HD1 ILE 82 -2.524 1.350 -11.608 681 2HD1 ILE 82 2HD1 ILE 82 -3.378 0.528 -10.301 682 3HD1 ILE 82 3HD1 ILE 82 -2.297 1.874 -9.940 683 H GLU 83 H GLU 83 -5.098 7.104 -10.237 684 HA GLU 83 HA GLU 83 -5.062 9.236 -10.942 685 1HB GLU 83 2HB GLU 83 -3.023 8.019 -12.761 686 2HB GLU 83 1HB GLU 83 -3.520 9.690 -13.005 687 1HG GLU 83 2HG GLU 83 -2.403 8.555 -10.450 688 2HG GLU 83 1HG GLU 83 -1.510 9.524 -11.625 689 H GLY 84 H GLY 84 -7.165 9.415 -11.445 690 1HA GLY 84 2HA GLY 84 -7.885 10.331 -13.935 691 2HA GLY 84 1HA GLY 84 -8.287 8.618 -13.938 692 H TYR 85 H TYR 85 -10.438 8.529 -13.751 693 HA TYR 85 HA TYR 85 -12.003 10.392 -12.304 694 1HB TYR 85 2HB TYR 85 -12.724 8.855 -14.227 695 2HB TYR 85 1HB TYR 85 -12.847 7.587 -13.013 696 HD1 TYR 85 1HD TYR 85 -14.624 7.627 -11.351 697 HD2 TYR 85 2HD TYR 85 -14.282 10.710 -14.257 698 HE1 TYR 85 1HE TYR 85 -16.894 8.391 -10.805 699 HE2 TYR 85 2HE TYR 85 -16.553 11.479 -13.722 700 HH TYR 85 HH TYR 85 -18.227 10.522 -10.977 701 H THR 86 H THR 86 -12.460 10.473 -10.192 702 HA THR 86 HA THR 86 -11.591 8.209 -8.531 703 HB THR 86 HB THR 86 -10.106 10.126 -8.265 704 HG1 THR 86 1HG THR 86 -11.797 9.914 -5.975 705 1HG2 THR 86 1HG2 THR 86 -12.576 11.652 -7.437 706 2HG2 THR 86 2HG2 THR 86 -11.637 11.908 -8.908 707 3HG2 THR 86 3HG2 THR 86 -10.918 12.247 -7.334 708 HA PRO 87 HA PRO 87 -15.702 8.334 -6.693 709 1HB PRO 87 2HB PRO 87 -14.572 7.022 -4.348 710 2HB PRO 87 1HB PRO 87 -15.717 6.385 -5.531 711 1HG PRO 87 2HG PRO 87 -13.162 5.496 -5.327 712 2HG PRO 87 1HG PRO 87 -14.065 5.503 -6.851 713 1HD PRO 87 2HD PRO 87 -11.988 7.426 -5.871 714 2HD PRO 87 1HD PRO 87 -12.228 6.756 -7.499 715 H GLU 88 H GLU 88 -16.343 8.618 -4.130 716 HA GLU 88 HA GLU 88 -16.571 10.067 -2.387 717 1HB GLU 88 2HB GLU 88 -13.707 10.890 -2.921 718 2HB GLU 88 1HB GLU 88 -14.611 11.113 -1.429 719 1HG GLU 88 2HG GLU 88 -13.777 8.471 -2.608 720 2HG GLU 88 1HG GLU 88 -12.997 9.294 -1.261 721 H ASP 89 H ASP 89 -16.978 10.832 -5.231 722 HA ASP 89 HA ASP 89 -16.233 13.638 -5.348 723 1HB ASP 89 2HB ASP 89 -15.896 12.368 -7.360 724 2HB ASP 89 1HB ASP 89 -17.557 11.789 -7.328 725 H LYS 90 H LYS 90 -19.219 11.708 -5.440 726 HA LYS 90 HA LYS 90 -20.765 14.178 -5.231 727 1HB LYS 90 2HB LYS 90 -22.717 12.753 -5.717 728 2HB LYS 90 1HB LYS 90 -21.480 12.662 -6.960 729 1HG LYS 90 2HG LYS 90 -20.720 10.523 -6.048 730 2HG LYS 90 1HG LYS 90 -21.959 10.619 -4.795 731 1HD LYS 90 2HD LYS 90 -22.686 9.172 -6.617 732 2HD LYS 90 1HD LYS 90 -23.702 10.612 -6.528 733 1HE LYS 90 2HE LYS 90 -22.350 11.624 -8.336 734 2HE LYS 90 1HE LYS 90 -21.430 10.127 -8.453 735 1HZ LYS 90 1HZ LYS 90 -24.357 10.366 -8.896 736 2HZ LYS 90 2HZ LYS 90 -23.425 8.964 -9.086 737 3HZ LYS 90 3HZ LYS 90 -23.189 10.282 -10.117 738 H LYS 91 H LYS 91 -19.214 12.797 -3.025 739 HA LYS 91 HA LYS 91 -21.275 13.223 -1.044 740 1HB LYS 91 2HB LYS 91 -20.600 11.153 0.225 741 2HB LYS 91 1HB LYS 91 -21.522 10.864 -1.241 742 1HG LYS 91 2HG LYS 91 -19.532 10.198 -2.420 743 2HG LYS 91 1HG LYS 91 -18.527 10.636 -1.034 744 1HD LYS 91 2HD LYS 91 -19.707 8.925 0.311 745 2HD LYS 91 1HD LYS 91 -20.611 8.455 -1.129 746 1HE LYS 91 2HE LYS 91 -18.583 7.782 -2.240 747 2HE LYS 91 1HE LYS 91 -17.603 8.389 -0.904 748 1HZ LYS 91 1HZ LYS 91 -19.506 6.108 -0.819 749 2HZ LYS 91 2HZ LYS 91 -18.702 6.734 0.530 750 3HZ LYS 91 3HZ LYS 91 -17.818 6.025 -0.725 Start of MODEL 10 1 1H MET 1 1HT MET 1 3.725 -20.154 7.871 2 2H MET 1 2HT MET 1 4.018 -21.284 9.100 3 3H MET 1 3HT MET 1 4.326 -19.645 9.372 4 HA MET 1 HA MET 1 2.313 -20.237 10.477 5 1HB MET 1 2HB MET 1 2.437 -18.009 9.417 6 2HB MET 1 1HB MET 1 1.765 -18.681 7.937 7 1HG MET 1 2HG MET 1 0.079 -17.492 9.213 8 2HG MET 1 1HG MET 1 -0.307 -19.208 9.091 9 1HE MET 1 1HE MET 1 -1.722 -18.384 12.618 10 2HE MET 1 2HE MET 1 -2.046 -19.117 11.047 11 3HE MET 1 3HE MET 1 -1.787 -17.376 11.174 12 H SER 2 H SER 2 1.113 -22.037 10.625 13 HA SER 2 HA SER 2 0.523 -23.547 8.235 14 1HB SER 2 2HB SER 2 -0.427 -25.216 9.853 15 2HB SER 2 1HB SER 2 1.264 -24.808 10.144 16 HG SER 2 HG SER 2 -1.021 -23.880 11.547 17 H ARG 3 H ARG 3 -0.840 -21.740 7.423 18 HA ARG 3 HA ARG 3 -3.618 -22.459 7.965 19 1HB ARG 3 2HB ARG 3 -3.305 -20.421 9.273 20 2HB ARG 3 1HB ARG 3 -2.622 -19.599 7.875 21 1HG ARG 3 2HG ARG 3 -4.728 -19.635 6.741 22 2HG ARG 3 1HG ARG 3 -5.434 -20.669 7.984 23 1HD ARG 3 2HD ARG 3 -4.412 -17.867 8.436 24 2HD ARG 3 1HD ARG 3 -6.106 -18.300 8.207 25 HE ARG 3 HE ARG 3 -5.280 -19.873 10.279 26 1HH1 ARG 3 1HH1 ARG 3 -5.311 -16.414 9.674 27 2HH1 ARG 3 2HH1 ARG 3 -5.410 -16.002 11.356 28 1HH2 ARG 3 1HH2 ARG 3 -5.455 -19.323 12.482 29 2HH2 ARG 3 2HH2 ARG 3 -5.504 -17.652 12.945 30 H THR 4 H THR 4 -4.148 -23.326 6.078 31 HA THR 4 HA THR 4 -2.814 -22.555 3.654 32 HB THR 4 HB THR 4 -5.125 -24.476 3.881 33 HG1 THR 4 1HG THR 4 -3.812 -25.926 4.754 34 1HG2 THR 4 1HG2 THR 4 -2.735 -24.363 2.030 35 2HG2 THR 4 2HG2 THR 4 -4.382 -23.887 1.617 36 3HG2 THR 4 3HG2 THR 4 -4.020 -25.572 1.990 37 H ILE 5 H ILE 5 -3.433 -20.649 2.815 38 HA ILE 5 HA ILE 5 -6.296 -20.358 2.174 39 HB ILE 5 HB ILE 5 -5.855 -17.875 2.044 40 1HG1 ILE 5 2HG1 ILE 5 -3.915 -17.210 3.687 41 2HG1 ILE 5 1HG1 ILE 5 -3.240 -18.765 3.215 42 1HG2 ILE 5 1HG2 ILE 5 -5.574 -19.194 4.737 43 2HG2 ILE 5 2HG2 ILE 5 -7.081 -18.843 3.891 44 3HG2 ILE 5 3HG2 ILE 5 -6.062 -17.522 4.462 45 1HD1 ILE 5 1HD1 ILE 5 -2.307 -16.966 1.887 46 2HD1 ILE 5 2HD1 ILE 5 -3.924 -16.494 1.361 47 3HD1 ILE 5 3HD1 ILE 5 -3.259 -18.053 0.875 48 H PHE 6 H PHE 6 -6.725 -19.258 0.121 49 HA PHE 6 HA PHE 6 -4.640 -19.897 -1.833 50 1HB PHE 6 2HB PHE 6 -7.600 -19.390 -2.169 51 2HB PHE 6 1HB PHE 6 -6.490 -19.601 -3.520 52 HD1 PHE 6 1HD PHE 6 -8.288 -21.245 -0.821 53 HD2 PHE 6 2HD PHE 6 -5.460 -21.768 -3.950 54 HE1 PHE 6 1HE PHE 6 -8.581 -23.682 -0.669 55 HE2 PHE 6 2HE PHE 6 -5.747 -24.207 -3.807 56 HZ PHE 6 HZ PHE 6 -7.310 -25.168 -2.166 57 H CYS 7 H CYS 7 -3.291 -18.253 -1.999 58 HA CYS 7 HA CYS 7 -4.093 -15.547 -1.570 59 1HB CYS 7 2HB CYS 7 -1.697 -15.088 -2.345 60 2HB CYS 7 1HB CYS 7 -1.903 -16.051 -0.886 61 HG CYS 7 HG CYS 7 -0.478 -18.013 -1.676 62 H THR 8 H THR 8 -4.470 -13.952 -2.983 63 HA THR 8 HA THR 8 -5.521 -14.617 -5.489 64 HB THR 8 HB THR 8 -5.466 -12.060 -5.820 65 HG1 THR 8 1HG THR 8 -4.309 -11.015 -4.383 66 1HG2 THR 8 1HG2 THR 8 -7.277 -11.734 -4.203 67 2HG2 THR 8 2HG2 THR 8 -6.815 -13.223 -3.380 68 3HG2 THR 8 3HG2 THR 8 -7.440 -13.282 -5.028 69 H TYR 9 H TYR 9 -2.345 -13.408 -4.580 70 HA TYR 9 HA TYR 9 -1.589 -12.658 -7.216 71 1HB TYR 9 2HB TYR 9 -0.555 -11.684 -5.186 72 2HB TYR 9 1HB TYR 9 0.204 -13.235 -4.851 73 HD1 TYR 9 1HD TYR 9 2.320 -13.705 -5.730 74 HD2 TYR 9 2HD TYR 9 0.007 -10.578 -7.455 75 HE1 TYR 9 1HE TYR 9 4.237 -13.067 -7.127 76 HE2 TYR 9 2HE TYR 9 1.918 -9.937 -8.865 77 HH TYR 9 HH TYR 9 4.616 -11.884 -9.309 78 H LEU 10 H LEU 10 -0.965 -15.572 -5.261 79 HA LEU 10 HA LEU 10 0.625 -16.695 -7.427 80 1HB LEU 10 2HB LEU 10 -0.043 -17.715 -4.672 81 2HB LEU 10 1HB LEU 10 0.802 -18.688 -5.857 82 HG LEU 10 HG LEU 10 2.534 -16.787 -5.915 83 1HD1 LEU 10 1HD1 LEU 10 1.163 -16.124 -3.315 84 2HD1 LEU 10 2HD1 LEU 10 1.212 -15.103 -4.752 85 3HD1 LEU 10 3HD1 LEU 10 2.699 -15.462 -3.871 86 1HD2 LEU 10 1HD2 LEU 10 3.715 -17.720 -4.008 87 2HD2 LEU 10 2HD2 LEU 10 2.915 -18.998 -4.922 88 3HD2 LEU 10 3HD2 LEU 10 2.218 -18.429 -3.406 89 H GLN 11 H GLN 11 -2.569 -16.933 -6.113 90 HA GLN 11 HA GLN 11 -4.445 -17.984 -6.828 91 1HB GLN 11 2HB GLN 11 -2.706 -18.484 -9.229 92 2HB GLN 11 1HB GLN 11 -4.312 -19.186 -9.111 93 1HG GLN 11 2HG GLN 11 -3.659 -16.249 -9.030 94 2HG GLN 11 1HG GLN 11 -4.328 -17.130 -10.404 95 1HE2 GLN 11 1HE2 GLN 11 -4.973 -15.687 -7.343 96 2HE2 GLN 11 2HE2 GLN 11 -6.691 -15.893 -7.365 97 H ARG 12 H ARG 12 -2.099 -19.330 -5.423 98 HA ARG 12 HA ARG 12 -3.110 -22.079 -5.699 99 1HB ARG 12 2HB ARG 12 -0.266 -21.265 -5.061 100 2HB ARG 12 1HB ARG 12 -0.870 -22.911 -5.145 101 1HG ARG 12 2HG ARG 12 -1.311 -22.648 -7.522 102 2HG ARG 12 1HG ARG 12 -0.751 -20.977 -7.445 103 1HD ARG 12 2HD ARG 12 1.464 -21.749 -6.756 104 2HD ARG 12 1HD ARG 12 0.906 -23.421 -6.830 105 HE ARG 12 HE ARG 12 0.469 -22.116 -9.306 106 1HH1 ARG 12 1HH1 ARG 12 3.028 -23.469 -7.338 107 2HH1 ARG 12 2HH1 ARG 12 4.041 -23.856 -8.693 108 1HH2 ARG 12 1HH2 ARG 12 1.808 -22.622 -11.097 109 2HH2 ARG 12 2HH2 ARG 12 3.337 -23.400 -10.829 110 H ASP 13 H ASP 13 -2.518 -23.362 -3.642 111 HA ASP 13 HA ASP 13 -3.416 -21.860 -1.368 112 1HB ASP 13 2HB ASP 13 -3.181 -24.009 -0.144 113 2HB ASP 13 1HB ASP 13 -4.210 -24.126 -1.564 114 H ALA 14 H ALA 14 -2.244 -20.968 0.147 115 HA ALA 14 HA ALA 14 0.527 -21.732 0.566 116 1HB ALA 14 1HB ALA 14 1.389 -19.489 0.257 117 2HB ALA 14 2HB ALA 14 -0.220 -18.904 -0.164 118 3HB ALA 14 3HB ALA 14 0.612 -20.038 -1.229 119 H GLU 15 H GLU 15 1.382 -19.971 2.305 120 HA GLU 15 HA GLU 15 -0.436 -20.387 4.515 121 1HB GLU 15 2HB GLU 15 1.436 -19.784 5.929 122 2HB GLU 15 1HB GLU 15 1.958 -20.956 4.728 123 1HG GLU 15 2HG GLU 15 2.899 -19.100 3.390 124 2HG GLU 15 1HG GLU 15 2.466 -17.990 4.690 125 H GLY 16 H GLY 16 -1.342 -18.795 5.761 126 1HA GLY 16 2HA GLY 16 -1.813 -16.242 4.637 127 2HA GLY 16 1HA GLY 16 -2.182 -16.722 6.289 128 H GLN 17 H GLN 17 -1.334 -14.178 5.848 129 HA GLN 17 HA GLN 17 1.505 -13.983 6.044 130 1HB GLN 17 2HB GLN 17 -0.742 -12.051 6.081 131 2HB GLN 17 1HB GLN 17 0.789 -11.539 6.770 132 1HG GLN 17 2HG GLN 17 1.902 -12.133 4.652 133 2HG GLN 17 1HG GLN 17 0.324 -12.519 3.966 134 1HE2 GLN 17 1HE2 GLN 17 2.358 -9.977 5.215 135 2HE2 GLN 17 2HE2 GLN 17 1.507 -8.671 4.472 136 H ASP 18 H ASP 18 -0.027 -11.906 8.263 137 HA ASP 18 HA ASP 18 1.112 -13.404 10.508 138 1HB ASP 18 2HB ASP 18 1.860 -10.600 9.659 139 2HB ASP 18 1HB ASP 18 2.166 -11.213 11.279 140 H PHE 19 H PHE 19 0.882 -11.461 12.420 141 HA PHE 19 HA PHE 19 -1.998 -11.172 12.670 142 1HB PHE 19 2HB PHE 19 -1.468 -10.523 15.018 143 2HB PHE 19 1HB PHE 19 -0.868 -12.120 14.588 144 HD1 PHE 19 1HD PHE 19 -0.010 -8.777 15.655 145 HD2 PHE 19 2HD PHE 19 1.561 -12.453 14.194 146 HE1 PHE 19 1HE PHE 19 2.232 -8.115 16.414 147 HE2 PHE 19 2HE PHE 19 3.806 -11.794 14.950 148 HZ PHE 19 HZ PHE 19 4.145 -9.626 16.060 149 H GLN 20 H GLN 20 -2.619 -9.043 13.901 150 HA GLN 20 HA GLN 20 -2.017 -6.878 12.143 151 1HB GLN 20 2HB GLN 20 -3.491 -6.875 14.785 152 2HB GLN 20 1HB GLN 20 -3.479 -5.558 13.623 153 1HG GLN 20 2HG GLN 20 -4.606 -8.312 13.167 154 2HG GLN 20 1HG GLN 20 -5.533 -6.843 13.473 155 1HE2 GLN 20 1HE2 GLN 20 -5.621 -5.248 11.883 156 2HE2 GLN 20 2HE2 GLN 20 -5.245 -5.587 10.231 157 H LEU 21 H LEU 21 0.091 -6.292 12.232 158 HA LEU 21 HA LEU 21 1.160 -5.493 14.851 159 1HB LEU 21 2HB LEU 21 3.423 -5.863 13.593 160 2HB LEU 21 1HB LEU 21 2.553 -7.213 14.294 161 HG LEU 21 HG LEU 21 1.593 -7.674 12.012 162 1HD1 LEU 21 1HD1 LEU 21 1.922 -5.481 11.015 163 2HD1 LEU 21 2HD1 LEU 21 2.730 -6.734 10.075 164 3HD1 LEU 21 3HD1 LEU 21 3.670 -5.679 11.131 165 1HD2 LEU 21 1HD2 LEU 21 4.590 -7.774 12.304 166 2HD2 LEU 21 2HD2 LEU 21 3.633 -8.728 11.170 167 3HD2 LEU 21 3HD2 LEU 21 3.440 -8.969 12.906 168 H TYR 22 H TYR 22 0.178 -4.292 11.871 169 HA TYR 22 HA TYR 22 1.345 -1.729 12.453 170 1HB TYR 22 2HB TYR 22 3.207 -2.566 11.239 171 2HB TYR 22 1HB TYR 22 2.186 -3.262 9.994 172 HD1 TYR 22 1HD TYR 22 2.114 -2.159 7.975 173 HD2 TYR 22 2HD TYR 22 2.860 0.097 11.506 174 HE1 TYR 22 1HE TYR 22 2.385 -0.129 6.613 175 HE2 TYR 22 2HE TYR 22 3.127 2.132 10.152 176 HH TYR 22 HH TYR 22 3.635 2.799 7.916 177 HA PRO 23 HA PRO 23 -1.943 -1.075 9.181 178 1HB PRO 23 2HB PRO 23 -2.862 -3.306 7.779 179 2HB PRO 23 1HB PRO 23 -1.661 -2.150 7.213 180 1HG PRO 23 2HG PRO 23 -1.229 -4.872 7.816 181 2HG PRO 23 1HG PRO 23 0.008 -3.648 7.502 182 1HD PRO 23 2HD PRO 23 -0.990 -4.711 10.095 183 2HD PRO 23 1HD PRO 23 0.629 -4.132 9.656 184 H GLY 24 H GLY 24 -4.364 -1.472 8.771 185 1HA GLY 24 2HA GLY 24 -5.458 -2.715 11.219 186 2HA GLY 24 1HA GLY 24 -6.141 -1.301 10.433 187 H GLU 25 H GLU 25 -7.928 -1.675 9.358 188 HA GLU 25 HA GLU 25 -8.978 -4.268 9.036 189 1HB GLU 25 2HB GLU 25 -9.913 -1.718 7.713 190 2HB GLU 25 1HB GLU 25 -10.854 -3.187 7.929 191 1HG GLU 25 2HG GLU 25 -10.720 -2.911 10.355 192 2HG GLU 25 1HG GLU 25 -9.803 -1.424 10.128 193 H LEU 26 H LEU 26 -7.657 -1.975 6.657 194 HA LEU 26 HA LEU 26 -7.998 -3.647 4.413 195 1HB LEU 26 2HB LEU 26 -7.491 -1.231 4.272 196 2HB LEU 26 1HB LEU 26 -5.889 -1.539 4.911 197 HG LEU 26 HG LEU 26 -5.352 -2.877 2.907 198 1HD1 LEU 26 1HD1 LEU 26 -7.576 -3.652 2.340 199 2HD1 LEU 26 2HD1 LEU 26 -6.862 -2.794 0.973 200 3HD1 LEU 26 3HD1 LEU 26 -8.080 -2.002 1.973 201 1HD2 LEU 26 1HD2 LEU 26 -4.780 -0.510 2.967 202 2HD2 LEU 26 2HD2 LEU 26 -6.368 -0.097 2.322 203 3HD2 LEU 26 3HD2 LEU 26 -5.226 -1.006 1.333 204 H GLY 27 H GLY 27 -5.585 -3.458 6.915 205 1HA GLY 27 2HA GLY 27 -3.562 -5.011 5.728 206 2HA GLY 27 1HA GLY 27 -3.801 -4.790 7.452 207 H LYS 28 H LYS 28 -6.057 -6.000 8.082 208 HA LYS 28 HA LYS 28 -5.303 -8.688 8.152 209 1HB LYS 28 2HB LYS 28 -7.469 -9.133 9.172 210 2HB LYS 28 1HB LYS 28 -6.770 -7.666 9.838 211 1HG LYS 28 2HG LYS 28 -8.209 -6.346 8.317 212 2HG LYS 28 1HG LYS 28 -8.967 -7.848 7.790 213 1HD LYS 28 2HD LYS 28 -8.926 -6.784 10.612 214 2HD LYS 28 1HD LYS 28 -10.293 -6.714 9.502 215 1HE LYS 28 2HE LYS 28 -10.380 -9.149 9.439 216 2HE LYS 28 1HE LYS 28 -8.995 -9.236 10.525 217 1HZ LYS 28 1HZ LYS 28 -10.295 -8.124 12.220 218 2HZ LYS 28 2HZ LYS 28 -11.079 -9.532 11.711 219 3HZ LYS 28 3HZ LYS 28 -11.623 -8.024 11.180 220 H ARG 29 H ARG 29 -7.468 -6.971 5.970 221 HA ARG 29 HA ARG 29 -8.533 -9.183 4.627 222 1HB ARG 29 2HB ARG 29 -9.397 -6.959 4.189 223 2HB ARG 29 1HB ARG 29 -7.840 -6.447 3.542 224 1HG ARG 29 2HG ARG 29 -8.077 -8.180 1.779 225 2HG ARG 29 1HG ARG 29 -9.701 -8.500 2.377 226 1HD ARG 29 2HD ARG 29 -10.395 -6.267 1.831 227 2HD ARG 29 1HD ARG 29 -8.744 -5.822 1.387 228 HE ARG 29 HE ARG 29 -9.070 -7.765 -0.314 229 1HH1 ARG 29 1HH1 ARG 29 -11.472 -5.382 0.633 230 2HH1 ARG 29 2HH1 ARG 29 -12.332 -5.468 -0.869 231 1HH2 ARG 29 1HH2 ARG 29 -10.201 -7.872 -2.280 232 2HH2 ARG 29 2HH2 ARG 29 -11.613 -6.891 -2.527 233 H ILE 30 H ILE 30 -5.707 -7.199 3.738 234 HA ILE 30 HA ILE 30 -4.853 -8.799 1.605 235 HB ILE 30 HB ILE 30 -3.171 -7.058 3.419 236 1HG1 ILE 30 2HG1 ILE 30 -4.502 -6.410 0.777 237 2HG1 ILE 30 1HG1 ILE 30 -5.074 -5.876 2.354 238 1HG2 ILE 30 1HG2 ILE 30 -1.825 -8.615 2.095 239 2HG2 ILE 30 2HG2 ILE 30 -1.604 -6.952 1.554 240 3HG2 ILE 30 3HG2 ILE 30 -2.620 -8.052 0.624 241 1HD1 ILE 30 1HD1 ILE 30 -3.875 -4.107 1.229 242 2HD1 ILE 30 2HD1 ILE 30 -2.456 -5.139 1.071 243 3HD1 ILE 30 3HD1 ILE 30 -2.995 -4.622 2.668 244 H TYR 31 H TYR 31 -4.207 -8.982 5.047 245 HA TYR 31 HA TYR 31 -2.073 -10.819 4.907 246 1HB TYR 31 2HB TYR 31 -3.914 -9.918 7.088 247 2HB TYR 31 1HB TYR 31 -2.826 -11.272 7.366 248 HD1 TYR 31 1HD TYR 31 -2.075 -8.256 5.328 249 HD2 TYR 31 2HD TYR 31 -1.390 -10.319 8.984 250 HE1 TYR 31 1HE TYR 31 -0.263 -6.687 5.865 251 HE2 TYR 31 2HE TYR 31 0.423 -8.751 9.532 252 HH TYR 31 HH TYR 31 1.985 -7.247 8.311 253 H ASN 32 H ASN 32 -5.515 -11.324 4.622 254 HA ASN 32 HA ASN 32 -5.049 -14.189 5.078 255 1HB ASN 32 2HB ASN 32 -7.322 -14.509 5.510 256 2HB ASN 32 1HB ASN 32 -6.961 -12.963 6.262 257 1HD2 ASN 32 1HD2 ASN 32 -7.916 -11.118 5.493 258 2HD2 ASN 32 2HD2 ASN 32 -9.163 -11.135 4.290 259 H GLU 33 H GLU 33 -5.372 -12.011 2.481 260 HA GLU 33 HA GLU 33 -5.977 -14.292 0.716 261 1HB GLU 33 2HB GLU 33 -6.703 -12.580 -0.987 262 2HB GLU 33 1HB GLU 33 -7.744 -12.740 0.416 263 1HG GLU 33 2HG GLU 33 -6.410 -10.744 1.355 264 2HG GLU 33 1HG GLU 33 -5.892 -10.512 -0.313 265 H ILE 34 H ILE 34 -3.535 -12.343 1.743 266 HA ILE 34 HA ILE 34 -1.940 -13.026 -0.630 267 HB ILE 34 HB ILE 34 -1.957 -10.488 0.976 268 1HG1 ILE 34 2HG1 ILE 34 -3.297 -10.633 -1.090 269 2HG1 ILE 34 1HG1 ILE 34 -2.010 -9.437 -1.217 270 1HG2 ILE 34 1HG2 ILE 34 0.162 -9.815 -0.001 271 2HG2 ILE 34 2HG2 ILE 34 0.327 -11.393 -0.768 272 3HG2 ILE 34 3HG2 ILE 34 0.365 -11.258 0.989 273 1HD1 ILE 34 1HD1 ILE 34 -0.651 -11.120 -2.435 274 2HD1 ILE 34 2HD1 ILE 34 -2.133 -10.651 -3.267 275 3HD1 ILE 34 3HD1 ILE 34 -2.051 -12.194 -2.416 276 H SER 35 H SER 35 -0.112 -14.113 -0.245 277 HA SER 35 HA SER 35 0.444 -14.966 2.455 278 1HB SER 35 2HB SER 35 1.872 -15.679 -0.116 279 2HB SER 35 1HB SER 35 1.965 -16.543 1.421 280 HG SER 35 HG SER 35 -0.294 -16.965 1.208 281 H LYS 36 H LYS 36 2.606 -14.941 3.326 282 HA LYS 36 HA LYS 36 3.798 -12.483 3.585 283 1HB LYS 36 2HB LYS 36 5.107 -15.199 3.812 284 2HB LYS 36 1HB LYS 36 5.753 -13.707 4.479 285 1HG LYS 36 2HG LYS 36 4.110 -13.584 6.119 286 2HG LYS 36 1HG LYS 36 3.034 -14.679 5.248 287 1HD LYS 36 2HD LYS 36 4.496 -16.544 5.707 288 2HD LYS 36 1HD LYS 36 5.670 -15.479 6.481 289 1HE LYS 36 2HE LYS 36 2.838 -15.820 7.446 290 2HE LYS 36 1HE LYS 36 4.184 -16.783 8.041 291 1HZ LYS 36 1HZ LYS 36 3.783 -14.938 9.501 292 2HZ LYS 36 2HZ LYS 36 3.919 -13.830 8.230 293 3HZ LYS 36 3HZ LYS 36 5.272 -14.717 8.730 294 H ASP 37 H ASP 37 4.655 -15.084 1.368 295 HA ASP 37 HA ASP 37 6.979 -14.018 0.272 296 1HB ASP 37 2HB ASP 37 4.886 -15.786 -1.005 297 2HB ASP 37 1HB ASP 37 6.494 -15.498 -1.662 298 H ALA 38 H ALA 38 3.653 -13.811 -0.966 299 HA ALA 38 HA ALA 38 4.259 -12.233 -3.215 300 1HB ALA 38 1HB ALA 38 1.657 -12.493 -1.715 301 2HB ALA 38 2HB ALA 38 2.193 -13.505 -3.052 302 3HB ALA 38 3HB ALA 38 1.844 -11.798 -3.323 303 H TRP 39 H TRP 39 3.292 -11.405 0.071 304 HA TRP 39 HA TRP 39 3.017 -8.627 -0.323 305 1HB TRP 39 2HB TRP 39 2.121 -9.766 1.644 306 2HB TRP 39 1HB TRP 39 3.747 -10.193 2.161 307 HD1 TRP 39 HD TRP 39 4.922 -8.540 3.745 308 HE1 TRP 39 1HE TRP 39 4.406 -6.178 4.625 309 HE3 TRP 39 3HE TRP 39 0.905 -7.423 0.781 310 HZ2 TRP 39 2HZ TRP 39 2.555 -4.111 4.124 311 HZ3 TRP 39 3HZ TRP 39 -0.178 -5.229 1.045 312 HH2 TRP 39 HH TRP 39 0.630 -3.610 2.684 313 H ALA 40 H ALA 40 5.764 -10.626 0.703 314 HA ALA 40 HA ALA 40 7.595 -8.527 1.112 315 1HB ALA 40 1HB ALA 40 8.165 -11.368 0.269 316 2HB ALA 40 2HB ALA 40 7.969 -10.803 1.928 317 3HB ALA 40 3HB ALA 40 9.328 -10.233 0.958 318 H GLN 41 H GLN 41 6.783 -10.415 -1.759 319 HA GLN 41 HA GLN 41 8.718 -9.364 -3.484 320 1HB GLN 41 2HB GLN 41 5.935 -10.380 -4.068 321 2HB GLN 41 1HB GLN 41 7.107 -9.980 -5.314 322 1HG GLN 41 2HG GLN 41 7.777 -11.948 -3.166 323 2HG GLN 41 1HG GLN 41 6.832 -12.434 -4.572 324 1HE2 GLN 41 1HE2 GLN 41 9.320 -10.004 -4.834 325 2HE2 GLN 41 2HE2 GLN 41 10.442 -10.972 -5.714 326 H TRP 42 H TRP 42 5.418 -8.250 -2.774 327 HA TRP 42 HA TRP 42 5.477 -6.070 -4.547 328 1HB TRP 42 2HB TRP 42 3.338 -6.757 -3.733 329 2HB TRP 42 1HB TRP 42 3.837 -6.555 -2.055 330 HD1 TRP 42 HD TRP 42 2.491 -4.576 -1.125 331 HE1 TRP 42 1HE TRP 42 1.995 -2.172 -1.884 332 HE3 TRP 42 3HE TRP 42 4.594 -4.734 -5.789 333 HZ2 TRP 42 2HZ TRP 42 2.431 -0.558 -4.146 334 HZ3 TRP 42 3HZ TRP 42 4.510 -2.710 -7.180 335 HH2 TRP 42 HH TRP 42 3.452 -0.669 -6.374 336 H GLN 43 H GLN 43 6.343 -6.314 -1.107 337 HA GLN 43 HA GLN 43 6.755 -3.613 -0.606 338 1HB GLN 43 2HB GLN 43 8.205 -6.005 0.524 339 2HB GLN 43 1HB GLN 43 8.400 -4.369 1.135 340 1HG GLN 43 2HG GLN 43 5.913 -4.347 1.537 341 2HG GLN 43 1HG GLN 43 5.928 -6.077 1.182 342 1HE2 GLN 43 1HE2 GLN 43 6.901 -3.598 3.406 343 2HE2 GLN 43 2HE2 GLN 43 7.330 -4.649 4.710 344 H HIS 44 H HIS 44 9.038 -5.991 -1.920 345 HA HIS 44 HA HIS 44 11.180 -4.107 -2.053 346 1HB HIS 44 2HB HIS 44 10.789 -6.868 -3.167 347 2HB HIS 44 1HB HIS 44 12.199 -5.906 -3.603 348 HD1 HIS 44 1HD HIS 44 13.985 -5.528 -1.792 349 HD2 HIS 44 2HD HIS 44 10.739 -7.791 -0.516 350 HE1 HIS 44 1HE HIS 44 14.666 -6.497 0.424 351 HE2 HIS 44 2HE HIS 44 12.629 -7.729 1.250 352 H LYS 45 H LYS 45 8.727 -5.225 -4.313 353 HA LYS 45 HA LYS 45 9.711 -3.954 -6.623 354 1HB LYS 45 2HB LYS 45 7.940 -5.588 -6.785 355 2HB LYS 45 1HB LYS 45 6.886 -4.618 -5.770 356 1HG LYS 45 2HG LYS 45 6.200 -4.453 -8.072 357 2HG LYS 45 1HG LYS 45 6.808 -2.894 -7.517 358 1HD LYS 45 2HD LYS 45 8.907 -3.256 -8.651 359 2HD LYS 45 1HD LYS 45 8.418 -4.894 -9.102 360 1HE LYS 45 2HE LYS 45 6.542 -3.924 -10.396 361 2HE LYS 45 1HE LYS 45 7.140 -2.313 -10.008 362 1HZ LYS 45 1HZ LYS 45 9.186 -2.831 -11.174 363 2HZ LYS 45 2HZ LYS 45 7.853 -3.026 -12.194 364 3HZ LYS 45 3HZ LYS 45 8.616 -4.384 -11.537 365 H GLN 46 H GLN 46 7.494 -2.838 -4.089 366 HA GLN 46 HA GLN 46 7.038 -0.270 -5.149 367 1HB GLN 46 2HB GLN 46 5.609 -1.244 -3.411 368 2HB GLN 46 1HB GLN 46 6.945 -1.200 -2.270 369 1HG GLN 46 2HG GLN 46 5.439 0.625 -1.836 370 2HG GLN 46 1HG GLN 46 6.977 1.252 -2.426 371 1HE2 GLN 46 1HE2 GLN 46 7.079 2.164 -4.484 372 2HE2 GLN 46 2HE2 GLN 46 5.658 2.659 -5.335 373 H THR 47 H THR 47 9.433 -1.491 -2.838 374 HA THR 47 HA THR 47 10.687 0.945 -2.235 375 HB THR 47 HB THR 47 12.014 -1.772 -2.411 376 HG1 THR 47 1HG THR 47 10.118 -1.715 -1.037 377 1HG2 THR 47 1HG2 THR 47 12.715 0.717 -0.848 378 2HG2 THR 47 2HG2 THR 47 13.628 0.027 -2.192 379 3HG2 THR 47 3HG2 THR 47 13.508 -0.846 -0.665 380 H MET 48 H MET 48 11.397 -1.472 -4.740 381 HA MET 48 HA MET 48 13.532 -0.161 -5.985 382 1HB MET 48 2HB MET 48 12.854 -2.504 -6.450 383 2HB MET 48 1HB MET 48 11.417 -1.908 -7.270 384 1HG MET 48 2HG MET 48 13.078 -2.520 -8.891 385 2HG MET 48 1HG MET 48 12.847 -0.773 -8.915 386 1HE MET 48 1HE MET 48 15.161 -3.735 -7.859 387 2HE MET 48 2HE MET 48 14.897 -2.949 -6.302 388 3HE MET 48 3HE MET 48 16.493 -2.910 -7.051 389 H LEU 49 H LEU 49 10.051 0.077 -6.486 390 HA LEU 49 HA LEU 49 10.099 1.744 -8.752 391 1HB LEU 49 2HB LEU 49 8.187 0.373 -7.506 392 2HB LEU 49 1HB LEU 49 7.876 1.937 -6.781 393 HG LEU 49 HG LEU 49 7.648 2.880 -9.088 394 1HD1 LEU 49 1HD1 LEU 49 8.902 1.264 -10.344 395 2HD1 LEU 49 2HD1 LEU 49 7.230 1.225 -10.903 396 3HD1 LEU 49 3HD1 LEU 49 7.832 -0.039 -9.827 397 1HD2 LEU 49 1HD2 LEU 49 5.781 0.631 -8.340 398 2HD2 LEU 49 2HD2 LEU 49 5.414 1.940 -9.463 399 3HD2 LEU 49 3HD2 LEU 49 5.694 2.293 -7.758 400 H ILE 50 H ILE 50 9.904 2.460 -5.290 401 HA ILE 50 HA ILE 50 9.656 5.258 -5.469 402 HB ILE 50 HB ILE 50 10.905 3.534 -3.324 403 1HG1 ILE 50 2HG1 ILE 50 8.241 4.968 -3.452 404 2HG1 ILE 50 1HG1 ILE 50 8.481 3.245 -3.717 405 1HG2 ILE 50 1HG2 ILE 50 10.276 6.483 -3.217 406 2HG2 ILE 50 2HG2 ILE 50 11.882 5.755 -3.195 407 3HG2 ILE 50 3HG2 ILE 50 10.777 5.491 -1.846 408 1HD1 ILE 50 1HD1 ILE 50 9.019 4.729 -1.156 409 2HD1 ILE 50 2HD1 ILE 50 9.265 3.001 -1.419 410 3HD1 ILE 50 3HD1 ILE 50 7.640 3.682 -1.486 411 H ASN 51 H ASN 51 12.502 3.174 -5.238 412 HA ASN 51 HA ASN 51 14.408 5.297 -5.252 413 1HB ASN 51 2HB ASN 51 14.837 3.041 -4.304 414 2HB ASN 51 1HB ASN 51 14.768 2.366 -5.927 415 1HD2 ASN 51 1HD2 ASN 51 16.821 1.601 -5.895 416 2HD2 ASN 51 2HD2 ASN 51 18.219 2.615 -5.939 417 H GLU 52 H GLU 52 12.665 3.576 -7.652 418 HA GLU 52 HA GLU 52 14.398 4.087 -9.869 419 1HB GLU 52 2HB GLU 52 12.798 2.205 -9.796 420 2HB GLU 52 1HB GLU 52 11.465 3.346 -9.794 421 1HG GLU 52 2HG GLU 52 12.380 4.182 -12.002 422 2HG GLU 52 1HG GLU 52 13.396 2.740 -12.000 423 H LYS 53 H LYS 53 11.127 5.277 -9.116 424 HA LYS 53 HA LYS 53 11.390 7.310 -11.150 425 1HB LYS 53 2HB LYS 53 9.094 6.894 -9.241 426 2HB LYS 53 1HB LYS 53 9.061 7.734 -10.788 427 1HG LYS 53 2HG LYS 53 9.594 5.571 -11.902 428 2HG LYS 53 1HG LYS 53 9.435 4.780 -10.331 429 1HD LYS 53 2HD LYS 53 7.106 5.686 -10.203 430 2HD LYS 53 1HD LYS 53 7.298 6.265 -11.858 431 1HE LYS 53 2HE LYS 53 7.455 3.395 -10.935 432 2HE LYS 53 1HE LYS 53 6.124 4.134 -11.824 433 1HZ LYS 53 1HZ LYS 53 7.457 2.926 -13.353 434 2HZ LYS 53 2HZ LYS 53 8.887 3.639 -12.800 435 3HZ LYS 53 3HZ LYS 53 7.748 4.566 -13.645 436 H LYS 54 H LYS 54 11.945 7.073 -7.822 437 HA LYS 54 HA LYS 54 12.534 8.520 -6.198 438 1HB LYS 54 2HB LYS 54 13.025 10.366 -8.532 439 2HB LYS 54 1HB LYS 54 13.493 10.722 -6.876 440 1HG LYS 54 2HG LYS 54 14.469 8.372 -8.487 441 2HG LYS 54 1HG LYS 54 15.350 9.879 -8.239 442 1HD LYS 54 2HD LYS 54 15.270 9.453 -5.792 443 2HD LYS 54 1HD LYS 54 14.537 7.884 -6.129 444 1HE LYS 54 2HE LYS 54 16.502 7.251 -7.440 445 2HE LYS 54 1HE LYS 54 17.237 8.815 -7.096 446 1HZ LYS 54 1HZ LYS 54 17.171 8.244 -4.724 447 2HZ LYS 54 2HZ LYS 54 18.111 7.159 -5.617 448 3HZ LYS 54 3HZ LYS 54 16.562 6.713 -5.111 449 H LEU 55 H LEU 55 10.361 8.450 -5.451 450 HA LEU 55 HA LEU 55 8.901 10.962 -5.879 451 1HB LEU 55 2HB LEU 55 6.957 9.769 -4.869 452 2HB LEU 55 1HB LEU 55 7.507 9.092 -6.385 453 HG LEU 55 HG LEU 55 8.807 7.406 -4.883 454 1HD1 LEU 55 1HD1 LEU 55 6.659 8.332 -2.975 455 2HD1 LEU 55 2HD1 LEU 55 8.398 8.520 -2.753 456 3HD1 LEU 55 3HD1 LEU 55 7.680 6.910 -2.769 457 1HD2 LEU 55 1HD2 LEU 55 5.809 7.331 -5.176 458 2HD2 LEU 55 2HD2 LEU 55 6.845 5.940 -4.855 459 3HD2 LEU 55 3HD2 LEU 55 6.989 6.815 -6.379 460 H ASN 56 H ASN 56 8.128 12.121 -4.049 461 HA ASN 56 HA ASN 56 9.712 11.608 -1.641 462 1HB ASN 56 2HB ASN 56 9.447 13.911 -1.055 463 2HB ASN 56 1HB ASN 56 9.896 13.863 -2.750 464 1HD2 ASN 56 1HD2 ASN 56 8.598 15.949 -1.238 465 2HD2 ASN 56 2HD2 ASN 56 7.079 16.254 -2.016 466 H MET 57 H MET 57 8.678 11.682 0.443 467 HA MET 57 HA MET 57 5.974 10.571 0.143 468 1HB MET 57 2HB MET 57 7.814 10.016 2.456 469 2HB MET 57 1HB MET 57 6.416 9.090 1.925 470 1HG MET 57 2HG MET 57 7.772 8.741 -0.245 471 2HG MET 57 1HG MET 57 9.152 9.233 0.729 472 1HE MET 57 1HE MET 57 5.939 6.988 1.294 473 2HE MET 57 2HE MET 57 6.679 5.390 1.188 474 3HE MET 57 3HE MET 57 6.687 6.461 -0.214 475 H MET 58 H MET 58 7.311 13.371 1.072 476 HA MET 58 HA MET 58 5.633 13.820 3.392 477 1HB MET 58 2HB MET 58 6.480 16.091 3.385 478 2HB MET 58 1HB MET 58 7.818 14.971 3.201 479 1HG MET 58 2HG MET 58 8.021 15.471 0.884 480 2HG MET 58 1HG MET 58 6.517 16.388 0.894 481 1HE MET 58 1HE MET 58 10.267 17.792 3.190 482 2HE MET 58 2HE MET 58 10.182 16.245 2.349 483 3HE MET 58 3HE MET 58 9.178 16.532 3.769 484 H ASN 59 H ASN 59 5.336 13.954 0.017 485 HA ASN 59 HA ASN 59 3.161 15.866 -0.001 486 1HB ASN 59 2HB ASN 59 4.526 14.214 -2.113 487 2HB ASN 59 1HB ASN 59 3.018 15.053 -2.456 488 1HD2 ASN 59 1HD2 ASN 59 4.030 16.315 -3.998 489 2HD2 ASN 59 2HD2 ASN 59 5.082 17.625 -3.560 490 H ALA 60 H ALA 60 1.249 14.935 -1.571 491 HA ALA 60 HA ALA 60 0.081 12.798 0.040 492 1HB ALA 60 1HB ALA 60 -1.189 14.558 -2.054 493 2HB ALA 60 2HB ALA 60 -1.218 14.845 -0.315 494 3HB ALA 60 3HB ALA 60 -2.032 13.434 -0.988 495 H GLU 61 H GLU 61 1.226 13.456 -3.161 496 HA GLU 61 HA GLU 61 -0.147 11.747 -4.775 497 1HB GLU 61 2HB GLU 61 2.812 12.344 -4.922 498 2HB GLU 61 1HB GLU 61 1.837 11.707 -6.237 499 1HG GLU 61 2HG GLU 61 1.923 13.935 -6.765 500 2HG GLU 61 1HG GLU 61 0.413 13.848 -5.862 501 H HIS 62 H HIS 62 2.594 10.854 -2.715 502 HA HIS 62 HA HIS 62 3.027 8.314 -3.842 503 1HB HIS 62 2HB HIS 62 4.447 7.845 -2.001 504 2HB HIS 62 1HB HIS 62 4.599 9.575 -2.285 505 HD1 HIS 62 1HD HIS 62 3.454 7.085 0.229 506 HD2 HIS 62 2HD HIS 62 3.433 11.209 -0.282 507 HE1 HIS 62 1HE HIS 62 2.841 8.039 2.470 508 HE2 HIS 62 2HE HIS 62 2.902 10.535 2.163 509 H ARG 63 H ARG 63 0.578 9.422 -1.658 510 HA ARG 63 HA ARG 63 0.141 6.924 -0.354 511 1HB ARG 63 2HB ARG 63 -0.559 8.937 0.767 512 2HB ARG 63 1HB ARG 63 -1.601 9.383 -0.576 513 1HG ARG 63 2HG ARG 63 -2.156 6.770 0.679 514 2HG ARG 63 1HG ARG 63 -2.482 8.199 1.664 515 1HD ARG 63 2HD ARG 63 -4.085 9.004 0.191 516 2HD ARG 63 1HD ARG 63 -3.460 8.064 -1.161 517 HE ARG 63 HE ARG 63 -4.366 6.069 0.070 518 1HH1 ARG 63 1HH1 ARG 63 -5.731 9.252 0.588 519 2HH1 ARG 63 2HH1 ARG 63 -7.328 8.652 0.906 520 1HH2 ARG 63 1HH2 ARG 63 -6.474 5.273 0.446 521 2HH2 ARG 63 2HH2 ARG 63 -7.749 6.392 0.843 522 H LYS 64 H LYS 64 -1.764 8.659 -2.844 523 HA LYS 64 HA LYS 64 -3.474 6.449 -3.275 524 1HB LYS 64 2HB LYS 64 -4.300 7.633 -5.222 525 2HB LYS 64 1HB LYS 64 -4.126 8.743 -3.873 526 1HG LYS 64 2HG LYS 64 -2.061 9.608 -4.839 527 2HG LYS 64 1HG LYS 64 -2.207 8.468 -6.180 528 1HD LYS 64 2HD LYS 64 -4.349 9.505 -6.808 529 2HD LYS 64 1HD LYS 64 -4.162 10.663 -5.492 530 1HE LYS 64 2HE LYS 64 -2.109 11.502 -6.527 531 2HE LYS 64 1HE LYS 64 -2.307 10.350 -7.847 532 1HZ LYS 64 1HZ LYS 64 -4.219 12.516 -7.154 533 2HZ LYS 64 2HZ LYS 64 -4.386 11.428 -8.437 534 3HZ LYS 64 3HZ LYS 64 -3.126 12.552 -8.442 535 H LEU 65 H LEU 65 -0.468 7.488 -4.775 536 HA LEU 65 HA LEU 65 -0.459 5.745 -6.960 537 1HB LEU 65 2HB LEU 65 1.140 7.596 -6.658 538 2HB LEU 65 1HB LEU 65 1.893 6.722 -5.338 539 HG LEU 65 HG LEU 65 2.570 4.946 -6.909 540 1HD1 LEU 65 1HD1 LEU 65 2.384 5.358 -9.328 541 2HD1 LEU 65 2HD1 LEU 65 1.375 6.765 -8.994 542 3HD1 LEU 65 3HD1 LEU 65 0.814 5.152 -8.555 543 1HD2 LEU 65 1HD2 LEU 65 4.108 6.762 -6.408 544 2HD2 LEU 65 2HD2 LEU 65 3.419 7.726 -7.714 545 3HD2 LEU 65 3HD2 LEU 65 4.289 6.237 -8.081 546 H LEU 66 H LEU 66 0.878 5.300 -3.690 547 HA LEU 66 HA LEU 66 1.784 2.667 -4.114 548 1HB LEU 66 2HB LEU 66 2.522 4.145 -2.258 549 2HB LEU 66 1HB LEU 66 0.950 3.954 -1.513 550 HG LEU 66 HG LEU 66 2.584 1.507 -2.071 551 1HD1 LEU 66 1HD1 LEU 66 2.953 3.336 0.300 552 2HD1 LEU 66 2HD1 LEU 66 4.132 3.064 -0.983 553 3HD1 LEU 66 3HD1 LEU 66 3.683 1.743 0.095 554 1HD2 LEU 66 1HD2 LEU 66 0.690 2.285 0.148 555 2HD2 LEU 66 2HD2 LEU 66 1.456 0.709 -0.059 556 3HD2 LEU 66 3HD2 LEU 66 0.284 1.283 -1.246 557 H GLU 67 H GLU 67 -1.263 3.963 -2.846 558 HA GLU 67 HA GLU 67 -2.392 1.502 -2.093 559 1HB GLU 67 2HB GLU 67 -3.253 3.705 -1.368 560 2HB GLU 67 1HB GLU 67 -3.827 4.004 -3.004 561 1HG GLU 67 2HG GLU 67 -5.363 2.146 -2.841 562 2HG GLU 67 1HG GLU 67 -4.750 1.751 -1.237 563 H GLN 68 H GLN 68 -2.523 3.311 -5.125 564 HA GLN 68 HA GLN 68 -4.318 1.638 -6.478 565 1HB GLN 68 2HB GLN 68 -2.115 3.433 -7.491 566 2HB GLN 68 1HB GLN 68 -3.217 2.579 -8.557 567 1HG GLN 68 2HG GLN 68 -5.102 3.761 -7.640 568 2HG GLN 68 1HG GLN 68 -4.072 4.540 -6.441 569 1HE2 GLN 68 1HE2 GLN 68 -5.051 4.468 -9.770 570 2HE2 GLN 68 2HE2 GLN 68 -4.306 5.957 -10.228 571 H GLU 69 H GLU 69 -0.762 1.709 -6.640 572 HA GLU 69 HA GLU 69 -0.532 -0.541 -8.310 573 1HB GLU 69 2HB GLU 69 1.421 0.758 -6.417 574 2HB GLU 69 1HB GLU 69 1.855 -0.560 -7.498 575 1HG GLU 69 2HG GLU 69 0.659 2.013 -8.474 576 2HG GLU 69 1HG GLU 69 2.396 1.774 -8.280 577 H MET 70 H MET 70 -0.503 -0.237 -4.788 578 HA MET 70 HA MET 70 0.348 -2.815 -4.142 579 1HB MET 70 2HB MET 70 0.204 -1.026 -2.486 580 2HB MET 70 1HB MET 70 -1.547 -1.007 -2.637 581 1HG MET 70 2HG MET 70 -1.679 -3.248 -1.722 582 2HG MET 70 1HG MET 70 0.078 -3.332 -1.629 583 1HE MET 70 1HE MET 70 -2.528 -0.511 0.937 584 2HE MET 70 2HE MET 70 -3.162 -1.622 -0.277 585 3HE MET 70 3HE MET 70 -2.221 -0.215 -0.774 586 H VAL 71 H VAL 71 -3.006 -1.603 -4.292 587 HA VAL 71 HA VAL 71 -4.129 -4.147 -3.748 588 HB VAL 71 HB VAL 71 -5.473 -1.770 -5.044 589 1HG1 VAL 71 1HG1 VAL 71 -6.750 -3.832 -5.302 590 2HG1 VAL 71 2HG1 VAL 71 -7.548 -2.731 -4.177 591 3HG1 VAL 71 3HG1 VAL 71 -6.649 -4.120 -3.565 592 1HG2 VAL 71 1HG2 VAL 71 -5.262 -2.517 -2.130 593 2HG2 VAL 71 2HG2 VAL 71 -6.225 -1.193 -2.786 594 3HG2 VAL 71 3HG2 VAL 71 -4.466 -1.152 -2.915 595 H SER 72 H SER 72 -3.169 -2.547 -6.700 596 HA SER 72 HA SER 72 -4.626 -4.312 -8.428 597 1HB SER 72 2HB SER 72 -3.913 -1.964 -9.023 598 2HB SER 72 1HB SER 72 -2.264 -2.573 -9.164 599 HG SER 72 HG SER 72 -2.748 -3.338 -11.050 600 H PHE 73 H PHE 73 -1.301 -4.111 -7.244 601 HA PHE 73 HA PHE 73 -0.301 -6.229 -8.853 602 1HB PHE 73 2HB PHE 73 1.120 -4.467 -7.849 603 2HB PHE 73 1HB PHE 73 0.770 -5.111 -6.251 604 HD1 PHE 73 1HD PHE 73 1.892 -7.055 -5.426 605 HD2 PHE 73 2HD PHE 73 2.528 -5.721 -9.417 606 HE1 PHE 73 1HE PHE 73 3.838 -8.548 -5.612 607 HE2 PHE 73 2HE PHE 73 4.475 -7.214 -9.609 608 HZ PHE 73 HZ PHE 73 5.131 -8.631 -7.705 609 H LEU 74 H LEU 74 -1.644 -6.040 -5.606 610 HA LEU 74 HA LEU 74 -0.964 -8.793 -5.041 611 1HB LEU 74 2HB LEU 74 -2.409 -6.694 -3.436 612 2HB LEU 74 1HB LEU 74 -2.074 -8.313 -2.854 613 HG LEU 74 HG LEU 74 0.034 -6.304 -3.658 614 1HD1 LEU 74 1HD1 LEU 74 -1.141 -5.571 -1.669 615 2HD1 LEU 74 2HD1 LEU 74 0.482 -6.125 -1.256 616 3HD1 LEU 74 3HD1 LEU 74 -0.912 -7.154 -0.927 617 1HD2 LEU 74 1HD2 LEU 74 0.253 -8.999 -2.315 618 2HD2 LEU 74 2HD2 LEU 74 1.582 -7.865 -2.558 619 3HD2 LEU 74 3HD2 LEU 74 0.781 -8.597 -3.949 620 H PHE 75 H PHE 75 -3.959 -6.912 -5.530 621 HA PHE 75 HA PHE 75 -5.482 -9.394 -5.208 622 1HB PHE 75 2HB PHE 75 -6.124 -7.332 -3.917 623 2HB PHE 75 1HB PHE 75 -6.576 -6.584 -5.449 624 HD1 PHE 75 1HD PHE 75 -7.283 -9.529 -3.297 625 HD2 PHE 75 2HD PHE 75 -8.717 -6.888 -6.309 626 HE1 PHE 75 1HE PHE 75 -9.517 -10.542 -3.114 627 HE2 PHE 75 2HE PHE 75 -10.956 -7.894 -6.132 628 HZ PHE 75 HZ PHE 75 -11.358 -9.724 -4.531 629 H GLU 76 H GLU 76 -4.626 -7.018 -7.616 630 HA GLU 76 HA GLU 76 -5.036 -6.827 -9.843 631 1HB GLU 76 2HB GLU 76 -5.390 -9.765 -9.394 632 2HB GLU 76 1HB GLU 76 -5.760 -9.082 -10.969 633 1HG GLU 76 2HG GLU 76 -3.127 -8.550 -9.648 634 2HG GLU 76 1HG GLU 76 -3.408 -10.036 -10.555 635 H GLY 77 H GLY 77 -7.167 -6.246 -7.985 636 1HA GLY 77 2HA GLY 77 -9.343 -6.210 -9.911 637 2HA GLY 77 1HA GLY 77 -9.674 -7.056 -8.406 638 H LYS 78 H LYS 78 -8.858 -3.952 -9.821 639 HA LYS 78 HA LYS 78 -9.764 -2.651 -7.342 640 1HB LYS 78 2HB LYS 78 -7.870 -1.756 -9.490 641 2HB LYS 78 1HB LYS 78 -8.633 -0.608 -8.404 642 1HG LYS 78 2HG LYS 78 -7.649 -1.893 -6.501 643 2HG LYS 78 1HG LYS 78 -6.752 -2.833 -7.697 644 1HD LYS 78 2HD LYS 78 -5.366 -1.028 -6.851 645 2HD LYS 78 1HD LYS 78 -5.740 -0.762 -8.552 646 1HE LYS 78 2HE LYS 78 -5.928 1.312 -7.301 647 2HE LYS 78 1HE LYS 78 -7.499 0.824 -7.916 648 1HZ LYS 78 1HZ LYS 78 -8.083 -0.006 -5.740 649 2HZ LYS 78 2HZ LYS 78 -7.586 1.605 -5.606 650 3HZ LYS 78 3HZ LYS 78 -6.544 0.361 -5.142 651 H ASP 79 H ASP 79 -10.692 -0.441 -7.745 652 HA ASP 79 HA ASP 79 -12.528 -0.468 -10.040 653 1HB ASP 79 2HB ASP 79 -12.693 1.425 -7.696 654 2HB ASP 79 1HB ASP 79 -13.968 0.961 -8.814 655 H VAL 80 H VAL 80 -10.217 1.426 -8.221 656 HA VAL 80 HA VAL 80 -10.240 3.691 -9.965 657 HB VAL 80 HB VAL 80 -8.125 2.922 -7.941 658 1HG1 VAL 80 1HG1 VAL 80 -8.859 5.592 -9.141 659 2HG1 VAL 80 2HG1 VAL 80 -7.406 4.653 -9.488 660 3HG1 VAL 80 3HG1 VAL 80 -7.656 5.332 -7.880 661 1HG2 VAL 80 1HG2 VAL 80 -9.316 4.333 -6.344 662 2HG2 VAL 80 2HG2 VAL 80 -10.322 2.986 -6.874 663 3HG2 VAL 80 3HG2 VAL 80 -10.596 4.602 -7.524 664 H HIS 81 H HIS 81 -9.430 3.607 -11.955 665 HA HIS 81 HA HIS 81 -7.517 1.763 -12.910 666 1HB HIS 81 2HB HIS 81 -8.657 4.342 -13.901 667 2HB HIS 81 1HB HIS 81 -7.210 3.719 -14.678 668 HD1 HIS 81 1HD HIS 81 -8.084 2.949 -16.853 669 HD2 HIS 81 2HD HIS 81 -10.378 1.576 -13.662 670 HE1 HIS 81 1HE HIS 81 -9.751 1.343 -17.852 671 HE2 HIS 81 2HE HIS 81 -11.125 0.521 -15.904 672 H ILE 82 H ILE 82 -5.290 2.008 -13.302 673 HA ILE 82 HA ILE 82 -4.009 4.144 -11.747 674 HB ILE 82 HB ILE 82 -2.599 1.765 -12.950 675 1HG1 ILE 82 2HG1 ILE 82 -3.873 1.987 -10.211 676 2HG1 ILE 82 1HG1 ILE 82 -4.378 0.905 -11.505 677 1HG2 ILE 82 1HG2 ILE 82 -1.928 3.608 -10.652 678 2HG2 ILE 82 2HG2 ILE 82 -1.182 3.618 -12.251 679 3HG2 ILE 82 3HG2 ILE 82 -0.955 2.235 -11.180 680 1HD1 ILE 82 1HD1 ILE 82 -2.298 -0.312 -11.341 681 2HD1 ILE 82 2HD1 ILE 82 -3.083 -0.233 -9.764 682 3HD1 ILE 82 3HD1 ILE 82 -1.709 0.815 -10.117 683 H GLU 83 H GLU 83 -4.299 5.783 -13.254 684 HA GLU 83 HA GLU 83 -2.469 5.725 -15.533 685 1HB GLU 83 2HB GLU 83 -5.411 6.413 -15.734 686 2HB GLU 83 1HB GLU 83 -4.232 6.774 -16.983 687 1HG GLU 83 2HG GLU 83 -3.807 4.421 -17.318 688 2HG GLU 83 1HG GLU 83 -4.889 4.013 -15.988 689 H GLY 84 H GLY 84 -4.478 7.445 -13.272 690 1HA GLY 84 2HA GLY 84 -3.458 9.431 -12.229 691 2HA GLY 84 1HA GLY 84 -2.983 9.921 -13.851 692 H TYR 85 H TYR 85 -5.290 9.316 -15.235 693 HA TYR 85 HA TYR 85 -7.554 10.567 -13.969 694 1HB TYR 85 2HB TYR 85 -7.758 12.403 -15.566 695 2HB TYR 85 1HB TYR 85 -6.229 12.524 -14.708 696 HD1 TYR 85 1HD TYR 85 -4.109 11.814 -15.895 697 HD2 TYR 85 2HD TYR 85 -7.830 12.244 -17.921 698 HE1 TYR 85 1HE TYR 85 -2.921 11.936 -18.044 699 HE2 TYR 85 2HE TYR 85 -6.648 12.362 -20.071 700 HH TYR 85 HH TYR 85 -4.313 13.043 -20.842 701 H THR 86 H THR 86 -9.488 10.290 -15.197 702 HA THR 86 HA THR 86 -9.219 8.723 -17.656 703 HB THR 86 HB THR 86 -9.614 7.028 -16.001 704 HG1 THR 86 1HG THR 86 -12.028 7.655 -17.396 705 1HG2 THR 86 1HG2 THR 86 -12.027 8.620 -15.128 706 2HG2 THR 86 2HG2 THR 86 -10.530 8.438 -14.214 707 3HG2 THR 86 3HG2 THR 86 -11.554 7.036 -14.521 708 HA PRO 87 HA PRO 87 -12.355 11.647 -18.976 709 1HB PRO 87 2HB PRO 87 -12.690 9.852 -21.274 710 2HB PRO 87 1HB PRO 87 -12.160 11.535 -21.241 711 1HG PRO 87 2HG PRO 87 -10.475 9.515 -21.808 712 2HG PRO 87 1HG PRO 87 -9.946 10.970 -20.943 713 1HD PRO 87 2HD PRO 87 -10.605 8.254 -19.863 714 2HD PRO 87 1HD PRO 87 -9.286 9.358 -19.418 715 H GLU 88 H GLU 88 -14.601 11.274 -20.126 716 HA GLU 88 HA GLU 88 -16.743 10.626 -19.896 717 1HB GLU 88 2HB GLU 88 -15.487 7.930 -19.380 718 2HB GLU 88 1HB GLU 88 -17.214 8.191 -19.582 719 1HG GLU 88 2HG GLU 88 -15.078 8.730 -21.631 720 2HG GLU 88 1HG GLU 88 -16.234 7.398 -21.639 721 H ASP 89 H ASP 89 -16.763 12.043 -18.046 722 HA ASP 89 HA ASP 89 -17.064 10.633 -15.496 723 1HB ASP 89 2HB ASP 89 -16.646 13.513 -16.217 724 2HB ASP 89 1HB ASP 89 -17.391 13.101 -14.677 725 H LYS 90 H LYS 90 -19.010 10.211 -14.695 726 HA LYS 90 HA LYS 90 -21.334 11.395 -16.037 727 1HB LYS 90 2HB LYS 90 -22.629 9.570 -14.966 728 2HB LYS 90 1HB LYS 90 -21.361 8.979 -16.029 729 1HG LYS 90 2HG LYS 90 -19.989 8.367 -14.176 730 2HG LYS 90 1HG LYS 90 -21.067 9.180 -13.040 731 1HD LYS 90 2HD LYS 90 -21.409 6.765 -12.980 732 2HD LYS 90 1HD LYS 90 -22.846 7.585 -13.589 733 1HE LYS 90 2HE LYS 90 -22.075 7.081 -15.901 734 2HE LYS 90 1HE LYS 90 -20.756 6.137 -15.211 735 1HZ LYS 90 1HZ LYS 90 -22.416 4.725 -14.132 736 2HZ LYS 90 2HZ LYS 90 -22.582 4.708 -15.812 737 3HZ LYS 90 3HZ LYS 90 -23.657 5.606 -14.866 738 H LYS 91 H LYS 91 -22.980 12.389 -14.859 739 HA LYS 91 HA LYS 91 -22.062 13.552 -12.356 740 1HB LYS 91 2HB LYS 91 -24.582 14.140 -13.921 741 2HB LYS 91 1HB LYS 91 -23.938 15.091 -12.594 742 1HG LYS 91 2HG LYS 91 -22.701 14.720 -15.317 743 2HG LYS 91 1HG LYS 91 -23.466 16.179 -14.689 744 1HD LYS 91 2HD LYS 91 -20.966 14.889 -13.599 745 2HD LYS 91 1HD LYS 91 -21.019 16.329 -14.613 746 1HE LYS 91 2HE LYS 91 -22.307 17.492 -12.879 747 2HE LYS 91 1HE LYS 91 -22.234 16.051 -11.864 748 1HZ LYS 91 1HZ LYS 91 -19.881 17.600 -12.802 749 2HZ LYS 91 2HZ LYS 91 -19.842 16.257 -11.774 750 3HZ LYS 91 3HZ LYS 91 -20.559 17.699 -11.256 Start of MODEL 11 1 1H MET 1 1HT MET 1 -2.015 -23.893 13.166 2 2H MET 1 2HT MET 1 -1.293 -22.467 13.713 3 3H MET 1 3HT MET 1 -1.371 -23.815 14.728 4 HA MET 1 HA MET 1 0.838 -23.532 13.850 5 1HB MET 1 2HB MET 1 -0.649 -25.910 12.720 6 2HB MET 1 1HB MET 1 1.100 -25.787 12.825 7 1HG MET 1 2HG MET 1 0.946 -25.661 15.254 8 2HG MET 1 1HG MET 1 -0.809 -25.781 15.149 9 1HE MET 1 1HE MET 1 -1.152 -27.939 12.773 10 2HE MET 1 2HE MET 1 -2.091 -27.897 14.264 11 3HE MET 1 3HE MET 1 -1.314 -29.394 13.755 12 H SER 2 H SER 2 -0.106 -25.305 11.080 13 HA SER 2 HA SER 2 1.087 -23.307 9.380 14 1HB SER 2 2HB SER 2 -0.071 -26.015 8.683 15 2HB SER 2 1HB SER 2 0.939 -25.012 7.638 16 HG SER 2 HG SER 2 2.670 -25.391 8.909 17 H ARG 3 H ARG 3 -0.332 -21.614 9.257 18 HA ARG 3 HA ARG 3 -3.122 -22.034 8.662 19 1HB ARG 3 2HB ARG 3 -2.355 -20.155 10.087 20 2HB ARG 3 1HB ARG 3 -1.501 -19.476 8.708 21 1HG ARG 3 2HG ARG 3 -3.703 -19.319 7.528 22 2HG ARG 3 1HG ARG 3 -4.472 -19.784 9.047 23 1HD ARG 3 2HD ARG 3 -2.708 -17.375 8.631 24 2HD ARG 3 1HD ARG 3 -4.466 -17.354 8.734 25 HE ARG 3 HE ARG 3 -3.876 -18.464 11.056 26 1HH1 ARG 3 1HH1 ARG 3 -2.355 -15.736 9.450 27 2HH1 ARG 3 2HH1 ARG 3 -1.918 -14.949 10.933 28 1HH2 ARG 3 1HH2 ARG 3 -3.307 -17.433 13.001 29 2HH2 ARG 3 2HH2 ARG 3 -2.463 -15.923 12.964 30 H THR 4 H THR 4 -3.734 -22.584 6.678 31 HA THR 4 HA THR 4 -2.214 -21.542 4.384 32 HB THR 4 HB THR 4 -3.376 -23.430 3.134 33 HG1 THR 4 1HG THR 4 -4.944 -24.231 4.354 34 1HG2 THR 4 1HG2 THR 4 -1.810 -25.132 3.952 35 2HG2 THR 4 2HG2 THR 4 -1.512 -24.163 5.395 36 3HG2 THR 4 3HG2 THR 4 -1.031 -23.557 3.809 37 H ILE 5 H ILE 5 -3.152 -20.164 3.045 38 HA ILE 5 HA ILE 5 -6.088 -20.061 2.917 39 HB ILE 5 HB ILE 5 -5.867 -17.589 2.447 40 1HG1 ILE 5 2HG1 ILE 5 -3.797 -16.580 3.648 41 2HG1 ILE 5 1HG1 ILE 5 -3.055 -18.149 3.367 42 1HG2 ILE 5 1HG2 ILE 5 -5.090 -18.580 5.183 43 2HG2 ILE 5 2HG2 ILE 5 -6.728 -18.410 4.551 44 3HG2 ILE 5 3HG2 ILE 5 -5.734 -16.979 4.824 45 1HD1 ILE 5 1HD1 ILE 5 -4.108 -16.281 1.255 46 2HD1 ILE 5 2HD1 ILE 5 -3.378 -17.859 0.963 47 3HD1 ILE 5 3HD1 ILE 5 -2.413 -16.558 1.662 48 H PHE 6 H PHE 6 -6.740 -18.780 0.838 49 HA PHE 6 HA PHE 6 -5.126 -19.843 -1.359 50 1HB PHE 6 2HB PHE 6 -7.974 -18.862 -1.226 51 2HB PHE 6 1HB PHE 6 -7.151 -19.132 -2.757 52 HD1 PHE 6 1HD PHE 6 -6.087 -21.468 -3.080 53 HD2 PHE 6 2HD PHE 6 -9.132 -20.600 -0.233 54 HE1 PHE 6 1HE PHE 6 -6.699 -23.847 -3.017 55 HE2 PHE 6 2HE PHE 6 -9.748 -22.980 -0.167 56 HZ PHE 6 HZ PHE 6 -8.531 -24.608 -1.557 57 H CYS 7 H CYS 7 -3.546 -18.469 -1.853 58 HA CYS 7 HA CYS 7 -3.864 -15.633 -1.590 59 1HB CYS 7 2HB CYS 7 -1.688 -16.762 -1.204 60 2HB CYS 7 1HB CYS 7 -1.621 -17.179 -2.911 61 HG CYS 7 HG CYS 7 -2.052 -13.913 -2.304 62 H THR 8 H THR 8 -4.456 -14.203 -3.081 63 HA THR 8 HA THR 8 -5.781 -14.999 -5.414 64 HB THR 8 HB THR 8 -5.558 -12.472 -5.975 65 HG1 THR 8 1HG THR 8 -4.373 -11.343 -4.631 66 1HG2 THR 8 1HG2 THR 8 -7.572 -13.467 -5.061 67 2HG2 THR 8 2HG2 THR 8 -7.257 -11.924 -4.270 68 3HG2 THR 8 3HG2 THR 8 -6.884 -13.437 -3.439 69 H TYR 9 H TYR 9 -2.575 -13.569 -4.978 70 HA TYR 9 HA TYR 9 -2.040 -13.312 -7.750 71 1HB TYR 9 2HB TYR 9 -0.954 -11.933 -6.001 72 2HB TYR 9 1HB TYR 9 -0.099 -13.361 -5.431 73 HD1 TYR 9 1HD TYR 9 1.981 -13.932 -6.352 74 HD2 TYR 9 2HD TYR 9 -0.531 -11.194 -8.425 75 HE1 TYR 9 1HE TYR 9 3.797 -13.484 -7.949 76 HE2 TYR 9 2HE TYR 9 1.278 -10.744 -10.030 77 HH TYR 9 HH TYR 9 4.062 -12.683 -10.244 78 H LEU 10 H LEU 10 -1.877 -15.979 -5.602 79 HA LEU 10 HA LEU 10 0.008 -17.380 -7.366 80 1HB LEU 10 2HB LEU 10 -0.869 -18.089 -4.569 81 2HB LEU 10 1HB LEU 10 0.310 -18.970 -5.522 82 HG LEU 10 HG LEU 10 0.614 -16.141 -4.503 83 1HD1 LEU 10 1HD1 LEU 10 1.988 -18.702 -3.710 84 2HD1 LEU 10 2HD1 LEU 10 0.803 -17.818 -2.750 85 3HD1 LEU 10 3HD1 LEU 10 2.370 -17.091 -3.100 86 1HD2 LEU 10 1HD2 LEU 10 2.910 -16.318 -5.352 87 2HD2 LEU 10 2HD2 LEU 10 1.720 -16.406 -6.649 88 3HD2 LEU 10 3HD2 LEU 10 2.513 -17.875 -6.080 89 H GLN 11 H GLN 11 -3.237 -17.444 -6.103 90 HA GLN 11 HA GLN 11 -5.086 -18.647 -6.642 91 1HB GLN 11 2HB GLN 11 -3.381 -19.562 -8.964 92 2HB GLN 11 1HB GLN 11 -5.083 -19.957 -8.778 93 1HG GLN 11 2HG GLN 11 -4.018 -17.150 -8.942 94 2HG GLN 11 1HG GLN 11 -4.610 -18.067 -10.323 95 1HE2 GLN 11 1HE2 GLN 11 -5.454 -16.318 -7.472 96 2HE2 GLN 11 2HE2 GLN 11 -7.163 -16.310 -7.732 97 H ARG 12 H ARG 12 -2.863 -19.711 -4.977 98 HA ARG 12 HA ARG 12 -3.675 -22.522 -4.955 99 1HB ARG 12 2HB ARG 12 -0.815 -21.547 -5.004 100 2HB ARG 12 1HB ARG 12 -1.287 -23.186 -4.589 101 1HG ARG 12 2HG ARG 12 -2.101 -23.595 -6.787 102 2HG ARG 12 1HG ARG 12 -1.921 -21.895 -7.229 103 1HD ARG 12 2HD ARG 12 -0.117 -23.353 -8.110 104 2HD ARG 12 1HD ARG 12 0.470 -22.053 -7.073 105 HE ARG 12 HE ARG 12 0.259 -24.051 -5.320 106 1HH1 ARG 12 1HH1 ARG 12 1.650 -23.974 -8.527 107 2HH1 ARG 12 2HH1 ARG 12 2.814 -25.213 -8.191 108 1HH2 ARG 12 1HH2 ARG 12 1.789 -25.675 -4.861 109 2HH2 ARG 12 2HH2 ARG 12 2.892 -26.193 -6.096 110 H ASP 13 H ASP 13 -2.464 -23.580 -2.956 111 HA ASP 13 HA ASP 13 -3.312 -22.205 -0.618 112 1HB ASP 13 2HB ASP 13 -1.682 -24.713 -1.038 113 2HB ASP 13 1HB ASP 13 -2.101 -24.107 0.555 114 H ALA 14 H ALA 14 -2.251 -20.764 0.546 115 HA ALA 14 HA ALA 14 0.684 -20.758 0.518 116 1HB ALA 14 1HB ALA 14 -1.035 -18.313 0.117 117 2HB ALA 14 2HB ALA 14 -0.049 -19.098 -1.116 118 3HB ALA 14 3HB ALA 14 0.722 -18.332 0.272 119 H GLU 15 H GLU 15 1.420 -18.999 2.242 120 HA GLU 15 HA GLU 15 0.322 -19.923 4.725 121 1HB GLU 15 2HB GLU 15 2.761 -19.444 4.309 122 2HB GLU 15 1HB GLU 15 2.359 -17.732 4.297 123 1HG GLU 15 2HG GLU 15 1.431 -18.031 6.602 124 2HG GLU 15 1HG GLU 15 2.106 -19.659 6.591 125 H GLY 16 H GLY 16 -0.785 -18.744 6.261 126 1HA GLY 16 2HA GLY 16 -2.484 -16.685 5.155 127 2HA GLY 16 1HA GLY 16 -2.654 -17.448 6.723 128 H GLN 17 H GLN 17 0.262 -15.900 5.580 129 HA GLN 17 HA GLN 17 1.332 -13.990 6.051 130 1HB GLN 17 2HB GLN 17 -1.476 -13.291 5.823 131 2HB GLN 17 1HB GLN 17 -0.559 -12.132 6.778 132 1HG GLN 17 2HG GLN 17 0.283 -13.082 4.059 133 2HG GLN 17 1HG GLN 17 -0.693 -11.644 4.337 134 1HE2 GLN 17 1HE2 GLN 17 0.890 -10.358 3.421 135 2HE2 GLN 17 2HE2 GLN 17 2.346 -9.964 4.261 136 H ASP 18 H ASP 18 0.813 -11.879 7.724 137 HA ASP 18 HA ASP 18 1.866 -13.022 10.179 138 1HB ASP 18 2HB ASP 18 2.716 -10.984 8.648 139 2HB ASP 18 1HB ASP 18 1.679 -10.087 9.752 140 H PHE 19 H PHE 19 1.266 -10.628 11.726 141 HA PHE 19 HA PHE 19 -1.611 -11.077 12.224 142 1HB PHE 19 2HB PHE 19 0.549 -10.498 14.263 143 2HB PHE 19 1HB PHE 19 -1.154 -10.772 14.609 144 HD1 PHE 19 1HD PHE 19 -2.131 -13.012 14.320 145 HD2 PHE 19 2HD PHE 19 2.038 -12.308 13.842 146 HE1 PHE 19 1HE PHE 19 -1.704 -15.426 14.519 147 HE2 PHE 19 2HE PHE 19 2.473 -14.722 14.037 148 HZ PHE 19 HZ PHE 19 0.597 -16.283 14.375 149 H GLN 20 H GLN 20 -2.395 -9.215 13.800 150 HA GLN 20 HA GLN 20 -2.081 -6.752 12.355 151 1HB GLN 20 2HB GLN 20 -3.671 -7.486 14.813 152 2HB GLN 20 1HB GLN 20 -3.697 -5.889 14.080 153 1HG GLN 20 2HG GLN 20 -4.366 -8.330 12.481 154 2HG GLN 20 1HG GLN 20 -5.569 -7.550 13.505 155 1HE2 GLN 20 1HE2 GLN 20 -3.559 -7.217 10.678 156 2HE2 GLN 20 2HE2 GLN 20 -4.390 -5.856 10.014 157 H LEU 21 H LEU 21 0.056 -6.171 12.673 158 HA LEU 21 HA LEU 21 0.827 -5.497 15.422 159 1HB LEU 21 2HB LEU 21 3.178 -5.378 14.253 160 2HB LEU 21 1HB LEU 21 2.497 -6.902 14.782 161 HG LEU 21 HG LEU 21 1.702 -7.275 12.422 162 1HD1 LEU 21 1HD1 LEU 21 1.755 -4.945 11.672 163 2HD1 LEU 21 2HD1 LEU 21 2.720 -5.997 10.635 164 3HD1 LEU 21 3HD1 LEU 21 3.514 -4.945 11.812 165 1HD2 LEU 21 1HD2 LEU 21 4.669 -6.945 12.827 166 2HD2 LEU 21 2HD2 LEU 21 3.894 -7.948 11.600 167 3HD2 LEU 21 3HD2 LEU 21 3.706 -8.341 13.308 168 H TYR 22 H TYR 22 -0.039 -4.117 12.455 169 HA TYR 22 HA TYR 22 0.528 -1.483 13.413 170 1HB TYR 22 2HB TYR 22 2.721 -2.082 12.477 171 2HB TYR 22 1HB TYR 22 1.974 -2.404 10.921 172 HD1 TYR 22 1HD TYR 22 2.249 0.336 13.441 173 HD2 TYR 22 2HD TYR 22 1.996 -0.727 9.330 174 HE1 TYR 22 1HE TYR 22 2.575 2.691 12.820 175 HE2 TYR 22 2HE TYR 22 2.321 1.627 8.695 176 HH TYR 22 HH TYR 22 1.953 3.894 9.766 177 HA PRO 23 HA PRO 23 -2.134 -1.158 9.472 178 1HB PRO 23 2HB PRO 23 -2.558 -3.767 8.308 179 2HB PRO 23 1HB PRO 23 -1.797 -2.354 7.578 180 1HG PRO 23 2HG PRO 23 -0.438 -4.637 8.201 181 2HG PRO 23 1HG PRO 23 0.311 -3.029 8.158 182 1HD PRO 23 2HD PRO 23 -0.678 -4.599 10.518 183 2HD PRO 23 1HD PRO 23 0.819 -3.664 10.339 184 H GLY 24 H GLY 24 -4.417 -1.303 9.305 185 1HA GLY 24 2HA GLY 24 -5.627 -2.904 11.447 186 2HA GLY 24 1HA GLY 24 -6.360 -1.514 10.658 187 H GLU 25 H GLU 25 -8.186 -2.227 9.776 188 HA GLU 25 HA GLU 25 -8.644 -4.872 8.944 189 1HB GLU 25 2HB GLU 25 -10.143 -2.343 8.269 190 2HB GLU 25 1HB GLU 25 -10.717 -3.966 7.915 191 1HG GLU 25 2HG GLU 25 -10.204 -2.809 10.644 192 2HG GLU 25 1HG GLU 25 -11.776 -3.107 9.907 193 H LEU 26 H LEU 26 -7.376 -2.098 7.283 194 HA LEU 26 HA LEU 26 -7.773 -2.968 4.630 195 1HB LEU 26 2HB LEU 26 -7.120 -0.675 5.210 196 2HB LEU 26 1HB LEU 26 -5.563 -1.253 5.772 197 HG LEU 26 HG LEU 26 -5.023 -1.988 3.475 198 1HD1 LEU 26 1HD1 LEU 26 -7.267 -2.390 2.649 199 2HD1 LEU 26 2HD1 LEU 26 -6.426 -1.234 1.613 200 3HD1 LEU 26 3HD1 LEU 26 -7.638 -0.669 2.763 201 1HD2 LEU 26 1HD2 LEU 26 -5.833 0.902 3.723 202 2HD2 LEU 26 2HD2 LEU 26 -4.703 0.246 2.538 203 3HD2 LEU 26 3HD2 LEU 26 -4.306 0.198 4.256 204 H GLY 27 H GLY 27 -4.976 -3.302 6.795 205 1HA GLY 27 2HA GLY 27 -3.446 -4.929 5.056 206 2HA GLY 27 1HA GLY 27 -3.229 -4.795 6.796 207 H LYS 28 H LYS 28 -5.787 -5.640 7.570 208 HA LYS 28 HA LYS 28 -5.559 -8.418 7.656 209 1HB LYS 28 2HB LYS 28 -6.801 -7.278 9.321 210 2HB LYS 28 1HB LYS 28 -7.826 -6.499 8.132 211 1HG LYS 28 2HG LYS 28 -8.888 -8.645 7.648 212 2HG LYS 28 1HG LYS 28 -7.851 -9.421 8.850 213 1HD LYS 28 2HD LYS 28 -8.835 -8.245 10.623 214 2HD LYS 28 1HD LYS 28 -9.571 -7.061 9.545 215 1HE LYS 28 2HE LYS 28 -11.023 -8.867 8.656 216 2HE LYS 28 1HE LYS 28 -10.351 -9.955 9.873 217 1HZ LYS 28 1HZ LYS 28 -11.745 -7.401 10.480 218 2HZ LYS 28 2HZ LYS 28 -11.206 -8.553 11.600 219 3HZ LYS 28 3HZ LYS 28 -12.471 -8.930 10.548 220 H ARG 29 H ARG 29 -7.615 -6.358 5.614 221 HA ARG 29 HA ARG 29 -8.919 -8.335 4.145 222 1HB ARG 29 2HB ARG 29 -9.533 -5.962 4.034 223 2HB ARG 29 1HB ARG 29 -8.002 -5.583 3.262 224 1HG ARG 29 2HG ARG 29 -8.666 -6.947 1.324 225 2HG ARG 29 1HG ARG 29 -10.221 -7.257 2.097 226 1HD ARG 29 2HD ARG 29 -10.712 -4.863 2.081 227 2HD ARG 29 1HD ARG 29 -9.144 -4.536 1.348 228 HE ARG 29 HE ARG 29 -10.727 -6.365 -0.189 229 1HH1 ARG 29 1HH1 ARG 29 -10.195 -2.962 0.481 230 2HH1 ARG 29 2HH1 ARG 29 -10.782 -2.435 -1.071 231 1HH2 ARG 29 1HH2 ARG 29 -11.500 -5.664 -2.235 232 2HH2 ARG 29 2HH2 ARG 29 -11.522 -3.969 -2.602 233 H ILE 30 H ILE 30 -5.765 -6.839 3.668 234 HA ILE 30 HA ILE 30 -5.155 -8.116 1.209 235 HB ILE 30 HB ILE 30 -3.231 -7.039 3.273 236 1HG1 ILE 30 2HG1 ILE 30 -4.840 -5.315 2.589 237 2HG1 ILE 30 1HG1 ILE 30 -3.236 -4.966 1.954 238 1HG2 ILE 30 1HG2 ILE 30 -2.140 -8.471 1.666 239 2HG2 ILE 30 2HG2 ILE 30 -1.705 -6.789 1.359 240 3HG2 ILE 30 3HG2 ILE 30 -2.891 -7.596 0.333 241 1HD1 ILE 30 1HD1 ILE 30 -3.918 -5.829 -0.225 242 2HD1 ILE 30 2HD1 ILE 30 -4.946 -4.501 0.311 243 3HD1 ILE 30 3HD1 ILE 30 -5.527 -6.162 0.417 244 H TYR 31 H TYR 31 -4.331 -8.853 4.581 245 HA TYR 31 HA TYR 31 -2.491 -10.897 4.041 246 1HB TYR 31 2HB TYR 31 -4.148 -10.343 6.499 247 2HB TYR 31 1HB TYR 31 -2.881 -11.561 6.434 248 HD1 TYR 31 1HD TYR 31 -2.777 -9.442 8.439 249 HD2 TYR 31 2HD TYR 31 -1.350 -9.427 4.426 250 HE1 TYR 31 1HE TYR 31 -1.106 -7.739 9.040 251 HE2 TYR 31 2HE TYR 31 0.321 -7.731 5.019 252 HH TYR 31 HH TYR 31 0.706 -6.028 6.696 253 H ASN 32 H ASN 32 -5.965 -10.997 4.165 254 HA ASN 32 HA ASN 32 -6.153 -13.830 4.453 255 1HB ASN 32 2HB ASN 32 -8.074 -11.683 3.634 256 2HB ASN 32 1HB ASN 32 -8.505 -13.373 3.399 257 1HD2 ASN 32 1HD2 ASN 32 -7.826 -10.877 5.723 258 2HD2 ASN 32 2HD2 ASN 32 -8.470 -11.714 7.093 259 H GLU 33 H GLU 33 -5.580 -11.723 1.759 260 HA GLU 33 HA GLU 33 -6.140 -13.922 -0.123 261 1HB GLU 33 2HB GLU 33 -5.864 -10.984 -0.760 262 2HB GLU 33 1HB GLU 33 -6.463 -12.251 -1.819 263 1HG GLU 33 2HG GLU 33 -7.808 -11.338 0.709 264 2HG GLU 33 1HG GLU 33 -8.237 -10.808 -0.912 265 H ILE 34 H ILE 34 -3.644 -11.909 1.145 266 HA ILE 34 HA ILE 34 -1.824 -12.830 -0.973 267 HB ILE 34 HB ILE 34 -1.859 -10.239 0.555 268 1HG1 ILE 34 2HG1 ILE 34 -3.239 -10.386 -1.468 269 2HG1 ILE 34 1HG1 ILE 34 -1.899 -9.265 -1.687 270 1HG2 ILE 34 1HG2 ILE 34 0.366 -11.291 -1.185 271 2HG2 ILE 34 2HG2 ILE 34 0.440 -11.041 0.559 272 3HG2 ILE 34 3HG2 ILE 34 0.260 -9.660 -0.524 273 1HD1 ILE 34 1HD1 ILE 34 -2.162 -10.592 -3.673 274 2HD1 ILE 34 2HD1 ILE 34 -2.087 -12.082 -2.735 275 3HD1 ILE 34 3HD1 ILE 34 -0.659 -11.054 -2.872 276 H SER 35 H SER 35 -0.071 -13.937 -0.407 277 HA SER 35 HA SER 35 0.299 -14.571 2.402 278 1HB SER 35 2HB SER 35 0.268 -16.268 0.444 279 2HB SER 35 1HB SER 35 1.913 -15.704 0.129 280 HG SER 35 HG SER 35 0.947 -16.792 2.572 281 H LYS 36 H LYS 36 2.894 -15.037 2.739 282 HA LYS 36 HA LYS 36 3.864 -12.390 3.095 283 1HB LYS 36 2HB LYS 36 5.034 -15.088 3.697 284 2HB LYS 36 1HB LYS 36 5.931 -13.602 3.975 285 1HG LYS 36 2HG LYS 36 4.092 -12.818 5.425 286 2HG LYS 36 1HG LYS 36 3.307 -14.384 5.212 287 1HD LYS 36 2HD LYS 36 5.084 -15.517 6.300 288 2HD LYS 36 1HD LYS 36 6.104 -14.076 6.274 289 1HE LYS 36 2HE LYS 36 3.522 -14.375 7.801 290 2HE LYS 36 1HE LYS 36 5.140 -14.479 8.492 291 1HZ LYS 36 1HZ LYS 36 4.359 -12.292 8.878 292 2HZ LYS 36 2HZ LYS 36 3.849 -12.106 7.273 293 3HZ LYS 36 3HZ LYS 36 5.499 -12.174 7.631 294 H ASP 37 H ASP 37 4.845 -15.054 0.946 295 HA ASP 37 HA ASP 37 7.170 -13.781 -0.007 296 1HB ASP 37 2HB ASP 37 6.825 -16.155 -0.401 297 2HB ASP 37 1HB ASP 37 5.417 -15.812 -1.406 298 H ALA 38 H ALA 38 3.862 -13.815 -1.271 299 HA ALA 38 HA ALA 38 4.374 -12.158 -3.498 300 1HB ALA 38 1HB ALA 38 1.796 -12.593 -1.997 301 2HB ALA 38 2HB ALA 38 2.379 -13.542 -3.364 302 3HB ALA 38 3HB ALA 38 1.944 -11.848 -3.587 303 H TRP 39 H TRP 39 3.373 -11.486 -0.188 304 HA TRP 39 HA TRP 39 2.918 -8.723 -0.445 305 1HB TRP 39 2HB TRP 39 2.211 -10.104 1.486 306 2HB TRP 39 1HB TRP 39 3.895 -10.277 1.961 307 HD1 TRP 39 HD TRP 39 4.543 -8.717 3.850 308 HE1 TRP 39 1HE TRP 39 3.761 -6.428 4.729 309 HE3 TRP 39 3HE TRP 39 0.987 -7.689 0.337 310 HZ2 TRP 39 2HZ TRP 39 1.883 -4.440 4.010 311 HZ3 TRP 39 3HZ TRP 39 -0.253 -5.570 0.500 312 HH2 TRP 39 HH TRP 39 0.186 -3.983 2.299 313 H ALA 40 H ALA 40 5.794 -10.516 0.617 314 HA ALA 40 HA ALA 40 7.448 -8.244 0.945 315 1HB ALA 40 1HB ALA 40 8.222 -11.119 0.447 316 2HB ALA 40 2HB ALA 40 7.940 -10.375 2.022 317 3HB ALA 40 3HB ALA 40 9.297 -9.847 1.026 318 H GLN 41 H GLN 41 6.691 -10.304 -1.775 319 HA GLN 41 HA GLN 41 8.728 -9.488 -3.530 320 1HB GLN 41 2HB GLN 41 7.094 -11.422 -3.809 321 2HB GLN 41 1HB GLN 41 5.917 -10.230 -4.342 322 1HG GLN 41 2HG GLN 41 7.420 -9.589 -6.169 323 2HG GLN 41 1HG GLN 41 8.563 -10.823 -5.641 324 1HE2 GLN 41 1HE2 GLN 41 8.013 -13.013 -5.879 325 2HE2 GLN 41 2HE2 GLN 41 6.781 -13.514 -6.984 326 H TRP 42 H TRP 42 5.459 -8.229 -2.960 327 HA TRP 42 HA TRP 42 5.626 -6.131 -4.854 328 1HB TRP 42 2HB TRP 42 3.467 -6.861 -4.038 329 2HB TRP 42 1HB TRP 42 3.902 -6.431 -2.387 330 HD1 TRP 42 HD TRP 42 2.643 -4.335 -1.695 331 HE1 TRP 42 1HE TRP 42 1.997 -2.101 -2.802 332 HE3 TRP 42 3HE TRP 42 4.514 -5.179 -6.377 333 HZ2 TRP 42 2HZ TRP 42 2.253 -0.862 -5.332 334 HZ3 TRP 42 3HZ TRP 42 4.277 -3.422 -8.079 335 HH2 TRP 42 HH TRP 42 3.169 -1.309 -7.568 336 H GLN 43 H GLN 43 6.333 -6.293 -1.374 337 HA GLN 43 HA GLN 43 6.929 -3.577 -0.999 338 1HB GLN 43 2HB GLN 43 8.130 -5.977 0.393 339 2HB GLN 43 1HB GLN 43 8.262 -4.316 0.951 340 1HG GLN 43 2HG GLN 43 5.768 -4.259 1.103 341 2HG GLN 43 1HG GLN 43 5.768 -5.984 0.743 342 1HE2 GLN 43 1HE2 GLN 43 6.567 -3.540 3.079 343 2HE2 GLN 43 2HE2 GLN 43 6.790 -4.608 4.421 344 H HIS 44 H HIS 44 8.976 -6.288 -1.957 345 HA HIS 44 HA HIS 44 11.413 -4.912 -2.164 346 1HB HIS 44 2HB HIS 44 11.144 -7.390 -2.184 347 2HB HIS 44 1HB HIS 44 10.453 -7.275 -3.796 348 HD1 HIS 44 1HD HIS 44 13.673 -7.279 -1.968 349 HD2 HIS 44 2HD HIS 44 12.314 -6.650 -5.842 350 HE1 HIS 44 1HE HIS 44 15.717 -7.408 -3.428 351 HE2 HIS 44 2HE HIS 44 14.890 -6.814 -5.736 352 H LYS 45 H LYS 45 8.835 -5.491 -4.510 353 HA LYS 45 HA LYS 45 10.066 -4.297 -6.743 354 1HB LYS 45 2HB LYS 45 7.739 -5.666 -6.256 355 2HB LYS 45 1HB LYS 45 7.142 -4.045 -6.565 356 1HG LYS 45 2HG LYS 45 9.048 -5.396 -8.438 357 2HG LYS 45 1HG LYS 45 7.312 -5.674 -8.524 358 1HD LYS 45 2HD LYS 45 7.007 -3.207 -8.762 359 2HD LYS 45 1HD LYS 45 8.762 -3.052 -8.857 360 1HE LYS 45 2HE LYS 45 8.859 -4.317 -10.858 361 2HE LYS 45 1HE LYS 45 7.182 -4.835 -10.695 362 1HZ LYS 45 1HZ LYS 45 6.483 -2.550 -11.052 363 2HZ LYS 45 2HZ LYS 45 7.405 -3.105 -12.352 364 3HZ LYS 45 3HZ LYS 45 8.092 -2.058 -11.222 365 H GLN 46 H GLN 46 7.864 -3.022 -4.272 366 HA GLN 46 HA GLN 46 7.660 -0.428 -5.351 367 1HB GLN 46 2HB GLN 46 6.040 -1.304 -3.745 368 2HB GLN 46 1HB GLN 46 7.282 -1.358 -2.501 369 1HG GLN 46 2HG GLN 46 5.851 0.568 -2.202 370 2HG GLN 46 1HG GLN 46 7.493 1.069 -2.596 371 1HE2 GLN 46 1HE2 GLN 46 6.849 3.065 -3.346 372 2HE2 GLN 46 2HE2 GLN 46 6.007 3.279 -4.840 373 H THR 47 H THR 47 9.936 -1.876 -3.076 374 HA THR 47 HA THR 47 11.244 0.441 -2.222 375 HB THR 47 HB THR 47 12.518 -2.248 -2.797 376 HG1 THR 47 1HG THR 47 10.640 -2.230 -1.324 377 1HG2 THR 47 1HG2 THR 47 14.138 -1.588 -1.069 378 2HG2 THR 47 2HG2 THR 47 13.353 -0.014 -0.932 379 3HG2 THR 47 3HG2 THR 47 14.162 -0.470 -2.433 380 H MET 48 H MET 48 11.793 -1.603 -5.057 381 HA MET 48 HA MET 48 13.879 -0.123 -6.215 382 1HB MET 48 2HB MET 48 13.307 -2.393 -6.917 383 2HB MET 48 1HB MET 48 11.740 -1.842 -7.488 384 1HG MET 48 2HG MET 48 12.791 -0.532 -9.220 385 2HG MET 48 1HG MET 48 14.390 -0.973 -8.620 386 1HE MET 48 1HE MET 48 15.226 -1.899 -10.952 387 2HE MET 48 2HE MET 48 13.706 -1.300 -11.612 388 3HE MET 48 3HE MET 48 14.241 -2.939 -11.981 389 H LEU 49 H LEU 49 10.363 0.043 -6.613 390 HA LEU 49 HA LEU 49 10.273 1.971 -8.636 391 1HB LEU 49 2HB LEU 49 8.275 1.500 -6.424 392 2HB LEU 49 1HB LEU 49 7.964 2.370 -7.915 393 HG LEU 49 HG LEU 49 8.642 -0.564 -7.702 394 1HD1 LEU 49 1HD1 LEU 49 6.343 -0.921 -8.431 395 2HD1 LEU 49 2HD1 LEU 49 6.056 0.819 -8.389 396 3HD1 LEU 49 3HD1 LEU 49 6.399 -0.053 -6.896 397 1HD2 LEU 49 1HD2 LEU 49 9.507 0.397 -9.753 398 2HD2 LEU 49 2HD2 LEU 49 7.937 1.124 -10.093 399 3HD2 LEU 49 3HD2 LEU 49 8.112 -0.629 -10.092 400 H ILE 50 H ILE 50 10.227 2.386 -5.108 401 HA ILE 50 HA ILE 50 9.920 5.180 -5.066 402 HB ILE 50 HB ILE 50 11.345 3.394 -3.083 403 1HG1 ILE 50 2HG1 ILE 50 8.520 4.483 -3.088 404 2HG1 ILE 50 1HG1 ILE 50 8.972 2.825 -3.464 405 1HG2 ILE 50 1HG2 ILE 50 12.032 5.708 -2.807 406 2HG2 ILE 50 2HG2 ILE 50 10.997 5.208 -1.469 407 3HG2 ILE 50 3HG2 ILE 50 10.344 6.221 -2.756 408 1HD1 ILE 50 1HD1 ILE 50 9.381 4.196 -0.818 409 2HD1 ILE 50 2HD1 ILE 50 9.806 2.527 -1.200 410 3HD1 ILE 50 3HD1 ILE 50 8.114 3.029 -1.201 411 H ASN 51 H ASN 51 12.779 3.137 -5.218 412 HA ASN 51 HA ASN 51 14.694 5.194 -4.903 413 1HB ASN 51 2HB ASN 51 15.264 2.883 -4.473 414 2HB ASN 51 1HB ASN 51 14.886 2.436 -6.131 415 1HD2 ASN 51 1HD2 ASN 51 16.900 1.604 -6.497 416 2HD2 ASN 51 2HD2 ASN 51 18.299 2.595 -6.695 417 H GLU 52 H GLU 52 13.166 3.732 -7.723 418 HA GLU 52 HA GLU 52 14.886 5.037 -9.596 419 1HB GLU 52 2HB GLU 52 12.285 3.560 -9.965 420 2HB GLU 52 1HB GLU 52 13.277 4.160 -11.287 421 1HG GLU 52 2HG GLU 52 14.084 2.111 -9.238 422 2HG GLU 52 1HG GLU 52 13.674 1.805 -10.925 423 H LYS 53 H LYS 53 11.607 5.668 -8.387 424 HA LYS 53 HA LYS 53 11.356 7.876 -10.281 425 1HB LYS 53 2HB LYS 53 9.355 6.699 -8.356 426 2HB LYS 53 1HB LYS 53 9.021 8.042 -9.440 427 1HG LYS 53 2HG LYS 53 9.734 6.452 -11.320 428 2HG LYS 53 1HG LYS 53 9.547 5.177 -10.112 429 1HD LYS 53 2HD LYS 53 7.380 7.168 -10.740 430 2HD LYS 53 1HD LYS 53 7.537 5.629 -11.583 431 1HE LYS 53 2HE LYS 53 7.330 5.825 -8.591 432 2HE LYS 53 1HE LYS 53 5.914 5.706 -9.633 433 1HZ LYS 53 1HZ LYS 53 6.651 3.548 -8.765 434 2HZ LYS 53 2HZ LYS 53 8.126 3.728 -9.577 435 3HZ LYS 53 3HZ LYS 53 6.688 3.607 -10.454 436 H LYS 54 H LYS 54 12.356 7.440 -7.100 437 HA LYS 54 HA LYS 54 12.646 8.771 -5.288 438 1HB LYS 54 2HB LYS 54 12.836 10.827 -7.481 439 2HB LYS 54 1HB LYS 54 13.113 11.216 -5.791 440 1HG LYS 54 2HG LYS 54 14.907 9.460 -5.783 441 2HG LYS 54 1HG LYS 54 14.707 9.360 -7.536 442 1HD LYS 54 2HD LYS 54 15.240 11.724 -7.750 443 2HD LYS 54 1HD LYS 54 15.380 11.867 -5.998 444 1HE LYS 54 2HE LYS 54 17.582 11.707 -6.933 445 2HE LYS 54 1HE LYS 54 17.230 10.217 -6.062 446 1HZ LYS 54 1HZ LYS 54 17.030 10.576 -9.000 447 2HZ LYS 54 2HZ LYS 54 16.734 9.143 -8.159 448 3HZ LYS 54 3HZ LYS 54 18.292 9.795 -8.195 449 H LEU 55 H LEU 55 10.492 8.287 -4.551 450 HA LEU 55 HA LEU 55 8.716 10.621 -4.759 451 1HB LEU 55 2HB LEU 55 6.810 9.099 -4.480 452 2HB LEU 55 1HB LEU 55 7.729 8.773 -5.933 453 HG LEU 55 HG LEU 55 8.885 6.952 -4.404 454 1HD1 LEU 55 1HD1 LEU 55 7.798 7.498 -2.341 455 2HD1 LEU 55 2HD1 LEU 55 7.206 5.930 -2.890 456 3HD1 LEU 55 3HD1 LEU 55 6.208 7.368 -3.091 457 1HD2 LEU 55 1HD2 LEU 55 7.224 5.324 -5.203 458 2HD2 LEU 55 2HD2 LEU 55 7.697 6.470 -6.455 459 3HD2 LEU 55 3HD2 LEU 55 6.148 6.654 -5.633 460 H ASN 56 H ASN 56 7.753 11.407 -2.931 461 HA ASN 56 HA ASN 56 8.909 10.579 -0.411 462 1HB ASN 56 2HB ASN 56 6.981 12.788 -1.135 463 2HB ASN 56 1HB ASN 56 7.501 12.465 0.514 464 1HD2 ASN 56 1HD2 ASN 56 10.208 11.758 -0.226 465 2HD2 ASN 56 2HD2 ASN 56 10.995 13.234 -0.657 466 H MET 57 H MET 57 7.902 9.496 1.187 467 HA MET 57 HA MET 57 5.535 8.027 0.433 468 1HB MET 57 2HB MET 57 7.345 7.898 2.833 469 2HB MET 57 1HB MET 57 5.941 6.861 2.638 470 1HG MET 57 2HG MET 57 7.902 6.921 0.424 471 2HG MET 57 1HG MET 57 8.393 6.136 1.920 472 1HE MET 57 1HE MET 57 5.841 6.183 -1.035 473 2HE MET 57 2HE MET 57 4.701 6.221 0.312 474 3HE MET 57 3HE MET 57 4.825 4.782 -0.702 475 H MET 58 H MET 58 6.217 10.806 2.326 476 HA MET 58 HA MET 58 3.996 10.584 4.118 477 1HB MET 58 2HB MET 58 5.566 13.040 3.314 478 2HB MET 58 1HB MET 58 4.447 12.940 4.662 479 1HG MET 58 2HG MET 58 6.531 12.743 5.654 480 2HG MET 58 1HG MET 58 5.966 11.077 5.540 481 1HE MET 58 1HE MET 58 9.154 12.983 2.798 482 2HE MET 58 2HE MET 58 8.355 13.805 4.138 483 3HE MET 58 3HE MET 58 7.447 13.409 2.681 484 H ASN 59 H ASN 59 4.536 11.985 0.972 485 HA ASN 59 HA ASN 59 2.239 13.615 0.876 486 1HB ASN 59 2HB ASN 59 3.795 12.363 -1.396 487 2HB ASN 59 1HB ASN 59 2.574 13.614 -1.584 488 1HD2 ASN 59 1HD2 ASN 59 3.916 15.124 -2.448 489 2HD2 ASN 59 2HD2 ASN 59 5.195 15.879 -1.551 490 H ALA 60 H ALA 60 0.183 13.167 0.562 491 HA ALA 60 HA ALA 60 -0.838 10.559 0.510 492 1HB ALA 60 1HB ALA 60 -2.234 13.089 -0.357 493 2HB ALA 60 2HB ALA 60 -2.111 12.517 1.306 494 3HB ALA 60 3HB ALA 60 -3.005 11.574 0.113 495 H GLU 61 H GLU 61 0.194 12.700 -1.986 496 HA GLU 61 HA GLU 61 -0.933 11.757 -4.300 497 1HB GLU 61 2HB GLU 61 2.028 12.279 -3.979 498 2HB GLU 61 1HB GLU 61 1.071 12.443 -5.442 499 1HG GLU 61 2HG GLU 61 -0.109 14.336 -4.485 500 2HG GLU 61 1HG GLU 61 0.789 14.147 -2.978 501 H HIS 62 H HIS 62 2.110 10.554 -2.914 502 HA HIS 62 HA HIS 62 2.094 8.296 -4.714 503 1HB HIS 62 2HB HIS 62 4.041 8.833 -2.462 504 2HB HIS 62 1HB HIS 62 4.286 7.794 -3.862 505 HD1 HIS 62 1HD HIS 62 4.365 9.150 -6.243 506 HD2 HIS 62 2HD HIS 62 4.961 11.356 -2.768 507 HE1 HIS 62 1HE HIS 62 5.431 11.297 -6.984 508 HE2 HIS 62 2HE HIS 62 5.569 12.703 -4.899 509 H ARG 63 H ARG 63 1.042 8.987 -1.537 510 HA ARG 63 HA ARG 63 1.184 6.410 -0.394 511 1HB ARG 63 2HB ARG 63 0.756 8.473 0.904 512 2HB ARG 63 1HB ARG 63 -0.818 8.614 0.136 513 1HG ARG 63 2HG ARG 63 -1.063 7.703 2.349 514 2HG ARG 63 1HG ARG 63 -1.490 6.481 1.151 515 1HD ARG 63 2HD ARG 63 -0.162 5.490 2.918 516 2HD ARG 63 1HD ARG 63 0.733 5.468 1.401 517 HE ARG 63 HE ARG 63 1.768 7.634 2.405 518 1HH1 ARG 63 1HH1 ARG 63 0.856 4.764 4.195 519 2HH1 ARG 63 2HH1 ARG 63 2.088 4.970 5.396 520 1HH2 ARG 63 1HH2 ARG 63 3.398 7.899 3.976 521 2HH2 ARG 63 2HH2 ARG 63 3.531 6.755 5.274 522 H LYS 64 H LYS 64 -1.488 8.085 -2.100 523 HA LYS 64 HA LYS 64 -3.115 5.742 -2.112 524 1HB LYS 64 2HB LYS 64 -4.579 6.968 -3.665 525 2HB LYS 64 1HB LYS 64 -4.181 7.916 -2.242 526 1HG LYS 64 2HG LYS 64 -2.671 9.275 -3.468 527 2HG LYS 64 1HG LYS 64 -2.765 8.217 -4.877 528 1HD LYS 64 2HD LYS 64 -5.041 8.837 -5.272 529 2HD LYS 64 1HD LYS 64 -5.128 9.703 -3.741 530 1HE LYS 64 2HE LYS 64 -3.296 10.453 -6.011 531 2HE LYS 64 1HE LYS 64 -4.883 11.172 -5.739 532 1HZ LYS 64 1HZ LYS 64 -3.036 12.493 -4.816 533 2HZ LYS 64 2HZ LYS 64 -2.672 11.219 -3.764 534 3HZ LYS 64 3HZ LYS 64 -4.156 12.016 -3.641 535 H LEU 65 H LEU 65 -0.695 7.060 -4.257 536 HA LEU 65 HA LEU 65 -1.154 5.466 -6.511 537 1HB LEU 65 2HB LEU 65 0.480 7.271 -6.517 538 2HB LEU 65 1HB LEU 65 1.453 6.427 -5.330 539 HG LEU 65 HG LEU 65 1.871 4.629 -6.987 540 1HD1 LEU 65 1HD1 LEU 65 0.452 6.483 -8.897 541 2HD1 LEU 65 2HD1 LEU 65 -0.126 4.907 -8.353 542 3HD1 LEU 65 3HD1 LEU 65 1.332 5.018 -9.337 543 1HD2 LEU 65 1HD2 LEU 65 3.418 5.922 -8.377 544 2HD2 LEU 65 2HD2 LEU 65 3.483 6.425 -6.688 545 3HD2 LEU 65 3HD2 LEU 65 2.625 7.414 -7.870 546 H LEU 66 H LEU 66 0.953 4.849 -3.709 547 HA LEU 66 HA LEU 66 1.679 2.234 -4.349 548 1HB LEU 66 2HB LEU 66 2.839 3.429 -2.628 549 2HB LEU 66 1HB LEU 66 1.370 3.625 -1.691 550 HG LEU 66 HG LEU 66 1.322 1.204 -1.261 551 1HD1 LEU 66 1HD1 LEU 66 3.941 1.171 -2.746 552 2HD1 LEU 66 2HD1 LEU 66 2.438 0.402 -3.254 553 3HD1 LEU 66 3HD1 LEU 66 3.275 -0.166 -1.810 554 1HD2 LEU 66 1HD2 LEU 66 2.431 2.706 0.317 555 2HD2 LEU 66 2HD2 LEU 66 3.951 2.500 -0.556 556 3HD2 LEU 66 3HD2 LEU 66 3.214 1.126 0.269 557 H GLU 67 H GLU 67 -1.081 3.446 -2.497 558 HA GLU 67 HA GLU 67 -2.096 0.992 -1.635 559 1HB GLU 67 2HB GLU 67 -2.820 3.194 -0.786 560 2HB GLU 67 1HB GLU 67 -3.615 3.510 -2.319 561 1HG GLU 67 2HG GLU 67 -5.148 1.673 -1.936 562 2HG GLU 67 1HG GLU 67 -4.323 1.280 -0.429 563 H GLN 68 H GLN 68 -3.000 2.915 -4.488 564 HA GLN 68 HA GLN 68 -4.909 1.171 -5.531 565 1HB GLN 68 2HB GLN 68 -3.109 3.209 -6.816 566 2HB GLN 68 1HB GLN 68 -4.290 2.301 -7.746 567 1HG GLN 68 2HG GLN 68 -6.096 3.228 -6.502 568 2HG GLN 68 1HG GLN 68 -4.990 3.966 -5.344 569 1HE2 GLN 68 1HE2 GLN 68 -3.856 5.797 -5.924 570 2HE2 GLN 68 2HE2 GLN 68 -4.280 6.759 -7.298 571 H GLU 69 H GLU 69 -1.449 1.426 -6.330 572 HA GLU 69 HA GLU 69 -1.439 -0.677 -8.211 573 1HB GLU 69 2HB GLU 69 0.754 0.598 -6.586 574 2HB GLU 69 1HB GLU 69 1.064 -0.669 -7.766 575 1HG GLU 69 2HG GLU 69 -0.344 1.897 -8.440 576 2HG GLU 69 1HG GLU 69 1.403 1.684 -8.570 577 H MET 70 H MET 70 -1.010 -0.616 -4.729 578 HA MET 70 HA MET 70 -0.033 -3.232 -4.396 579 1HB MET 70 2HB MET 70 0.047 -1.583 -2.599 580 2HB MET 70 1HB MET 70 -1.706 -1.533 -2.538 581 1HG MET 70 2HG MET 70 -1.738 -3.883 -1.827 582 2HG MET 70 1HG MET 70 0.026 -3.894 -1.841 583 1HE MET 70 1HE MET 70 1.526 -2.468 -0.213 584 2HE MET 70 2HE MET 70 0.896 -1.375 1.018 585 3HE MET 70 3HE MET 70 0.710 -0.981 -0.689 586 H VAL 71 H VAL 71 -3.354 -1.954 -4.236 587 HA VAL 71 HA VAL 71 -4.493 -4.543 -3.808 588 HB VAL 71 HB VAL 71 -5.981 -2.097 -4.773 589 1HG1 VAL 71 1HG1 VAL 71 -6.826 -4.476 -3.119 590 2HG1 VAL 71 2HG1 VAL 71 -7.259 -4.165 -4.802 591 3HG1 VAL 71 3HG1 VAL 71 -7.847 -3.097 -3.527 592 1HG2 VAL 71 1HG2 VAL 71 -4.630 -1.466 -2.838 593 2HG2 VAL 71 2HG2 VAL 71 -5.274 -2.835 -1.933 594 3HG2 VAL 71 3HG2 VAL 71 -6.344 -1.521 -2.422 595 H SER 72 H SER 72 -3.294 -2.967 -6.557 596 HA SER 72 HA SER 72 -4.947 -4.493 -8.401 597 1HB SER 72 2HB SER 72 -2.598 -2.651 -8.898 598 2HB SER 72 1HB SER 72 -3.576 -3.408 -10.157 599 HG SER 72 HG SER 72 -4.257 -1.384 -8.329 600 H PHE 73 H PHE 73 -1.411 -4.216 -7.854 601 HA PHE 73 HA PHE 73 -0.719 -6.355 -9.517 602 1HB PHE 73 2HB PHE 73 0.861 -4.615 -8.762 603 2HB PHE 73 1HB PHE 73 0.795 -5.268 -7.131 604 HD1 PHE 73 1HD PHE 73 1.842 -6.000 -10.597 605 HD2 PHE 73 2HD PHE 73 2.149 -7.093 -6.495 606 HE1 PHE 73 1HE PHE 73 3.696 -7.522 -11.144 607 HE2 PHE 73 2HE PHE 73 4.004 -8.615 -7.033 608 HZ PHE 73 HZ PHE 73 4.780 -8.833 -9.362 609 H LEU 74 H LEU 74 -1.557 -6.300 -6.106 610 HA LEU 74 HA LEU 74 -0.791 -9.105 -5.839 611 1HB LEU 74 2HB LEU 74 -1.557 -6.987 -3.847 612 2HB LEU 74 1HB LEU 74 -1.305 -8.664 -3.406 613 HG LEU 74 HG LEU 74 0.781 -6.840 -4.602 614 1HD1 LEU 74 1HD1 LEU 74 0.424 -7.888 -1.799 615 2HD1 LEU 74 2HD1 LEU 74 0.213 -6.218 -2.322 616 3HD1 LEU 74 3HD1 LEU 74 1.809 -6.967 -2.380 617 1HD2 LEU 74 1HD2 LEU 74 0.973 -9.667 -3.568 618 2HD2 LEU 74 2HD2 LEU 74 2.337 -8.661 -4.048 619 3HD2 LEU 74 3HD2 LEU 74 1.142 -9.155 -5.248 620 H PHE 75 H PHE 75 -3.626 -7.019 -5.560 621 HA PHE 75 HA PHE 75 -5.197 -9.292 -4.576 622 1HB PHE 75 2HB PHE 75 -5.017 -6.911 -3.497 623 2HB PHE 75 1HB PHE 75 -6.198 -6.470 -4.722 624 HD1 PHE 75 1HD PHE 75 -8.313 -8.046 -4.823 625 HD2 PHE 75 2HD PHE 75 -5.744 -7.626 -1.461 626 HE1 PHE 75 1HE PHE 75 -10.126 -8.803 -3.348 627 HE2 PHE 75 2HE PHE 75 -7.551 -8.391 0.022 628 HZ PHE 75 HZ PHE 75 -9.747 -8.978 -0.922 629 H GLU 76 H GLU 76 -5.241 -6.797 -7.079 630 HA GLU 76 HA GLU 76 -6.555 -6.355 -8.846 631 1HB GLU 76 2HB GLU 76 -6.278 -9.318 -8.967 632 2HB GLU 76 1HB GLU 76 -7.372 -8.521 -10.091 633 1HG GLU 76 2HG GLU 76 -4.445 -7.899 -9.745 634 2HG GLU 76 1HG GLU 76 -5.153 -8.844 -11.054 635 H GLY 77 H GLY 77 -7.845 -6.888 -6.169 636 1HA GLY 77 2HA GLY 77 -10.605 -6.940 -7.224 637 2HA GLY 77 1HA GLY 77 -10.178 -7.453 -5.592 638 H LYS 78 H LYS 78 -8.984 -4.714 -7.406 639 HA LYS 78 HA LYS 78 -9.166 -3.005 -5.158 640 1HB LYS 78 2HB LYS 78 -8.506 -1.229 -6.874 641 2HB LYS 78 1HB LYS 78 -7.375 -2.542 -6.585 642 1HG LYS 78 2HG LYS 78 -7.808 -3.541 -8.635 643 2HG LYS 78 1HG LYS 78 -9.345 -2.698 -8.831 644 1HD LYS 78 2HD LYS 78 -8.222 -0.615 -9.230 645 2HD LYS 78 1HD LYS 78 -6.661 -1.331 -8.829 646 1HE LYS 78 2HE LYS 78 -8.378 -2.258 -11.122 647 2HE LYS 78 1HE LYS 78 -7.117 -1.037 -11.285 648 1HZ LYS 78 1HZ LYS 78 -6.203 -3.129 -11.900 649 2HZ LYS 78 2HZ LYS 78 -6.770 -3.879 -10.498 650 3HZ LYS 78 3HZ LYS 78 -5.541 -2.720 -10.396 651 H ASP 79 H ASP 79 -10.775 -1.890 -4.465 652 HA ASP 79 HA ASP 79 -13.141 -1.443 -6.062 653 1HB ASP 79 2HB ASP 79 -13.963 -0.314 -3.962 654 2HB ASP 79 1HB ASP 79 -13.514 -2.004 -3.759 655 H VAL 80 H VAL 80 -10.249 0.164 -5.288 656 HA VAL 80 HA VAL 80 -11.241 2.774 -6.091 657 HB VAL 80 HB VAL 80 -8.390 1.940 -5.509 658 1HG1 VAL 80 1HG1 VAL 80 -9.677 4.665 -5.672 659 2HG1 VAL 80 2HG1 VAL 80 -8.558 3.967 -6.842 660 3HG1 VAL 80 3HG1 VAL 80 -8.004 4.343 -5.211 661 1HG2 VAL 80 1HG2 VAL 80 -10.407 3.231 -3.674 662 2HG2 VAL 80 2HG2 VAL 80 -8.707 2.949 -3.303 663 3HG2 VAL 80 3HG2 VAL 80 -9.794 1.584 -3.548 664 H HIS 81 H HIS 81 -11.368 3.306 -8.157 665 HA HIS 81 HA HIS 81 -10.173 1.601 -10.164 666 1HB HIS 81 2HB HIS 81 -11.960 4.026 -10.406 667 2HB HIS 81 1HB HIS 81 -11.432 3.033 -11.763 668 HD1 HIS 81 1HD HIS 81 -13.876 3.182 -8.996 669 HD2 HIS 81 2HD HIS 81 -12.572 0.409 -11.803 670 HE1 HIS 81 1HE HIS 81 -15.574 1.331 -8.955 671 HE2 HIS 81 2HE HIS 81 -14.862 -0.239 -10.789 672 H ILE 82 H ILE 82 -8.449 2.050 -11.383 673 HA ILE 82 HA ILE 82 -6.944 4.454 -10.648 674 HB ILE 82 HB ILE 82 -5.922 1.990 -12.065 675 1HG1 ILE 82 2HG1 ILE 82 -5.735 2.738 -9.138 676 2HG1 ILE 82 1HG1 ILE 82 -6.714 1.433 -9.799 677 1HG2 ILE 82 1HG2 ILE 82 -4.547 3.910 -12.495 678 2HG2 ILE 82 2HG2 ILE 82 -3.714 2.872 -11.336 679 3HG2 ILE 82 3HG2 ILE 82 -4.531 4.334 -10.784 680 1HD1 ILE 82 1HD1 ILE 82 -3.710 1.603 -9.908 681 2HD1 ILE 82 2HD1 ILE 82 -4.699 0.284 -10.535 682 3HD1 ILE 82 3HD1 ILE 82 -4.652 0.603 -8.802 683 H GLU 83 H GLU 83 -7.249 6.082 -12.002 684 HA GLU 83 HA GLU 83 -6.471 5.729 -14.762 685 1HB GLU 83 2HB GLU 83 -8.908 5.345 -14.857 686 2HB GLU 83 1HB GLU 83 -9.178 6.896 -14.073 687 1HG GLU 83 2HG GLU 83 -8.090 8.010 -15.986 688 2HG GLU 83 1HG GLU 83 -7.953 6.446 -16.783 689 H GLY 84 H GLY 84 -8.121 8.112 -12.699 690 1HA GLY 84 2HA GLY 84 -5.781 9.831 -12.756 691 2HA GLY 84 1HA GLY 84 -7.207 10.464 -13.564 692 H TYR 85 H TYR 85 -7.992 11.996 -12.281 693 HA TYR 85 HA TYR 85 -8.755 11.195 -9.570 694 1HB TYR 85 2HB TYR 85 -6.681 12.506 -9.358 695 2HB TYR 85 1HB TYR 85 -7.421 13.824 -10.259 696 HD1 TYR 85 1HD TYR 85 -8.643 15.481 -9.137 697 HD2 TYR 85 2HD TYR 85 -7.764 11.827 -7.139 698 HE1 TYR 85 1HE TYR 85 -9.500 16.426 -7.037 699 HE2 TYR 85 2HE TYR 85 -8.628 12.762 -5.036 700 HH TYR 85 HH TYR 85 -10.404 15.672 -4.908 701 H THR 86 H THR 86 -10.889 11.346 -9.490 702 HA THR 86 HA THR 86 -12.214 13.297 -11.219 703 HB THR 86 HB THR 86 -12.980 11.025 -11.534 704 HG1 THR 86 1HG THR 86 -15.252 11.712 -10.274 705 1HG2 THR 86 1HG2 THR 86 -14.089 9.754 -9.764 706 2HG2 THR 86 2HG2 THR 86 -13.724 11.033 -8.608 707 3HG2 THR 86 3HG2 THR 86 -12.414 10.105 -9.337 708 HA PRO 87 HA PRO 87 -12.940 15.684 -7.474 709 1HB PRO 87 2HB PRO 87 -14.201 17.619 -9.249 710 2HB PRO 87 1HB PRO 87 -12.732 17.790 -8.290 711 1HG PRO 87 2HG PRO 87 -12.728 17.651 -11.002 712 2HG PRO 87 1HG PRO 87 -11.379 17.082 -10.000 713 1HD PRO 87 2HD PRO 87 -13.550 15.511 -11.339 714 2HD PRO 87 1HD PRO 87 -11.824 15.131 -11.164 715 H GLU 88 H GLU 88 -15.426 16.206 -9.969 716 HA GLU 88 HA GLU 88 -17.683 16.068 -9.972 717 1HB GLU 88 2HB GLU 88 -17.129 13.909 -7.939 718 2HB GLU 88 1HB GLU 88 -18.731 14.249 -8.586 719 1HG GLU 88 2HG GLU 88 -18.018 13.696 -10.802 720 2HG GLU 88 1HG GLU 88 -16.346 13.523 -10.266 721 H ASP 89 H ASP 89 -16.120 17.641 -7.827 722 HA ASP 89 HA ASP 89 -18.384 18.177 -6.035 723 1HB ASP 89 2HB ASP 89 -16.249 17.557 -4.933 724 2HB ASP 89 1HB ASP 89 -15.464 18.928 -5.709 725 H LYS 90 H LYS 90 -19.091 20.306 -5.758 726 HA LYS 90 HA LYS 90 -18.235 22.134 -7.896 727 1HB LYS 90 2HB LYS 90 -20.619 22.925 -7.958 728 2HB LYS 90 1HB LYS 90 -20.359 21.294 -8.559 729 1HG LYS 90 2HG LYS 90 -21.128 20.404 -6.395 730 2HG LYS 90 1HG LYS 90 -21.455 22.055 -5.860 731 1HD LYS 90 2HD LYS 90 -23.065 22.341 -7.655 732 2HD LYS 90 1HD LYS 90 -22.706 20.724 -8.262 733 1HE LYS 90 2HE LYS 90 -23.840 21.347 -5.541 734 2HE LYS 90 1HE LYS 90 -24.781 20.815 -6.930 735 1HZ LYS 90 1HZ LYS 90 -22.636 19.267 -5.578 736 2HZ LYS 90 2HZ LYS 90 -23.479 18.762 -6.952 737 3HZ LYS 90 3HZ LYS 90 -24.298 18.965 -5.490 738 H LYS 91 H LYS 91 -17.707 21.796 -4.902 739 HA LYS 91 HA LYS 91 -18.580 24.397 -3.916 740 1HB LYS 91 2HB LYS 91 -17.056 22.124 -2.639 741 2HB LYS 91 1HB LYS 91 -17.364 23.656 -1.829 742 1HG LYS 91 2HG LYS 91 -19.711 23.281 -1.842 743 2HG LYS 91 1HG LYS 91 -19.541 21.890 -2.914 744 1HD LYS 91 2HD LYS 91 -19.927 21.218 -0.582 745 2HD LYS 91 1HD LYS 91 -18.367 20.663 -1.187 746 1HE LYS 91 2HE LYS 91 -17.295 22.600 -0.083 747 2HE LYS 91 1HE LYS 91 -18.862 23.049 0.589 748 1HZ LYS 91 1HZ LYS 91 -17.358 20.548 1.122 749 2HZ LYS 91 2HZ LYS 91 -18.918 20.863 1.688 750 3HZ LYS 91 3HZ LYS 91 -17.625 21.817 2.207 Start of MODEL 12 1 1H MET 1 1HT MET 1 0.776 -20.459 14.196 2 2H MET 1 2HT MET 1 2.160 -21.351 13.818 3 3H MET 1 3HT MET 1 1.288 -21.702 15.222 4 HA MET 1 HA MET 1 0.876 -23.331 13.490 5 1HB MET 1 2HB MET 1 -1.386 -21.530 14.337 6 2HB MET 1 1HB MET 1 -1.673 -22.972 13.375 7 1HG MET 1 2HG MET 1 -0.334 -22.928 16.067 8 2HG MET 1 1HG MET 1 -2.021 -23.343 15.773 9 1HE MET 1 1HE MET 1 -0.417 -26.814 16.650 10 2HE MET 1 2HE MET 1 -1.688 -25.655 17.045 11 3HE MET 1 3HE MET 1 0.003 -25.249 17.348 12 H SER 2 H SER 2 0.157 -23.828 11.416 13 HA SER 2 HA SER 2 0.727 -21.911 9.405 14 1HB SER 2 2HB SER 2 -0.641 -24.601 9.143 15 2HB SER 2 1HB SER 2 0.110 -23.684 7.839 16 HG SER 2 HG SER 2 1.296 -25.481 9.170 17 H ARG 3 H ARG 3 -0.669 -21.000 7.857 18 HA ARG 3 HA ARG 3 -3.543 -21.199 8.404 19 1HB ARG 3 2HB ARG 3 -2.802 -19.089 9.374 20 2HB ARG 3 1HB ARG 3 -2.018 -18.644 7.867 21 1HG ARG 3 2HG ARG 3 -4.171 -17.496 8.215 22 2HG ARG 3 1HG ARG 3 -4.145 -18.480 6.748 23 1HD ARG 3 2HD ARG 3 -5.315 -20.273 7.964 24 2HD ARG 3 1HD ARG 3 -5.375 -19.249 9.396 25 HE ARG 3 HE ARG 3 -6.571 -17.714 7.536 26 1HH1 ARG 3 1HH1 ARG 3 -7.049 -21.046 8.498 27 2HH1 ARG 3 2HH1 ARG 3 -8.736 -21.052 8.100 28 1HH2 ARG 3 1HH2 ARG 3 -8.813 -17.717 7.025 29 2HH2 ARG 3 2HH2 ARG 3 -9.741 -19.160 7.281 30 H THR 4 H THR 4 -3.997 -22.466 6.661 31 HA THR 4 HA THR 4 -2.858 -21.891 4.081 32 HB THR 4 HB THR 4 -5.033 -23.852 4.816 33 HG1 THR 4 1HG THR 4 -2.369 -24.570 4.240 34 1HG2 THR 4 1HG2 THR 4 -3.303 -23.617 2.351 35 2HG2 THR 4 2HG2 THR 4 -5.040 -23.330 2.440 36 3HG2 THR 4 3HG2 THR 4 -4.399 -24.953 2.698 37 H ILE 5 H ILE 5 -3.550 -20.186 3.014 38 HA ILE 5 HA ILE 5 -6.453 -19.882 2.630 39 HB ILE 5 HB ILE 5 -6.017 -17.426 2.269 40 1HG1 ILE 5 2HG1 ILE 5 -3.920 -16.674 3.681 41 2HG1 ILE 5 1HG1 ILE 5 -3.305 -18.259 3.233 42 1HG2 ILE 5 1HG2 ILE 5 -5.499 -18.564 5.007 43 2HG2 ILE 5 2HG2 ILE 5 -7.068 -18.195 4.289 44 3HG2 ILE 5 3HG2 ILE 5 -5.946 -16.890 4.678 45 1HD1 ILE 5 1HD1 ILE 5 -3.595 -17.678 0.865 46 2HD1 ILE 5 2HD1 ILE 5 -2.494 -16.584 1.704 47 3HD1 ILE 5 3HD1 ILE 5 -4.143 -16.072 1.346 48 H PHE 6 H PHE 6 -7.006 -18.902 0.508 49 HA PHE 6 HA PHE 6 -5.094 -19.739 -1.532 50 1HB PHE 6 2HB PHE 6 -8.007 -18.962 -1.694 51 2HB PHE 6 1HB PHE 6 -7.012 -19.255 -3.117 52 HD1 PHE 6 1HD PHE 6 -8.852 -20.749 -0.389 53 HD2 PHE 6 2HD PHE 6 -6.080 -21.508 -3.527 54 HE1 PHE 6 1HE PHE 6 -9.318 -23.157 -0.213 55 HE2 PHE 6 2HE PHE 6 -6.543 -23.919 -3.358 56 HZ PHE 6 HZ PHE 6 -8.165 -24.745 -1.701 57 H CYS 7 H CYS 7 -3.700 -18.330 -2.241 58 HA CYS 7 HA CYS 7 -4.026 -15.531 -1.662 59 1HB CYS 7 2HB CYS 7 -1.833 -16.662 -1.433 60 2HB CYS 7 1HB CYS 7 -1.814 -16.942 -3.170 61 HG CYS 7 HG CYS 7 -2.195 -13.746 -2.182 62 H THR 8 H THR 8 -4.421 -13.899 -3.040 63 HA THR 8 HA THR 8 -5.982 -14.381 -5.305 64 HB THR 8 HB THR 8 -5.468 -11.862 -5.722 65 HG1 THR 8 1HG THR 8 -4.148 -10.944 -4.326 66 1HG2 THR 8 1HG2 THR 8 -6.996 -11.226 -3.896 67 2HG2 THR 8 2HG2 THR 8 -6.761 -12.815 -3.162 68 3HG2 THR 8 3HG2 THR 8 -7.545 -12.679 -4.734 69 H TYR 9 H TYR 9 -2.667 -13.056 -5.166 70 HA TYR 9 HA TYR 9 -2.493 -12.951 -8.012 71 1HB TYR 9 2HB TYR 9 -1.279 -11.414 -6.420 72 2HB TYR 9 1HB TYR 9 -0.195 -12.754 -6.057 73 HD1 TYR 9 1HD TYR 9 -1.470 -10.701 -8.878 74 HD2 TYR 9 2HD TYR 9 1.701 -13.108 -7.390 75 HE1 TYR 9 1HE TYR 9 -0.099 -10.083 -10.820 76 HE2 TYR 9 2HE TYR 9 3.081 -12.498 -9.330 77 HH TYR 9 HH TYR 9 2.300 -9.960 -11.413 78 H LEU 10 H LEU 10 -1.422 -15.239 -5.570 79 HA LEU 10 HA LEU 10 0.194 -16.735 -7.426 80 1HB LEU 10 2HB LEU 10 -0.746 -17.491 -4.660 81 2HB LEU 10 1HB LEU 10 0.482 -18.324 -5.590 82 HG LEU 10 HG LEU 10 0.703 -15.495 -4.552 83 1HD1 LEU 10 1HD1 LEU 10 0.812 -17.123 -2.758 84 2HD1 LEU 10 2HD1 LEU 10 2.414 -16.447 -3.063 85 3HD1 LEU 10 3HD1 LEU 10 2.010 -18.059 -3.653 86 1HD2 LEU 10 1HD2 LEU 10 3.031 -15.651 -5.285 87 2HD2 LEU 10 2HD2 LEU 10 1.918 -15.809 -6.644 88 3HD2 LEU 10 3HD2 LEU 10 2.707 -17.239 -5.977 89 H GLN 11 H GLN 11 -3.078 -16.796 -6.273 90 HA GLN 11 HA GLN 11 -4.918 -17.938 -6.916 91 1HB GLN 11 2HB GLN 11 -3.107 -18.514 -9.233 92 2HB GLN 11 1HB GLN 11 -4.695 -19.259 -9.135 93 1HG GLN 11 2HG GLN 11 -4.170 -16.298 -9.081 94 2HG GLN 11 1HG GLN 11 -4.665 -17.221 -10.500 95 1HE2 GLN 11 1HE2 GLN 11 -5.662 -15.809 -7.511 96 2HE2 GLN 11 2HE2 GLN 11 -7.361 -16.106 -7.692 97 H ARG 12 H ARG 12 -2.674 -19.217 -5.327 98 HA ARG 12 HA ARG 12 -3.837 -21.905 -5.353 99 1HB ARG 12 2HB ARG 12 -0.875 -21.328 -5.146 100 2HB ARG 12 1HB ARG 12 -1.618 -22.900 -4.915 101 1HG ARG 12 2HG ARG 12 -2.458 -22.744 -7.275 102 2HG ARG 12 1HG ARG 12 -1.445 -21.310 -7.459 103 1HD ARG 12 2HD ARG 12 -0.301 -23.300 -8.283 104 2HD ARG 12 1HD ARG 12 0.530 -22.634 -6.875 105 HE ARG 12 HE ARG 12 -1.385 -24.690 -6.236 106 1HH1 ARG 12 1HH1 ARG 12 1.929 -24.066 -7.180 107 2HH1 ARG 12 2HH1 ARG 12 2.528 -25.550 -6.514 108 1HH2 ARG 12 1HH2 ARG 12 -0.595 -26.618 -5.335 109 2HH2 ARG 12 2HH2 ARG 12 1.095 -26.994 -5.447 110 H ASP 13 H ASP 13 -2.833 -23.078 -3.272 111 HA ASP 13 HA ASP 13 -3.667 -21.432 -1.064 112 1HB ASP 13 2HB ASP 13 -3.444 -23.416 0.301 113 2HB ASP 13 1HB ASP 13 -4.284 -23.834 -1.185 114 H ALA 14 H ALA 14 -2.449 -20.626 0.543 115 HA ALA 14 HA ALA 14 0.369 -21.215 0.775 116 1HB ALA 14 1HB ALA 14 0.394 -19.578 -1.034 117 2HB ALA 14 2HB ALA 14 1.093 -18.892 0.434 118 3HB ALA 14 3HB ALA 14 -0.548 -18.459 -0.048 119 H GLU 15 H GLU 15 1.277 -19.484 2.465 120 HA GLU 15 HA GLU 15 -0.418 -19.773 4.779 121 1HB GLU 15 2HB GLU 15 2.000 -20.194 4.905 122 2HB GLU 15 1HB GLU 15 2.316 -18.524 4.465 123 1HG GLU 15 2HG GLU 15 1.331 -17.753 6.525 124 2HG GLU 15 1HG GLU 15 0.889 -19.406 6.961 125 H GLY 16 H GLY 16 -1.543 -18.208 5.796 126 1HA GLY 16 2HA GLY 16 -2.077 -15.778 4.367 127 2HA GLY 16 1HA GLY 16 -2.819 -16.287 5.876 128 H GLN 17 H GLN 17 0.369 -15.312 4.707 129 HA GLN 17 HA GLN 17 1.988 -13.997 5.557 130 1HB GLN 17 2HB GLN 17 -0.507 -12.432 5.678 131 2HB GLN 17 1HB GLN 17 0.876 -11.764 6.530 132 1HG GLN 17 2HG GLN 17 2.200 -11.949 4.460 133 2HG GLN 17 1HG GLN 17 0.756 -12.513 3.624 134 1HE2 GLN 17 1HE2 GLN 17 2.284 -9.803 5.182 135 2HE2 GLN 17 2HE2 GLN 17 1.256 -8.589 4.513 136 H ASP 18 H ASP 18 0.184 -12.392 7.975 137 HA ASP 18 HA ASP 18 1.397 -13.928 10.123 138 1HB ASP 18 2HB ASP 18 2.968 -12.040 8.985 139 2HB ASP 18 1HB ASP 18 2.096 -11.034 10.135 140 H PHE 19 H PHE 19 1.157 -12.003 12.150 141 HA PHE 19 HA PHE 19 -1.753 -11.762 12.243 142 1HB PHE 19 2HB PHE 19 -1.506 -11.376 14.637 143 2HB PHE 19 1HB PHE 19 -0.620 -12.816 14.161 144 HD1 PHE 19 1HD PHE 19 -0.287 -9.299 15.215 145 HD2 PHE 19 2HD PHE 19 1.727 -12.965 14.451 146 HE1 PHE 19 1HE PHE 19 1.722 -8.419 16.326 147 HE2 PHE 19 2HE PHE 19 3.746 -12.091 15.556 148 HZ PHE 19 HZ PHE 19 3.741 -9.814 16.498 149 H GLN 20 H GLN 20 -2.630 -9.777 13.386 150 HA GLN 20 HA GLN 20 -1.828 -7.465 11.890 151 1HB GLN 20 2HB GLN 20 -3.916 -7.855 14.037 152 2HB GLN 20 1HB GLN 20 -3.678 -6.349 13.162 153 1HG GLN 20 2HG GLN 20 -4.372 -8.979 11.883 154 2HG GLN 20 1HG GLN 20 -5.536 -7.719 12.293 155 1HE2 GLN 20 1HE2 GLN 20 -5.541 -5.806 11.126 156 2HE2 GLN 20 2HE2 GLN 20 -4.772 -5.673 9.588 157 H LEU 21 H LEU 21 0.081 -6.625 12.496 158 HA LEU 21 HA LEU 21 0.707 -6.304 15.312 159 1HB LEU 21 2HB LEU 21 2.913 -5.736 14.654 160 2HB LEU 21 1HB LEU 21 2.416 -7.097 13.673 161 HG LEU 21 HG LEU 21 2.349 -4.249 12.673 162 1HD1 LEU 21 1HD1 LEU 21 4.517 -6.317 12.347 163 2HD1 LEU 21 2HD1 LEU 21 4.633 -4.826 13.283 164 3HD1 LEU 21 3HD1 LEU 21 4.449 -4.755 11.530 165 1HD2 LEU 21 1HD2 LEU 21 0.941 -5.726 11.394 166 2HD2 LEU 21 2HD2 LEU 21 2.229 -6.925 11.287 167 3HD2 LEU 21 3HD2 LEU 21 2.396 -5.375 10.463 168 H TYR 22 H TYR 22 -0.823 -4.475 12.937 169 HA TYR 22 HA TYR 22 -0.850 -2.145 14.585 170 1HB TYR 22 2HB TYR 22 1.238 -1.600 13.640 171 2HB TYR 22 1HB TYR 22 0.740 -2.096 12.028 172 HD1 TYR 22 1HD TYR 22 0.029 0.453 14.657 173 HD2 TYR 22 2HD TYR 22 -0.051 -0.506 10.514 174 HE1 TYR 22 1HE TYR 22 -0.615 2.771 14.138 175 HE2 TYR 22 2HE TYR 22 -0.688 1.806 9.985 176 HH TYR 22 HH TYR 22 -1.757 3.710 11.067 177 HA PRO 23 HA PRO 23 -3.508 -1.104 10.772 178 1HB PRO 23 2HB PRO 23 -3.636 -3.372 8.967 179 2HB PRO 23 1HB PRO 23 -3.084 -1.727 8.649 180 1HG PRO 23 2HG PRO 23 -1.409 -3.868 8.693 181 2HG PRO 23 1HG PRO 23 -0.900 -2.227 9.129 182 1HD PRO 23 2HD PRO 23 -1.636 -4.521 10.912 183 2HD PRO 23 1HD PRO 23 -0.306 -3.354 11.070 184 H GLY 24 H GLY 24 -5.678 -1.763 9.802 185 1HA GLY 24 2HA GLY 24 -6.964 -3.764 11.553 186 2HA GLY 24 1HA GLY 24 -7.730 -2.259 11.070 187 H GLU 25 H GLU 25 -9.004 -2.274 9.325 188 HA GLU 25 HA GLU 25 -9.752 -4.720 8.169 189 1HB GLU 25 2HB GLU 25 -11.230 -3.423 6.737 190 2HB GLU 25 1HB GLU 25 -11.282 -2.811 8.382 191 1HG GLU 25 2HG GLU 25 -10.848 -0.783 7.622 192 2HG GLU 25 1HG GLU 25 -9.286 -1.351 7.031 193 H LEU 26 H LEU 26 -7.639 -2.149 6.974 194 HA LEU 26 HA LEU 26 -7.377 -3.208 4.352 195 1HB LEU 26 2HB LEU 26 -6.865 -0.862 4.907 196 2HB LEU 26 1HB LEU 26 -5.512 -1.392 5.889 197 HG LEU 26 HG LEU 26 -4.429 -2.315 3.860 198 1HD1 LEU 26 1HD1 LEU 26 -6.433 -2.726 2.532 199 2HD1 LEU 26 2HD1 LEU 26 -5.286 -1.711 1.661 200 3HD1 LEU 26 3HD1 LEU 26 -6.713 -0.989 2.406 201 1HD2 LEU 26 1HD2 LEU 26 -5.184 0.601 3.713 202 2HD2 LEU 26 2HD2 LEU 26 -3.819 -0.153 2.889 203 3HD2 LEU 26 3HD2 LEU 26 -3.857 -0.088 4.650 204 H GLY 27 H GLY 27 -5.545 -3.542 7.337 205 1HA GLY 27 2HA GLY 27 -3.402 -5.052 6.348 206 2HA GLY 27 1HA GLY 27 -3.994 -5.094 8.002 207 H LYS 28 H LYS 28 -6.394 -6.194 7.915 208 HA LYS 28 HA LYS 28 -5.817 -8.920 7.568 209 1HB LYS 28 2HB LYS 28 -8.468 -7.520 7.909 210 2HB LYS 28 1HB LYS 28 -8.273 -9.268 7.929 211 1HG LYS 28 2HG LYS 28 -6.721 -9.021 9.835 212 2HG LYS 28 1HG LYS 28 -7.078 -7.293 9.859 213 1HD LYS 28 2HD LYS 28 -8.459 -8.321 11.503 214 2HD LYS 28 1HD LYS 28 -9.498 -7.901 10.138 215 1HE LYS 28 2HE LYS 28 -9.425 -10.199 9.347 216 2HE LYS 28 1HE LYS 28 -8.316 -10.632 10.648 217 1HZ LYS 28 1HZ LYS 28 -10.036 -10.096 12.249 218 2HZ LYS 28 2HZ LYS 28 -10.588 -11.266 11.160 219 3HZ LYS 28 3HZ LYS 28 -11.097 -9.662 11.004 220 H ARG 29 H ARG 29 -7.468 -6.598 5.522 221 HA ARG 29 HA ARG 29 -8.595 -8.273 3.622 222 1HB ARG 29 2HB ARG 29 -8.863 -5.796 3.743 223 2HB ARG 29 1HB ARG 29 -7.236 -5.622 3.102 224 1HG ARG 29 2HG ARG 29 -7.935 -6.762 1.046 225 2HG ARG 29 1HG ARG 29 -9.575 -6.888 1.692 226 1HD ARG 29 2HD ARG 29 -8.051 -4.368 1.046 227 2HD ARG 29 1HD ARG 29 -9.476 -4.995 0.219 228 HE ARG 29 HE ARG 29 -9.404 -3.703 2.848 229 1HH1 ARG 29 1HH1 ARG 29 -11.265 -5.182 0.285 230 2HH1 ARG 29 2HH1 ARG 29 -12.785 -4.580 0.865 231 1HH2 ARG 29 1HH2 ARG 29 -11.385 -2.888 3.614 232 2HH2 ARG 29 2HH2 ARG 29 -12.853 -3.264 2.750 233 H ILE 30 H ILE 30 -5.283 -7.024 3.811 234 HA ILE 30 HA ILE 30 -4.481 -8.399 1.404 235 HB ILE 30 HB ILE 30 -2.777 -7.019 3.490 236 1HG1 ILE 30 2HG1 ILE 30 -3.829 -5.971 0.854 237 2HG1 ILE 30 1HG1 ILE 30 -4.459 -5.528 2.435 238 1HG2 ILE 30 1HG2 ILE 30 -1.075 -6.933 1.750 239 2HG2 ILE 30 2HG2 ILE 30 -2.142 -7.794 0.643 240 3HG2 ILE 30 3HG2 ILE 30 -1.535 -8.601 2.090 241 1HD1 ILE 30 1HD1 ILE 30 -2.979 -3.816 1.552 242 2HD1 ILE 30 2HD1 ILE 30 -1.671 -4.991 1.440 243 3HD1 ILE 30 3HD1 ILE 30 -2.313 -4.535 3.017 244 H TYR 31 H TYR 31 -3.973 -8.774 4.886 245 HA TYR 31 HA TYR 31 -2.010 -10.782 4.702 246 1HB TYR 31 2HB TYR 31 -3.739 -9.751 6.913 247 2HB TYR 31 1HB TYR 31 -2.762 -11.191 7.169 248 HD1 TYR 31 1HD TYR 31 -0.847 -10.746 8.358 249 HD2 TYR 31 2HD TYR 31 -2.184 -7.869 5.530 250 HE1 TYR 31 1HE TYR 31 1.106 -9.344 8.868 251 HE2 TYR 31 2HE TYR 31 -0.236 -6.460 6.033 252 HH TYR 31 HH TYR 31 1.371 -6.111 7.834 253 H ASN 32 H ASN 32 -5.385 -11.077 4.221 254 HA ASN 32 HA ASN 32 -5.259 -13.907 4.990 255 1HB ASN 32 2HB ASN 32 -7.554 -13.932 5.290 256 2HB ASN 32 1HB ASN 32 -7.163 -12.283 5.755 257 1HD2 ASN 32 1HD2 ASN 32 -7.771 -10.582 4.408 258 2HD2 ASN 32 2HD2 ASN 32 -8.919 -10.792 3.123 259 H GLU 33 H GLU 33 -4.971 -11.975 2.263 260 HA GLU 33 HA GLU 33 -5.670 -14.257 0.536 261 1HB GLU 33 2HB GLU 33 -6.176 -11.325 0.010 262 2HB GLU 33 1HB GLU 33 -6.315 -12.578 -1.218 263 1HG GLU 33 2HG GLU 33 -8.053 -13.676 0.046 264 2HG GLU 33 1HG GLU 33 -7.879 -12.502 1.346 265 H ILE 34 H ILE 34 -3.249 -12.273 1.614 266 HA ILE 34 HA ILE 34 -1.595 -12.931 -0.721 267 HB ILE 34 HB ILE 34 -1.520 -10.509 1.065 268 1HG1 ILE 34 2HG1 ILE 34 -2.965 -10.432 -0.922 269 2HG1 ILE 34 1HG1 ILE 34 -1.630 -9.295 -1.051 270 1HG2 ILE 34 1HG2 ILE 34 0.638 -11.388 -0.845 271 2HG2 ILE 34 2HG2 ILE 34 0.768 -11.323 0.912 272 3HG2 ILE 34 3HG2 ILE 34 0.569 -9.834 -0.014 273 1HD1 ILE 34 1HD1 ILE 34 -1.850 -11.967 -2.415 274 2HD1 ILE 34 2HD1 ILE 34 -0.438 -10.912 -2.484 275 3HD1 ILE 34 3HD1 ILE 34 -1.976 -10.376 -3.166 276 H SER 35 H SER 35 0.251 -14.018 -0.368 277 HA SER 35 HA SER 35 0.745 -14.948 2.347 278 1HB SER 35 2HB SER 35 0.563 -16.562 0.417 279 2HB SER 35 1HB SER 35 2.059 -15.873 -0.214 280 HG SER 35 HG SER 35 1.669 -17.240 2.238 281 H LYS 36 H LYS 36 3.046 -15.170 2.997 282 HA LYS 36 HA LYS 36 4.328 -12.700 3.117 283 1HB LYS 36 2HB LYS 36 5.396 -15.483 3.598 284 2HB LYS 36 1HB LYS 36 6.306 -14.023 3.952 285 1HG LYS 36 2HG LYS 36 4.638 -13.345 5.574 286 2HG LYS 36 1HG LYS 36 3.657 -14.755 5.177 287 1HD LYS 36 2HD LYS 36 5.356 -16.237 5.993 288 2HD LYS 36 1HD LYS 36 6.469 -14.893 6.247 289 1HE LYS 36 2HE LYS 36 3.823 -15.188 7.657 290 2HE LYS 36 1HE LYS 36 5.352 -15.749 8.321 291 1HZ LYS 36 1HZ LYS 36 6.166 -13.451 8.196 292 2HZ LYS 36 2HZ LYS 36 4.820 -13.597 9.212 293 3HZ LYS 36 3HZ LYS 36 4.644 -12.948 7.658 294 H ASP 37 H ASP 37 4.726 -15.370 0.872 295 HA ASP 37 HA ASP 37 7.161 -14.577 -0.279 296 1HB ASP 37 2HB ASP 37 6.230 -16.804 -0.641 297 2HB ASP 37 1HB ASP 37 4.866 -16.110 -1.513 298 H ALA 38 H ALA 38 3.840 -14.065 -1.479 299 HA ALA 38 HA ALA 38 4.583 -12.351 -3.589 300 1HB ALA 38 1HB ALA 38 1.948 -12.569 -2.136 301 2HB ALA 38 2HB ALA 38 2.434 -13.491 -3.556 302 3HB ALA 38 3HB ALA 38 2.201 -11.747 -3.675 303 H TRP 39 H TRP 39 3.644 -11.766 -0.254 304 HA TRP 39 HA TRP 39 3.448 -8.972 -0.345 305 1HB TRP 39 2HB TRP 39 2.595 -10.337 1.506 306 2HB TRP 39 1HB TRP 39 4.237 -10.781 1.950 307 HD1 TRP 39 HD TRP 39 5.278 -9.361 3.800 308 HE1 TRP 39 1HE TRP 39 4.777 -7.078 4.872 309 HE3 TRP 39 3HE TRP 39 1.495 -7.828 0.718 310 HZ2 TRP 39 2HZ TRP 39 3.023 -4.910 4.459 311 HZ3 TRP 39 3HZ TRP 39 0.465 -5.629 1.124 312 HH2 TRP 39 HH TRP 39 1.212 -4.204 2.959 313 H ALA 40 H ALA 40 6.195 -11.053 0.586 314 HA ALA 40 HA ALA 40 7.971 -8.923 1.138 315 1HB ALA 40 1HB ALA 40 8.283 -11.222 1.973 316 2HB ALA 40 2HB ALA 40 9.716 -10.592 1.162 317 3HB ALA 40 3HB ALA 40 8.668 -11.745 0.335 318 H GLN 41 H GLN 41 7.299 -10.762 -1.791 319 HA GLN 41 HA GLN 41 9.413 -9.703 -3.323 320 1HB GLN 41 2HB GLN 41 6.800 -10.985 -4.063 321 2HB GLN 41 1HB GLN 41 7.867 -10.325 -5.294 322 1HG GLN 41 2HG GLN 41 9.674 -11.793 -4.404 323 2HG GLN 41 1HG GLN 41 8.469 -12.538 -3.353 324 1HE2 GLN 41 1HE2 GLN 41 6.937 -13.902 -4.228 325 2HE2 GLN 41 2HE2 GLN 41 7.030 -14.495 -5.846 326 H TRP 42 H TRP 42 5.988 -8.699 -3.043 327 HA TRP 42 HA TRP 42 6.347 -6.561 -4.890 328 1HB TRP 42 2HB TRP 42 4.130 -7.614 -4.397 329 2HB TRP 42 1HB TRP 42 4.146 -6.789 -2.838 330 HD1 TRP 42 HD TRP 42 2.759 -4.627 -2.899 331 HE1 TRP 42 1HE TRP 42 2.230 -2.825 -4.659 332 HE3 TRP 42 3HE TRP 42 5.428 -6.508 -6.843 333 HZ2 TRP 42 2HZ TRP 42 2.856 -2.271 -7.352 334 HZ3 TRP 42 3HZ TRP 42 5.416 -5.274 -8.971 335 HH2 TRP 42 HH TRP 42 4.155 -3.198 -9.219 336 H GLN 43 H GLN 43 6.460 -6.767 -1.346 337 HA GLN 43 HA GLN 43 6.701 -4.047 -0.789 338 1HB GLN 43 2HB GLN 43 7.699 -6.523 0.535 339 2HB GLN 43 1HB GLN 43 8.404 -4.993 1.036 340 1HG GLN 43 2HG GLN 43 6.059 -4.180 1.439 341 2HG GLN 43 1HG GLN 43 5.533 -5.848 1.203 342 1HE2 GLN 43 1HE2 GLN 43 5.463 -4.105 3.597 343 2HE2 GLN 43 2HE2 GLN 43 6.310 -4.978 4.825 344 H HIS 44 H HIS 44 9.185 -6.394 -1.652 345 HA HIS 44 HA HIS 44 11.352 -4.579 -1.456 346 1HB HIS 44 2HB HIS 44 11.332 -7.165 -1.393 347 2HB HIS 44 1HB HIS 44 11.362 -7.064 -3.147 348 HD1 HIS 44 1HD HIS 44 13.515 -7.037 -0.223 349 HD2 HIS 44 2HD HIS 44 13.748 -5.708 -4.153 350 HE1 HIS 44 1HE HIS 44 15.957 -6.637 -0.657 351 HE2 HIS 44 2HE HIS 44 16.067 -5.777 -3.022 352 H LYS 45 H LYS 45 9.469 -5.825 -4.198 353 HA LYS 45 HA LYS 45 10.947 -4.501 -6.211 354 1HB LYS 45 2HB LYS 45 9.485 -6.419 -6.676 355 2HB LYS 45 1HB LYS 45 8.077 -5.458 -6.245 356 1HG LYS 45 2HG LYS 45 8.264 -5.600 -8.637 357 2HG LYS 45 1HG LYS 45 8.561 -3.941 -8.123 358 1HD LYS 45 2HD LYS 45 10.155 -4.546 -9.827 359 2HD LYS 45 1HD LYS 45 10.997 -4.371 -8.286 360 1HE LYS 45 2HE LYS 45 10.964 -6.799 -8.003 361 2HE LYS 45 1HE LYS 45 10.111 -6.969 -9.534 362 1HZ LYS 45 1HZ LYS 45 12.863 -5.929 -9.140 363 2HZ LYS 45 2HZ LYS 45 12.046 -5.925 -10.619 364 3HZ LYS 45 3HZ LYS 45 12.426 -7.391 -9.872 365 H GLN 46 H GLN 46 7.991 -3.611 -4.452 366 HA GLN 46 HA GLN 46 7.502 -1.251 -5.923 367 1HB GLN 46 2HB GLN 46 5.797 -2.398 -4.534 368 2HB GLN 46 1HB GLN 46 6.661 -1.885 -3.091 369 1HG GLN 46 2HG GLN 46 4.774 -0.450 -3.477 370 2HG GLN 46 1HG GLN 46 6.268 0.456 -3.704 371 1HE2 GLN 46 1HE2 GLN 46 5.234 2.001 -4.953 372 2HE2 GLN 46 2HE2 GLN 46 4.703 1.695 -6.571 373 H THR 47 H THR 47 9.481 -1.956 -3.100 374 HA THR 47 HA THR 47 10.071 0.691 -2.357 375 HB THR 47 HB THR 47 11.854 -1.749 -2.140 376 HG1 THR 47 1HG THR 47 9.878 -1.999 -1.018 377 1HG2 THR 47 1HG2 THR 47 13.131 0.318 -1.878 378 2HG2 THR 47 2HG2 THR 47 12.968 -0.507 -0.328 379 3HG2 THR 47 3HG2 THR 47 11.968 0.900 -0.686 380 H MET 48 H MET 48 11.581 -1.486 -4.709 381 HA MET 48 HA MET 48 13.576 0.204 -5.685 382 1HB MET 48 2HB MET 48 13.436 -2.121 -6.370 383 2HB MET 48 1HB MET 48 11.871 -1.845 -7.119 384 1HG MET 48 2HG MET 48 13.468 -1.979 -8.856 385 2HG MET 48 1HG MET 48 13.004 -0.286 -8.713 386 1HE MET 48 1HE MET 48 15.793 -2.964 -8.122 387 2HE MET 48 2HE MET 48 15.454 -2.436 -6.476 388 3HE MET 48 3HE MET 48 17.004 -2.050 -7.223 389 H LEU 49 H LEU 49 10.218 -0.199 -6.780 390 HA LEU 49 HA LEU 49 10.228 1.757 -8.772 391 1HB LEU 49 2HB LEU 49 8.124 0.396 -7.177 392 2HB LEU 49 1HB LEU 49 7.661 1.834 -8.061 393 HG LEU 49 HG LEU 49 8.422 0.782 -10.159 394 1HD1 LEU 49 1HD1 LEU 49 8.923 -1.621 -10.192 395 2HD1 LEU 49 2HD1 LEU 49 8.932 -1.629 -8.429 396 3HD1 LEU 49 3HD1 LEU 49 10.136 -0.691 -9.313 397 1HD2 LEU 49 1HD2 LEU 49 6.611 -0.829 -10.344 398 2HD2 LEU 49 2HD2 LEU 49 6.093 0.603 -9.455 399 3HD2 LEU 49 3HD2 LEU 49 6.466 -0.887 -8.588 400 H ILE 50 H ILE 50 9.518 2.046 -5.321 401 HA ILE 50 HA ILE 50 8.595 4.673 -5.268 402 HB ILE 50 HB ILE 50 10.204 3.151 -3.212 403 1HG1 ILE 50 2HG1 ILE 50 7.256 3.819 -3.367 404 2HG1 ILE 50 1HG1 ILE 50 7.963 2.254 -3.752 405 1HG2 ILE 50 1HG2 ILE 50 9.492 4.846 -1.587 406 2HG2 ILE 50 2HG2 ILE 50 8.786 5.792 -2.898 407 3HG2 ILE 50 3HG2 ILE 50 10.528 5.527 -2.843 408 1HD1 ILE 50 1HD1 ILE 50 8.733 2.049 -1.437 409 2HD1 ILE 50 2HD1 ILE 50 6.981 2.236 -1.542 410 3HD1 ILE 50 3HD1 ILE 50 7.988 3.603 -1.060 411 H ASN 51 H ASN 51 11.913 3.455 -5.002 412 HA ASN 51 HA ASN 51 13.083 6.042 -4.786 413 1HB ASN 51 2HB ASN 51 14.228 3.317 -5.394 414 2HB ASN 51 1HB ASN 51 15.226 4.766 -5.327 415 1HD2 ASN 51 1HD2 ASN 51 15.168 2.331 -3.652 416 2HD2 ASN 51 2HD2 ASN 51 14.996 2.907 -2.033 417 H GLU 52 H GLU 52 12.750 3.730 -7.452 418 HA GLU 52 HA GLU 52 14.255 5.224 -9.314 419 1HB GLU 52 2HB GLU 52 12.118 3.146 -9.794 420 2HB GLU 52 1HB GLU 52 13.248 3.734 -11.005 421 1HG GLU 52 2HG GLU 52 13.938 2.228 -8.493 422 2HG GLU 52 1HG GLU 52 13.956 1.592 -10.135 423 H LYS 53 H LYS 53 10.799 5.189 -8.560 424 HA LYS 53 HA LYS 53 10.298 7.099 -10.708 425 1HB LYS 53 2HB LYS 53 8.403 5.688 -8.828 426 2HB LYS 53 1HB LYS 53 7.901 6.834 -10.064 427 1HG LYS 53 2HG LYS 53 9.007 5.320 -11.752 428 2HG LYS 53 1HG LYS 53 9.174 4.137 -10.453 429 1HD LYS 53 2HD LYS 53 6.554 5.348 -11.348 430 2HD LYS 53 1HD LYS 53 7.166 3.781 -11.879 431 1HE LYS 53 2HE LYS 53 7.114 2.959 -9.601 432 2HE LYS 53 1HE LYS 53 6.600 4.540 -9.016 433 1HZ LYS 53 1HZ LYS 53 4.560 4.299 -10.298 434 2HZ LYS 53 2HZ LYS 53 4.724 3.022 -9.200 435 3HZ LYS 53 3HZ LYS 53 5.054 2.780 -10.842 436 H LYS 54 H LYS 54 11.510 7.394 -7.761 437 HA LYS 54 HA LYS 54 11.845 9.158 -6.362 438 1HB LYS 54 2HB LYS 54 10.488 10.784 -8.520 439 2HB LYS 54 1HB LYS 54 11.555 11.396 -7.264 440 1HG LYS 54 2HG LYS 54 12.362 9.505 -9.468 441 2HG LYS 54 1HG LYS 54 12.659 11.241 -9.447 442 1HD LYS 54 2HD LYS 54 13.706 9.289 -7.399 443 2HD LYS 54 1HD LYS 54 14.629 9.897 -8.773 444 1HE LYS 54 2HE LYS 54 14.324 12.193 -7.921 445 2HE LYS 54 1HE LYS 54 13.481 11.538 -6.519 446 1HZ LYS 54 1HZ LYS 54 15.462 10.391 -5.858 447 2HZ LYS 54 2HZ LYS 54 15.841 12.022 -6.096 448 3HZ LYS 54 3HZ LYS 54 16.273 10.874 -7.257 449 H LEU 55 H LEU 55 9.571 7.643 -5.847 450 HA LEU 55 HA LEU 55 7.328 9.435 -5.428 451 1HB LEU 55 2HB LEU 55 7.612 6.575 -4.521 452 2HB LEU 55 1HB LEU 55 6.135 7.504 -4.629 453 HG LEU 55 HG LEU 55 7.800 6.490 -6.925 454 1HD1 LEU 55 1HD1 LEU 55 6.486 4.756 -5.930 455 2HD1 LEU 55 2HD1 LEU 55 5.709 5.242 -7.437 456 3HD1 LEU 55 3HD1 LEU 55 5.058 5.789 -5.894 457 1HD2 LEU 55 1HD2 LEU 55 6.050 7.418 -8.374 458 2HD2 LEU 55 2HD2 LEU 55 6.912 8.677 -7.488 459 3HD2 LEU 55 3HD2 LEU 55 5.303 8.178 -6.969 460 H ASN 56 H ASN 56 8.209 10.908 -3.887 461 HA ASN 56 HA ASN 56 9.070 9.904 -1.341 462 1HB ASN 56 2HB ASN 56 9.101 12.249 -0.609 463 2HB ASN 56 1HB ASN 56 9.954 12.043 -2.129 464 1HD2 ASN 56 1HD2 ASN 56 8.918 14.443 -0.999 465 2HD2 ASN 56 2HD2 ASN 56 7.766 15.080 -2.124 466 H MET 57 H MET 57 7.816 9.183 0.203 467 HA MET 57 HA MET 57 4.969 9.177 -0.276 468 1HB MET 57 2HB MET 57 6.685 7.788 1.780 469 2HB MET 57 1HB MET 57 4.943 7.577 1.655 470 1HG MET 57 2HG MET 57 6.993 6.898 -0.440 471 2HG MET 57 1HG MET 57 6.073 5.763 0.548 472 1HE MET 57 1HE MET 57 6.322 5.851 -2.725 473 2HE MET 57 2HE MET 57 4.676 5.374 -3.142 474 3HE MET 57 3HE MET 57 5.523 4.566 -1.822 475 H MET 58 H MET 58 6.616 11.523 0.910 476 HA MET 58 HA MET 58 5.131 12.036 3.347 477 1HB MET 58 2HB MET 58 7.077 13.729 1.772 478 2HB MET 58 1HB MET 58 6.333 14.227 3.286 479 1HG MET 58 2HG MET 58 7.410 12.401 4.450 480 2HG MET 58 1HG MET 58 8.096 11.813 2.936 481 1HE MET 58 1HE MET 58 8.080 14.721 5.578 482 2HE MET 58 2HE MET 58 7.721 15.571 4.075 483 3HE MET 58 3HE MET 58 9.262 15.834 4.888 484 H ASN 59 H ASN 59 4.564 12.237 0.085 485 HA ASN 59 HA ASN 59 2.534 14.335 0.459 486 1HB ASN 59 2HB ASN 59 3.971 13.403 -2.021 487 2HB ASN 59 1HB ASN 59 2.458 14.299 -2.112 488 1HD2 ASN 59 1HD2 ASN 59 5.829 14.443 -1.421 489 2HD2 ASN 59 2HD2 ASN 59 5.940 16.165 -1.277 490 H ALA 60 H ALA 60 0.430 13.900 0.062 491 HA ALA 60 HA ALA 60 -0.454 11.245 0.355 492 1HB ALA 60 1HB ALA 60 -2.057 13.614 -0.596 493 2HB ALA 60 2HB ALA 60 -1.713 13.244 1.092 494 3HB ALA 60 3HB ALA 60 -2.682 12.132 0.127 495 H GLU 61 H GLU 61 0.268 13.155 -2.420 496 HA GLU 61 HA GLU 61 -1.199 11.916 -4.419 497 1HB GLU 61 2HB GLU 61 1.602 13.044 -4.548 498 2HB GLU 61 1HB GLU 61 0.602 12.673 -5.947 499 1HG GLU 61 2HG GLU 61 0.023 14.719 -3.818 500 2HG GLU 61 1HG GLU 61 0.537 15.036 -5.477 501 H HIS 62 H HIS 62 2.086 11.116 -3.305 502 HA HIS 62 HA HIS 62 2.175 8.805 -5.023 503 1HB HIS 62 2HB HIS 62 4.127 9.615 -2.859 504 2HB HIS 62 1HB HIS 62 4.409 8.447 -4.147 505 HD1 HIS 62 1HD HIS 62 4.265 9.600 -6.681 506 HD2 HIS 62 2HD HIS 62 4.965 12.106 -3.443 507 HE1 HIS 62 1HE HIS 62 5.235 11.702 -7.651 508 HE2 HIS 62 2HE HIS 62 5.444 13.277 -5.694 509 H ARG 63 H ARG 63 1.264 9.525 -1.797 510 HA ARG 63 HA ARG 63 1.588 6.998 -0.600 511 1HB ARG 63 2HB ARG 63 1.168 9.036 0.696 512 2HB ARG 63 1HB ARG 63 -0.431 9.175 -0.020 513 1HG ARG 63 2HG ARG 63 -0.599 8.301 2.219 514 2HG ARG 63 1HG ARG 63 -1.081 7.066 1.055 515 1HD ARG 63 2HD ARG 63 0.317 6.133 2.825 516 2HD ARG 63 1HD ARG 63 1.099 6.005 1.253 517 HE ARG 63 HE ARG 63 2.088 8.317 2.260 518 1HH1 ARG 63 1HH1 ARG 63 1.867 5.069 3.525 519 2HH1 ARG 63 2HH1 ARG 63 3.325 5.188 4.458 520 1HH2 ARG 63 1HH2 ARG 63 4.007 8.497 3.495 521 2HH2 ARG 63 2HH2 ARG 63 4.540 7.146 4.448 522 H LYS 64 H LYS 64 -1.324 8.493 -2.072 523 HA LYS 64 HA LYS 64 -2.812 6.074 -1.940 524 1HB LYS 64 2HB LYS 64 -4.389 7.197 -3.521 525 2HB LYS 64 1HB LYS 64 -4.056 8.115 -2.061 526 1HG LYS 64 2HG LYS 64 -2.670 9.638 -3.228 527 2HG LYS 64 1HG LYS 64 -2.651 8.618 -4.669 528 1HD LYS 64 2HD LYS 64 -4.915 9.088 -5.154 529 2HD LYS 64 1HD LYS 64 -5.192 9.783 -3.557 530 1HE LYS 64 2HE LYS 64 -3.278 10.974 -5.549 531 2HE LYS 64 1HE LYS 64 -4.980 11.422 -5.476 532 1HZ LYS 64 1HZ LYS 64 -3.463 12.916 -4.211 533 2HZ LYS 64 2HZ LYS 64 -3.137 11.622 -3.162 534 3HZ LYS 64 3HZ LYS 64 -4.706 12.234 -3.278 535 H LEU 65 H LEU 65 -0.617 7.442 -4.277 536 HA LEU 65 HA LEU 65 -1.218 5.784 -6.464 537 1HB LEU 65 2HB LEU 65 0.461 7.833 -6.096 538 2HB LEU 65 1HB LEU 65 1.612 6.529 -5.900 539 HG LEU 65 HG LEU 65 1.582 7.441 -8.188 540 1HD1 LEU 65 1HD1 LEU 65 1.402 5.317 -9.387 541 2HD1 LEU 65 2HD1 LEU 65 0.601 4.602 -7.988 542 3HD1 LEU 65 3HD1 LEU 65 2.275 5.141 -7.865 543 1HD2 LEU 65 1HD2 LEU 65 -0.312 7.086 -9.645 544 2HD2 LEU 65 2HD2 LEU 65 -0.803 8.045 -8.250 545 3HD2 LEU 65 3HD2 LEU 65 -1.218 6.333 -8.336 546 H LEU 66 H LEU 66 1.104 5.402 -3.803 547 HA LEU 66 HA LEU 66 2.120 2.879 -4.336 548 1HB LEU 66 2HB LEU 66 2.897 4.345 -2.527 549 2HB LEU 66 1HB LEU 66 1.389 4.100 -1.669 550 HG LEU 66 HG LEU 66 2.001 1.627 -1.590 551 1HD1 LEU 66 1HD1 LEU 66 3.701 1.607 -3.299 552 2HD1 LEU 66 2HD1 LEU 66 4.403 1.137 -1.752 553 3HD1 LEU 66 3HD1 LEU 66 4.673 2.760 -2.387 554 1HD2 LEU 66 1HD2 LEU 66 3.443 1.941 0.353 555 2HD2 LEU 66 2HD2 LEU 66 2.125 3.110 0.345 556 3HD2 LEU 66 3HD2 LEU 66 3.747 3.608 -0.131 557 H GLU 67 H GLU 67 -0.758 3.750 -2.472 558 HA GLU 67 HA GLU 67 -1.652 1.203 -1.783 559 1HB GLU 67 2HB GLU 67 -2.535 3.272 -0.819 560 2HB GLU 67 1HB GLU 67 -3.232 3.715 -2.369 561 1HG GLU 67 2HG GLU 67 -4.704 1.757 -2.245 562 2HG GLU 67 1HG GLU 67 -4.027 1.366 -0.666 563 H GLN 68 H GLN 68 -2.534 3.232 -4.549 564 HA GLN 68 HA GLN 68 -4.353 1.469 -5.714 565 1HB GLN 68 2HB GLN 68 -2.679 3.686 -6.878 566 2HB GLN 68 1HB GLN 68 -3.872 2.803 -7.821 567 1HG GLN 68 2HG GLN 68 -5.651 3.565 -6.458 568 2HG GLN 68 1HG GLN 68 -4.543 4.211 -5.252 569 1HE2 GLN 68 1HE2 GLN 68 -3.969 4.615 -8.659 570 2HE2 GLN 68 2HE2 GLN 68 -4.308 6.307 -8.715 571 H GLU 69 H GLU 69 -0.838 1.799 -6.285 572 HA GLU 69 HA GLU 69 -0.728 -0.139 -8.349 573 1HB GLU 69 2HB GLU 69 1.447 0.662 -6.406 574 2HB GLU 69 1HB GLU 69 1.691 -0.257 -7.883 575 1HG GLU 69 2HG GLU 69 0.563 1.813 -9.009 576 2HG GLU 69 1HG GLU 69 1.057 2.628 -7.527 577 H MET 70 H MET 70 -0.423 -0.352 -4.846 578 HA MET 70 HA MET 70 0.456 -3.018 -4.706 579 1HB MET 70 2HB MET 70 0.655 -1.443 -2.833 580 2HB MET 70 1HB MET 70 -1.093 -1.413 -2.663 581 1HG MET 70 2HG MET 70 -1.075 -3.792 -2.098 582 2HG MET 70 1HG MET 70 0.679 -3.809 -2.249 583 1HE MET 70 1HE MET 70 1.802 -1.528 0.709 584 2HE MET 70 2HE MET 70 1.459 -0.960 -0.924 585 3HE MET 70 3HE MET 70 2.308 -2.488 -0.681 586 H VAL 71 H VAL 71 -2.809 -1.639 -4.368 587 HA VAL 71 HA VAL 71 -4.079 -4.128 -3.922 588 HB VAL 71 HB VAL 71 -5.328 -1.590 -5.004 589 1HG1 VAL 71 1HG1 VAL 71 -6.734 -3.592 -5.270 590 2HG1 VAL 71 2HG1 VAL 71 -7.409 -2.467 -4.093 591 3HG1 VAL 71 3HG1 VAL 71 -6.576 -3.922 -3.544 592 1HG2 VAL 71 1HG2 VAL 71 -4.138 -1.194 -2.905 593 2HG2 VAL 71 2HG2 VAL 71 -5.007 -2.532 -2.153 594 3HG2 VAL 71 3HG2 VAL 71 -5.883 -1.093 -2.674 595 H SER 72 H SER 72 -3.277 -2.366 -6.850 596 HA SER 72 HA SER 72 -4.940 -3.911 -8.569 597 1HB SER 72 2HB SER 72 -2.491 -2.262 -9.241 598 2HB SER 72 1HB SER 72 -3.671 -2.877 -10.400 599 HG SER 72 HG SER 72 -3.926 -0.834 -8.492 600 H PHE 73 H PHE 73 -1.636 -4.246 -7.424 601 HA PHE 73 HA PHE 73 -1.079 -6.378 -9.317 602 1HB PHE 73 2HB PHE 73 0.643 -4.673 -8.689 603 2HB PHE 73 1HB PHE 73 0.656 -5.346 -7.063 604 HD1 PHE 73 1HD PHE 73 1.657 -5.840 -10.528 605 HD2 PHE 73 2HD PHE 73 1.632 -7.533 -6.626 606 HE1 PHE 73 1HE PHE 73 3.356 -7.473 -11.232 607 HE2 PHE 73 2HE PHE 73 3.332 -9.172 -7.320 608 HZ PHE 73 HZ PHE 73 4.197 -9.142 -9.623 609 H LEU 74 H LEU 74 -1.101 -6.049 -5.757 610 HA LEU 74 HA LEU 74 -0.678 -8.846 -5.381 611 1HB LEU 74 2HB LEU 74 -1.347 -6.586 -3.517 612 2HB LEU 74 1HB LEU 74 -1.248 -8.244 -2.953 613 HG LEU 74 HG LEU 74 1.001 -6.670 -4.214 614 1HD1 LEU 74 1HD1 LEU 74 1.994 -6.760 -1.982 615 2HD1 LEU 74 2HD1 LEU 74 0.548 -7.562 -1.371 616 3HD1 LEU 74 3HD1 LEU 74 0.452 -5.907 -1.969 617 1HD2 LEU 74 1HD2 LEU 74 1.183 -9.039 -4.752 618 2HD2 LEU 74 2HD2 LEU 74 0.968 -9.458 -3.053 619 3HD2 LEU 74 3HD2 LEU 74 2.406 -8.582 -3.570 620 H PHE 75 H PHE 75 -3.493 -6.735 -4.823 621 HA PHE 75 HA PHE 75 -5.135 -8.978 -4.066 622 1HB PHE 75 2HB PHE 75 -5.407 -6.668 -3.104 623 2HB PHE 75 1HB PHE 75 -6.009 -6.141 -4.672 624 HD1 PHE 75 1HD PHE 75 -8.237 -6.565 -5.335 625 HD2 PHE 75 2HD PHE 75 -6.675 -8.344 -1.797 626 HE1 PHE 75 1HE PHE 75 -10.506 -7.255 -4.686 627 HE2 PHE 75 2HE PHE 75 -8.939 -9.043 -1.145 628 HZ PHE 75 HZ PHE 75 -10.860 -8.499 -2.589 629 H GLU 76 H GLU 76 -4.817 -6.824 -6.831 630 HA GLU 76 HA GLU 76 -5.604 -6.860 -8.943 631 1HB GLU 76 2HB GLU 76 -4.325 -8.995 -8.962 632 2HB GLU 76 1HB GLU 76 -5.800 -9.850 -8.545 633 1HG GLU 76 2HG GLU 76 -6.777 -9.430 -10.614 634 2HG GLU 76 1HG GLU 76 -5.654 -8.126 -10.984 635 H GLY 77 H GLY 77 -7.419 -5.724 -8.102 636 1HA GLY 77 2HA GLY 77 -9.873 -6.374 -9.056 637 2HA GLY 77 1HA GLY 77 -9.850 -7.128 -7.466 638 H LYS 78 H LYS 78 -8.859 -4.028 -8.893 639 HA LYS 78 HA LYS 78 -10.015 -2.712 -6.538 640 1HB LYS 78 2HB LYS 78 -8.484 -0.796 -7.132 641 2HB LYS 78 1HB LYS 78 -7.695 -2.255 -6.565 642 1HG LYS 78 2HG LYS 78 -6.378 -1.505 -8.339 643 2HG LYS 78 1HG LYS 78 -7.322 -2.827 -9.015 644 1HD LYS 78 2HD LYS 78 -8.828 -1.263 -10.074 645 2HD LYS 78 1HD LYS 78 -8.023 0.094 -9.285 646 1HE LYS 78 2HE LYS 78 -7.274 -0.028 -11.563 647 2HE LYS 78 1HE LYS 78 -5.944 -0.495 -10.508 648 1HZ LYS 78 1HZ LYS 78 -7.698 -2.344 -12.026 649 2HZ LYS 78 2HZ LYS 78 -6.455 -2.818 -10.989 650 3HZ LYS 78 3HZ LYS 78 -6.094 -1.965 -12.402 651 H ASP 79 H ASP 79 -11.090 -0.674 -6.854 652 HA ASP 79 HA ASP 79 -12.471 -0.574 -9.437 653 1HB ASP 79 2HB ASP 79 -14.237 0.614 -8.301 654 2HB ASP 79 1HB ASP 79 -13.823 -0.800 -7.338 655 H VAL 80 H VAL 80 -10.266 1.134 -7.453 656 HA VAL 80 HA VAL 80 -10.708 3.737 -8.554 657 HB VAL 80 HB VAL 80 -8.257 2.734 -7.099 658 1HG1 VAL 80 1HG1 VAL 80 -9.360 5.517 -7.475 659 2HG1 VAL 80 2HG1 VAL 80 -7.921 4.852 -8.251 660 3HG1 VAL 80 3HG1 VAL 80 -7.950 5.093 -6.504 661 1HG2 VAL 80 1HG2 VAL 80 -10.767 3.971 -5.969 662 2HG2 VAL 80 2HG2 VAL 80 -9.292 3.638 -5.060 663 3HG2 VAL 80 3HG2 VAL 80 -10.229 2.306 -5.741 664 H HIS 81 H HIS 81 -10.191 4.277 -10.566 665 HA HIS 81 HA HIS 81 -8.351 2.797 -12.162 666 1HB HIS 81 2HB HIS 81 -10.004 5.238 -12.535 667 2HB HIS 81 1HB HIS 81 -8.620 5.033 -13.601 668 HD1 HIS 81 1HD HIS 81 -9.408 4.125 -15.742 669 HD2 HIS 81 2HD HIS 81 -11.431 2.447 -12.523 670 HE1 HIS 81 1HE HIS 81 -10.955 2.414 -16.737 671 HE2 HIS 81 2HE HIS 81 -12.280 1.523 -14.785 672 H ILE 82 H ILE 82 -6.307 3.354 -12.885 673 HA ILE 82 HA ILE 82 -4.988 5.476 -11.325 674 HB ILE 82 HB ILE 82 -3.608 3.137 -12.648 675 1HG1 ILE 82 2HG1 ILE 82 -4.468 3.428 -9.754 676 2HG1 ILE 82 1HG1 ILE 82 -5.155 2.305 -10.921 677 1HG2 ILE 82 1HG2 ILE 82 -1.748 3.762 -11.169 678 2HG2 ILE 82 2HG2 ILE 82 -2.701 5.112 -10.550 679 3HG2 ILE 82 3HG2 ILE 82 -2.207 5.087 -12.244 680 1HD1 ILE 82 1HD1 ILE 82 -3.022 1.145 -11.071 681 2HD1 ILE 82 2HD1 ILE 82 -3.613 1.193 -9.411 682 3HD1 ILE 82 3HD1 ILE 82 -2.319 2.280 -9.918 683 H GLU 83 H GLU 83 -5.519 7.096 -12.786 684 HA GLU 83 HA GLU 83 -3.724 7.396 -15.002 685 1HB GLU 83 2HB GLU 83 -6.618 6.820 -15.466 686 2HB GLU 83 1HB GLU 83 -5.865 8.064 -16.454 687 1HG GLU 83 2HG GLU 83 -4.994 5.189 -16.237 688 2HG GLU 83 1HG GLU 83 -5.834 5.935 -17.597 689 H GLY 84 H GLY 84 -4.325 9.564 -16.147 690 1HA GLY 84 2HA GLY 84 -4.515 11.569 -14.107 691 2HA GLY 84 1HA GLY 84 -4.336 11.850 -15.832 692 H TYR 85 H TYR 85 -6.490 11.755 -13.185 693 HA TYR 85 HA TYR 85 -8.803 12.078 -14.964 694 1HB TYR 85 2HB TYR 85 -10.149 11.818 -12.829 695 2HB TYR 85 1HB TYR 85 -9.253 10.398 -13.348 696 HD1 TYR 85 1HD TYR 85 -9.238 13.204 -10.923 697 HD2 TYR 85 2HD TYR 85 -7.640 9.402 -11.955 698 HE1 TYR 85 1HE TYR 85 -8.177 13.055 -8.711 699 HE2 TYR 85 2HE TYR 85 -6.576 9.242 -9.746 700 HH TYR 85 HH TYR 85 -5.792 10.773 -7.976 701 H THR 86 H THR 86 -10.390 13.733 -14.431 702 HA THR 86 HA THR 86 -9.209 16.076 -13.104 703 HB THR 86 HB THR 86 -10.919 16.165 -15.599 704 HG1 THR 86 1HG THR 86 -8.156 16.013 -15.202 705 1HG2 THR 86 1HG2 THR 86 -9.350 18.337 -14.204 706 2HG2 THR 86 2HG2 THR 86 -11.098 18.127 -14.109 707 3HG2 THR 86 3HG2 THR 86 -10.341 18.520 -15.652 708 HA PRO 87 HA PRO 87 -13.243 15.385 -11.123 709 1HB PRO 87 2HB PRO 87 -12.539 16.227 -8.668 710 2HB PRO 87 1HB PRO 87 -12.076 14.635 -9.277 711 1HG PRO 87 2HG PRO 87 -10.449 17.115 -9.025 712 2HG PRO 87 1HG PRO 87 -9.962 15.428 -8.795 713 1HD PRO 87 2HD PRO 87 -9.500 16.960 -11.075 714 2HD PRO 87 1HD PRO 87 -9.423 15.192 -10.990 715 H GLU 88 H GLU 88 -14.878 16.775 -11.163 716 HA GLU 88 HA GLU 88 -14.416 19.583 -11.552 717 1HB GLU 88 2HB GLU 88 -16.240 18.316 -12.681 718 2HB GLU 88 1HB GLU 88 -17.019 18.108 -11.119 719 1HG GLU 88 2HG GLU 88 -17.242 20.541 -10.917 720 2HG GLU 88 1HG GLU 88 -16.495 20.732 -12.504 721 H ASP 89 H ASP 89 -15.616 17.516 -8.981 722 HA ASP 89 HA ASP 89 -15.135 19.640 -7.044 723 1HB ASP 89 2HB ASP 89 -17.647 19.477 -7.847 724 2HB ASP 89 1HB ASP 89 -17.683 18.071 -6.787 725 H LYS 90 H LYS 90 -15.679 18.495 -4.730 726 HA LYS 90 HA LYS 90 -14.950 15.695 -4.727 727 1HB LYS 90 2HB LYS 90 -12.899 16.012 -3.394 728 2HB LYS 90 1HB LYS 90 -12.754 16.683 -5.010 729 1HG LYS 90 2HG LYS 90 -13.165 18.922 -4.108 730 2HG LYS 90 1HG LYS 90 -13.276 18.240 -2.485 731 1HD LYS 90 2HD LYS 90 -10.968 17.426 -2.679 732 2HD LYS 90 1HD LYS 90 -10.863 18.129 -4.294 733 1HE LYS 90 2HE LYS 90 -11.334 19.633 -1.725 734 2HE LYS 90 1HE LYS 90 -9.820 19.577 -2.626 735 1HZ LYS 90 1HZ LYS 90 -11.046 21.604 -3.084 736 2HZ LYS 90 2HZ LYS 90 -12.381 20.716 -3.614 737 3HZ LYS 90 3HZ LYS 90 -10.932 20.661 -4.481 738 H LYS 91 H LYS 91 -16.893 17.857 -3.640 739 HA LYS 91 HA LYS 91 -16.780 17.034 -0.822 740 1HB LYS 91 2HB LYS 91 -16.844 19.472 -1.293 741 2HB LYS 91 1HB LYS 91 -18.387 19.253 -2.102 742 1HG LYS 91 2HG LYS 91 -19.420 18.561 -0.037 743 2HG LYS 91 1HG LYS 91 -17.865 18.634 0.798 744 1HD LYS 91 2HD LYS 91 -17.742 21.037 0.355 745 2HD LYS 91 1HD LYS 91 -19.290 20.962 -0.485 746 1HE LYS 91 2HE LYS 91 -20.379 20.236 1.571 747 2HE LYS 91 1HE LYS 91 -18.830 20.276 2.413 748 1HZ LYS 91 1HZ LYS 91 -18.713 22.639 2.070 749 2HZ LYS 91 2HZ LYS 91 -20.184 22.258 2.816 750 3HZ LYS 91 3HZ LYS 91 -20.146 22.627 1.168 Start of MODEL 13 1 1H MET 1 1HT MET 1 2.328 -23.841 8.054 2 2H MET 1 2HT MET 1 2.109 -23.698 9.726 3 3H MET 1 3HT MET 1 1.986 -22.329 8.732 4 HA MET 1 HA MET 1 0.034 -23.120 7.710 5 1HB MET 1 2HB MET 1 0.641 -25.515 7.716 6 2HB MET 1 1HB MET 1 0.359 -25.572 9.451 7 1HG MET 1 2HG MET 1 -1.990 -24.997 9.080 8 2HG MET 1 1HG MET 1 -1.704 -24.972 7.342 9 1HE MET 1 1HE MET 1 -1.452 -28.760 9.972 10 2HE MET 1 2HE MET 1 -1.890 -27.164 10.579 11 3HE MET 1 3HE MET 1 -0.241 -27.480 10.038 12 H SER 2 H SER 2 -0.432 -21.193 8.903 13 HA SER 2 HA SER 2 -1.638 -21.675 11.538 14 1HB SER 2 2HB SER 2 -1.772 -19.178 11.669 15 2HB SER 2 1HB SER 2 -0.125 -19.777 11.496 16 HG SER 2 HG SER 2 -0.554 -19.394 9.120 17 H ARG 3 H ARG 3 -2.345 -19.988 8.494 18 HA ARG 3 HA ARG 3 -4.932 -21.313 8.455 19 1HB ARG 3 2HB ARG 3 -5.318 -19.075 9.484 20 2HB ARG 3 1HB ARG 3 -4.678 -18.329 8.025 21 1HG ARG 3 2HG ARG 3 -6.488 -19.078 6.723 22 2HG ARG 3 1HG ARG 3 -7.034 -20.190 7.980 23 1HD ARG 3 2HD ARG 3 -7.058 -17.174 8.123 24 2HD ARG 3 1HD ARG 3 -8.458 -18.221 7.892 25 HE ARG 3 HE ARG 3 -6.813 -18.424 10.326 26 1HH1 ARG 3 1HH1 ARG 3 -9.915 -17.834 8.799 27 2HH1 ARG 3 2HH1 ARG 3 -10.795 -17.898 10.292 28 1HH2 ARG 3 1HH2 ARG 3 -7.968 -18.493 12.277 29 2HH2 ARG 3 2HH2 ARG 3 -9.689 -18.278 12.272 30 H THR 4 H THR 4 -4.247 -22.563 6.789 31 HA THR 4 HA THR 4 -2.829 -21.603 4.539 32 HB THR 4 HB THR 4 -4.511 -24.109 4.732 33 HG1 THR 4 1HG THR 4 -1.922 -24.625 5.011 34 1HG2 THR 4 1HG2 THR 4 -2.171 -23.396 2.955 35 2HG2 THR 4 2HG2 THR 4 -3.854 -23.542 2.448 36 3HG2 THR 4 3HG2 THR 4 -2.978 -24.963 3.011 37 H ILE 5 H ILE 5 -3.607 -20.258 3.087 38 HA ILE 5 HA ILE 5 -6.404 -20.570 2.235 39 HB ILE 5 HB ILE 5 -6.319 -18.071 1.717 40 1HG1 ILE 5 2HG1 ILE 5 -4.809 -16.858 3.446 41 2HG1 ILE 5 1HG1 ILE 5 -3.878 -18.351 3.460 42 1HG2 ILE 5 1HG2 ILE 5 -6.933 -17.473 4.040 43 2HG2 ILE 5 2HG2 ILE 5 -6.331 -19.045 4.565 44 3HG2 ILE 5 3HG2 ILE 5 -7.705 -18.951 3.465 45 1HD1 ILE 5 1HD1 ILE 5 -4.395 -16.585 1.079 46 2HD1 ILE 5 2HD1 ILE 5 -3.504 -18.106 1.047 47 3HD1 ILE 5 3HD1 ILE 5 -2.880 -16.739 1.970 48 H PHE 6 H PHE 6 -6.843 -19.878 0.030 49 HA PHE 6 HA PHE 6 -4.575 -20.372 -1.724 50 1HB PHE 6 2HB PHE 6 -7.542 -20.111 -2.241 51 2HB PHE 6 1HB PHE 6 -6.361 -20.218 -3.542 52 HD1 PHE 6 1HD PHE 6 -8.053 -22.025 -0.859 53 HD2 PHE 6 2HD PHE 6 -5.164 -22.277 -3.971 54 HE1 PHE 6 1HE PHE 6 -8.116 -24.479 -0.715 55 HE2 PHE 6 2HE PHE 6 -5.219 -24.731 -3.830 56 HZ PHE 6 HZ PHE 6 -6.696 -25.836 -2.202 57 H CYS 7 H CYS 7 -3.334 -18.603 -1.682 58 HA CYS 7 HA CYS 7 -4.103 -15.961 -1.438 59 1HB CYS 7 2HB CYS 7 -1.795 -16.702 -1.168 60 2HB CYS 7 1HB CYS 7 -1.697 -17.088 -2.881 61 HG CYS 7 HG CYS 7 -2.380 -13.905 -1.893 62 H THR 8 H THR 8 -4.606 -14.317 -2.825 63 HA THR 8 HA THR 8 -6.067 -14.920 -5.122 64 HB THR 8 HB THR 8 -5.696 -12.369 -5.565 65 HG1 THR 8 1HG THR 8 -4.579 -11.316 -4.076 66 1HG2 THR 8 1HG2 THR 8 -7.367 -11.820 -3.865 67 2HG2 THR 8 2HG2 THR 8 -7.048 -13.350 -3.048 68 3HG2 THR 8 3HG2 THR 8 -7.758 -13.344 -4.662 69 H TYR 9 H TYR 9 -2.716 -13.897 -4.740 70 HA TYR 9 HA TYR 9 -2.333 -13.590 -7.583 71 1HB TYR 9 2HB TYR 9 -1.183 -12.121 -5.958 72 2HB TYR 9 1HB TYR 9 -0.307 -13.516 -5.338 73 HD1 TYR 9 1HD TYR 9 1.670 -14.276 -6.394 74 HD2 TYR 9 2HD TYR 9 -0.782 -11.391 -8.337 75 HE1 TYR 9 1HE TYR 9 3.431 -13.918 -8.071 76 HE2 TYR 9 2HE TYR 9 0.974 -11.025 -10.021 77 HH TYR 9 HH TYR 9 3.443 -11.303 -10.211 78 H LEU 10 H LEU 10 -1.418 -15.927 -5.086 79 HA LEU 10 HA LEU 10 0.269 -17.409 -6.899 80 1HB LEU 10 2HB LEU 10 -0.655 -18.144 -4.125 81 2HB LEU 10 1HB LEU 10 0.621 -18.930 -5.031 82 HG LEU 10 HG LEU 10 0.687 -16.074 -4.047 83 1HD1 LEU 10 1HD1 LEU 10 2.161 -18.516 -3.067 84 2HD1 LEU 10 2HD1 LEU 10 0.828 -17.715 -2.236 85 3HD1 LEU 10 3HD1 LEU 10 2.356 -16.867 -2.470 86 1HD2 LEU 10 1HD2 LEU 10 2.812 -17.749 -5.380 87 2HD2 LEU 10 2HD2 LEU 10 3.029 -16.120 -4.737 88 3HD2 LEU 10 3HD2 LEU 10 1.956 -16.392 -6.109 89 H GLN 11 H GLN 11 -2.966 -17.696 -5.579 90 HA GLN 11 HA GLN 11 -4.702 -19.086 -5.980 91 1HB GLN 11 2HB GLN 11 -3.131 -19.520 -8.509 92 2HB GLN 11 1HB GLN 11 -4.654 -20.346 -8.212 93 1HG GLN 11 2HG GLN 11 -4.260 -17.360 -8.293 94 2HG GLN 11 1HG GLN 11 -4.966 -18.350 -9.571 95 1HE2 GLN 11 1HE2 GLN 11 -5.444 -16.966 -6.425 96 2HE2 GLN 11 2HE2 GLN 11 -7.139 -17.289 -6.315 97 H ARG 12 H ARG 12 -2.161 -20.044 -4.666 98 HA ARG 12 HA ARG 12 -2.783 -22.913 -4.792 99 1HB ARG 12 2HB ARG 12 -0.024 -21.731 -4.420 100 2HB ARG 12 1HB ARG 12 -0.427 -23.440 -4.481 101 1HG ARG 12 2HG ARG 12 -1.198 -23.117 -6.820 102 2HG ARG 12 1HG ARG 12 -0.614 -21.453 -6.734 103 1HD ARG 12 2HD ARG 12 1.052 -22.846 -7.793 104 2HD ARG 12 1HD ARG 12 1.643 -22.308 -6.220 105 HE ARG 12 HE ARG 12 0.338 -24.855 -6.107 106 1HH1 ARG 12 1HH1 ARG 12 3.360 -23.260 -6.848 107 2HH1 ARG 12 2HH1 ARG 12 4.326 -24.659 -6.509 108 1HH2 ARG 12 1HH2 ARG 12 1.600 -26.704 -5.684 109 2HH2 ARG 12 2HH2 ARG 12 3.324 -26.625 -5.863 110 H ASP 13 H ASP 13 -1.694 -23.996 -2.778 111 HA ASP 13 HA ASP 13 -2.832 -22.918 -0.446 112 1HB ASP 13 2HB ASP 13 -0.716 -25.040 -0.829 113 2HB ASP 13 1HB ASP 13 -1.410 -24.630 0.732 114 H ALA 14 H ALA 14 -2.178 -21.172 0.591 115 HA ALA 14 HA ALA 14 0.713 -20.747 0.909 116 1HB ALA 14 1HB ALA 14 -1.298 -18.595 0.258 117 2HB ALA 14 2HB ALA 14 -0.123 -19.276 -0.869 118 3HB ALA 14 3HB ALA 14 0.429 -18.365 0.537 119 H GLU 15 H GLU 15 0.985 -18.865 2.602 120 HA GLU 15 HA GLU 15 -0.502 -19.791 4.949 121 1HB GLU 15 2HB GLU 15 1.939 -20.059 4.987 122 2HB GLU 15 1HB GLU 15 2.140 -18.333 4.727 123 1HG GLU 15 2HG GLU 15 2.502 -18.695 7.013 124 2HG GLU 15 1HG GLU 15 0.895 -17.983 6.885 125 H GLY 16 H GLY 16 -1.759 -18.451 6.098 126 1HA GLY 16 2HA GLY 16 -2.383 -15.842 5.189 127 2HA GLY 16 1HA GLY 16 -2.865 -16.540 6.731 128 H GLN 17 H GLN 17 -1.441 -13.941 5.582 129 HA GLN 17 HA GLN 17 0.971 -13.857 7.139 130 1HB GLN 17 2HB GLN 17 -0.550 -11.865 5.493 131 2HB GLN 17 1HB GLN 17 0.774 -11.342 6.516 132 1HG GLN 17 2HG GLN 17 1.199 -13.567 4.590 133 2HG GLN 17 1HG GLN 17 1.150 -11.908 4.001 134 1HE2 GLN 17 1HE2 GLN 17 2.370 -12.764 7.160 135 2HE2 GLN 17 2HE2 GLN 17 4.025 -12.406 6.823 136 H ASP 18 H ASP 18 0.866 -13.761 9.308 137 HA ASP 18 HA ASP 18 -1.264 -12.201 10.539 138 1HB ASP 18 2HB ASP 18 0.613 -14.279 11.542 139 2HB ASP 18 1HB ASP 18 -0.015 -13.102 12.691 140 H PHE 19 H PHE 19 -0.740 -10.128 10.215 141 HA PHE 19 HA PHE 19 1.439 -9.108 11.846 142 1HB PHE 19 2HB PHE 19 1.197 -8.731 8.892 143 2HB PHE 19 1HB PHE 19 1.826 -7.410 9.866 144 HD1 PHE 19 1HD PHE 19 2.564 -10.529 8.272 145 HD2 PHE 19 2HD PHE 19 3.836 -7.855 11.327 146 HE1 PHE 19 1HE PHE 19 4.790 -11.578 8.265 147 HE2 PHE 19 2HE PHE 19 6.062 -8.894 11.320 148 HZ PHE 19 HZ PHE 19 6.542 -10.761 9.789 149 H GLN 20 H GLN 20 0.787 -7.505 13.034 150 HA GLN 20 HA GLN 20 -1.355 -5.718 12.109 151 1HB GLN 20 2HB GLN 20 -1.169 -7.160 14.753 152 2HB GLN 20 1HB GLN 20 -2.160 -5.725 14.535 153 1HG GLN 20 2HG GLN 20 -2.465 -8.234 12.906 154 2HG GLN 20 1HG GLN 20 -3.376 -7.898 14.377 155 1HE2 GLN 20 1HE2 GLN 20 -2.866 -7.017 11.052 156 2HE2 GLN 20 2HE2 GLN 20 -4.310 -6.077 10.878 157 H LEU 21 H LEU 21 1.524 -5.504 12.162 158 HA LEU 21 HA LEU 21 2.366 -4.100 14.496 159 1HB LEU 21 2HB LEU 21 4.505 -3.871 13.430 160 2HB LEU 21 1HB LEU 21 3.909 -5.492 13.197 161 HG LEU 21 HG LEU 21 4.967 -4.949 11.191 162 1HD1 LEU 21 1HD1 LEU 21 2.819 -5.963 10.775 163 2HD1 LEU 21 2HD1 LEU 21 3.248 -4.844 9.482 164 3HD1 LEU 21 3HD1 LEU 21 2.060 -4.374 10.698 165 1HD2 LEU 21 1HD2 LEU 21 5.295 -2.597 11.506 166 2HD2 LEU 21 2HD2 LEU 21 3.580 -2.282 11.242 167 3HD2 LEU 21 3HD2 LEU 21 4.581 -2.881 9.918 168 H TYR 22 H TYR 22 0.500 -3.125 11.983 169 HA TYR 22 HA TYR 22 0.744 -0.379 12.709 170 1HB TYR 22 2HB TYR 22 2.574 -0.418 11.133 171 2HB TYR 22 1HB TYR 22 1.579 -1.208 9.922 172 HD1 TYR 22 1HD TYR 22 0.228 0.057 8.445 173 HD2 TYR 22 2HD TYR 22 2.045 1.954 11.793 174 HE1 TYR 22 1HE TYR 22 -0.405 2.255 7.537 175 HE2 TYR 22 2HE TYR 22 1.412 4.154 10.897 176 HH TYR 22 HH TYR 22 0.876 5.166 8.725 177 HA PRO 23 HA PRO 23 -3.073 -0.944 9.965 178 1HB PRO 23 2HB PRO 23 -3.448 -3.061 8.400 179 2HB PRO 23 1HB PRO 23 -2.354 -1.762 7.915 180 1HG PRO 23 2HG PRO 23 -1.721 -4.449 9.056 181 2HG PRO 23 1HG PRO 23 -0.892 -3.555 7.769 182 1HD PRO 23 2HD PRO 23 -0.086 -3.661 10.421 183 2HD PRO 23 1HD PRO 23 0.399 -2.425 9.250 184 H GLY 24 H GLY 24 -5.151 -2.110 10.035 185 1HA GLY 24 2HA GLY 24 -5.205 -4.235 12.084 186 2HA GLY 24 1HA GLY 24 -6.342 -2.895 12.101 187 H GLU 25 H GLU 25 -8.104 -2.921 10.798 188 HA GLU 25 HA GLU 25 -9.117 -5.362 9.896 189 1HB GLU 25 2HB GLU 25 -10.465 -3.352 10.519 190 2HB GLU 25 1HB GLU 25 -9.964 -2.591 9.019 191 1HG GLU 25 2HG GLU 25 -11.342 -5.238 8.962 192 2HG GLU 25 1HG GLU 25 -12.276 -3.763 9.185 193 H LEU 26 H LEU 26 -7.984 -2.584 7.972 194 HA LEU 26 HA LEU 26 -8.178 -3.861 5.484 195 1HB LEU 26 2HB LEU 26 -7.984 -1.415 5.811 196 2HB LEU 26 1HB LEU 26 -6.312 -1.630 6.292 197 HG LEU 26 HG LEU 26 -5.789 -2.502 4.040 198 1HD1 LEU 26 1HD1 LEU 26 -7.439 -2.238 2.241 199 2HD1 LEU 26 2HD1 LEU 26 -8.657 -1.787 3.435 200 3HD1 LEU 26 3HD1 LEU 26 -7.965 -3.408 3.450 201 1HD2 LEU 26 1HD2 LEU 26 -5.462 -0.145 4.512 202 2HD2 LEU 26 2HD2 LEU 26 -7.140 0.192 4.086 203 3HD2 LEU 26 3HD2 LEU 26 -6.012 -0.367 2.852 204 H GLY 27 H GLY 27 -5.637 -3.793 7.892 205 1HA GLY 27 2HA GLY 27 -3.552 -4.929 6.410 206 2HA GLY 27 1HA GLY 27 -3.766 -5.093 8.149 207 H LYS 28 H LYS 28 -5.726 -6.640 8.670 208 HA LYS 28 HA LYS 28 -4.969 -9.223 7.891 209 1HB LYS 28 2HB LYS 28 -7.545 -8.215 9.105 210 2HB LYS 28 1HB LYS 28 -7.191 -9.920 8.867 211 1HG LYS 28 2HG LYS 28 -5.230 -9.699 10.325 212 2HG LYS 28 1HG LYS 28 -5.645 -8.006 10.598 213 1HD LYS 28 2HD LYS 28 -7.736 -8.634 11.623 214 2HD LYS 28 1HD LYS 28 -7.462 -10.331 11.224 215 1HE LYS 28 2HE LYS 28 -5.720 -8.683 13.053 216 2HE LYS 28 1HE LYS 28 -6.981 -9.791 13.589 217 1HZ LYS 28 1HZ LYS 28 -4.779 -10.802 13.668 218 2HZ LYS 28 2HZ LYS 28 -4.595 -10.566 12.005 219 3HZ LYS 28 3HZ LYS 28 -5.788 -11.613 12.580 220 H ARG 29 H ARG 29 -7.395 -7.034 6.644 221 HA ARG 29 HA ARG 29 -8.872 -8.678 4.996 222 1HB ARG 29 2HB ARG 29 -9.211 -6.227 5.474 223 2HB ARG 29 1HB ARG 29 -7.942 -5.890 4.307 224 1HG ARG 29 2HG ARG 29 -9.257 -6.876 2.541 225 2HG ARG 29 1HG ARG 29 -10.517 -7.319 3.698 226 1HD ARG 29 2HD ARG 29 -10.628 -4.837 4.268 227 2HD ARG 29 1HD ARG 29 -9.671 -4.577 2.810 228 HE ARG 29 HE ARG 29 -11.477 -5.390 1.510 229 1HH1 ARG 29 1HH1 ARG 29 -12.209 -5.022 4.927 230 2HH1 ARG 29 2HH1 ARG 29 -13.928 -5.083 4.685 231 1HH2 ARG 29 1HH2 ARG 29 -13.725 -5.471 1.199 232 2HH2 ARG 29 2HH2 ARG 29 -14.794 -5.328 2.558 233 H ILE 30 H ILE 30 -5.794 -7.068 4.311 234 HA ILE 30 HA ILE 30 -5.572 -8.239 1.688 235 HB ILE 30 HB ILE 30 -3.479 -6.799 3.326 236 1HG1 ILE 30 2HG1 ILE 30 -5.283 -5.726 1.148 237 2HG1 ILE 30 1HG1 ILE 30 -5.511 -5.436 2.869 238 1HG2 ILE 30 1HG2 ILE 30 -2.388 -6.427 1.143 239 2HG2 ILE 30 2HG2 ILE 30 -3.600 -7.461 0.387 240 3HG2 ILE 30 3HG2 ILE 30 -2.485 -8.135 1.576 241 1HD1 ILE 30 1HD1 ILE 30 -3.158 -4.552 1.212 242 2HD1 ILE 30 2HD1 ILE 30 -3.353 -4.286 2.945 243 3HD1 ILE 30 3HD1 ILE 30 -4.469 -3.532 1.806 244 H TYR 31 H TYR 31 -4.226 -8.805 4.890 245 HA TYR 31 HA TYR 31 -2.257 -10.659 4.026 246 1HB TYR 31 2HB TYR 31 -3.387 -10.041 6.748 247 2HB TYR 31 1HB TYR 31 -2.060 -11.164 6.482 248 HD1 TYR 31 1HD TYR 31 -0.692 -9.595 4.257 249 HD2 TYR 31 2HD TYR 31 -2.241 -8.406 8.035 250 HE1 TYR 31 1HE TYR 31 0.896 -7.727 4.309 251 HE2 TYR 31 2HE TYR 31 -0.655 -6.530 8.099 252 HH TYR 31 HH TYR 31 1.131 -5.548 5.370 253 H ASN 32 H ASN 32 -5.589 -11.017 4.382 254 HA ASN 32 HA ASN 32 -5.447 -13.871 4.925 255 1HB ASN 32 2HB ASN 32 -7.722 -11.964 4.443 256 2HB ASN 32 1HB ASN 32 -7.980 -13.702 4.369 257 1HD2 ASN 32 1HD2 ASN 32 -5.685 -12.200 6.521 258 2HD2 ASN 32 2HD2 ASN 32 -6.535 -12.545 7.987 259 H GLU 33 H GLU 33 -5.447 -11.746 2.248 260 HA GLU 33 HA GLU 33 -6.081 -13.935 0.392 261 1HB GLU 33 2HB GLU 33 -5.800 -10.991 -0.229 262 2HB GLU 33 1HB GLU 33 -6.437 -12.235 -1.291 263 1HG GLU 33 2HG GLU 33 -7.694 -11.201 1.236 264 2HG GLU 33 1HG GLU 33 -8.235 -10.907 -0.413 265 H ILE 34 H ILE 34 -3.577 -11.896 1.561 266 HA ILE 34 HA ILE 34 -1.779 -12.772 -0.594 267 HB ILE 34 HB ILE 34 -1.809 -10.223 1.011 268 1HG1 ILE 34 2HG1 ILE 34 -3.283 -10.321 -0.945 269 2HG1 ILE 34 1HG1 ILE 34 -1.969 -9.179 -1.198 270 1HG2 ILE 34 1HG2 ILE 34 0.345 -11.170 -0.867 271 2HG2 ILE 34 2HG2 ILE 34 0.497 -10.994 0.880 272 3HG2 ILE 34 3HG2 ILE 34 0.246 -9.572 -0.133 273 1HD1 ILE 34 1HD1 ILE 34 -2.198 -11.955 -2.329 274 2HD1 ILE 34 2HD1 ILE 34 -0.778 -10.924 -2.494 275 3HD1 ILE 34 3HD1 ILE 34 -2.315 -10.430 -3.207 276 H SER 35 H SER 35 0.123 -13.666 -0.099 277 HA SER 35 HA SER 35 0.630 -14.221 2.734 278 1HB SER 35 2HB SER 35 1.325 -15.907 0.325 279 2HB SER 35 1HB SER 35 1.584 -16.345 2.014 280 HG SER 35 HG SER 35 -0.662 -16.306 2.318 281 H LYS 36 H LYS 36 3.096 -15.301 2.567 282 HA LYS 36 HA LYS 36 4.759 -13.100 2.828 283 1HB LYS 36 2HB LYS 36 5.654 -15.906 2.170 284 2HB LYS 36 1HB LYS 36 6.566 -14.681 3.032 285 1HG LYS 36 2HG LYS 36 3.969 -15.685 4.124 286 2HG LYS 36 1HG LYS 36 5.460 -16.600 4.351 287 1HD LYS 36 2HD LYS 36 6.468 -14.503 5.307 288 2HD LYS 36 1HD LYS 36 4.847 -13.802 5.274 289 1HE LYS 36 2HE LYS 36 5.363 -14.719 7.478 290 2HE LYS 36 1HE LYS 36 4.032 -15.588 6.717 291 1HZ LYS 36 1HZ LYS 36 5.611 -17.320 6.068 292 2HZ LYS 36 2HZ LYS 36 5.566 -17.122 7.747 293 3HZ LYS 36 3HZ LYS 36 6.858 -16.493 6.857 294 H ASP 37 H ASP 37 4.572 -15.434 0.173 295 HA ASP 37 HA ASP 37 6.753 -14.550 -1.309 296 1HB ASP 37 2HB ASP 37 5.457 -16.697 -1.612 297 2HB ASP 37 1HB ASP 37 4.227 -15.760 -2.451 298 H ALA 38 H ALA 38 3.321 -13.759 -1.757 299 HA ALA 38 HA ALA 38 3.790 -12.015 -3.941 300 1HB ALA 38 1HB ALA 38 1.372 -12.238 -2.157 301 2HB ALA 38 2HB ALA 38 1.659 -13.155 -3.634 302 3HB ALA 38 3HB ALA 38 1.436 -11.406 -3.710 303 H TRP 39 H TRP 39 3.287 -11.478 -0.470 304 HA TRP 39 HA TRP 39 3.058 -8.659 -0.659 305 1HB TRP 39 2HB TRP 39 2.214 -9.917 1.271 306 2HB TRP 39 1HB TRP 39 3.857 -10.375 1.705 307 HD1 TRP 39 HD TRP 39 5.211 -8.698 3.173 308 HE1 TRP 39 1HE TRP 39 4.705 -6.394 4.197 309 HE3 TRP 39 3HE TRP 39 0.829 -7.667 0.744 310 HZ2 TRP 39 2HZ TRP 39 2.716 -4.402 4.001 311 HZ3 TRP 39 3HZ TRP 39 -0.310 -5.540 1.219 312 HH2 TRP 39 HH TRP 39 0.615 -3.942 2.817 313 H ALA 40 H ALA 40 5.769 -10.774 0.237 314 HA ALA 40 HA ALA 40 7.578 -8.718 0.842 315 1HB ALA 40 1HB ALA 40 7.895 -11.052 1.531 316 2HB ALA 40 2HB ALA 40 9.314 -10.404 0.707 317 3HB ALA 40 3HB ALA 40 8.219 -11.491 -0.146 318 H GLN 41 H GLN 41 6.959 -10.439 -2.193 319 HA GLN 41 HA GLN 41 9.125 -9.236 -3.578 320 1HB GLN 41 2HB GLN 41 6.665 -10.674 -4.545 321 2HB GLN 41 1HB GLN 41 7.899 -10.055 -5.636 322 1HG GLN 41 2HG GLN 41 9.573 -11.444 -4.467 323 2HG GLN 41 1HG GLN 41 8.282 -12.114 -3.472 324 1HE2 GLN 41 1HE2 GLN 41 6.369 -12.131 -5.659 325 2HE2 GLN 41 2HE2 GLN 41 6.825 -13.440 -6.689 326 H TRP 42 H TRP 42 5.641 -8.477 -3.430 327 HA TRP 42 HA TRP 42 5.721 -6.416 -5.336 328 1HB TRP 42 2HB TRP 42 3.581 -7.263 -4.744 329 2HB TRP 42 1HB TRP 42 3.838 -6.921 -3.033 330 HD1 TRP 42 HD TRP 42 2.337 -4.969 -2.335 331 HE1 TRP 42 1HE TRP 42 1.677 -2.700 -3.341 332 HE3 TRP 42 3HE TRP 42 4.717 -5.343 -6.848 333 HZ2 TRP 42 2HZ TRP 42 2.095 -1.262 -5.720 334 HZ3 TRP 42 3HZ TRP 42 4.533 -3.472 -8.433 335 HH2 TRP 42 HH TRP 42 3.247 -1.475 -7.880 336 H GLN 43 H GLN 43 5.949 -6.245 -1.779 337 HA GLN 43 HA GLN 43 6.194 -3.443 -1.677 338 1HB GLN 43 2HB GLN 43 7.086 -5.569 0.269 339 2HB GLN 43 1HB GLN 43 7.150 -3.846 0.612 340 1HG GLN 43 2HG GLN 43 4.664 -5.421 -0.028 341 2HG GLN 43 1HG GLN 43 5.171 -4.893 1.575 342 1HE2 GLN 43 1HE2 GLN 43 5.020 -2.712 2.119 343 2HE2 GLN 43 2HE2 GLN 43 4.065 -1.602 1.204 344 H HIS 44 H HIS 44 8.616 -6.002 -1.921 345 HA HIS 44 HA HIS 44 10.888 -4.338 -1.725 346 1HB HIS 44 2HB HIS 44 11.133 -6.728 -1.497 347 2HB HIS 44 1HB HIS 44 10.475 -6.997 -3.105 348 HD1 HIS 44 1HD HIS 44 13.566 -5.597 -1.417 349 HD2 HIS 44 2HD HIS 44 12.321 -7.009 -5.125 350 HE1 HIS 44 1HE HIS 44 15.644 -5.732 -2.824 351 HE2 HIS 44 2HE HIS 44 14.890 -6.772 -4.993 352 H LYS 45 H LYS 45 8.895 -5.356 -4.458 353 HA LYS 45 HA LYS 45 10.480 -4.191 -6.479 354 1HB LYS 45 2HB LYS 45 8.723 -5.875 -6.906 355 2HB LYS 45 1HB LYS 45 7.499 -4.696 -6.458 356 1HG LYS 45 2HG LYS 45 7.682 -4.922 -8.872 357 2HG LYS 45 1HG LYS 45 8.128 -3.297 -8.344 358 1HD LYS 45 2HD LYS 45 10.485 -3.863 -8.522 359 2HD LYS 45 1HD LYS 45 10.070 -5.515 -8.973 360 1HE LYS 45 2HE LYS 45 9.422 -3.020 -10.538 361 2HE LYS 45 1HE LYS 45 10.674 -4.196 -10.930 362 1HZ LYS 45 1HZ LYS 45 8.879 -5.878 -11.115 363 2HZ LYS 45 2HZ LYS 45 8.787 -4.650 -12.270 364 3HZ LYS 45 3HZ LYS 45 7.741 -4.637 -10.946 365 H GLN 46 H GLN 46 7.668 -2.988 -4.679 366 HA GLN 46 HA GLN 46 7.483 -0.508 -5.978 367 1HB GLN 46 2HB GLN 46 5.690 -1.381 -4.565 368 2HB GLN 46 1HB GLN 46 6.718 -1.245 -3.145 369 1HG GLN 46 2HG GLN 46 5.121 0.573 -3.228 370 2HG GLN 46 1HG GLN 46 6.765 1.181 -3.399 371 1HE2 GLN 46 1HE2 GLN 46 5.007 -0.389 -5.981 372 2HE2 GLN 46 2HE2 GLN 46 4.829 1.015 -6.971 373 H THR 47 H THR 47 9.311 -1.510 -3.111 374 HA THR 47 HA THR 47 10.333 0.983 -2.367 375 HB THR 47 HB THR 47 11.748 -1.685 -2.119 376 HG1 THR 47 1HG THR 47 9.637 -1.703 -1.168 377 1HG2 THR 47 1HG2 THR 47 12.834 -0.651 -0.172 378 2HG2 THR 47 2HG2 THR 47 12.016 0.871 -0.528 379 3HG2 THR 47 3HG2 THR 47 13.204 0.223 -1.660 380 H MET 48 H MET 48 11.446 -1.331 -4.783 381 HA MET 48 HA MET 48 13.906 -0.098 -5.370 382 1HB MET 48 2HB MET 48 13.253 -2.403 -6.067 383 2HB MET 48 1HB MET 48 12.156 -1.697 -7.247 384 1HG MET 48 2HG MET 48 14.204 -2.381 -8.318 385 2HG MET 48 1HG MET 48 14.061 -0.623 -8.357 386 1HE MET 48 1HE MET 48 16.801 -2.171 -8.935 387 2HE MET 48 2HE MET 48 17.919 -1.133 -8.051 388 3HE MET 48 3HE MET 48 16.604 -0.420 -8.985 389 H LEU 49 H LEU 49 10.653 0.346 -6.691 390 HA LEU 49 HA LEU 49 11.422 2.240 -8.669 391 1HB LEU 49 2HB LEU 49 8.833 1.351 -7.495 392 2HB LEU 49 1HB LEU 49 8.865 2.871 -8.366 393 HG LEU 49 HG LEU 49 9.721 1.699 -10.361 394 1HD1 LEU 49 1HD1 LEU 49 9.280 -0.814 -8.758 395 2HD1 LEU 49 2HD1 LEU 49 10.848 -0.156 -9.227 396 3HD1 LEU 49 3HD1 LEU 49 9.724 -0.724 -10.463 397 1HD2 LEU 49 1HD2 LEU 49 7.334 2.069 -10.095 398 2HD2 LEU 49 2HD2 LEU 49 7.183 0.548 -9.216 399 3HD2 LEU 49 3HD2 LEU 49 7.641 0.542 -10.919 400 H ILE 50 H ILE 50 10.492 2.458 -5.307 401 HA ILE 50 HA ILE 50 10.272 5.268 -5.157 402 HB ILE 50 HB ILE 50 11.117 3.307 -3.014 403 1HG1 ILE 50 2HG1 ILE 50 8.424 4.555 -3.605 404 2HG1 ILE 50 1HG1 ILE 50 8.869 2.888 -3.947 405 1HG2 ILE 50 1HG2 ILE 50 10.481 5.066 -1.421 406 2HG2 ILE 50 2HG2 ILE 50 10.195 6.170 -2.766 407 3HG2 ILE 50 3HG2 ILE 50 11.823 5.567 -2.452 408 1HD1 ILE 50 1HD1 ILE 50 8.667 4.160 -1.226 409 2HD1 ILE 50 2HD1 ILE 50 9.173 2.501 -1.539 410 3HD1 ILE 50 3HD1 ILE 50 7.533 3.013 -1.938 411 H ASN 51 H ASN 51 13.009 3.058 -4.924 412 HA ASN 51 HA ASN 51 14.935 5.052 -4.228 413 1HB ASN 51 2HB ASN 51 15.321 2.332 -5.511 414 2HB ASN 51 1HB ASN 51 16.616 3.337 -4.879 415 1HD2 ASN 51 1HD2 ASN 51 15.016 4.206 -2.580 416 2HD2 ASN 51 2HD2 ASN 51 14.972 2.856 -1.503 417 H GLU 52 H GLU 52 13.672 3.746 -7.194 418 HA GLU 52 HA GLU 52 15.623 4.821 -8.955 419 1HB GLU 52 2HB GLU 52 14.162 2.907 -9.504 420 2HB GLU 52 1HB GLU 52 12.768 3.973 -9.489 421 1HG GLU 52 2HG GLU 52 13.814 5.257 -11.341 422 2HG GLU 52 1HG GLU 52 15.082 4.033 -11.407 423 H LYS 53 H LYS 53 12.271 5.803 -8.232 424 HA LYS 53 HA LYS 53 12.646 8.193 -9.844 425 1HB LYS 53 2HB LYS 53 10.168 7.174 -8.446 426 2HB LYS 53 1HB LYS 53 10.233 8.497 -9.605 427 1HG LYS 53 2HG LYS 53 11.122 6.859 -11.280 428 2HG LYS 53 1HG LYS 53 10.774 5.584 -10.112 429 1HD LYS 53 2HD LYS 53 8.717 7.523 -11.174 430 2HD LYS 53 1HD LYS 53 9.006 5.924 -11.852 431 1HE LYS 53 2HE LYS 53 8.432 4.918 -9.685 432 2HE LYS 53 1HE LYS 53 8.117 6.526 -9.033 433 1HZ LYS 53 1HZ LYS 53 6.073 5.426 -9.728 434 2HZ LYS 53 2HZ LYS 53 6.664 5.274 -11.303 435 3HZ LYS 53 3HZ LYS 53 6.356 6.806 -10.662 436 H LYS 54 H LYS 54 12.882 7.328 -6.598 437 HA LYS 54 HA LYS 54 13.214 8.472 -4.675 438 1HB LYS 54 2HB LYS 54 13.826 10.772 -6.540 439 2HB LYS 54 1HB LYS 54 14.255 10.692 -4.837 440 1HG LYS 54 2HG LYS 54 15.725 8.815 -5.263 441 2HG LYS 54 1HG LYS 54 15.251 8.805 -6.963 442 1HD LYS 54 2HD LYS 54 16.151 11.100 -7.183 443 2HD LYS 54 1HD LYS 54 16.699 11.019 -5.509 444 1HE LYS 54 2HE LYS 54 18.144 9.138 -6.056 445 2HE LYS 54 1HE LYS 54 17.568 9.161 -7.721 446 1HZ LYS 54 1HZ LYS 54 19.089 11.327 -6.372 447 2HZ LYS 54 2HZ LYS 54 18.505 11.391 -7.954 448 3HZ LYS 54 3HZ LYS 54 19.695 10.263 -7.539 449 H LEU 55 H LEU 55 10.866 8.218 -4.343 450 HA LEU 55 HA LEU 55 9.518 10.833 -4.342 451 1HB LEU 55 2HB LEU 55 7.388 9.629 -4.718 452 2HB LEU 55 1HB LEU 55 8.508 9.515 -6.059 453 HG LEU 55 HG LEU 55 9.156 7.226 -4.929 454 1HD1 LEU 55 1HD1 LEU 55 7.198 6.136 -3.917 455 2HD1 LEU 55 2HD1 LEU 55 6.358 7.685 -3.914 456 3HD1 LEU 55 3HD1 LEU 55 7.811 7.469 -2.938 457 1HD2 LEU 55 1HD2 LEU 55 8.220 7.495 -7.165 458 2HD2 LEU 55 2HD2 LEU 55 6.601 7.615 -6.475 459 3HD2 LEU 55 3HD2 LEU 55 7.512 6.112 -6.333 460 H ASN 56 H ASN 56 7.987 11.211 -2.660 461 HA ASN 56 HA ASN 56 8.419 9.511 -0.296 462 1HB ASN 56 2HB ASN 56 7.929 12.474 -0.524 463 2HB ASN 56 1HB ASN 56 7.694 11.608 0.988 464 1HD2 ASN 56 1HD2 ASN 56 9.904 9.782 0.559 465 2HD2 ASN 56 2HD2 ASN 56 11.349 10.701 0.795 466 H MET 57 H MET 57 6.693 8.861 0.921 467 HA MET 57 HA MET 57 4.144 8.860 -0.463 468 1HB MET 57 2HB MET 57 5.036 7.469 2.070 469 2HB MET 57 1HB MET 57 3.455 7.269 1.325 470 1HG MET 57 2HG MET 57 6.111 6.529 0.117 471 2HG MET 57 1HG MET 57 4.894 5.423 0.752 472 1HE MET 57 1HE MET 57 6.142 5.088 -2.149 473 2HE MET 57 2HE MET 57 4.691 4.720 -3.081 474 3HE MET 57 3HE MET 57 4.906 4.023 -1.475 475 H MET 58 H MET 58 5.527 11.060 1.377 476 HA MET 58 HA MET 58 3.445 11.595 3.286 477 1HB MET 58 2HB MET 58 5.772 13.280 2.347 478 2HB MET 58 1HB MET 58 4.669 13.745 3.635 479 1HG MET 58 2HG MET 58 5.351 11.749 4.902 480 2HG MET 58 1HG MET 58 6.503 11.361 3.626 481 1HE MET 58 1HE MET 58 8.595 12.891 3.009 482 2HE MET 58 2HE MET 58 8.982 14.395 3.843 483 3HE MET 58 3HE MET 58 7.546 14.298 2.825 484 H ASN 59 H ASN 59 3.779 12.061 -0.015 485 HA ASN 59 HA ASN 59 1.858 14.284 -0.025 486 1HB ASN 59 2HB ASN 59 3.473 13.155 -2.323 487 2HB ASN 59 1HB ASN 59 2.388 14.534 -2.411 488 1HD2 ASN 59 1HD2 ASN 59 5.086 14.545 -3.160 489 2HD2 ASN 59 2HD2 ASN 59 5.936 15.630 -2.108 490 H ALA 60 H ALA 60 -0.095 14.084 -1.112 491 HA ALA 60 HA ALA 60 -1.339 11.570 -1.019 492 1HB ALA 60 1HB ALA 60 -3.239 12.656 -2.043 493 2HB ALA 60 2HB ALA 60 -2.229 14.008 -2.550 494 3HB ALA 60 3HB ALA 60 -2.524 13.721 -0.835 495 H GLU 61 H GLU 61 0.376 13.211 -3.544 496 HA GLU 61 HA GLU 61 -0.362 12.029 -5.887 497 1HB GLU 61 2HB GLU 61 2.553 12.102 -5.181 498 2HB GLU 61 1HB GLU 61 1.784 12.467 -6.715 499 1HG GLU 61 2HG GLU 61 1.078 14.592 -5.959 500 2HG GLU 61 1HG GLU 61 1.486 14.206 -4.287 501 H HIS 62 H HIS 62 1.947 10.723 -3.543 502 HA HIS 62 HA HIS 62 2.123 8.282 -5.122 503 1HB HIS 62 2HB HIS 62 3.798 9.059 -2.734 504 2HB HIS 62 1HB HIS 62 4.152 7.814 -3.930 505 HD1 HIS 62 1HD HIS 62 4.678 8.773 -6.440 506 HD2 HIS 62 2HD HIS 62 4.753 11.531 -3.326 507 HE1 HIS 62 1HE HIS 62 5.828 10.809 -7.362 508 HE2 HIS 62 2HE HIS 62 5.656 12.530 -5.528 509 H ARG 63 H ARG 63 0.743 9.468 -2.204 510 HA ARG 63 HA ARG 63 0.438 7.032 -0.821 511 1HB ARG 63 2HB ARG 63 -0.024 9.320 0.122 512 2HB ARG 63 1HB ARG 63 -1.488 9.372 -0.843 513 1HG ARG 63 2HG ARG 63 -1.004 7.191 1.166 514 2HG ARG 63 1HG ARG 63 -1.703 8.744 1.620 515 1HD ARG 63 2HD ARG 63 -3.552 8.410 0.117 516 2HD ARG 63 1HD ARG 63 -2.823 6.936 -0.515 517 HE ARG 63 HE ARG 63 -3.781 7.204 2.267 518 1HH1 ARG 63 1HH1 ARG 63 -3.318 5.331 -0.644 519 2HH1 ARG 63 2HH1 ARG 63 -4.284 3.986 -0.097 520 1HH2 ARG 63 1HH2 ARG 63 -5.019 5.410 3.007 521 2HH2 ARG 63 2HH2 ARG 63 -5.221 4.032 1.971 522 H LYS 64 H LYS 64 -1.583 8.667 -3.261 523 HA LYS 64 HA LYS 64 -3.444 6.496 -3.391 524 1HB LYS 64 2HB LYS 64 -4.381 7.624 -5.338 525 2HB LYS 64 1HB LYS 64 -4.133 8.760 -4.022 526 1HG LYS 64 2HG LYS 64 -2.177 9.648 -5.088 527 2HG LYS 64 1HG LYS 64 -2.256 8.415 -6.347 528 1HD LYS 64 2HD LYS 64 -4.401 9.321 -7.101 529 2HD LYS 64 1HD LYS 64 -4.325 10.551 -5.837 530 1HE LYS 64 2HE LYS 64 -3.607 11.357 -8.078 531 2HE LYS 64 1HE LYS 64 -2.377 11.535 -6.827 532 1HZ LYS 64 1HZ LYS 64 -1.264 9.584 -7.648 533 2HZ LYS 64 2HZ LYS 64 -1.487 10.663 -8.929 534 3HZ LYS 64 3HZ LYS 64 -2.483 9.303 -8.786 535 H LEU 65 H LEU 65 -0.473 7.350 -5.054 536 HA LEU 65 HA LEU 65 -0.524 5.539 -7.169 537 1HB LEU 65 2HB LEU 65 1.272 7.135 -6.929 538 2HB LEU 65 1HB LEU 65 1.778 6.400 -5.420 539 HG LEU 65 HG LEU 65 2.322 4.315 -6.723 540 1HD1 LEU 65 1HD1 LEU 65 2.670 4.570 -9.140 541 2HD1 LEU 65 2HD1 LEU 65 1.911 6.161 -9.069 542 3HD1 LEU 65 3HD1 LEU 65 0.972 4.719 -8.688 543 1HD2 LEU 65 1HD2 LEU 65 3.797 6.855 -7.384 544 2HD2 LEU 65 2HD2 LEU 65 4.436 5.227 -7.598 545 3HD2 LEU 65 3HD2 LEU 65 4.055 5.821 -5.981 546 H LEU 66 H LEU 66 0.868 5.006 -3.924 547 HA LEU 66 HA LEU 66 1.314 2.258 -4.261 548 1HB LEU 66 2HB LEU 66 2.336 3.667 -2.484 549 2HB LEU 66 1HB LEU 66 0.776 3.750 -1.688 550 HG LEU 66 HG LEU 66 1.931 1.046 -2.205 551 1HD1 LEU 66 1HD1 LEU 66 3.846 2.226 -1.326 552 2HD1 LEU 66 2HD1 LEU 66 3.180 1.175 -0.076 553 3HD1 LEU 66 3HD1 LEU 66 2.870 2.912 -0.025 554 1HD2 LEU 66 1HD2 LEU 66 0.843 0.549 -0.075 555 2HD2 LEU 66 2HD2 LEU 66 -0.293 1.283 -1.207 556 3HD2 LEU 66 3HD2 LEU 66 0.393 2.246 0.103 557 H GLU 67 H GLU 67 -1.448 4.048 -2.980 558 HA GLU 67 HA GLU 67 -3.117 2.030 -2.143 559 1HB GLU 67 2HB GLU 67 -3.693 4.398 -1.992 560 2HB GLU 67 1HB GLU 67 -3.817 4.500 -3.740 561 1HG GLU 67 2HG GLU 67 -5.996 4.419 -2.598 562 2HG GLU 67 1HG GLU 67 -5.758 3.102 -3.748 563 H GLN 68 H GLN 68 -3.028 3.408 -5.406 564 HA GLN 68 HA GLN 68 -4.771 1.609 -6.620 565 1HB GLN 68 2HB GLN 68 -2.466 3.183 -7.778 566 2HB GLN 68 1HB GLN 68 -3.656 2.330 -8.748 567 1HG GLN 68 2HG GLN 68 -5.423 3.737 -7.843 568 2HG GLN 68 1HG GLN 68 -4.247 4.574 -6.832 569 1HE2 GLN 68 1HE2 GLN 68 -5.462 4.135 -10.053 570 2HE2 GLN 68 2HE2 GLN 68 -4.672 5.500 -10.754 571 H GLU 69 H GLU 69 -1.213 1.616 -6.761 572 HA GLU 69 HA GLU 69 -1.019 -0.703 -8.314 573 1HB GLU 69 2HB GLU 69 0.945 0.731 -6.547 574 2HB GLU 69 1HB GLU 69 1.388 -0.682 -7.497 575 1HG GLU 69 2HG GLU 69 0.138 1.745 -8.737 576 2HG GLU 69 1HG GLU 69 1.880 1.591 -8.503 577 H MET 70 H MET 70 -0.815 -0.312 -4.783 578 HA MET 70 HA MET 70 0.106 -2.903 -4.214 579 1HB MET 70 2HB MET 70 0.179 -1.103 -2.560 580 2HB MET 70 1HB MET 70 -1.577 -1.072 -2.497 581 1HG MET 70 2HG MET 70 -1.577 -3.359 -1.616 582 2HG MET 70 1HG MET 70 0.186 -3.362 -1.655 583 1HE MET 70 1HE MET 70 -2.347 -0.650 1.100 584 2HE MET 70 2HE MET 70 -3.028 -1.824 -0.026 585 3HE MET 70 3HE MET 70 -2.226 -0.377 -0.638 586 H VAL 71 H VAL 71 -3.228 -1.634 -3.934 587 HA VAL 71 HA VAL 71 -4.294 -4.207 -3.377 588 HB VAL 71 HB VAL 71 -5.749 -1.732 -4.327 589 1HG1 VAL 71 1HG1 VAL 71 -6.814 -4.193 -2.954 590 2HG1 VAL 71 2HG1 VAL 71 -7.079 -3.756 -4.641 591 3HG1 VAL 71 3HG1 VAL 71 -7.742 -2.747 -3.354 592 1HG2 VAL 71 1HG2 VAL 71 -6.247 -1.356 -1.970 593 2HG2 VAL 71 2HG2 VAL 71 -4.508 -1.349 -2.262 594 3HG2 VAL 71 3HG2 VAL 71 -5.274 -2.761 -1.535 595 H SER 72 H SER 72 -3.513 -2.572 -6.330 596 HA SER 72 HA SER 72 -5.200 -4.167 -8.007 597 1HB SER 72 2HB SER 72 -4.285 -1.924 -8.658 598 2HB SER 72 1HB SER 72 -2.695 -2.671 -8.800 599 HG SER 72 HG SER 72 -4.038 -4.218 -10.266 600 H PHE 73 H PHE 73 -1.682 -4.187 -7.347 601 HA PHE 73 HA PHE 73 -1.159 -6.464 -8.927 602 1HB PHE 73 2HB PHE 73 0.558 -4.808 -8.205 603 2HB PHE 73 1HB PHE 73 0.431 -5.433 -6.566 604 HD1 PHE 73 1HD PHE 73 1.436 -6.271 -10.013 605 HD2 PHE 73 2HD PHE 73 1.579 -7.385 -5.911 606 HE1 PHE 73 1HE PHE 73 3.156 -7.948 -10.534 607 HE2 PHE 73 2HE PHE 73 3.301 -9.067 -6.422 608 HZ PHE 73 HZ PHE 73 4.094 -9.348 -8.736 609 H LEU 74 H LEU 74 -2.318 -6.096 -5.687 610 HA LEU 74 HA LEU 74 -1.676 -8.853 -5.015 611 1HB LEU 74 2HB LEU 74 -2.825 -6.613 -3.365 612 2HB LEU 74 1HB LEU 74 -2.472 -8.217 -2.756 613 HG LEU 74 HG LEU 74 -0.442 -6.251 -3.839 614 1HD1 LEU 74 1HD1 LEU 74 -1.301 -5.593 -1.667 615 2HD1 LEU 74 2HD1 LEU 74 0.360 -6.172 -1.525 616 3HD1 LEU 74 3HD1 LEU 74 -0.982 -7.205 -1.032 617 1HD2 LEU 74 1HD2 LEU 74 1.227 -7.860 -3.029 618 2HD2 LEU 74 2HD2 LEU 74 0.234 -8.526 -4.323 619 3HD2 LEU 74 3HD2 LEU 74 -0.066 -8.997 -2.650 620 H PHE 75 H PHE 75 -4.483 -6.909 -5.834 621 HA PHE 75 HA PHE 75 -6.185 -9.256 -5.269 622 1HB PHE 75 2HB PHE 75 -6.905 -6.320 -5.253 623 2HB PHE 75 1HB PHE 75 -8.098 -7.612 -5.215 624 HD1 PHE 75 1HD PHE 75 -8.638 -8.716 -3.221 625 HD2 PHE 75 2HD PHE 75 -5.288 -6.098 -3.353 626 HE1 PHE 75 1HE PHE 75 -8.485 -8.794 -0.769 627 HE2 PHE 75 2HE PHE 75 -5.129 -6.172 -0.899 628 HZ PHE 75 HZ PHE 75 -6.735 -7.521 0.393 629 H GLU 76 H GLU 76 -5.607 -6.618 -7.529 630 HA GLU 76 HA GLU 76 -6.095 -6.277 -9.696 631 1HB GLU 76 2HB GLU 76 -6.112 -9.255 -9.559 632 2HB GLU 76 1HB GLU 76 -6.725 -8.481 -11.016 633 1HG GLU 76 2HG GLU 76 -4.008 -7.970 -9.825 634 2HG GLU 76 1HG GLU 76 -4.335 -9.093 -11.146 635 H GLY 77 H GLY 77 -7.843 -5.027 -9.704 636 1HA GLY 77 2HA GLY 77 -10.059 -5.170 -10.903 637 2HA GLY 77 1HA GLY 77 -10.469 -6.373 -9.690 638 H LYS 78 H LYS 78 -8.854 -3.207 -9.427 639 HA LYS 78 HA LYS 78 -10.453 -2.546 -7.125 640 1HB LYS 78 2HB LYS 78 -8.509 -0.836 -8.687 641 2HB LYS 78 1HB LYS 78 -9.248 -0.396 -7.157 642 1HG LYS 78 2HG LYS 78 -8.152 -2.474 -6.211 643 2HG LYS 78 1HG LYS 78 -7.200 -2.510 -7.698 644 1HD LYS 78 2HD LYS 78 -5.891 -1.321 -6.120 645 2HD LYS 78 1HD LYS 78 -6.576 -0.105 -7.196 646 1HE LYS 78 2HE LYS 78 -8.278 0.448 -5.586 647 2HE LYS 78 1HE LYS 78 -7.767 -0.865 -4.528 648 1HZ LYS 78 1HZ LYS 78 -6.368 1.670 -5.111 649 2HZ LYS 78 2HZ LYS 78 -5.544 0.344 -4.470 650 3HZ LYS 78 3HZ LYS 78 -6.821 1.040 -3.600 651 H ASP 79 H ASP 79 -11.518 -0.366 -7.004 652 HA ASP 79 HA ASP 79 -13.166 0.082 -9.361 653 1HB ASP 79 2HB ASP 79 -13.273 1.292 -6.587 654 2HB ASP 79 1HB ASP 79 -14.400 1.678 -7.886 655 H VAL 80 H VAL 80 -10.529 1.460 -7.619 656 HA VAL 80 HA VAL 80 -10.489 3.930 -9.106 657 HB VAL 80 HB VAL 80 -8.271 2.670 -7.467 658 1HG1 VAL 80 1HG1 VAL 80 -8.674 5.518 -8.384 659 2HG1 VAL 80 2HG1 VAL 80 -7.494 4.379 -9.032 660 3HG1 VAL 80 3HG1 VAL 80 -7.357 4.935 -7.364 661 1HG2 VAL 80 1HG2 VAL 80 -8.994 4.194 -5.669 662 2HG2 VAL 80 2HG2 VAL 80 -10.231 3.008 -6.081 663 3HG2 VAL 80 3HG2 VAL 80 -10.380 4.670 -6.650 664 H HIS 81 H HIS 81 -9.825 4.066 -11.152 665 HA HIS 81 HA HIS 81 -8.788 1.702 -12.439 666 1HB HIS 81 2HB HIS 81 -9.467 4.423 -13.575 667 2HB HIS 81 1HB HIS 81 -9.065 2.996 -14.525 668 HD1 HIS 81 1HD HIS 81 -11.878 4.742 -13.015 669 HD2 HIS 81 2HD HIS 81 -11.033 0.854 -14.210 670 HE1 HIS 81 1HE HIS 81 -14.101 3.580 -13.152 671 HE2 HIS 81 2HE HIS 81 -13.575 1.306 -14.092 672 H ILE 82 H ILE 82 -6.749 1.298 -12.966 673 HA ILE 82 HA ILE 82 -4.776 3.438 -12.621 674 HB ILE 82 HB ILE 82 -4.236 0.486 -12.976 675 1HG1 ILE 82 2HG1 ILE 82 -4.458 2.150 -10.465 676 2HG1 ILE 82 1HG1 ILE 82 -5.527 0.839 -10.949 677 1HG2 ILE 82 1HG2 ILE 82 -2.370 1.945 -13.570 678 2HG2 ILE 82 2HG2 ILE 82 -2.022 1.049 -12.090 679 3HG2 ILE 82 3HG2 ILE 82 -2.489 2.748 -12.004 680 1HD1 ILE 82 1HD1 ILE 82 -3.708 -0.748 -10.716 681 2HD1 ILE 82 2HD1 ILE 82 -3.973 0.142 -9.217 682 3HD1 ILE 82 3HD1 ILE 82 -2.614 0.558 -10.261 683 H GLU 83 H GLU 83 -5.145 4.511 -14.526 684 HA GLU 83 HA GLU 83 -3.839 3.359 -16.839 685 1HB GLU 83 2HB GLU 83 -5.740 4.062 -18.337 686 2HB GLU 83 1HB GLU 83 -6.073 2.669 -17.321 687 1HG GLU 83 2HG GLU 83 -7.263 4.179 -15.746 688 2HG GLU 83 1HG GLU 83 -7.028 5.491 -16.901 689 H GLY 84 H GLY 84 -5.547 6.074 -15.394 690 1HA GLY 84 2HA GLY 84 -3.433 7.831 -16.442 691 2HA GLY 84 1HA GLY 84 -5.124 8.327 -16.468 692 H TYR 85 H TYR 85 -2.413 8.904 -14.883 693 HA TYR 85 HA TYR 85 -3.394 8.669 -12.175 694 1HB TYR 85 2HB TYR 85 -0.854 9.853 -13.301 695 2HB TYR 85 1HB TYR 85 -1.230 9.791 -11.583 696 HD1 TYR 85 1HD TYR 85 -1.482 7.548 -10.475 697 HD2 TYR 85 2HD TYR 85 0.042 7.971 -14.426 698 HE1 TYR 85 1HE TYR 85 -0.513 5.293 -10.337 699 HE2 TYR 85 2HE TYR 85 1.013 5.715 -14.299 700 HH TYR 85 HH TYR 85 0.226 3.498 -11.842 701 H THR 86 H THR 86 -5.256 9.947 -12.391 702 HA THR 86 HA THR 86 -5.138 12.707 -13.099 703 HB THR 86 HB THR 86 -7.318 11.350 -11.511 704 HG1 THR 86 1HG THR 86 -8.179 10.974 -13.727 705 1HG2 THR 86 1HG2 THR 86 -7.357 13.616 -13.513 706 2HG2 THR 86 2HG2 THR 86 -7.526 13.774 -11.765 707 3HG2 THR 86 3HG2 THR 86 -8.767 12.938 -12.698 708 HA PRO 87 HA PRO 87 -3.833 13.854 -8.941 709 1HB PRO 87 2HB PRO 87 -2.716 16.197 -9.581 710 2HB PRO 87 1HB PRO 87 -1.941 14.663 -9.992 711 1HG PRO 87 2HG PRO 87 -3.437 16.558 -11.732 712 2HG PRO 87 1HG PRO 87 -2.042 15.538 -12.121 713 1HD PRO 87 2HD PRO 87 -4.734 14.985 -12.711 714 2HD PRO 87 1HD PRO 87 -3.382 13.839 -12.798 715 H GLU 88 H GLU 88 -5.930 15.605 -11.104 716 HA GLU 88 HA GLU 88 -7.236 16.896 -8.828 717 1HB GLU 88 2HB GLU 88 -6.427 18.416 -11.316 718 2HB GLU 88 1HB GLU 88 -7.306 19.062 -9.943 719 1HG GLU 88 2HG GLU 88 -5.363 18.743 -8.523 720 2HG GLU 88 1HG GLU 88 -4.473 18.049 -9.877 721 H ASP 89 H ASP 89 -9.413 17.342 -9.175 722 HA ASP 89 HA ASP 89 -11.490 17.189 -10.041 723 1HB ASP 89 2HB ASP 89 -10.636 18.617 -11.837 724 2HB ASP 89 1HB ASP 89 -10.084 17.201 -12.722 725 H LYS 90 H LYS 90 -11.812 15.167 -9.105 726 HA LYS 90 HA LYS 90 -11.293 12.732 -10.492 727 1HB LYS 90 2HB LYS 90 -13.313 13.298 -8.310 728 2HB LYS 90 1HB LYS 90 -12.811 11.704 -8.847 729 1HG LYS 90 2HG LYS 90 -10.543 12.147 -8.063 730 2HG LYS 90 1HG LYS 90 -11.042 13.756 -7.529 731 1HD LYS 90 2HD LYS 90 -12.692 12.705 -6.018 732 2HD LYS 90 1HD LYS 90 -12.103 11.117 -6.512 733 1HE LYS 90 2HE LYS 90 -10.450 13.259 -5.178 734 2HE LYS 90 1HE LYS 90 -11.146 11.858 -4.366 735 1HZ LYS 90 1HZ LYS 90 -8.809 11.530 -4.936 736 2HZ LYS 90 2HZ LYS 90 -9.166 11.738 -6.574 737 3HZ LYS 90 3HZ LYS 90 -9.800 10.418 -5.735 738 H LYS 91 H LYS 91 -12.604 11.581 -11.874 739 HA LYS 91 HA LYS 91 -14.673 13.174 -13.131 740 1HB LYS 91 2HB LYS 91 -13.743 10.442 -14.004 741 2HB LYS 91 1HB LYS 91 -14.560 11.663 -14.965 742 1HG LYS 91 2HG LYS 91 -11.721 11.698 -13.976 743 2HG LYS 91 1HG LYS 91 -12.288 11.620 -15.642 744 1HD LYS 91 2HD LYS 91 -12.584 13.959 -13.755 745 2HD LYS 91 1HD LYS 91 -11.470 13.851 -15.117 746 1HE LYS 91 2HE LYS 91 -13.430 13.635 -16.626 747 2HE LYS 91 1HE LYS 91 -14.482 13.902 -15.239 748 1HZ LYS 91 1HZ LYS 91 -14.215 15.968 -16.314 749 2HZ LYS 91 2HZ LYS 91 -12.541 15.791 -16.428 750 3HZ LYS 91 3HZ LYS 91 -13.254 16.052 -14.915 Start of MODEL 14 1 1H MET 1 1HT MET 1 -0.524 -22.923 13.778 2 2H MET 1 2HT MET 1 0.054 -24.310 14.546 3 3H MET 1 3HT MET 1 -0.574 -24.412 12.980 4 HA MET 1 HA MET 1 1.887 -22.986 13.797 5 1HB MET 1 2HB MET 1 1.485 -25.461 12.103 6 2HB MET 1 1HB MET 1 3.019 -24.642 12.333 7 1HG MET 1 2HG MET 1 1.553 -25.569 14.739 8 2HG MET 1 1HG MET 1 2.334 -26.774 13.726 9 1HE MET 1 1HE MET 1 3.501 -23.041 14.797 10 2HE MET 1 2HE MET 1 4.450 -23.509 16.207 11 3HE MET 1 3HE MET 1 2.717 -23.825 16.166 12 H SER 2 H SER 2 0.249 -24.242 10.877 13 HA SER 2 HA SER 2 1.181 -21.824 9.482 14 1HB SER 2 2HB SER 2 0.527 -24.518 8.263 15 2HB SER 2 1HB SER 2 1.273 -23.141 7.454 16 HG SER 2 HG SER 2 2.793 -24.748 8.104 17 H ARG 3 H ARG 3 -0.403 -20.417 9.015 18 HA ARG 3 HA ARG 3 -3.096 -21.446 8.508 19 1HB ARG 3 2HB ARG 3 -2.858 -19.485 10.018 20 2HB ARG 3 1HB ARG 3 -2.145 -18.577 8.690 21 1HG ARG 3 2HG ARG 3 -4.217 -18.760 7.426 22 2HG ARG 3 1HG ARG 3 -4.935 -19.714 8.725 23 1HD ARG 3 2HD ARG 3 -5.670 -17.401 8.855 24 2HD ARG 3 1HD ARG 3 -4.677 -17.817 10.251 25 HE ARG 3 HE ARG 3 -3.211 -16.608 8.091 26 1HH1 ARG 3 1HH1 ARG 3 -5.085 -16.007 10.984 27 2HH1 ARG 3 2HH1 ARG 3 -4.387 -14.448 11.263 28 1HH2 ARG 3 1HH2 ARG 3 -2.275 -14.554 8.466 29 2HH2 ARG 3 2HH2 ARG 3 -2.762 -13.636 9.853 30 H THR 4 H THR 4 -2.874 -22.380 6.533 31 HA THR 4 HA THR 4 -1.617 -20.887 4.373 32 HB THR 4 HB THR 4 -2.800 -23.631 4.081 33 HG1 THR 4 1HG THR 4 -1.214 -24.508 5.236 34 1HG2 THR 4 1HG2 THR 4 -1.891 -22.534 2.097 35 2HG2 THR 4 2HG2 THR 4 -0.886 -23.909 2.556 36 3HG2 THR 4 3HG2 THR 4 -0.360 -22.269 2.933 37 H ILE 5 H ILE 5 -2.749 -19.838 2.860 38 HA ILE 5 HA ILE 5 -5.635 -20.373 2.663 39 HB ILE 5 HB ILE 5 -5.933 -17.865 2.347 40 1HG1 ILE 5 2HG1 ILE 5 -4.199 -16.551 3.753 41 2HG1 ILE 5 1HG1 ILE 5 -3.131 -17.914 3.454 42 1HG2 ILE 5 1HG2 ILE 5 -6.064 -17.448 4.771 43 2HG2 ILE 5 2HG2 ILE 5 -5.157 -18.934 5.051 44 3HG2 ILE 5 3HG2 ILE 5 -6.751 -19.003 4.302 45 1HD1 ILE 5 1HD1 ILE 5 -3.338 -17.531 1.044 46 2HD1 ILE 5 2HD1 ILE 5 -2.714 -16.114 1.889 47 3HD1 ILE 5 3HD1 ILE 5 -4.396 -16.157 1.363 48 H PHE 6 H PHE 6 -6.568 -19.129 0.711 49 HA PHE 6 HA PHE 6 -4.825 -19.616 -1.573 50 1HB PHE 6 2HB PHE 6 -7.776 -18.955 -1.426 51 2HB PHE 6 1HB PHE 6 -6.890 -19.243 -2.919 52 HD1 PHE 6 1HD PHE 6 -8.455 -20.761 -0.015 53 HD2 PHE 6 2HD PHE 6 -6.026 -21.483 -3.434 54 HE1 PHE 6 1HE PHE 6 -8.891 -23.173 0.190 55 HE2 PHE 6 2HE PHE 6 -6.456 -23.898 -3.233 56 HZ PHE 6 HZ PHE 6 -7.890 -24.746 -1.422 57 H CYS 7 H CYS 7 -3.510 -17.984 -2.011 58 HA CYS 7 HA CYS 7 -4.251 -15.261 -1.402 59 1HB CYS 7 2HB CYS 7 -1.953 -14.749 -2.279 60 2HB CYS 7 1HB CYS 7 -1.987 -15.885 -0.937 61 HG CYS 7 HG CYS 7 -1.828 -18.123 -2.785 62 H THR 8 H THR 8 -4.665 -13.623 -2.850 63 HA THR 8 HA THR 8 -5.847 -14.481 -5.307 64 HB THR 8 HB THR 8 -6.245 -11.967 -5.593 65 HG1 THR 8 1HG THR 8 -4.999 -10.856 -4.253 66 1HG2 THR 8 1HG2 THR 8 -7.284 -13.369 -3.129 67 2HG2 THR 8 2HG2 THR 8 -7.930 -13.538 -4.761 68 3HG2 THR 8 3HG2 THR 8 -8.039 -11.990 -3.925 69 H TYR 9 H TYR 9 -2.735 -13.225 -4.490 70 HA TYR 9 HA TYR 9 -2.146 -12.203 -7.093 71 1HB TYR 9 2HB TYR 9 -0.899 -11.372 -5.173 72 2HB TYR 9 1HB TYR 9 -0.285 -12.988 -4.838 73 HD1 TYR 9 1HD TYR 9 1.915 -13.317 -5.430 74 HD2 TYR 9 2HD TYR 9 -0.455 -10.704 -7.799 75 HE1 TYR 9 1HE TYR 9 3.848 -12.903 -6.893 76 HE2 TYR 9 2HE TYR 9 1.469 -10.279 -9.270 77 HH TYR 9 HH TYR 9 4.377 -12.136 -9.085 78 H LEU 10 H LEU 10 -1.272 -15.198 -5.381 79 HA LEU 10 HA LEU 10 -0.102 -16.297 -7.794 80 1HB LEU 10 2HB LEU 10 -0.534 -17.602 -5.108 81 2HB LEU 10 1HB LEU 10 0.465 -18.218 -6.411 82 HG LEU 10 HG LEU 10 0.985 -15.709 -4.804 83 1HD1 LEU 10 1HD1 LEU 10 2.399 -18.368 -4.865 84 2HD1 LEU 10 2HD1 LEU 10 1.401 -17.749 -3.551 85 3HD1 LEU 10 3HD1 LEU 10 2.918 -16.947 -3.960 86 1HD2 LEU 10 1HD2 LEU 10 1.744 -15.440 -7.101 87 2HD2 LEU 10 2HD2 LEU 10 2.599 -16.977 -7.014 88 3HD2 LEU 10 3HD2 LEU 10 3.119 -15.625 -6.011 89 H GLN 11 H GLN 11 -3.102 -16.275 -6.174 90 HA GLN 11 HA GLN 11 -5.120 -17.194 -6.600 91 1HB GLN 11 2HB GLN 11 -3.766 -17.756 -9.224 92 2HB GLN 11 1HB GLN 11 -5.413 -18.291 -8.910 93 1HG GLN 11 2HG GLN 11 -4.446 -15.442 -8.782 94 2HG GLN 11 1HG GLN 11 -5.337 -16.168 -10.119 95 1HE2 GLN 11 1HE2 GLN 11 -6.025 -13.908 -8.406 96 2HE2 GLN 11 2HE2 GLN 11 -7.555 -14.303 -7.694 97 H ARG 12 H ARG 12 -2.977 -18.728 -5.301 98 HA ARG 12 HA ARG 12 -4.409 -21.212 -5.270 99 1HB ARG 12 2HB ARG 12 -2.541 -22.669 -5.743 100 2HB ARG 12 1HB ARG 12 -2.828 -21.601 -7.101 101 1HG ARG 12 2HG ARG 12 -0.941 -20.198 -6.359 102 2HG ARG 12 1HG ARG 12 -0.627 -21.359 -5.066 103 1HD ARG 12 2HD ARG 12 -0.503 -23.124 -6.891 104 2HD ARG 12 1HD ARG 12 -0.457 -21.789 -8.038 105 HE ARG 12 HE ARG 12 1.531 -21.678 -5.939 106 1HH1 ARG 12 1HH1 ARG 12 0.778 -22.670 -9.207 107 2HH1 ARG 12 2HH1 ARG 12 2.439 -22.864 -9.668 108 1HH2 ARG 12 1HH2 ARG 12 3.718 -21.944 -6.532 109 2HH2 ARG 12 2HH2 ARG 12 4.118 -22.453 -8.141 110 H ASP 13 H ASP 13 -3.089 -22.786 -3.778 111 HA ASP 13 HA ASP 13 -3.392 -21.636 -1.218 112 1HB ASP 13 2HB ASP 13 -3.977 -23.943 -1.696 113 2HB ASP 13 1HB ASP 13 -2.311 -24.312 -2.116 114 H ALA 14 H ALA 14 -1.977 -20.609 0.026 115 HA ALA 14 HA ALA 14 0.839 -21.277 0.046 116 1HB ALA 14 1HB ALA 14 0.724 -19.744 -1.850 117 2HB ALA 14 2HB ALA 14 1.610 -19.027 -0.505 118 3HB ALA 14 3HB ALA 14 -0.053 -18.533 -0.830 119 H GLU 15 H GLU 15 1.998 -19.819 1.698 120 HA GLU 15 HA GLU 15 0.463 -19.861 4.100 121 1HB GLU 15 2HB GLU 15 3.218 -18.785 3.497 122 2HB GLU 15 1HB GLU 15 2.496 -18.714 5.095 123 1HG GLU 15 2HG GLU 15 3.891 -20.583 5.125 124 2HG GLU 15 1HG GLU 15 2.259 -21.224 4.944 125 H GLY 16 H GLY 16 -0.807 -18.331 4.891 126 1HA GLY 16 2HA GLY 16 -1.094 -15.800 3.597 127 2HA GLY 16 1HA GLY 16 -1.879 -16.304 5.088 128 H GLN 17 H GLN 17 -0.839 -13.709 4.657 129 HA GLN 17 HA GLN 17 1.716 -13.428 5.854 130 1HB GLN 17 2HB GLN 17 0.574 -11.682 4.461 131 2HB GLN 17 1HB GLN 17 -0.514 -11.386 5.808 132 1HG GLN 17 2HG GLN 17 1.254 -9.728 5.731 133 2HG GLN 17 1HG GLN 17 1.364 -10.701 7.193 134 1HE2 GLN 17 1HE2 GLN 17 2.402 -11.758 4.014 135 2HE2 GLN 17 2HE2 GLN 17 4.089 -11.807 4.389 136 H ASP 18 H ASP 18 1.959 -12.199 8.030 137 HA ASP 18 HA ASP 18 1.013 -14.147 9.887 138 1HB ASP 18 2HB ASP 18 3.330 -13.136 9.843 139 2HB ASP 18 1HB ASP 18 2.627 -11.693 10.561 140 H PHE 19 H PHE 19 1.203 -10.797 10.980 141 HA PHE 19 HA PHE 19 -1.660 -10.762 11.491 142 1HB PHE 19 2HB PHE 19 0.413 -11.118 13.613 143 2HB PHE 19 1HB PHE 19 -1.011 -10.151 13.973 144 HD1 PHE 19 1HD PHE 19 0.305 -13.480 13.507 145 HD2 PHE 19 2HD PHE 19 -3.264 -11.186 13.842 146 HE1 PHE 19 1HE PHE 19 -0.965 -15.532 13.992 147 HE2 PHE 19 2HE PHE 19 -4.539 -13.232 14.323 148 HZ PHE 19 HZ PHE 19 -3.391 -15.407 14.400 149 H GLN 20 H GLN 20 -1.878 -8.770 13.254 150 HA GLN 20 HA GLN 20 -1.409 -6.486 11.635 151 1HB GLN 20 2HB GLN 20 -2.391 -6.682 14.490 152 2HB GLN 20 1HB GLN 20 -2.494 -5.254 13.466 153 1HG GLN 20 2HG GLN 20 -3.821 -7.892 12.886 154 2HG GLN 20 1HG GLN 20 -4.614 -6.492 13.609 155 1HE2 GLN 20 1HE2 GLN 20 -5.100 -4.737 12.348 156 2HE2 GLN 20 2HE2 GLN 20 -5.029 -4.771 10.620 157 H LEU 21 H LEU 21 0.772 -6.161 11.400 158 HA LEU 21 HA LEU 21 2.270 -5.549 13.842 159 1HB LEU 21 2HB LEU 21 4.246 -5.635 12.126 160 2HB LEU 21 1HB LEU 21 3.568 -7.105 12.794 161 HG LEU 21 HG LEU 21 2.198 -7.351 10.718 162 1HD1 LEU 21 1HD1 LEU 21 2.800 -6.086 8.741 163 2HD1 LEU 21 2HD1 LEU 21 3.924 -5.109 9.685 164 3HD1 LEU 21 3HD1 LEU 21 2.191 -5.016 10.003 165 1HD2 LEU 21 1HD2 LEU 21 4.062 -8.108 9.325 166 2HD2 LEU 21 2HD2 LEU 21 4.261 -8.585 11.010 167 3HD2 LEU 21 3HD2 LEU 21 5.186 -7.231 10.362 168 H TYR 22 H TYR 22 0.536 -3.969 11.547 169 HA TYR 22 HA TYR 22 1.604 -1.444 12.238 170 1HB TYR 22 2HB TYR 22 3.357 -2.145 10.643 171 2HB TYR 22 1HB TYR 22 2.139 -2.291 9.385 172 HD1 TYR 22 1HD TYR 22 3.670 0.155 11.720 173 HD2 TYR 22 2HD TYR 22 1.579 -0.446 8.065 174 HE1 TYR 22 1HE TYR 22 4.007 2.520 11.146 175 HE2 TYR 22 2HE TYR 22 1.910 1.919 7.480 176 HH TYR 22 HH TYR 22 4.072 3.940 9.160 177 HA PRO 23 HA PRO 23 -1.908 -0.621 9.192 178 1HB PRO 23 2HB PRO 23 -2.864 -2.867 7.761 179 2HB PRO 23 1HB PRO 23 -1.852 -1.564 7.144 180 1HG PRO 23 2HG PRO 23 -1.076 -4.225 7.436 181 2HG PRO 23 1HG PRO 23 0.015 -2.847 7.221 182 1HD PRO 23 2HD PRO 23 -0.758 -4.289 9.720 183 2HD PRO 23 1HD PRO 23 0.800 -3.569 9.265 184 H GLY 24 H GLY 24 -4.354 -1.227 8.749 185 1HA GLY 24 2HA GLY 24 -5.324 -2.420 11.269 186 2HA GLY 24 1HA GLY 24 -6.126 -1.116 10.410 187 H GLU 25 H GLU 25 -7.980 -1.792 9.600 188 HA GLU 25 HA GLU 25 -8.740 -4.470 9.418 189 1HB GLU 25 2HB GLU 25 -9.917 -1.888 8.523 190 2HB GLU 25 1HB GLU 25 -10.604 -3.372 7.879 191 1HG GLU 25 2HG GLU 25 -11.702 -2.422 9.939 192 2HG GLU 25 1HG GLU 25 -11.249 -4.124 10.008 193 H LEU 26 H LEU 26 -7.805 -2.236 6.807 194 HA LEU 26 HA LEU 26 -8.214 -4.098 4.726 195 1HB LEU 26 2HB LEU 26 -6.447 -1.662 4.894 196 2HB LEU 26 1HB LEU 26 -6.658 -2.600 3.428 197 HG LEU 26 HG LEU 26 -8.885 -1.205 4.905 198 1HD1 LEU 26 1HD1 LEU 26 -7.327 0.396 3.928 199 2HD1 LEU 26 2HD1 LEU 26 -8.858 0.390 3.055 200 3HD1 LEU 26 3HD1 LEU 26 -7.448 -0.420 2.371 201 1HD2 LEU 26 1HD2 LEU 26 -9.694 -3.122 3.705 202 2HD2 LEU 26 2HD2 LEU 26 -8.802 -2.649 2.262 203 3HD2 LEU 26 3HD2 LEU 26 -10.153 -1.664 2.825 204 H GLY 27 H GLY 27 -5.524 -3.425 6.839 205 1HA GLY 27 2HA GLY 27 -3.525 -4.877 5.509 206 2HA GLY 27 1HA GLY 27 -3.582 -4.571 7.240 207 H LYS 28 H LYS 28 -5.637 -5.915 8.193 208 HA LYS 28 HA LYS 28 -4.699 -8.576 8.170 209 1HB LYS 28 2HB LYS 28 -6.518 -9.088 9.673 210 2HB LYS 28 1HB LYS 28 -5.834 -7.530 10.110 211 1HG LYS 28 2HG LYS 28 -7.712 -6.474 8.807 212 2HG LYS 28 1HG LYS 28 -8.433 -8.082 8.710 213 1HD LYS 28 2HD LYS 28 -8.298 -8.178 11.219 214 2HD LYS 28 1HD LYS 28 -7.838 -6.474 11.186 215 1HE LYS 28 2HE LYS 28 -9.959 -6.067 9.867 216 2HE LYS 28 1HE LYS 28 -10.424 -7.714 10.279 217 1HZ LYS 28 1HZ LYS 28 -9.991 -5.432 12.111 218 2HZ LYS 28 2HZ LYS 28 -10.066 -7.033 12.658 219 3HZ LYS 28 3HZ LYS 28 -11.401 -6.345 11.886 220 H ARG 29 H ARG 29 -7.360 -6.980 6.502 221 HA ARG 29 HA ARG 29 -8.660 -9.243 5.493 222 1HB ARG 29 2HB ARG 29 -9.627 -7.028 5.259 223 2HB ARG 29 1HB ARG 29 -8.281 -6.510 4.253 224 1HG ARG 29 2HG ARG 29 -8.954 -8.118 2.532 225 2HG ARG 29 1HG ARG 29 -10.313 -8.614 3.542 226 1HD ARG 29 2HD ARG 29 -11.243 -6.384 3.435 227 2HD ARG 29 1HD ARG 29 -9.857 -5.825 2.499 228 HE ARG 29 HE ARG 29 -10.797 -7.826 0.973 229 1HH1 ARG 29 1HH1 ARG 29 -12.397 -5.118 2.500 230 2HH1 ARG 29 2HH1 ARG 29 -13.629 -4.994 1.285 231 1HH2 ARG 29 1HH2 ARG 29 -12.420 -7.671 -0.628 232 2HH2 ARG 29 2HH2 ARG 29 -13.645 -6.449 -0.493 233 H ILE 30 H ILE 30 -6.123 -7.257 3.997 234 HA ILE 30 HA ILE 30 -5.763 -8.878 1.730 235 HB ILE 30 HB ILE 30 -3.814 -6.985 3.061 236 1HG1 ILE 30 2HG1 ILE 30 -5.643 -6.567 0.685 237 2HG1 ILE 30 1HG1 ILE 30 -5.987 -5.999 2.316 238 1HG2 ILE 30 1HG2 ILE 30 -3.772 -8.188 0.294 239 2HG2 ILE 30 2HG2 ILE 30 -2.629 -8.514 1.598 240 3HG2 ILE 30 3HG2 ILE 30 -2.700 -6.911 0.865 241 1HD1 ILE 30 1HD1 ILE 30 -5.123 -4.210 0.939 242 2HD1 ILE 30 2HD1 ILE 30 -3.672 -5.153 0.591 243 3HD1 ILE 30 3HD1 ILE 30 -3.989 -4.595 2.234 244 H TYR 31 H TYR 31 -4.268 -8.931 4.925 245 HA TYR 31 HA TYR 31 -2.192 -10.735 4.361 246 1HB TYR 31 2HB TYR 31 -3.667 -10.121 6.922 247 2HB TYR 31 1HB TYR 31 -2.303 -11.230 6.855 248 HD1 TYR 31 1HD TYR 31 -1.937 -9.156 8.678 249 HD2 TYR 31 2HD TYR 31 -1.453 -8.963 4.456 250 HE1 TYR 31 1HE TYR 31 -0.381 -7.269 8.946 251 HE2 TYR 31 2HE TYR 31 0.102 -7.085 4.712 252 HH TYR 31 HH TYR 31 0.684 -5.378 6.274 253 H ASN 32 H ASN 32 -5.583 -11.275 4.873 254 HA ASN 32 HA ASN 32 -5.211 -14.124 5.295 255 1HB ASN 32 2HB ASN 32 -7.592 -12.311 5.272 256 2HB ASN 32 1HB ASN 32 -7.815 -14.051 5.121 257 1HD2 ASN 32 1HD2 ASN 32 -6.761 -11.458 7.185 258 2HD2 ASN 32 2HD2 ASN 32 -6.768 -12.371 8.656 259 H GLU 33 H GLU 33 -5.257 -12.159 2.598 260 HA GLU 33 HA GLU 33 -5.953 -14.488 0.949 261 1HB GLU 33 2HB GLU 33 -6.947 -12.902 -0.740 262 2HB GLU 33 1HB GLU 33 -7.881 -13.125 0.728 263 1HG GLU 33 2HG GLU 33 -6.842 -10.993 1.575 264 2HG GLU 33 1HG GLU 33 -6.199 -10.766 -0.052 265 H ILE 34 H ILE 34 -3.492 -12.862 1.903 266 HA ILE 34 HA ILE 34 -2.155 -13.019 -0.692 267 HB ILE 34 HB ILE 34 -2.083 -10.713 1.225 268 1HG1 ILE 34 2HG1 ILE 34 -3.611 -10.620 -0.688 269 2HG1 ILE 34 1HG1 ILE 34 -2.339 -9.411 -0.833 270 1HG2 ILE 34 1HG2 ILE 34 -0.088 -9.840 0.145 271 2HG2 ILE 34 2HG2 ILE 34 0.046 -11.306 -0.822 272 3HG2 ILE 34 3HG2 ILE 34 0.251 -11.384 0.927 273 1HD1 ILE 34 1HD1 ILE 34 -2.555 -12.018 -2.314 274 2HD1 ILE 34 2HD1 ILE 34 -1.136 -10.974 -2.359 275 3HD1 ILE 34 3HD1 ILE 34 -2.682 -10.389 -2.974 276 H SER 35 H SER 35 -0.258 -13.994 -0.683 277 HA SER 35 HA SER 35 0.432 -15.561 1.587 278 1HB SER 35 2HB SER 35 0.640 -16.585 -0.550 279 2HB SER 35 1HB SER 35 1.595 -15.245 -1.178 280 HG SER 35 HG SER 35 2.358 -17.377 0.451 281 H LYS 36 H LYS 36 2.462 -15.664 2.613 282 HA LYS 36 HA LYS 36 3.807 -13.399 3.435 283 1HB LYS 36 2HB LYS 36 4.879 -16.200 3.010 284 2HB LYS 36 1HB LYS 36 5.751 -14.938 3.866 285 1HG LYS 36 2HG LYS 36 3.033 -15.884 4.716 286 2HG LYS 36 1HG LYS 36 4.527 -16.637 5.274 287 1HD LYS 36 2HD LYS 36 5.265 -14.385 6.081 288 2HD LYS 36 1HD LYS 36 3.655 -13.780 5.688 289 1HE LYS 36 2HE LYS 36 3.658 -14.305 8.009 290 2HE LYS 36 1HE LYS 36 2.720 -15.555 7.192 291 1HZ LYS 36 1HZ LYS 36 4.768 -16.947 7.226 292 2HZ LYS 36 2HZ LYS 36 4.143 -16.604 8.758 293 3HZ LYS 36 3HZ LYS 36 5.506 -15.775 8.198 294 H ASP 37 H ASP 37 4.397 -15.483 0.653 295 HA ASP 37 HA ASP 37 6.737 -14.216 -0.293 296 1HB ASP 37 2HB ASP 37 4.648 -15.936 -1.628 297 2HB ASP 37 1HB ASP 37 6.025 -15.289 -2.509 298 H ALA 38 H ALA 38 3.369 -13.981 -1.368 299 HA ALA 38 HA ALA 38 3.745 -12.125 -3.401 300 1HB ALA 38 1HB ALA 38 1.725 -13.440 -3.182 301 2HB ALA 38 2HB ALA 38 1.330 -11.721 -3.236 302 3HB ALA 38 3HB ALA 38 1.304 -12.585 -1.699 303 H TRP 39 H TRP 39 2.921 -11.564 0.009 304 HA TRP 39 HA TRP 39 2.575 -8.776 -0.215 305 1HB TRP 39 2HB TRP 39 1.745 -10.085 1.698 306 2HB TRP 39 1HB TRP 39 3.400 -10.403 2.202 307 HD1 TRP 39 HD TRP 39 4.512 -8.652 3.752 308 HE1 TRP 39 1HE TRP 39 3.820 -6.356 4.686 309 HE3 TRP 39 3HE TRP 39 0.277 -7.898 0.991 310 HZ2 TRP 39 2HZ TRP 39 1.762 -4.472 4.299 311 HZ3 TRP 39 3HZ TRP 39 -0.996 -5.818 1.335 312 HH2 TRP 39 HH TRP 39 -0.270 -4.144 2.956 313 H ALA 40 H ALA 40 5.387 -10.760 0.605 314 HA ALA 40 HA ALA 40 7.119 -8.591 1.177 315 1HB ALA 40 1HB ALA 40 8.917 -10.236 1.031 316 2HB ALA 40 2HB ALA 40 7.796 -11.403 0.330 317 3HB ALA 40 3HB ALA 40 7.568 -10.845 1.987 318 H GLN 41 H GLN 41 6.452 -10.483 -1.723 319 HA GLN 41 HA GLN 41 8.434 -9.469 -3.396 320 1HB GLN 41 2HB GLN 41 5.663 -10.504 -3.974 321 2HB GLN 41 1HB GLN 41 6.769 -10.016 -5.251 322 1HG GLN 41 2HG GLN 41 8.320 -11.710 -4.682 323 2HG GLN 41 1HG GLN 41 7.466 -12.079 -3.184 324 1HE2 GLN 41 1HE2 GLN 41 8.190 -13.771 -5.482 325 2HE2 GLN 41 2HE2 GLN 41 6.706 -14.486 -6.009 326 H TRP 42 H TRP 42 5.140 -8.262 -2.796 327 HA TRP 42 HA TRP 42 5.276 -6.153 -4.644 328 1HB TRP 42 2HB TRP 42 3.122 -6.815 -3.772 329 2HB TRP 42 1HB TRP 42 3.610 -6.387 -2.132 330 HD1 TRP 42 HD TRP 42 2.261 -4.286 -1.497 331 HE1 TRP 42 1HE TRP 42 1.792 -2.009 -2.597 332 HE3 TRP 42 3HE TRP 42 4.448 -5.099 -6.059 333 HZ2 TRP 42 2HZ TRP 42 2.283 -0.727 -5.052 334 HZ3 TRP 42 3HZ TRP 42 4.406 -3.288 -7.720 335 HH2 TRP 42 HH TRP 42 3.346 -1.150 -7.226 336 H GLN 43 H GLN 43 5.921 -6.158 -1.132 337 HA GLN 43 HA GLN 43 6.582 -3.433 -0.957 338 1HB GLN 43 2HB GLN 43 7.640 -5.725 0.707 339 2HB GLN 43 1HB GLN 43 7.790 -4.023 1.117 340 1HG GLN 43 2HG GLN 43 5.259 -3.937 1.066 341 2HG GLN 43 1HG GLN 43 5.305 -5.699 1.015 342 1HE2 GLN 43 1HE2 GLN 43 5.873 -2.870 2.925 343 2HE2 GLN 43 2HE2 GLN 43 6.077 -3.678 4.439 344 H HIS 44 H HIS 44 8.550 -6.276 -1.628 345 HA HIS 44 HA HIS 44 11.078 -5.059 -1.705 346 1HB HIS 44 2HB HIS 44 10.436 -7.554 -1.752 347 2HB HIS 44 1HB HIS 44 10.225 -7.343 -3.485 348 HD1 HIS 44 1HD HIS 44 12.256 -9.331 -2.702 349 HD2 HIS 44 2HD HIS 44 13.187 -5.299 -3.074 350 HE1 HIS 44 1HE HIS 44 14.742 -9.242 -3.050 351 HE2 HIS 44 2HE HIS 44 15.300 -6.789 -3.062 352 H LYS 45 H LYS 45 8.722 -5.681 -4.275 353 HA LYS 45 HA LYS 45 10.151 -4.546 -6.402 354 1HB LYS 45 2HB LYS 45 8.179 -5.990 -6.689 355 2HB LYS 45 1HB LYS 45 7.161 -4.740 -5.995 356 1HG LYS 45 2HG LYS 45 6.928 -4.745 -8.389 357 2HG LYS 45 1HG LYS 45 7.730 -3.260 -7.876 358 1HD LYS 45 2HD LYS 45 8.797 -4.176 -9.864 359 2HD LYS 45 1HD LYS 45 9.899 -4.228 -8.488 360 1HE LYS 45 2HE LYS 45 9.423 -6.586 -8.163 361 2HE LYS 45 1HE LYS 45 8.241 -6.551 -9.470 362 1HZ LYS 45 1HZ LYS 45 10.005 -6.044 -11.019 363 2HZ LYS 45 2HZ LYS 45 10.369 -7.465 -10.180 364 3HZ LYS 45 3HZ LYS 45 11.148 -6.023 -9.771 365 H GLN 46 H GLN 46 7.623 -3.130 -4.324 366 HA GLN 46 HA GLN 46 7.618 -0.616 -5.583 367 1HB GLN 46 2HB GLN 46 5.785 -1.425 -4.160 368 2HB GLN 46 1HB GLN 46 6.825 -1.292 -2.748 369 1HG GLN 46 2HG GLN 46 5.307 0.595 -2.902 370 2HG GLN 46 1HG GLN 46 6.981 1.117 -3.071 371 1HE2 GLN 46 1HE2 GLN 46 3.939 0.685 -4.687 372 2HE2 GLN 46 2HE2 GLN 46 4.313 1.628 -6.092 373 H THR 47 H THR 47 9.489 -1.843 -2.832 374 HA THR 47 HA THR 47 10.653 0.551 -2.003 375 HB THR 47 HB THR 47 11.963 -2.177 -2.084 376 HG1 THR 47 1HG THR 47 9.950 -2.051 -0.902 377 1HG2 THR 47 1HG2 THR 47 12.599 0.254 -0.407 378 2HG2 THR 47 2HG2 THR 47 13.591 -0.382 -1.719 379 3HG2 THR 47 3HG2 THR 47 13.358 -1.330 -0.250 380 H MET 48 H MET 48 11.693 -1.710 -4.529 381 HA MET 48 HA MET 48 13.950 -0.266 -5.388 382 1HB MET 48 2HB MET 48 13.557 -2.598 -6.030 383 2HB MET 48 1HB MET 48 12.136 -2.122 -6.949 384 1HG MET 48 2HG MET 48 13.541 -0.837 -8.469 385 2HG MET 48 1HG MET 48 14.969 -1.290 -7.540 386 1HE MET 48 1HE MET 48 16.197 -2.223 -9.661 387 2HE MET 48 2HE MET 48 14.824 -1.722 -10.649 388 3HE MET 48 3HE MET 48 15.469 -3.357 -10.801 389 H LEU 49 H LEU 49 10.565 -0.219 -6.418 390 HA LEU 49 HA LEU 49 10.839 1.611 -8.523 391 1HB LEU 49 2HB LEU 49 8.593 0.601 -6.878 392 2HB LEU 49 1HB LEU 49 8.320 2.096 -7.747 393 HG LEU 49 HG LEU 49 8.767 1.002 -9.868 394 1HD1 LEU 49 1HD1 LEU 49 9.144 -1.410 -10.003 395 2HD1 LEU 49 2HD1 LEU 49 9.247 -1.489 -8.243 396 3HD1 LEU 49 3HD1 LEU 49 10.459 -0.593 -9.159 397 1HD2 LEU 49 1HD2 LEU 49 6.863 -0.523 -9.921 398 2HD2 LEU 49 2HD2 LEU 49 6.496 0.926 -8.984 399 3HD2 LEU 49 3HD2 LEU 49 6.862 -0.590 -8.158 400 H ILE 50 H ILE 50 10.273 2.152 -5.065 401 HA ILE 50 HA ILE 50 9.814 4.925 -5.213 402 HB ILE 50 HB ILE 50 11.053 3.334 -2.955 403 1HG1 ILE 50 2HG1 ILE 50 8.206 4.264 -3.393 404 2HG1 ILE 50 1HG1 ILE 50 8.778 2.611 -3.609 405 1HG2 ILE 50 1HG2 ILE 50 11.576 5.694 -2.722 406 2HG2 ILE 50 2HG2 ILE 50 10.383 5.211 -1.516 407 3HG2 ILE 50 3HG2 ILE 50 9.878 6.113 -2.946 408 1HD1 ILE 50 1HD1 ILE 50 7.616 2.914 -1.487 409 2HD1 ILE 50 2HD1 ILE 50 8.790 4.144 -1.019 410 3HD1 ILE 50 3HD1 ILE 50 9.306 2.473 -1.244 411 H ASN 51 H ASN 51 12.784 3.037 -5.056 412 HA ASN 51 HA ASN 51 14.487 5.335 -4.831 413 1HB ASN 51 2HB ASN 51 15.017 2.433 -5.428 414 2HB ASN 51 1HB ASN 51 16.297 3.639 -5.467 415 1HD2 ASN 51 1HD2 ASN 51 15.859 1.315 -3.728 416 2HD2 ASN 51 2HD2 ASN 51 15.890 1.933 -2.117 417 H GLU 52 H GLU 52 13.068 3.553 -7.436 418 HA GLU 52 HA GLU 52 14.837 4.657 -9.432 419 1HB GLU 52 2HB GLU 52 12.359 2.952 -9.621 420 2HB GLU 52 1HB GLU 52 13.254 3.512 -11.026 421 1HG GLU 52 2HG GLU 52 14.319 1.757 -8.823 422 2HG GLU 52 1HG GLU 52 13.884 1.245 -10.454 423 H LYS 53 H LYS 53 11.405 5.014 -8.581 424 HA LYS 53 HA LYS 53 10.958 7.134 -10.453 425 1HB LYS 53 2HB LYS 53 9.360 6.400 -7.988 426 2HB LYS 53 1HB LYS 53 8.811 7.414 -9.310 427 1HG LYS 53 2HG LYS 53 8.846 5.514 -10.820 428 2HG LYS 53 1HG LYS 53 9.487 4.485 -9.537 429 1HD LYS 53 2HD LYS 53 7.454 4.891 -8.212 430 2HD LYS 53 1HD LYS 53 6.812 5.893 -9.511 431 1HE LYS 53 2HE LYS 53 6.884 3.934 -11.014 432 2HE LYS 53 1HE LYS 53 7.456 2.952 -9.666 433 1HZ LYS 53 1HZ LYS 53 5.395 3.418 -8.490 434 2HZ LYS 53 2HZ LYS 53 5.064 2.720 -9.993 435 3HZ LYS 53 3HZ LYS 53 4.853 4.380 -9.771 436 H LYS 54 H LYS 54 12.093 6.845 -7.208 437 HA LYS 54 HA LYS 54 12.573 8.263 -5.532 438 1HB LYS 54 2HB LYS 54 13.441 9.899 -7.907 439 2HB LYS 54 1HB LYS 54 13.744 10.395 -6.243 440 1HG LYS 54 2HG LYS 54 14.914 8.249 -5.865 441 2HG LYS 54 1HG LYS 54 14.698 7.870 -7.572 442 1HD LYS 54 2HD LYS 54 16.054 9.753 -8.211 443 2HD LYS 54 1HD LYS 54 16.164 10.288 -6.529 444 1HE LYS 54 2HE LYS 54 17.344 8.236 -5.946 445 2HE LYS 54 1HE LYS 54 17.207 7.669 -7.608 446 1HZ LYS 54 1HZ LYS 54 19.385 8.614 -7.118 447 2HZ LYS 54 2HZ LYS 54 18.671 10.107 -6.755 448 3HZ LYS 54 3HZ LYS 54 18.588 9.486 -8.328 449 H LEU 55 H LEU 55 10.418 8.355 -4.920 450 HA LEU 55 HA LEU 55 9.173 10.978 -5.330 451 1HB LEU 55 2HB LEU 55 6.962 9.760 -5.106 452 2HB LEU 55 1HB LEU 55 7.833 9.536 -6.609 453 HG LEU 55 HG LEU 55 8.705 7.349 -5.572 454 1HD1 LEU 55 1HD1 LEU 55 8.052 7.781 -3.271 455 2HD1 LEU 55 2HD1 LEU 55 7.265 6.332 -3.893 456 3HD1 LEU 55 3HD1 LEU 55 6.357 7.837 -3.751 457 1HD2 LEU 55 1HD2 LEU 55 6.691 6.137 -6.257 458 2HD2 LEU 55 2HD2 LEU 55 7.113 7.417 -7.394 459 3HD2 LEU 55 3HD2 LEU 55 5.787 7.651 -6.256 460 H ASN 56 H ASN 56 7.865 11.732 -3.602 461 HA ASN 56 HA ASN 56 8.773 10.764 -0.994 462 1HB ASN 56 2HB ASN 56 7.236 13.292 -1.626 463 2HB ASN 56 1HB ASN 56 8.071 12.910 -0.126 464 1HD2 ASN 56 1HD2 ASN 56 10.297 13.129 -0.020 465 2HD2 ASN 56 2HD2 ASN 56 11.214 13.921 -1.255 466 H MET 57 H MET 57 7.461 9.451 0.124 467 HA MET 57 HA MET 57 4.735 9.036 -0.654 468 1HB MET 57 2HB MET 57 6.409 7.989 1.616 469 2HB MET 57 1HB MET 57 4.699 7.605 1.465 470 1HG MET 57 2HG MET 57 6.830 6.992 -0.568 471 2HG MET 57 1HG MET 57 6.096 5.840 0.548 472 1HE MET 57 1HE MET 57 6.236 5.284 -2.537 473 2HE MET 57 2HE MET 57 4.600 4.739 -2.903 474 3HE MET 57 3HE MET 57 5.401 4.189 -1.432 475 H MET 58 H MET 58 6.207 11.360 1.212 476 HA MET 58 HA MET 58 4.300 11.818 3.231 477 1HB MET 58 2HB MET 58 6.092 13.806 1.818 478 2HB MET 58 1HB MET 58 5.223 14.108 3.312 479 1HG MET 58 2HG MET 58 7.460 13.659 3.893 480 2HG MET 58 1HG MET 58 6.520 12.239 4.345 481 1HE MET 58 1HE MET 58 9.946 10.673 3.316 482 2HE MET 58 2HE MET 58 8.713 10.787 4.572 483 3HE MET 58 3HE MET 58 9.683 12.200 4.156 484 H ASN 59 H ASN 59 4.426 12.658 -0.148 485 HA ASN 59 HA ASN 59 2.215 14.508 -0.011 486 1HB ASN 59 2HB ASN 59 3.581 13.264 -2.412 487 2HB ASN 59 1HB ASN 59 2.431 14.593 -2.464 488 1HD2 ASN 59 1HD2 ASN 59 3.076 16.633 -1.808 489 2HD2 ASN 59 2HD2 ASN 59 4.739 17.045 -1.572 490 H ALA 60 H ALA 60 0.114 14.100 -0.475 491 HA ALA 60 HA ALA 60 -0.932 11.520 -0.194 492 1HB ALA 60 1HB ALA 60 -3.076 12.510 -0.803 493 2HB ALA 60 2HB ALA 60 -2.251 13.942 -1.416 494 3HB ALA 60 3HB ALA 60 -2.191 13.560 0.305 495 H GLU 61 H GLU 61 -0.034 13.353 -3.034 496 HA GLU 61 HA GLU 61 -1.123 12.018 -5.145 497 1HB GLU 61 2HB GLU 61 1.759 12.885 -4.827 498 2HB GLU 61 1HB GLU 61 1.016 12.447 -6.356 499 1HG GLU 61 2HG GLU 61 -0.424 14.327 -6.284 500 2HG GLU 61 1HG GLU 61 0.038 14.698 -4.625 501 H HIS 62 H HIS 62 1.836 11.078 -3.435 502 HA HIS 62 HA HIS 62 2.073 8.696 -5.062 503 1HB HIS 62 2HB HIS 62 3.861 9.681 -2.832 504 2HB HIS 62 1HB HIS 62 4.242 8.412 -3.992 505 HD1 HIS 62 1HD HIS 62 5.204 11.666 -3.389 506 HD2 HIS 62 2HD HIS 62 3.768 9.772 -6.801 507 HE1 HIS 62 1HE HIS 62 5.933 13.103 -5.326 508 HE2 HIS 62 2HE HIS 62 4.961 11.994 -7.367 509 H ARG 63 H ARG 63 0.889 9.591 -1.970 510 HA ARG 63 HA ARG 63 1.159 7.110 -0.644 511 1HB ARG 63 2HB ARG 63 0.649 9.141 0.596 512 2HB ARG 63 1HB ARG 63 -0.871 9.319 -0.269 513 1HG ARG 63 2HG ARG 63 -1.229 8.452 1.973 514 2HG ARG 63 1HG ARG 63 -1.711 7.275 0.751 515 1HD ARG 63 2HD ARG 63 -0.503 6.193 2.567 516 2HD ARG 63 1HD ARG 63 0.403 6.087 1.059 517 HE ARG 63 HE ARG 63 1.218 8.359 2.528 518 1HH1 ARG 63 1HH1 ARG 63 1.467 4.871 2.531 519 2HH1 ARG 63 2HH1 ARG 63 2.986 4.853 3.364 520 1HH2 ARG 63 1HH2 ARG 63 3.214 8.350 3.623 521 2HH2 ARG 63 2HH2 ARG 63 3.983 6.842 3.998 522 H LYS 64 H LYS 64 -1.569 8.535 -2.461 523 HA LYS 64 HA LYS 64 -3.067 6.101 -2.288 524 1HB LYS 64 2HB LYS 64 -4.734 7.147 -3.597 525 2HB LYS 64 1HB LYS 64 -4.078 8.408 -2.565 526 1HG LYS 64 2HG LYS 64 -2.951 9.434 -4.329 527 2HG LYS 64 1HG LYS 64 -3.084 8.005 -5.361 528 1HD LYS 64 2HD LYS 64 -5.581 8.341 -5.304 529 2HD LYS 64 1HD LYS 64 -5.275 9.897 -4.532 530 1HE LYS 64 2HE LYS 64 -4.003 10.638 -6.443 531 2HE LYS 64 1HE LYS 64 -4.164 9.053 -7.201 532 1HZ LYS 64 1HZ LYS 64 -5.746 10.575 -8.144 533 2HZ LYS 64 2HZ LYS 64 -6.360 10.958 -6.616 534 3HZ LYS 64 3HZ LYS 64 -6.578 9.406 -7.243 535 H LEU 65 H LEU 65 -0.755 7.464 -4.509 536 HA LEU 65 HA LEU 65 -1.174 5.801 -6.719 537 1HB LEU 65 2HB LEU 65 0.366 7.716 -6.732 538 2HB LEU 65 1HB LEU 65 1.428 6.874 -5.621 539 HG LEU 65 HG LEU 65 1.819 5.142 -7.356 540 1HD1 LEU 65 1HD1 LEU 65 1.167 5.643 -9.672 541 2HD1 LEU 65 2HD1 LEU 65 0.215 7.010 -9.093 542 3HD1 LEU 65 3HD1 LEU 65 -0.227 5.367 -8.629 543 1HD2 LEU 65 1HD2 LEU 65 2.432 7.964 -8.218 544 2HD2 LEU 65 2HD2 LEU 65 3.281 6.508 -8.734 545 3HD2 LEU 65 3HD2 LEU 65 3.359 7.023 -7.049 546 H LEU 66 H LEU 66 0.865 5.355 -3.850 547 HA LEU 66 HA LEU 66 1.811 2.795 -4.327 548 1HB LEU 66 2HB LEU 66 2.622 4.083 -2.467 549 2HB LEU 66 1HB LEU 66 1.024 4.156 -1.749 550 HG LEU 66 HG LEU 66 1.126 1.697 -1.383 551 1HD1 LEU 66 1HD1 LEU 66 3.974 2.025 -2.301 552 2HD1 LEU 66 2HD1 LEU 66 2.707 1.116 -3.125 553 3HD1 LEU 66 3HD1 LEU 66 3.296 0.579 -1.551 554 1HD2 LEU 66 1HD2 LEU 66 3.373 3.292 -0.156 555 2HD2 LEU 66 2HD2 LEU 66 2.689 1.800 0.492 556 3HD2 LEU 66 3HD2 LEU 66 1.700 3.258 0.400 557 H GLU 67 H GLU 67 -1.215 3.812 -2.780 558 HA GLU 67 HA GLU 67 -2.241 1.278 -2.202 559 1HB GLU 67 2HB GLU 67 -3.205 3.342 -1.307 560 2HB GLU 67 1HB GLU 67 -3.732 3.809 -2.918 561 1HG GLU 67 2HG GLU 67 -5.212 1.860 -2.992 562 2HG GLU 67 1HG GLU 67 -4.696 1.414 -1.368 563 H GLN 68 H GLN 68 -2.752 3.324 -5.069 564 HA GLN 68 HA GLN 68 -4.496 1.600 -6.412 565 1HB GLN 68 2HB GLN 68 -2.533 3.571 -7.591 566 2HB GLN 68 1HB GLN 68 -3.880 2.838 -8.448 567 1HG GLN 68 2HG GLN 68 -5.429 3.898 -6.838 568 2HG GLN 68 1HG GLN 68 -4.049 4.704 -6.097 569 1HE2 GLN 68 1HE2 GLN 68 -4.418 4.147 -9.527 570 2HE2 GLN 68 2HE2 GLN 68 -4.633 5.800 -9.976 571 H GLU 69 H GLU 69 -0.943 1.833 -6.594 572 HA GLU 69 HA GLU 69 -0.665 -0.205 -8.541 573 1HB GLU 69 2HB GLU 69 1.350 0.667 -6.457 574 2HB GLU 69 1HB GLU 69 1.697 -0.290 -7.888 575 1HG GLU 69 2HG GLU 69 0.836 1.673 -9.235 576 2HG GLU 69 1HG GLU 69 0.898 2.594 -7.732 577 H MET 70 H MET 70 -0.723 -0.222 -5.020 578 HA MET 70 HA MET 70 0.020 -2.903 -4.608 579 1HB MET 70 2HB MET 70 -0.030 -1.238 -2.806 580 2HB MET 70 1HB MET 70 -1.780 -1.135 -2.938 581 1HG MET 70 2HG MET 70 -1.942 -3.501 -2.281 582 2HG MET 70 1HG MET 70 -0.191 -3.544 -2.080 583 1HE MET 70 1HE MET 70 1.119 -2.103 -0.269 584 2HE MET 70 2HE MET 70 0.337 -1.046 0.905 585 3HE MET 70 3HE MET 70 0.340 -0.614 -0.804 586 H VAL 71 H VAL 71 -3.177 -1.391 -4.879 587 HA VAL 71 HA VAL 71 -4.659 -3.781 -4.585 588 HB VAL 71 HB VAL 71 -5.478 -1.210 -5.962 589 1HG1 VAL 71 1HG1 VAL 71 -6.946 -3.094 -6.529 590 2HG1 VAL 71 2HG1 VAL 71 -7.769 -1.906 -5.519 591 3HG1 VAL 71 3HG1 VAL 71 -7.190 -3.415 -4.812 592 1HG2 VAL 71 1HG2 VAL 71 -5.873 -2.109 -3.110 593 2HG2 VAL 71 2HG2 VAL 71 -6.508 -0.626 -3.823 594 3HG2 VAL 71 3HG2 VAL 71 -4.765 -0.849 -3.655 595 H SER 72 H SER 72 -3.003 -2.362 -7.281 596 HA SER 72 HA SER 72 -4.391 -3.917 -9.266 597 1HB SER 72 2HB SER 72 -3.277 -1.681 -9.695 598 2HB SER 72 1HB SER 72 -1.728 -2.514 -9.581 599 HG SER 72 HG SER 72 -2.109 -3.522 -11.441 600 H PHE 73 H PHE 73 -1.500 -4.238 -7.330 601 HA PHE 73 HA PHE 73 -0.486 -6.428 -8.929 602 1HB PHE 73 2HB PHE 73 0.997 -4.704 -7.909 603 2HB PHE 73 1HB PHE 73 0.550 -5.306 -6.319 604 HD1 PHE 73 1HD PHE 73 1.632 -7.176 -5.381 605 HD2 PHE 73 2HD PHE 73 2.255 -6.191 -9.472 606 HE1 PHE 73 1HE PHE 73 3.494 -8.776 -5.477 607 HE2 PHE 73 2HE PHE 73 4.118 -7.796 -9.576 608 HZ PHE 73 HZ PHE 73 4.738 -9.090 -7.577 609 H LEU 74 H LEU 74 -1.669 -5.992 -5.596 610 HA LEU 74 HA LEU 74 -1.448 -8.866 -5.154 611 1HB LEU 74 2HB LEU 74 -2.119 -6.589 -3.292 612 2HB LEU 74 1HB LEU 74 -2.008 -8.269 -2.800 613 HG LEU 74 HG LEU 74 0.274 -6.656 -3.947 614 1HD1 LEU 74 1HD1 LEU 74 -0.325 -7.473 -1.108 615 2HD1 LEU 74 2HD1 LEU 74 -0.361 -5.832 -1.756 616 3HD1 LEU 74 3HD1 LEU 74 1.165 -6.712 -1.662 617 1HD2 LEU 74 1HD2 LEU 74 0.169 -9.421 -2.742 618 2HD2 LEU 74 2HD2 LEU 74 1.644 -8.555 -3.168 619 3HD2 LEU 74 3HD2 LEU 74 0.502 -9.020 -4.427 620 H PHE 75 H PHE 75 -3.910 -6.386 -5.421 621 HA PHE 75 HA PHE 75 -5.974 -8.189 -4.438 622 1HB PHE 75 2HB PHE 75 -5.730 -5.697 -3.831 623 2HB PHE 75 1HB PHE 75 -6.390 -5.373 -5.429 624 HD1 PHE 75 1HD PHE 75 -7.087 -6.651 -2.082 625 HD2 PHE 75 2HD PHE 75 -8.715 -5.812 -5.921 626 HE1 PHE 75 1HE PHE 75 -9.356 -6.835 -1.154 627 HE2 PHE 75 2HE PHE 75 -10.989 -5.999 -5.002 628 HZ PHE 75 HZ PHE 75 -11.313 -6.509 -2.613 629 H GLU 76 H GLU 76 -5.122 -6.429 -7.383 630 HA GLU 76 HA GLU 76 -5.689 -6.655 -9.557 631 1HB GLU 76 2HB GLU 76 -6.324 -9.408 -8.553 632 2HB GLU 76 1HB GLU 76 -6.687 -8.959 -10.214 633 1HG GLU 76 2HG GLU 76 -3.960 -8.674 -8.980 634 2HG GLU 76 1HG GLU 76 -4.489 -10.110 -9.857 635 H GLY 77 H GLY 77 -7.624 -5.714 -7.501 636 1HA GLY 77 2HA GLY 77 -9.980 -5.791 -9.268 637 2HA GLY 77 1HA GLY 77 -10.167 -6.004 -7.532 638 H LYS 78 H LYS 78 -8.688 -3.771 -9.861 639 HA LYS 78 HA LYS 78 -9.450 -1.571 -8.069 640 1HB LYS 78 2HB LYS 78 -7.375 -0.493 -9.438 641 2HB LYS 78 1HB LYS 78 -7.229 -1.260 -7.867 642 1HG LYS 78 2HG LYS 78 -5.499 -2.138 -9.184 643 2HG LYS 78 1HG LYS 78 -6.722 -3.400 -9.084 644 1HD LYS 78 2HD LYS 78 -5.979 -3.362 -11.327 645 2HD LYS 78 1HD LYS 78 -7.569 -2.597 -11.318 646 1HE LYS 78 2HE LYS 78 -6.552 -0.405 -11.392 647 2HE LYS 78 1HE LYS 78 -4.945 -1.118 -11.266 648 1HZ LYS 78 1HZ LYS 78 -5.454 -0.531 -13.538 649 2HZ LYS 78 2HZ LYS 78 -6.837 -1.496 -13.519 650 3HZ LYS 78 3HZ LYS 78 -5.308 -2.208 -13.398 651 H ASP 79 H ASP 79 -10.685 -0.060 -8.862 652 HA ASP 79 HA ASP 79 -11.221 -0.024 -11.743 653 1HB ASP 79 2HB ASP 79 -12.758 1.300 -9.494 654 2HB ASP 79 1HB ASP 79 -13.255 1.209 -11.179 655 H VAL 80 H VAL 80 -9.728 1.715 -9.220 656 HA VAL 80 HA VAL 80 -9.946 4.351 -10.199 657 HB VAL 80 HB VAL 80 -7.672 3.264 -8.538 658 1HG1 VAL 80 1HG1 VAL 80 -8.883 6.018 -8.724 659 2HG1 VAL 80 2HG1 VAL 80 -7.332 5.516 -9.395 660 3HG1 VAL 80 3HG1 VAL 80 -7.570 5.541 -7.648 661 1HG2 VAL 80 1HG2 VAL 80 -9.783 2.589 -7.524 662 2HG2 VAL 80 2HG2 VAL 80 -10.360 4.254 -7.593 663 3HG2 VAL 80 3HG2 VAL 80 -8.992 3.836 -6.559 664 H HIS 81 H HIS 81 -8.880 5.386 -11.759 665 HA HIS 81 HA HIS 81 -7.224 3.923 -13.554 666 1HB HIS 81 2HB HIS 81 -7.855 6.882 -13.426 667 2HB HIS 81 1HB HIS 81 -7.011 6.094 -14.756 668 HD1 HIS 81 1HD HIS 81 -9.888 7.589 -14.855 669 HD2 HIS 81 2HD HIS 81 -9.167 3.486 -14.851 670 HE1 HIS 81 1HE HIS 81 -11.916 6.538 -15.893 671 HE2 HIS 81 2HE HIS 81 -11.531 4.057 -15.714 672 H ILE 82 H ILE 82 -5.149 3.514 -13.330 673 HA ILE 82 HA ILE 82 -3.598 4.932 -11.336 674 HB ILE 82 HB ILE 82 -2.714 2.656 -13.123 675 1HG1 ILE 82 2HG1 ILE 82 -3.892 2.643 -10.337 676 2HG1 ILE 82 1HG1 ILE 82 -4.601 1.936 -11.780 677 1HG2 ILE 82 1HG2 ILE 82 -0.865 3.937 -12.172 678 2HG2 ILE 82 2HG2 ILE 82 -0.962 2.337 -11.435 679 3HG2 ILE 82 3HG2 ILE 82 -1.551 3.748 -10.558 680 1HD1 ILE 82 1HD1 ILE 82 -2.811 0.293 -11.870 681 2HD1 ILE 82 2HD1 ILE 82 -3.635 0.249 -10.311 682 3HD1 ILE 82 3HD1 ILE 82 -2.058 1.022 -10.451 683 H GLU 83 H GLU 83 -2.630 6.759 -11.855 684 HA GLU 83 HA GLU 83 -0.806 6.925 -14.034 685 1HB GLU 83 2HB GLU 83 -3.076 7.270 -15.128 686 2HB GLU 83 1HB GLU 83 -3.200 8.761 -14.203 687 1HG GLU 83 2HG GLU 83 -1.360 9.725 -15.333 688 2HG GLU 83 1HG GLU 83 -0.907 8.180 -16.052 689 H GLY 84 H GLY 84 -2.885 8.928 -11.963 690 1HA GLY 84 2HA GLY 84 -1.361 9.726 -9.986 691 2HA GLY 84 1HA GLY 84 -0.588 10.610 -11.296 692 H TYR 85 H TYR 85 -2.029 11.584 -8.920 693 HA TYR 85 HA TYR 85 -3.481 13.223 -8.327 694 1HB TYR 85 2HB TYR 85 -3.372 13.916 -11.276 695 2HB TYR 85 1HB TYR 85 -3.934 14.978 -9.988 696 HD1 TYR 85 1HD TYR 85 -2.328 15.867 -8.333 697 HD2 TYR 85 2HD TYR 85 -1.042 13.615 -11.703 698 HE1 TYR 85 1HE TYR 85 -0.030 16.660 -7.981 699 HE2 TYR 85 2HE TYR 85 1.261 14.402 -11.361 700 HH TYR 85 HH TYR 85 2.310 15.784 -8.533 701 H THR 86 H THR 86 -5.667 14.364 -9.727 702 HA THR 86 HA THR 86 -7.544 12.170 -9.709 703 HB THR 86 HB THR 86 -8.023 15.082 -10.389 704 HG1 THR 86 1HG THR 86 -7.481 15.134 -8.282 705 1HG2 THR 86 1HG2 THR 86 -9.787 13.624 -11.219 706 2HG2 THR 86 2HG2 THR 86 -10.367 14.546 -9.834 707 3HG2 THR 86 3HG2 THR 86 -9.921 12.854 -9.638 708 HA PRO 87 HA PRO 87 -6.399 10.987 -13.755 709 1HB PRO 87 2HB PRO 87 -8.832 9.741 -14.388 710 2HB PRO 87 1HB PRO 87 -7.417 8.986 -13.650 711 1HG PRO 87 2HG PRO 87 -9.891 10.042 -12.371 712 2HG PRO 87 1HG PRO 87 -8.900 8.642 -11.920 713 1HD PRO 87 2HD PRO 87 -8.796 10.916 -10.528 714 2HD PRO 87 1HD PRO 87 -7.328 9.959 -10.824 715 H GLU 88 H GLU 88 -9.913 11.664 -13.978 716 HA GLU 88 HA GLU 88 -9.242 13.390 -16.259 717 1HB GLU 88 2HB GLU 88 -11.631 12.820 -17.027 718 2HB GLU 88 1HB GLU 88 -10.369 11.618 -17.231 719 1HG GLU 88 2HG GLU 88 -11.786 11.391 -14.692 720 2HG GLU 88 1HG GLU 88 -12.821 11.188 -16.105 721 H ASP 89 H ASP 89 -12.202 12.975 -14.306 722 HA ASP 89 HA ASP 89 -12.474 15.891 -14.375 723 1HB ASP 89 2HB ASP 89 -14.335 14.698 -15.366 724 2HB ASP 89 1HB ASP 89 -14.516 13.707 -13.922 725 H LYS 90 H LYS 90 -12.269 17.056 -12.593 726 HA LYS 90 HA LYS 90 -11.826 15.713 -10.066 727 1HB LYS 90 2HB LYS 90 -11.619 18.612 -10.882 728 2HB LYS 90 1HB LYS 90 -11.351 18.053 -9.238 729 1HG LYS 90 2HG LYS 90 -9.536 16.581 -10.115 730 2HG LYS 90 1HG LYS 90 -9.743 17.365 -11.682 731 1HD LYS 90 2HD LYS 90 -9.181 19.512 -10.730 732 2HD LYS 90 1HD LYS 90 -9.109 18.812 -9.113 733 1HE LYS 90 2HE LYS 90 -6.871 19.058 -9.877 734 2HE LYS 90 1HE LYS 90 -7.251 17.341 -9.932 735 1HZ LYS 90 1HZ LYS 90 -6.070 18.068 -11.910 736 2HZ LYS 90 2HZ LYS 90 -7.292 19.184 -12.261 737 3HZ LYS 90 3HZ LYS 90 -7.622 17.526 -12.302 738 H LYS 91 H LYS 91 -13.438 15.244 -8.784 739 HA LYS 91 HA LYS 91 -15.818 16.946 -8.751 740 1HB LYS 91 2HB LYS 91 -15.326 14.220 -7.531 741 2HB LYS 91 1HB LYS 91 -16.829 15.121 -7.394 742 1HG LYS 91 2HG LYS 91 -16.995 15.062 -9.885 743 2HG LYS 91 1HG LYS 91 -15.604 13.976 -9.890 744 1HD LYS 91 2HD LYS 91 -18.229 13.475 -8.491 745 2HD LYS 91 1HD LYS 91 -17.723 12.749 -10.017 746 1HE LYS 91 2HE LYS 91 -15.923 11.591 -8.938 747 2HE LYS 91 1HE LYS 91 -16.218 12.447 -7.426 748 1HZ LYS 91 1HZ LYS 91 -18.076 10.526 -8.718 749 2HZ LYS 91 2HZ LYS 91 -18.370 11.360 -7.273 750 3HZ LYS 91 3HZ LYS 91 -17.122 10.223 -7.354 Start of MODEL 15 1 1H MET 1 1HT MET 1 2.551 -23.708 11.268 2 2H MET 1 2HT MET 1 2.412 -25.388 11.195 3 3H MET 1 3HT MET 1 1.021 -24.429 11.272 4 HA MET 1 HA MET 1 2.970 -24.495 9.041 5 1HB MET 1 2HB MET 1 1.391 -26.487 9.404 6 2HB MET 1 1HB MET 1 0.086 -25.384 9.002 7 1HG MET 1 2HG MET 1 0.677 -26.645 7.059 8 2HG MET 1 1HG MET 1 1.155 -24.967 6.819 9 1HE MET 1 1HE MET 1 3.898 -27.002 4.872 10 2HE MET 1 2HE MET 1 2.642 -25.770 4.753 11 3HE MET 1 3HE MET 1 2.202 -27.452 5.048 12 H SER 2 H SER 2 1.326 -22.421 10.831 13 HA SER 2 HA SER 2 0.463 -20.350 10.559 14 1HB SER 2 2HB SER 2 1.209 -20.588 7.634 15 2HB SER 2 1HB SER 2 0.960 -19.106 8.557 16 HG SER 2 HG SER 2 3.182 -20.682 8.350 17 H ARG 3 H ARG 3 -1.227 -19.132 8.900 18 HA ARG 3 HA ARG 3 -3.461 -20.965 8.800 19 1HB ARG 3 2HB ARG 3 -4.814 -18.988 8.224 20 2HB ARG 3 1HB ARG 3 -3.877 -18.750 9.689 21 1HG ARG 3 2HG ARG 3 -2.214 -17.481 8.355 22 2HG ARG 3 1HG ARG 3 -3.285 -17.634 6.959 23 1HD ARG 3 2HD ARG 3 -3.624 -15.488 8.027 24 2HD ARG 3 1HD ARG 3 -5.061 -16.492 8.227 25 HE ARG 3 HE ARG 3 -3.134 -16.548 10.399 26 1HH1 ARG 3 1HH1 ARG 3 -6.141 -15.239 9.149 27 2HH1 ARG 3 2HH1 ARG 3 -6.686 -14.694 10.704 28 1HH2 ARG 3 1HH2 ARG 3 -3.871 -15.848 12.443 29 2HH2 ARG 3 2HH2 ARG 3 -5.405 -15.040 12.568 30 H THR 4 H THR 4 -4.145 -22.004 7.085 31 HA THR 4 HA THR 4 -2.843 -21.559 4.538 32 HB THR 4 HB THR 4 -4.295 -23.576 3.860 33 HG1 THR 4 1HG THR 4 -5.676 -24.189 5.327 34 1HG2 THR 4 1HG2 THR 4 -2.761 -25.154 4.937 35 2HG2 THR 4 2HG2 THR 4 -2.238 -23.890 6.050 36 3HG2 THR 4 3HG2 THR 4 -1.901 -23.742 4.325 37 H ILE 5 H ILE 5 -3.620 -19.946 3.375 38 HA ILE 5 HA ILE 5 -6.536 -19.591 3.224 39 HB ILE 5 HB ILE 5 -6.023 -17.165 2.759 40 1HG1 ILE 5 2HG1 ILE 5 -3.774 -16.472 3.905 41 2HG1 ILE 5 1HG1 ILE 5 -3.274 -18.116 3.528 42 1HG2 ILE 5 1HG2 ILE 5 -5.279 -18.277 5.460 43 2HG2 ILE 5 2HG2 ILE 5 -6.905 -17.905 4.889 44 3HG2 ILE 5 3HG2 ILE 5 -5.737 -16.606 5.134 45 1HD1 ILE 5 1HD1 ILE 5 -2.513 -16.552 1.839 46 2HD1 ILE 5 2HD1 ILE 5 -4.174 -16.042 1.539 47 3HD1 ILE 5 3HD1 ILE 5 -3.675 -17.690 1.158 48 H PHE 6 H PHE 6 -7.231 -18.398 1.221 49 HA PHE 6 HA PHE 6 -5.898 -19.603 -1.076 50 1HB PHE 6 2HB PHE 6 -8.560 -18.175 -0.848 51 2HB PHE 6 1HB PHE 6 -7.928 -18.893 -2.326 52 HD1 PHE 6 1HD PHE 6 -7.690 -21.337 -2.506 53 HD2 PHE 6 2HD PHE 6 -9.563 -19.505 0.847 54 HE1 PHE 6 1HE PHE 6 -8.711 -23.490 -1.904 55 HE2 PHE 6 2HE PHE 6 -10.582 -21.659 1.460 56 HZ PHE 6 HZ PHE 6 -10.156 -23.655 0.082 57 H CYS 7 H CYS 7 -4.202 -18.393 -1.675 58 HA CYS 7 HA CYS 7 -4.168 -15.550 -1.430 59 1HB CYS 7 2HB CYS 7 -2.107 -16.866 -1.249 60 2HB CYS 7 1HB CYS 7 -2.290 -17.394 -2.919 61 HG CYS 7 HG CYS 7 -2.128 -14.070 -2.297 62 H THR 8 H THR 8 -4.712 -14.027 -2.850 63 HA THR 8 HA THR 8 -6.299 -14.642 -5.094 64 HB THR 8 HB THR 8 -5.889 -12.121 -5.574 65 HG1 THR 8 1HG THR 8 -4.578 -11.124 -4.246 66 1HG2 THR 8 1HG2 THR 8 -7.118 -12.983 -2.950 67 2HG2 THR 8 2HG2 THR 8 -7.920 -13.032 -4.521 68 3HG2 THR 8 3HG2 THR 8 -7.456 -11.484 -3.815 69 H TYR 9 H TYR 9 -2.917 -13.628 -4.810 70 HA TYR 9 HA TYR 9 -2.593 -13.295 -7.631 71 1HB TYR 9 2HB TYR 9 -1.257 -12.040 -5.954 72 2HB TYR 9 1HB TYR 9 -0.460 -13.543 -5.500 73 HD1 TYR 9 1HD TYR 9 -1.110 -11.417 -8.499 74 HD2 TYR 9 2HD TYR 9 1.541 -14.110 -6.538 75 HE1 TYR 9 1HE TYR 9 0.553 -11.061 -10.272 76 HE2 TYR 9 2HE TYR 9 3.211 -13.760 -8.309 77 HH TYR 9 HH TYR 9 3.416 -13.005 -10.526 78 H LEU 10 H LEU 10 -1.901 -15.868 -5.328 79 HA LEU 10 HA LEU 10 -0.487 -17.435 -7.306 80 1HB LEU 10 2HB LEU 10 -1.333 -18.108 -4.494 81 2HB LEU 10 1HB LEU 10 -0.349 -19.137 -5.515 82 HG LEU 10 HG LEU 10 0.436 -16.395 -4.525 83 1HD1 LEU 10 1HD1 LEU 10 0.388 -18.068 -2.747 84 2HD1 LEU 10 2HD1 LEU 10 2.044 -17.605 -3.146 85 3HD1 LEU 10 3HD1 LEU 10 1.393 -19.139 -3.725 86 1HD2 LEU 10 1HD2 LEU 10 1.429 -16.848 -6.674 87 2HD2 LEU 10 2HD2 LEU 10 1.928 -18.453 -6.142 88 3HD2 LEU 10 3HD2 LEU 10 2.656 -17.019 -5.418 89 H GLN 11 H GLN 11 -3.676 -17.300 -5.900 90 HA GLN 11 HA GLN 11 -5.584 -18.473 -6.208 91 1HB GLN 11 2HB GLN 11 -4.198 -19.232 -8.783 92 2HB GLN 11 1HB GLN 11 -5.851 -19.699 -8.405 93 1HG GLN 11 2HG GLN 11 -4.826 -16.875 -8.605 94 2HG GLN 11 1HG GLN 11 -5.766 -17.722 -9.832 95 1HE2 GLN 11 1HE2 GLN 11 -6.328 -15.273 -8.310 96 2HE2 GLN 11 2HE2 GLN 11 -7.855 -15.541 -7.541 97 H ARG 12 H ARG 12 -3.436 -19.555 -4.717 98 HA ARG 12 HA ARG 12 -4.127 -22.407 -4.795 99 1HB ARG 12 2HB ARG 12 -1.344 -21.292 -4.364 100 2HB ARG 12 1HB ARG 12 -1.799 -22.982 -4.211 101 1HG ARG 12 2HG ARG 12 -2.021 -21.403 -6.761 102 2HG ARG 12 1HG ARG 12 -0.636 -22.408 -6.326 103 1HD ARG 12 2HD ARG 12 -2.178 -24.347 -6.141 104 2HD ARG 12 1HD ARG 12 -3.482 -23.317 -6.730 105 HE ARG 12 HE ARG 12 -1.646 -23.034 -8.659 106 1HH1 ARG 12 1HH1 ARG 12 -2.975 -25.876 -7.104 107 2HH1 ARG 12 2HH1 ARG 12 -2.718 -26.899 -8.482 108 1HH2 ARG 12 1HH2 ARG 12 -1.315 -24.375 -10.465 109 2HH2 ARG 12 2HH2 ARG 12 -1.773 -26.046 -10.391 110 H ASP 13 H ASP 13 -3.269 -23.434 -2.659 111 HA ASP 13 HA ASP 13 -4.120 -21.775 -0.439 112 1HB ASP 13 2HB ASP 13 -3.054 -24.613 -0.424 113 2HB ASP 13 1HB ASP 13 -3.821 -23.785 0.923 114 H ALA 14 H ALA 14 -2.761 -20.565 0.695 115 HA ALA 14 HA ALA 14 0.049 -21.373 0.933 116 1HB ALA 14 1HB ALA 14 -0.843 -18.644 0.002 117 2HB ALA 14 2HB ALA 14 -0.026 -19.863 -0.979 118 3HB ALA 14 3HB ALA 14 0.817 -19.115 0.376 119 H GLU 15 H GLU 15 1.175 -19.755 2.518 120 HA GLU 15 HA GLU 15 -0.443 -19.730 4.893 121 1HB GLU 15 2HB GLU 15 1.568 -18.962 6.037 122 2HB GLU 15 1HB GLU 15 1.938 -20.328 5.000 123 1HG GLU 15 2HG GLU 15 2.921 -18.872 3.354 124 2HG GLU 15 1HG GLU 15 2.454 -17.452 4.288 125 H GLY 16 H GLY 16 -1.180 -17.955 6.024 126 1HA GLY 16 2HA GLY 16 -1.712 -15.599 4.472 127 2HA GLY 16 1HA GLY 16 -2.219 -15.890 6.129 128 H GLN 17 H GLN 17 1.027 -15.957 4.834 129 HA GLN 17 HA GLN 17 2.948 -14.933 5.430 130 1HB GLN 17 2HB GLN 17 3.003 -12.607 4.855 131 2HB GLN 17 1HB GLN 17 1.937 -13.448 3.756 132 1HG GLN 17 2HG GLN 17 0.010 -12.535 4.784 133 2HG GLN 17 1HG GLN 17 0.956 -11.890 6.126 134 1HE2 GLN 17 1HE2 GLN 17 2.279 -10.099 5.773 135 2HE2 GLN 17 2HE2 GLN 17 2.048 -9.047 4.424 136 H ASP 18 H ASP 18 3.146 -12.252 6.650 137 HA ASP 18 HA ASP 18 3.584 -13.086 9.319 138 1HB ASP 18 2HB ASP 18 3.736 -10.413 7.948 139 2HB ASP 18 1HB ASP 18 4.019 -10.577 9.676 140 H PHE 19 H PHE 19 2.888 -11.499 11.127 141 HA PHE 19 HA PHE 19 -0.016 -11.587 11.236 142 1HB PHE 19 2HB PHE 19 1.398 -12.513 13.084 143 2HB PHE 19 1HB PHE 19 1.986 -10.884 13.401 144 HD1 PHE 19 1HD PHE 19 0.928 -9.612 14.994 145 HD2 PHE 19 2HD PHE 19 -1.203 -12.799 13.150 146 HE1 PHE 19 1HE PHE 19 -0.961 -9.226 16.520 147 HE2 PHE 19 2HE PHE 19 -3.098 -12.418 14.672 148 HZ PHE 19 HZ PHE 19 -2.978 -10.628 16.362 149 H GLN 20 H GLN 20 -1.168 -9.738 12.235 150 HA GLN 20 HA GLN 20 -1.085 -7.394 10.870 151 1HB GLN 20 2HB GLN 20 -1.979 -7.953 13.691 152 2HB GLN 20 1HB GLN 20 -2.203 -6.382 12.936 153 1HG GLN 20 2HG GLN 20 -3.273 -8.964 11.825 154 2HG GLN 20 1HG GLN 20 -4.191 -7.854 12.840 155 1HE2 GLN 20 1HE2 GLN 20 -4.807 -5.859 12.023 156 2HE2 GLN 20 2HE2 GLN 20 -4.785 -5.508 10.331 157 H LEU 21 H LEU 21 0.187 -5.676 10.761 158 HA LEU 21 HA LEU 21 2.254 -5.325 12.809 159 1HB LEU 21 2HB LEU 21 2.094 -3.978 10.111 160 2HB LEU 21 1HB LEU 21 3.455 -3.972 11.214 161 HG LEU 21 HG LEU 21 3.425 -6.562 10.827 162 1HD1 LEU 21 1HD1 LEU 21 1.998 -5.542 8.376 163 2HD1 LEU 21 2HD1 LEU 21 1.365 -6.674 9.571 164 3HD1 LEU 21 3HD1 LEU 21 2.719 -7.144 8.542 165 1HD2 LEU 21 1HD2 LEU 21 5.245 -5.062 10.211 166 2HD2 LEU 21 2HD2 LEU 21 4.391 -4.617 8.734 167 3HD2 LEU 21 3HD2 LEU 21 4.968 -6.269 8.956 168 H TYR 22 H TYR 22 0.446 -3.166 10.661 169 HA TYR 22 HA TYR 22 -0.356 -1.550 12.941 170 1HB TYR 22 2HB TYR 22 1.341 -0.570 10.663 171 2HB TYR 22 1HB TYR 22 0.302 0.530 11.561 172 HD1 TYR 22 1HD TYR 22 3.404 -1.336 11.577 173 HD2 TYR 22 2HD TYR 22 0.687 0.853 14.006 174 HE1 TYR 22 1HE TYR 22 5.132 -1.125 13.311 175 HE2 TYR 22 2HE TYR 22 2.412 1.076 15.741 176 HH TYR 22 HH TYR 22 5.670 0.386 15.203 177 HA PRO 23 HA PRO 23 -3.136 -0.578 8.993 178 1HB PRO 23 2HB PRO 23 -2.629 -3.133 7.563 179 2HB PRO 23 1HB PRO 23 -2.938 -1.521 6.908 180 1HG PRO 23 2HG PRO 23 -0.491 -2.558 6.857 181 2HG PRO 23 1HG PRO 23 -0.741 -0.840 7.216 182 1HD PRO 23 2HD PRO 23 -0.130 -3.097 9.076 183 2HD PRO 23 1HD PRO 23 0.480 -1.429 9.090 184 H GLY 24 H GLY 24 -5.250 -1.108 9.312 185 1HA GLY 24 2HA GLY 24 -5.662 -3.199 11.297 186 2HA GLY 24 1HA GLY 24 -6.782 -1.910 10.895 187 H GLU 25 H GLU 25 -8.504 -2.416 9.713 188 HA GLU 25 HA GLU 25 -9.055 -5.123 9.158 189 1HB GLU 25 2HB GLU 25 -10.532 -2.702 8.117 190 2HB GLU 25 1HB GLU 25 -11.153 -4.345 8.209 191 1HG GLU 25 2HG GLU 25 -10.592 -2.424 10.439 192 2HG GLU 25 1HG GLU 25 -12.106 -3.223 10.020 193 H LEU 26 H LEU 26 -8.056 -2.439 7.113 194 HA LEU 26 HA LEU 26 -8.301 -3.852 4.666 195 1HB LEU 26 2HB LEU 26 -8.190 -1.400 4.772 196 2HB LEU 26 1HB LEU 26 -6.546 -1.501 5.371 197 HG LEU 26 HG LEU 26 -5.830 -2.508 3.246 198 1HD1 LEU 26 1HD1 LEU 26 -7.892 -3.602 2.601 199 2HD1 LEU 26 2HD1 LEU 26 -7.366 -2.501 1.328 200 3HD1 LEU 26 3HD1 LEU 26 -8.687 -2.042 2.403 201 1HD2 LEU 26 1HD2 LEU 26 -5.708 -0.086 3.560 202 2HD2 LEU 26 2HD2 LEU 26 -7.337 0.081 2.907 203 3HD2 LEU 26 3HD2 LEU 26 -6.032 -0.508 1.878 204 H GLY 27 H GLY 27 -5.759 -3.495 7.052 205 1HA GLY 27 2HA GLY 27 -3.634 -4.630 5.602 206 2HA GLY 27 1HA GLY 27 -3.775 -4.600 7.354 207 H LYS 28 H LYS 28 -5.729 -6.155 8.040 208 HA LYS 28 HA LYS 28 -4.727 -8.747 7.697 209 1HB LYS 28 2HB LYS 28 -6.709 -9.494 8.917 210 2HB LYS 28 1HB LYS 28 -6.038 -8.047 9.657 211 1HG LYS 28 2HG LYS 28 -7.743 -6.707 8.458 212 2HG LYS 28 1HG LYS 28 -8.458 -8.210 7.881 213 1HD LYS 28 2HD LYS 28 -9.686 -7.454 9.799 214 2HD LYS 28 1HD LYS 28 -8.776 -8.898 10.246 215 1HE LYS 28 2HE LYS 28 -7.133 -7.600 11.387 216 2HE LYS 28 1HE LYS 28 -7.802 -6.096 10.754 217 1HZ LYS 28 1HZ LYS 28 -9.784 -6.442 12.046 218 2HZ LYS 28 2HZ LYS 28 -8.430 -6.510 13.063 219 3HZ LYS 28 3HZ LYS 28 -9.214 -7.937 12.605 220 H ARG 29 H ARG 29 -7.188 -6.973 5.985 221 HA ARG 29 HA ARG 29 -8.428 -9.086 4.616 222 1HB ARG 29 2HB ARG 29 -9.303 -6.773 4.732 223 2HB ARG 29 1HB ARG 29 -7.993 -6.243 3.687 224 1HG ARG 29 2HG ARG 29 -8.841 -7.675 1.898 225 2HG ARG 29 1HG ARG 29 -10.157 -8.199 2.951 226 1HD ARG 29 2HD ARG 29 -10.915 -5.858 3.118 227 2HD ARG 29 1HD ARG 29 -9.640 -5.386 1.996 228 HE ARG 29 HE ARG 29 -11.107 -7.394 0.763 229 1HH1 ARG 29 1HH1 ARG 29 -11.633 -4.136 1.925 230 2HH1 ARG 29 2HH1 ARG 29 -12.866 -3.778 0.765 231 1HH2 ARG 29 1HH2 ARG 29 -12.741 -6.947 -0.767 232 2HH2 ARG 29 2HH2 ARG 29 -13.514 -5.393 -0.764 233 H ILE 30 H ILE 30 -5.546 -7.178 3.902 234 HA ILE 30 HA ILE 30 -5.128 -8.467 1.360 235 HB ILE 30 HB ILE 30 -3.239 -6.749 2.982 236 1HG1 ILE 30 2HG1 ILE 30 -5.007 -6.020 0.632 237 2HG1 ILE 30 1HG1 ILE 30 -5.328 -5.595 2.310 238 1HG2 ILE 30 1HG2 ILE 30 -2.048 -8.150 1.388 239 2HG2 ILE 30 2HG2 ILE 30 -2.018 -6.464 0.873 240 3HG2 ILE 30 3HG2 ILE 30 -3.111 -7.605 0.089 241 1HD1 ILE 30 1HD1 ILE 30 -2.981 -4.676 0.666 242 2HD1 ILE 30 2HD1 ILE 30 -3.272 -4.269 2.358 243 3HD1 ILE 30 3HD1 ILE 30 -4.391 -3.716 1.112 244 H TYR 31 H TYR 31 -3.799 -8.702 4.628 245 HA TYR 31 HA TYR 31 -1.640 -10.391 3.967 246 1HB TYR 31 2HB TYR 31 -3.019 -10.083 6.639 247 2HB TYR 31 1HB TYR 31 -1.433 -10.796 6.378 248 HD1 TYR 31 1HD TYR 31 -0.817 -8.550 4.173 249 HD2 TYR 31 2HD TYR 31 -2.036 -8.519 8.245 250 HE1 TYR 31 1HE TYR 31 0.201 -6.337 4.454 251 HE2 TYR 31 2HE TYR 31 -1.022 -6.298 8.535 252 HH TYR 31 HH TYR 31 0.035 -4.399 5.900 253 H ASN 32 H ASN 32 -4.998 -11.122 4.659 254 HA ASN 32 HA ASN 32 -4.316 -13.935 4.997 255 1HB ASN 32 2HB ASN 32 -6.411 -14.322 5.900 256 2HB ASN 32 1HB ASN 32 -6.078 -12.683 6.427 257 1HD2 ASN 32 1HD2 ASN 32 -6.705 -11.411 3.915 258 2HD2 ASN 32 2HD2 ASN 32 -8.415 -11.528 3.717 259 H GLU 33 H GLU 33 -4.744 -12.012 2.416 260 HA GLU 33 HA GLU 33 -5.714 -14.288 0.819 261 1HB GLU 33 2HB GLU 33 -6.244 -11.344 0.377 262 2HB GLU 33 1HB GLU 33 -6.543 -12.577 -0.845 263 1HG GLU 33 2HG GLU 33 -8.113 -13.693 0.648 264 2HG GLU 33 1HG GLU 33 -7.807 -12.479 1.888 265 H ILE 34 H ILE 34 -3.127 -12.551 1.653 266 HA ILE 34 HA ILE 34 -1.744 -13.187 -0.855 267 HB ILE 34 HB ILE 34 -1.579 -10.676 0.782 268 1HG1 ILE 34 2HG1 ILE 34 -2.995 -10.731 -1.222 269 2HG1 ILE 34 1HG1 ILE 34 -1.645 -9.616 -1.413 270 1HG2 ILE 34 1HG2 ILE 34 0.526 -10.086 -0.338 271 2HG2 ILE 34 2HG2 ILE 34 0.606 -11.710 -1.018 272 3HG2 ILE 34 3HG2 ILE 34 0.710 -11.481 0.726 273 1HD1 ILE 34 1HD1 ILE 34 -0.444 -11.404 -2.665 274 2HD1 ILE 34 2HD1 ILE 34 -1.912 -10.816 -3.451 275 3HD1 ILE 34 3HD1 ILE 34 -1.924 -12.360 -2.602 276 H SER 35 H SER 35 0.218 -14.215 -0.616 277 HA SER 35 HA SER 35 0.825 -15.023 2.121 278 1HB SER 35 2HB SER 35 0.396 -16.753 0.354 279 2HB SER 35 1HB SER 35 1.896 -16.241 -0.420 280 HG SER 35 HG SER 35 1.543 -17.374 2.156 281 H LYS 36 H LYS 36 3.163 -15.547 2.427 282 HA LYS 36 HA LYS 36 4.596 -13.181 2.628 283 1HB LYS 36 2HB LYS 36 4.974 -14.920 4.187 284 2HB LYS 36 1HB LYS 36 5.340 -16.082 2.925 285 1HG LYS 36 2HG LYS 36 7.458 -15.134 2.527 286 2HG LYS 36 1HG LYS 36 7.073 -13.695 3.469 287 1HD LYS 36 2HD LYS 36 7.160 -16.458 4.656 288 2HD LYS 36 1HD LYS 36 8.565 -15.389 4.611 289 1HE LYS 36 2HE LYS 36 5.915 -14.765 5.914 290 2HE LYS 36 1HE LYS 36 7.375 -15.274 6.761 291 1HZ LYS 36 1HZ LYS 36 8.460 -13.280 6.186 292 2HZ LYS 36 2HZ LYS 36 6.919 -12.815 6.718 293 3HZ LYS 36 3HZ LYS 36 7.274 -12.849 5.063 294 H ASP 37 H ASP 37 4.650 -15.645 0.122 295 HA ASP 37 HA ASP 37 7.154 -14.851 -0.997 296 1HB ASP 37 2HB ASP 37 6.706 -16.384 -2.753 297 2HB ASP 37 1HB ASP 37 6.014 -17.107 -1.306 298 H ALA 38 H ALA 38 3.779 -14.080 -1.684 299 HA ALA 38 HA ALA 38 4.425 -12.413 -3.936 300 1HB ALA 38 1HB ALA 38 2.050 -11.870 -3.954 301 2HB ALA 38 2HB ALA 38 1.848 -12.662 -2.390 302 3HB ALA 38 3HB ALA 38 2.294 -13.610 -3.809 303 H TRP 39 H TRP 39 3.634 -11.937 -0.539 304 HA TRP 39 HA TRP 39 3.380 -9.144 -0.560 305 1HB TRP 39 2HB TRP 39 2.711 -10.636 1.326 306 2HB TRP 39 1HB TRP 39 4.415 -10.875 1.699 307 HD1 TRP 39 HD TRP 39 5.398 -9.258 3.426 308 HE1 TRP 39 1HE TRP 39 4.690 -7.006 4.450 309 HE3 TRP 39 3HE TRP 39 1.275 -8.320 0.554 310 HZ2 TRP 39 2HZ TRP 39 2.657 -5.083 4.086 311 HZ3 TRP 39 3HZ TRP 39 0.010 -6.249 0.954 312 HH2 TRP 39 HH TRP 39 0.686 -4.667 2.684 313 H ALA 40 H ALA 40 6.212 -11.196 0.105 314 HA ALA 40 HA ALA 40 8.012 -9.035 0.491 315 1HB ALA 40 1HB ALA 40 8.592 -11.889 -0.306 316 2HB ALA 40 2HB ALA 40 8.488 -11.271 1.344 317 3HB ALA 40 3HB ALA 40 9.779 -10.722 0.275 318 H GLN 41 H GLN 41 7.040 -10.918 -2.305 319 HA GLN 41 HA GLN 41 8.907 -10.069 -4.180 320 1HB GLN 41 2HB GLN 41 7.384 -11.848 -4.715 321 2HB GLN 41 1HB GLN 41 5.993 -10.805 -4.473 322 1HG GLN 41 2HG GLN 41 6.261 -11.109 -6.804 323 2HG GLN 41 1HG GLN 41 6.744 -9.459 -6.423 324 1HE2 GLN 41 1HE2 GLN 41 8.746 -12.278 -5.810 325 2HE2 GLN 41 2HE2 GLN 41 9.941 -11.919 -7.007 326 H TRP 42 H TRP 42 5.725 -8.624 -3.400 327 HA TRP 42 HA TRP 42 6.200 -6.547 -5.328 328 1HB TRP 42 2HB TRP 42 3.924 -7.502 -4.886 329 2HB TRP 42 1HB TRP 42 3.937 -6.656 -3.338 330 HD1 TRP 42 HD TRP 42 2.601 -4.466 -3.498 331 HE1 TRP 42 1HE TRP 42 2.244 -2.647 -5.292 332 HE3 TRP 42 3HE TRP 42 5.408 -6.461 -7.280 333 HZ2 TRP 42 2HZ TRP 42 3.028 -2.134 -7.939 334 HZ3 TRP 42 3HZ TRP 42 5.553 -5.238 -9.409 335 HH2 TRP 42 HH TRP 42 4.387 -3.121 -9.730 336 H GLN 43 H GLN 43 6.350 -6.783 -1.793 337 HA GLN 43 HA GLN 43 6.614 -4.007 -1.351 338 1HB GLN 43 2HB GLN 43 7.420 -6.416 0.227 339 2HB GLN 43 1HB GLN 43 7.964 -4.822 0.731 340 1HG GLN 43 2HG GLN 43 5.452 -4.198 0.533 341 2HG GLN 43 1HG GLN 43 5.203 -5.939 0.643 342 1HE2 GLN 43 1HE2 GLN 43 4.517 -3.758 2.489 343 2HE2 GLN 43 2HE2 GLN 43 5.242 -4.180 3.999 344 H HIS 44 H HIS 44 8.978 -6.507 -2.094 345 HA HIS 44 HA HIS 44 11.290 -4.934 -1.767 346 1HB HIS 44 2HB HIS 44 11.302 -7.397 -1.947 347 2HB HIS 44 1HB HIS 44 10.826 -7.266 -3.636 348 HD1 HIS 44 1HD HIS 44 13.759 -6.621 -1.352 349 HD2 HIS 44 2HD HIS 44 12.877 -6.749 -5.409 350 HE1 HIS 44 1HE HIS 44 15.983 -6.569 -2.527 351 HE2 HIS 44 2HE HIS 44 15.403 -6.425 -4.977 352 H LYS 45 H LYS 45 9.286 -5.628 -4.601 353 HA LYS 45 HA LYS 45 10.846 -4.102 -6.415 354 1HB LYS 45 2HB LYS 45 9.347 -5.943 -7.097 355 2HB LYS 45 1HB LYS 45 7.958 -4.981 -6.619 356 1HG LYS 45 2HG LYS 45 8.261 -4.945 -9.019 357 2HG LYS 45 1HG LYS 45 8.498 -3.335 -8.340 358 1HD LYS 45 2HD LYS 45 10.892 -3.562 -8.513 359 2HD LYS 45 1HD LYS 45 10.733 -5.244 -9.023 360 1HE LYS 45 2HE LYS 45 9.579 -4.528 -11.052 361 2HE LYS 45 1HE LYS 45 9.698 -2.848 -10.535 362 1HZ LYS 45 1HZ LYS 45 11.970 -4.641 -11.199 363 2HZ LYS 45 2HZ LYS 45 12.121 -3.055 -10.640 364 3HZ LYS 45 3HZ LYS 45 11.398 -3.354 -12.138 365 H GLN 46 H GLN 46 7.893 -3.416 -4.578 366 HA GLN 46 HA GLN 46 7.330 -0.908 -5.688 367 1HB GLN 46 2HB GLN 46 5.776 -2.225 -4.249 368 2HB GLN 46 1HB GLN 46 6.764 -1.805 -2.856 369 1HG GLN 46 2HG GLN 46 4.866 -0.360 -2.917 370 2HG GLN 46 1HG GLN 46 6.305 0.583 -3.304 371 1HE2 GLN 46 1HE2 GLN 46 5.184 2.167 -4.388 372 2HE2 GLN 46 2HE2 GLN 46 4.435 1.920 -5.933 373 H THR 47 H THR 47 9.308 -1.799 -2.869 374 HA THR 47 HA THR 47 9.929 0.813 -2.052 375 HB THR 47 HB THR 47 11.708 -1.618 -1.763 376 HG1 THR 47 1HG THR 47 9.675 -2.083 -0.885 377 1HG2 THR 47 1HG2 THR 47 11.495 0.932 -0.156 378 2HG2 THR 47 2HG2 THR 47 12.832 0.476 -1.213 379 3HG2 THR 47 3HG2 THR 47 12.511 -0.448 0.255 380 H MET 48 H MET 48 11.453 -1.335 -4.409 381 HA MET 48 HA MET 48 13.643 0.371 -4.999 382 1HB MET 48 2HB MET 48 13.613 -2.045 -5.551 383 2HB MET 48 1HB MET 48 12.363 -1.741 -6.749 384 1HG MET 48 2HG MET 48 14.538 -1.956 -7.797 385 2HG MET 48 1HG MET 48 13.896 -0.329 -8.011 386 1HE MET 48 1HE MET 48 16.451 -2.591 -6.117 387 2HE MET 48 2HE MET 48 15.590 -1.867 -4.760 388 3HE MET 48 3HE MET 48 17.275 -1.444 -5.062 389 H LEU 49 H LEU 49 10.394 0.004 -6.304 390 HA LEU 49 HA LEU 49 10.613 1.831 -8.430 391 1HB LEU 49 2HB LEU 49 8.472 0.467 -7.004 392 2HB LEU 49 1HB LEU 49 8.004 2.066 -7.552 393 HG LEU 49 HG LEU 49 8.617 1.449 -9.855 394 1HD1 LEU 49 1HD1 LEU 49 9.091 -0.895 -10.391 395 2HD1 LEU 49 2HD1 LEU 49 9.175 -1.260 -8.667 396 3HD1 LEU 49 3HD1 LEU 49 10.352 -0.169 -9.398 397 1HD2 LEU 49 1HD2 LEU 49 6.739 -0.518 -8.553 398 2HD2 LEU 49 2HD2 LEU 49 6.768 -0.078 -10.260 399 3HD2 LEU 49 3HD2 LEU 49 6.322 1.122 -9.048 400 H ILE 50 H ILE 50 9.723 2.263 -5.037 401 HA ILE 50 HA ILE 50 9.157 5.014 -5.124 402 HB ILE 50 HB ILE 50 10.315 3.397 -2.844 403 1HG1 ILE 50 2HG1 ILE 50 7.442 4.175 -3.361 404 2HG1 ILE 50 1HG1 ILE 50 8.120 2.618 -3.818 405 1HG2 ILE 50 1HG2 ILE 50 10.635 5.783 -2.483 406 2HG2 ILE 50 2HG2 ILE 50 9.397 5.158 -1.392 407 3HG2 ILE 50 3HG2 ILE 50 8.931 6.080 -2.821 408 1HD1 ILE 50 1HD1 ILE 50 8.590 2.130 -1.487 409 2HD1 ILE 50 2HD1 ILE 50 6.882 2.488 -1.732 410 3HD1 ILE 50 3HD1 ILE 50 7.945 3.701 -1.019 411 H ASN 51 H ASN 51 12.162 3.250 -4.592 412 HA ASN 51 HA ASN 51 13.826 5.491 -4.154 413 1HB ASN 51 2HB ASN 51 14.511 3.254 -3.494 414 2HB ASN 51 1HB ASN 51 14.455 2.708 -5.166 415 1HD2 ASN 51 1HD2 ASN 51 16.206 4.524 -2.800 416 2HD2 ASN 51 2HD2 ASN 51 17.667 4.691 -3.706 417 H GLU 52 H GLU 52 12.778 3.804 -7.040 418 HA GLU 52 HA GLU 52 14.632 5.149 -8.763 419 1HB GLU 52 2HB GLU 52 12.724 2.972 -8.970 420 2HB GLU 52 1HB GLU 52 12.682 4.025 -10.377 421 1HG GLU 52 2HG GLU 52 15.061 2.574 -9.251 422 2HG GLU 52 1HG GLU 52 14.251 2.281 -10.792 423 H LYS 53 H LYS 53 11.114 5.333 -8.246 424 HA LYS 53 HA LYS 53 10.790 7.466 -10.130 425 1HB LYS 53 2HB LYS 53 8.941 6.547 -7.918 426 2HB LYS 53 1HB LYS 53 8.506 7.630 -9.234 427 1HG LYS 53 2HG LYS 53 8.927 5.836 -10.847 428 2HG LYS 53 1HG LYS 53 9.350 4.752 -9.519 429 1HD LYS 53 2HD LYS 53 7.065 5.119 -8.586 430 2HD LYS 53 1HD LYS 53 6.671 6.045 -10.036 431 1HE LYS 53 2HE LYS 53 7.517 3.149 -9.961 432 2HE LYS 53 1HE LYS 53 5.870 3.733 -10.186 433 1HZ LYS 53 1HZ LYS 53 8.158 4.171 -12.031 434 2HZ LYS 53 2HZ LYS 53 6.618 4.837 -12.235 435 3HZ LYS 53 3HZ LYS 53 6.828 3.162 -12.295 436 H LYS 54 H LYS 54 11.685 7.191 -6.843 437 HA LYS 54 HA LYS 54 12.322 8.651 -5.249 438 1HB LYS 54 2HB LYS 54 12.604 10.578 -7.562 439 2HB LYS 54 1HB LYS 54 13.321 10.768 -5.966 440 1HG LYS 54 2HG LYS 54 14.445 8.511 -6.410 441 2HG LYS 54 1HG LYS 54 13.992 8.769 -8.093 442 1HD LYS 54 2HD LYS 54 15.253 10.835 -8.148 443 2HD LYS 54 1HD LYS 54 15.637 10.672 -6.431 444 1HE LYS 54 2HE LYS 54 16.524 8.882 -8.686 445 2HE LYS 54 1HE LYS 54 17.533 9.936 -7.700 446 1HZ LYS 54 1HZ LYS 54 16.093 7.499 -6.789 447 2HZ LYS 54 2HZ LYS 54 16.926 8.555 -5.762 448 3HZ LYS 54 3HZ LYS 54 17.767 7.690 -6.947 449 H LEU 55 H LEU 55 9.664 8.291 -5.489 450 HA LEU 55 HA LEU 55 8.348 10.870 -5.425 451 1HB LEU 55 2HB LEU 55 6.285 9.475 -5.095 452 2HB LEU 55 1HB LEU 55 7.133 9.222 -6.604 453 HG LEU 55 HG LEU 55 8.212 7.196 -5.351 454 1HD1 LEU 55 1HD1 LEU 55 7.349 7.715 -3.137 455 2HD1 LEU 55 2HD1 LEU 55 6.708 6.175 -3.711 456 3HD1 LEU 55 3HD1 LEU 55 5.697 7.617 -3.746 457 1HD2 LEU 55 1HD2 LEU 55 5.331 7.171 -6.234 458 2HD2 LEU 55 2HD2 LEU 55 6.392 5.768 -6.110 459 3HD2 LEU 55 3HD2 LEU 55 6.739 7.031 -7.290 460 H ASN 56 H ASN 56 7.154 11.621 -3.630 461 HA ASN 56 HA ASN 56 8.156 10.569 -1.075 462 1HB ASN 56 2HB ASN 56 7.443 13.368 -1.915 463 2HB ASN 56 1HB ASN 56 7.633 12.915 -0.225 464 1HD2 ASN 56 1HD2 ASN 56 9.783 11.033 -0.746 465 2HD2 ASN 56 2HD2 ASN 56 11.179 11.971 -1.138 466 H MET 57 H MET 57 6.777 9.947 0.455 467 HA MET 57 HA MET 57 3.964 9.836 -0.083 468 1HB MET 57 2HB MET 57 5.616 9.106 2.334 469 2HB MET 57 1HB MET 57 3.866 8.939 2.296 470 1HG MET 57 2HG MET 57 4.880 6.822 1.828 471 2HG MET 57 1HG MET 57 4.082 7.418 0.374 472 1HE MET 57 1HE MET 57 7.072 5.524 -1.203 473 2HE MET 57 2HE MET 57 5.325 5.763 -1.185 474 3HE MET 57 3HE MET 57 6.129 5.032 0.205 475 H MET 58 H MET 58 5.914 12.244 0.881 476 HA MET 58 HA MET 58 4.463 13.610 2.862 477 1HB MET 58 2HB MET 58 6.184 14.723 0.631 478 2HB MET 58 1HB MET 58 5.678 15.604 2.063 479 1HG MET 58 2HG MET 58 6.990 14.198 3.479 480 2HG MET 58 1HG MET 58 7.359 13.117 2.137 481 1HE MET 58 1HE MET 58 8.924 17.452 2.426 482 2HE MET 58 2HE MET 58 7.842 16.719 3.610 483 3HE MET 58 3HE MET 58 7.265 17.058 1.978 484 H ASN 59 H ASN 59 4.098 13.289 -0.579 485 HA ASN 59 HA ASN 59 1.864 15.189 -0.583 486 1HB ASN 59 2HB ASN 59 3.450 13.942 -2.835 487 2HB ASN 59 1HB ASN 59 1.977 14.866 -3.099 488 1HD2 ASN 59 1HD2 ASN 59 2.984 16.444 -4.271 489 2HD2 ASN 59 2HD2 ASN 59 4.066 17.595 -3.573 490 H ALA 60 H ALA 60 -0.180 14.514 -0.808 491 HA ALA 60 HA ALA 60 -0.850 11.870 -0.176 492 1HB ALA 60 1HB ALA 60 -2.268 13.834 0.290 493 2HB ALA 60 2HB ALA 60 -3.145 12.528 -0.504 494 3HB ALA 60 3HB ALA 60 -2.642 13.941 -1.430 495 H GLU 61 H GLU 61 -0.391 13.412 -3.257 496 HA GLU 61 HA GLU 61 -1.819 11.664 -4.903 497 1HB GLU 61 2HB GLU 61 0.734 13.159 -5.510 498 2HB GLU 61 1HB GLU 61 -0.302 12.399 -6.712 499 1HG GLU 61 2HG GLU 61 -0.941 14.740 -4.946 500 2HG GLU 61 1HG GLU 61 -0.792 14.716 -6.700 501 H HIS 62 H HIS 62 1.288 11.265 -3.342 502 HA HIS 62 HA HIS 62 1.821 8.904 -4.973 503 1HB HIS 62 2HB HIS 62 3.501 10.329 -2.917 504 2HB HIS 62 1HB HIS 62 3.988 8.824 -3.698 505 HD1 HIS 62 1HD HIS 62 4.053 8.993 -6.439 506 HD2 HIS 62 2HD HIS 62 4.195 12.550 -4.298 507 HE1 HIS 62 1HE HIS 62 4.905 10.720 -8.054 508 HE2 HIS 62 2HE HIS 62 4.897 12.883 -6.762 509 H ARG 63 H ARG 63 0.453 9.733 -1.975 510 HA ARG 63 HA ARG 63 0.789 7.181 -0.729 511 1HB ARG 63 2HB ARG 63 0.200 9.213 0.558 512 2HB ARG 63 1HB ARG 63 -1.346 9.282 -0.276 513 1HG ARG 63 2HG ARG 63 -1.650 8.336 1.913 514 2HG ARG 63 1HG ARG 63 -1.936 7.093 0.692 515 1HD ARG 63 2HD ARG 63 0.826 7.086 1.401 516 2HD ARG 63 1HD ARG 63 -0.141 7.031 2.874 517 HE ARG 63 HE ARG 63 -1.206 5.175 1.061 518 1HH1 ARG 63 1HH1 ARG 63 1.710 5.677 2.956 519 2HH1 ARG 63 2HH1 ARG 63 2.048 3.980 3.109 520 1HH2 ARG 63 1HH2 ARG 63 -0.752 2.952 1.267 521 2HH2 ARG 63 2HH2 ARG 63 0.653 2.443 2.166 522 H LYS 64 H LYS 64 -1.854 8.754 -2.521 523 HA LYS 64 HA LYS 64 -3.510 6.472 -2.677 524 1HB LYS 64 2HB LYS 64 -4.692 7.656 -4.466 525 2HB LYS 64 1HB LYS 64 -4.353 8.736 -3.122 526 1HG LYS 64 2HG LYS 64 -2.431 9.636 -4.371 527 2HG LYS 64 1HG LYS 64 -2.854 8.592 -5.726 528 1HD LYS 64 2HD LYS 64 -3.679 10.854 -6.081 529 2HD LYS 64 1HD LYS 64 -5.018 9.717 -5.920 530 1HE LYS 64 2HE LYS 64 -5.522 10.467 -3.740 531 2HE LYS 64 1HE LYS 64 -3.984 11.316 -3.594 532 1HZ LYS 64 1HZ LYS 64 -6.040 12.080 -5.596 533 2HZ LYS 64 2HZ LYS 64 -4.689 12.976 -5.077 534 3HZ LYS 64 3HZ LYS 64 -5.999 12.732 -4.032 535 H LEU 65 H LEU 65 -0.781 7.563 -4.561 536 HA LEU 65 HA LEU 65 -1.060 5.778 -6.734 537 1HB LEU 65 2HB LEU 65 0.649 7.810 -6.094 538 2HB LEU 65 1HB LEU 65 1.683 6.414 -5.878 539 HG LEU 65 HG LEU 65 1.978 7.310 -8.097 540 1HD1 LEU 65 1HD1 LEU 65 0.407 4.744 -8.207 541 2HD1 LEU 65 2HD1 LEU 65 2.131 4.895 -7.865 542 3HD1 LEU 65 3HD1 LEU 65 1.505 5.346 -9.450 543 1HD2 LEU 65 1HD2 LEU 65 -0.985 6.891 -8.471 544 2HD2 LEU 65 2HD2 LEU 65 0.154 7.400 -9.718 545 3HD2 LEU 65 3HD2 LEU 65 -0.161 8.443 -8.332 546 H LEU 66 H LEU 66 0.679 5.528 -3.640 547 HA LEU 66 HA LEU 66 1.802 2.984 -4.002 548 1HB LEU 66 2HB LEU 66 2.167 4.755 -2.139 549 2HB LEU 66 1HB LEU 66 0.800 3.998 -1.347 550 HG LEU 66 HG LEU 66 3.281 2.468 -2.129 551 1HD1 LEU 66 1HD1 LEU 66 3.976 2.691 0.208 552 2HD1 LEU 66 2HD1 LEU 66 2.627 3.788 0.500 553 3HD1 LEU 66 3HD1 LEU 66 3.916 4.250 -0.611 554 1HD2 LEU 66 1HD2 LEU 66 1.070 1.883 -0.161 555 2HD2 LEU 66 2HD2 LEU 66 2.492 0.878 -0.443 556 3HD2 LEU 66 3HD2 LEU 66 1.300 1.102 -1.725 557 H GLU 67 H GLU 67 -1.287 3.982 -2.559 558 HA GLU 67 HA GLU 67 -2.386 1.494 -2.023 559 1HB GLU 67 2HB GLU 67 -3.459 4.183 -2.601 560 2HB GLU 67 1HB GLU 67 -4.570 2.859 -2.912 561 1HG GLU 67 2HG GLU 67 -4.871 3.758 -0.680 562 2HG GLU 67 1HG GLU 67 -4.327 2.084 -0.627 563 H GLN 68 H GLN 68 -2.528 3.367 -5.032 564 HA GLN 68 HA GLN 68 -4.070 1.620 -6.531 565 1HB GLN 68 2HB GLN 68 -1.978 3.631 -7.270 566 2HB GLN 68 1HB GLN 68 -2.733 2.637 -8.507 567 1HG GLN 68 2HG GLN 68 -4.929 3.478 -7.833 568 2HG GLN 68 1HG GLN 68 -4.159 4.486 -6.610 569 1HE2 GLN 68 1HE2 GLN 68 -3.081 6.330 -7.223 570 2HE2 GLN 68 2HE2 GLN 68 -3.169 6.984 -8.818 571 H GLU 69 H GLU 69 -0.499 1.838 -6.581 572 HA GLU 69 HA GLU 69 -0.152 -0.248 -8.416 573 1HB GLU 69 2HB GLU 69 1.770 0.753 -6.308 574 2HB GLU 69 1HB GLU 69 2.207 -0.264 -7.675 575 1HG GLU 69 2HG GLU 69 1.427 1.529 -9.198 576 2HG GLU 69 1HG GLU 69 1.136 2.547 -7.789 577 H MET 70 H MET 70 -0.034 -0.308 -4.870 578 HA MET 70 HA MET 70 0.777 -3.011 -4.688 579 1HB MET 70 2HB MET 70 1.104 -1.435 -2.852 580 2HB MET 70 1HB MET 70 -0.636 -1.303 -2.640 581 1HG MET 70 2HG MET 70 -0.800 -3.560 -1.903 582 2HG MET 70 1HG MET 70 0.870 -3.890 -2.356 583 1HE MET 70 1HE MET 70 2.890 -1.886 0.302 584 2HE MET 70 2HE MET 70 2.457 -1.404 -1.337 585 3HE MET 70 3HE MET 70 2.976 -3.058 -1.013 586 H VAL 71 H VAL 71 -2.446 -1.513 -4.456 587 HA VAL 71 HA VAL 71 -3.736 -3.981 -3.891 588 HB VAL 71 HB VAL 71 -4.953 -1.426 -4.957 589 1HG1 VAL 71 1HG1 VAL 71 -6.280 -3.747 -3.556 590 2HG1 VAL 71 2HG1 VAL 71 -6.387 -3.407 -5.282 591 3HG1 VAL 71 3HG1 VAL 71 -7.064 -2.269 -4.118 592 1HG2 VAL 71 1HG2 VAL 71 -3.786 -1.107 -2.830 593 2HG2 VAL 71 2HG2 VAL 71 -4.709 -2.433 -2.123 594 3HG2 VAL 71 3HG2 VAL 71 -5.532 -0.958 -2.635 595 H SER 72 H SER 72 -2.803 -2.374 -6.859 596 HA SER 72 HA SER 72 -4.484 -3.807 -8.624 597 1HB SER 72 2HB SER 72 -1.821 -2.447 -9.010 598 2HB SER 72 1HB SER 72 -2.632 -3.286 -10.327 599 HG SER 72 HG SER 72 -3.916 -1.666 -10.535 600 H PHE 73 H PHE 73 -1.216 -4.462 -7.419 601 HA PHE 73 HA PHE 73 -0.907 -6.739 -9.163 602 1HB PHE 73 2HB PHE 73 0.944 -5.160 -8.500 603 2HB PHE 73 1HB PHE 73 0.884 -5.867 -6.891 604 HD1 PHE 73 1HD PHE 73 1.888 -7.971 -6.429 605 HD2 PHE 73 2HD PHE 73 1.661 -6.528 -10.427 606 HE1 PHE 73 1HE PHE 73 3.462 -9.719 -7.147 607 HE2 PHE 73 2HE PHE 73 3.232 -8.275 -11.151 608 HZ PHE 73 HZ PHE 73 4.135 -9.874 -9.512 609 H LEU 74 H LEU 74 -1.543 -6.195 -5.744 610 HA LEU 74 HA LEU 74 -1.205 -9.030 -5.197 611 1HB LEU 74 2HB LEU 74 -1.692 -6.680 -3.383 612 2HB LEU 74 1HB LEU 74 -1.541 -8.332 -2.823 613 HG LEU 74 HG LEU 74 0.624 -6.793 -4.262 614 1HD1 LEU 74 1HD1 LEU 74 0.203 -5.892 -2.041 615 2HD1 LEU 74 2HD1 LEU 74 1.740 -6.755 -2.087 616 3HD1 LEU 74 3HD1 LEU 74 0.327 -7.509 -1.350 617 1HD2 LEU 74 1HD2 LEU 74 0.780 -9.187 -4.661 618 2HD2 LEU 74 2HD2 LEU 74 0.654 -9.501 -2.930 619 3HD2 LEU 74 3HD2 LEU 74 2.064 -8.660 -3.571 620 H PHE 75 H PHE 75 -3.797 -6.617 -5.200 621 HA PHE 75 HA PHE 75 -5.604 -8.646 -4.078 622 1HB PHE 75 2HB PHE 75 -5.250 -6.407 -2.912 623 2HB PHE 75 1HB PHE 75 -6.136 -5.688 -4.248 624 HD1 PHE 75 1HD PHE 75 -6.416 -8.270 -1.599 625 HD2 PHE 75 2HD PHE 75 -8.449 -5.575 -4.188 626 HE1 PHE 75 1HE PHE 75 -8.533 -8.760 -0.442 627 HE2 PHE 75 2HE PHE 75 -10.567 -6.063 -3.041 628 HZ PHE 75 HZ PHE 75 -10.611 -7.652 -1.167 629 H GLU 76 H GLU 76 -5.373 -6.197 -6.622 630 HA GLU 76 HA GLU 76 -6.344 -5.966 -8.648 631 1HB GLU 76 2HB GLU 76 -7.194 -8.836 -8.263 632 2HB GLU 76 1HB GLU 76 -7.290 -7.943 -9.774 633 1HG GLU 76 2HG GLU 76 -4.826 -7.638 -9.665 634 2HG GLU 76 1HG GLU 76 -4.807 -8.711 -8.270 635 H GLY 77 H GLY 77 -7.920 -5.746 -6.000 636 1HA GLY 77 2HA GLY 77 -10.643 -6.001 -7.055 637 2HA GLY 77 1HA GLY 77 -10.217 -5.745 -5.372 638 H LYS 78 H LYS 78 -8.703 -3.869 -7.843 639 HA LYS 78 HA LYS 78 -10.418 -1.580 -7.184 640 1HB LYS 78 2HB LYS 78 -8.341 -0.154 -7.385 641 2HB LYS 78 1HB LYS 78 -8.418 -1.185 -5.964 642 1HG LYS 78 2HG LYS 78 -6.294 -1.635 -6.572 643 2HG LYS 78 1HG LYS 78 -7.099 -2.831 -7.586 644 1HD LYS 78 2HD LYS 78 -5.574 -1.756 -9.006 645 2HD LYS 78 1HD LYS 78 -7.139 -1.029 -9.386 646 1HE LYS 78 2HE LYS 78 -6.623 0.938 -8.197 647 2HE LYS 78 1HE LYS 78 -5.240 0.186 -7.403 648 1HZ LYS 78 1HZ LYS 78 -4.158 0.034 -9.574 649 2HZ LYS 78 2HZ LYS 78 -4.503 1.637 -9.151 650 3HZ LYS 78 3HZ LYS 78 -5.466 0.843 -10.292 651 H ASP 79 H ASP 79 -10.854 -0.153 -8.843 652 HA ASP 79 HA ASP 79 -10.229 -1.195 -11.521 653 1HB ASP 79 2HB ASP 79 -12.270 -0.079 -12.257 654 2HB ASP 79 1HB ASP 79 -12.618 -1.134 -10.891 655 H VAL 80 H VAL 80 -9.118 1.097 -9.507 656 HA VAL 80 HA VAL 80 -9.174 3.439 -11.111 657 HB VAL 80 HB VAL 80 -7.149 2.782 -8.967 658 1HG1 VAL 80 1HG1 VAL 80 -6.571 4.713 -10.325 659 2HG1 VAL 80 2HG1 VAL 80 -7.032 5.218 -8.700 660 3HG1 VAL 80 3HG1 VAL 80 -8.162 5.415 -10.038 661 1HG2 VAL 80 1HG2 VAL 80 -8.654 3.911 -7.396 662 2HG2 VAL 80 2HG2 VAL 80 -9.392 2.462 -8.077 663 3HG2 VAL 80 3HG2 VAL 80 -9.871 4.053 -8.667 664 H HIS 81 H HIS 81 -8.327 3.375 -13.099 665 HA HIS 81 HA HIS 81 -6.263 1.662 -13.925 666 1HB HIS 81 2HB HIS 81 -6.255 2.969 -16.023 667 2HB HIS 81 1HB HIS 81 -7.871 2.504 -15.522 668 HD1 HIS 81 1HD HIS 81 -6.058 5.308 -16.797 669 HD2 HIS 81 2HD HIS 81 -9.196 4.822 -14.099 670 HE1 HIS 81 1HE HIS 81 -7.208 7.541 -16.673 671 HE2 HIS 81 2HE HIS 81 -8.987 7.269 -14.916 672 H ILE 82 H ILE 82 -4.151 1.752 -13.739 673 HA ILE 82 HA ILE 82 -2.882 4.229 -12.822 674 HB ILE 82 HB ILE 82 -1.613 1.497 -13.082 675 1HG1 ILE 82 2HG1 ILE 82 -2.867 2.776 -10.646 676 2HG1 ILE 82 1HG1 ILE 82 -3.502 1.386 -11.522 677 1HG2 ILE 82 1HG2 ILE 82 -0.804 3.968 -11.554 678 2HG2 ILE 82 2HG2 ILE 82 -0.018 3.323 -12.997 679 3HG2 ILE 82 3HG2 ILE 82 0.024 2.412 -11.485 680 1HD1 ILE 82 1HD1 ILE 82 -2.375 0.661 -9.523 681 2HD1 ILE 82 2HD1 ILE 82 -0.910 1.517 -10.004 682 3HD1 ILE 82 3HD1 ILE 82 -1.468 0.130 -10.940 683 H GLU 83 H GLU 83 -1.553 5.383 -14.087 684 HA GLU 83 HA GLU 83 -0.237 4.231 -16.375 685 1HB GLU 83 2HB GLU 83 -1.261 5.977 -17.924 686 2HB GLU 83 1HB GLU 83 -2.295 4.627 -17.472 687 1HG GLU 83 2HG GLU 83 -3.123 6.213 -15.600 688 2HG GLU 83 1HG GLU 83 -2.425 7.481 -16.609 689 H GLY 84 H GLY 84 0.545 5.465 -13.934 690 1HA GLY 84 2HA GLY 84 2.388 6.814 -13.426 691 2HA GLY 84 1HA GLY 84 2.207 7.611 -14.985 692 H TYR 85 H TYR 85 0.950 9.402 -15.166 693 HA TYR 85 HA TYR 85 -0.389 10.329 -12.714 694 1HB TYR 85 2HB TYR 85 1.207 11.894 -14.736 695 2HB TYR 85 1HB TYR 85 0.082 12.669 -13.626 696 HD1 TYR 85 1HD TYR 85 0.471 12.403 -11.143 697 HD2 TYR 85 2HD TYR 85 3.390 11.339 -14.047 698 HE1 TYR 85 1HE TYR 85 2.214 12.489 -9.413 699 HE2 TYR 85 2HE TYR 85 5.143 11.423 -12.325 700 HH TYR 85 HH TYR 85 5.483 12.574 -10.118 701 H THR 86 H THR 86 -2.461 9.915 -13.103 702 HA THR 86 HA THR 86 -3.557 10.712 -15.710 703 HB THR 86 HB THR 86 -3.723 8.263 -15.131 704 HG1 THR 86 1HG THR 86 -5.237 8.677 -16.566 705 1HG2 THR 86 1HG2 THR 86 -5.428 7.565 -13.514 706 2HG2 THR 86 2HG2 THR 86 -5.676 9.248 -13.048 707 3HG2 THR 86 3HG2 THR 86 -4.128 8.463 -12.732 708 HA PRO 87 HA PRO 87 -5.772 13.947 -13.632 709 1HB PRO 87 2HB PRO 87 -7.912 13.416 -15.621 710 2HB PRO 87 1HB PRO 87 -7.055 14.919 -15.260 711 1HG PRO 87 2HG PRO 87 -6.520 13.557 -17.481 712 2HG PRO 87 1HG PRO 87 -5.224 14.341 -16.561 713 1HD PRO 87 2HD PRO 87 -6.005 11.450 -16.650 714 2HD PRO 87 1HD PRO 87 -4.387 12.182 -16.625 715 H GLU 88 H GLU 88 -6.526 13.358 -11.694 716 HA GLU 88 HA GLU 88 -8.621 11.383 -11.409 717 1HB GLU 88 2HB GLU 88 -6.778 11.518 -9.778 718 2HB GLU 88 1HB GLU 88 -7.269 13.151 -9.356 719 1HG GLU 88 2HG GLU 88 -9.349 12.330 -8.452 720 2HG GLU 88 1HG GLU 88 -8.956 10.690 -8.969 721 H ASP 89 H ASP 89 -10.262 12.404 -12.591 722 HA ASP 89 HA ASP 89 -11.178 15.024 -11.661 723 1HB ASP 89 2HB ASP 89 -10.729 14.727 -14.072 724 2HB ASP 89 1HB ASP 89 -11.960 13.470 -14.137 725 H LYS 90 H LYS 90 -12.761 12.043 -12.822 726 HA LYS 90 HA LYS 90 -15.213 12.677 -11.539 727 1HB LYS 90 2HB LYS 90 -15.026 11.215 -13.551 728 2HB LYS 90 1HB LYS 90 -14.288 9.980 -12.538 729 1HG LYS 90 2HG LYS 90 -16.373 10.024 -11.137 730 2HG LYS 90 1HG LYS 90 -17.093 11.055 -12.372 731 1HD LYS 90 2HD LYS 90 -17.767 8.787 -12.779 732 2HD LYS 90 1HD LYS 90 -16.627 9.264 -14.040 733 1HE LYS 90 2HE LYS 90 -14.832 8.103 -12.888 734 2HE LYS 90 1HE LYS 90 -15.927 7.681 -11.572 735 1HZ LYS 90 1HZ LYS 90 -17.217 6.352 -13.091 736 2HZ LYS 90 2HZ LYS 90 -15.600 5.857 -13.132 737 3HZ LYS 90 3HZ LYS 90 -16.226 6.798 -14.387 738 H LYS 91 H LYS 91 -15.548 12.628 -9.445 739 HA LYS 91 HA LYS 91 -14.644 10.343 -7.886 740 1HB LYS 91 2HB LYS 91 -12.886 12.145 -7.709 741 2HB LYS 91 1HB LYS 91 -14.106 13.178 -6.983 742 1HG LYS 91 2HG LYS 91 -12.868 12.286 -5.193 743 2HG LYS 91 1HG LYS 91 -14.387 11.391 -5.218 744 1HD LYS 91 2HD LYS 91 -12.657 9.797 -4.884 745 2HD LYS 91 1HD LYS 91 -13.192 9.621 -6.555 746 1HE LYS 91 2HE LYS 91 -11.304 10.980 -7.305 747 2HE LYS 91 1HE LYS 91 -10.768 11.163 -5.637 748 1HZ LYS 91 1HZ LYS 91 -10.543 8.707 -5.566 749 2HZ LYS 91 2HZ LYS 91 -9.486 9.464 -6.651 750 3HZ LYS 91 3HZ LYS 91 -10.864 8.662 -7.227 Start of MODEL 16 1 1H MET 1 1HT MET 1 4.520 -20.326 12.092 2 2H MET 1 2HT MET 1 3.985 -20.813 13.619 3 3H MET 1 3HT MET 1 3.187 -19.567 12.804 4 HA MET 1 HA MET 1 3.340 -22.370 11.880 5 1HB MET 1 2HB MET 1 1.171 -20.851 13.314 6 2HB MET 1 1HB MET 1 0.830 -22.288 12.362 7 1HG MET 1 2HG MET 1 2.367 -23.569 13.792 8 2HG MET 1 1HG MET 1 2.624 -22.125 14.772 9 1HE MET 1 1HE MET 1 2.010 -23.718 16.809 10 2HE MET 1 2HE MET 1 1.529 -25.079 15.795 11 3HE MET 1 3HE MET 1 0.434 -24.473 17.040 12 H SER 2 H SER 2 1.308 -22.638 10.350 13 HA SER 2 HA SER 2 1.219 -20.306 8.565 14 1HB SER 2 2HB SER 2 1.413 -23.207 7.715 15 2HB SER 2 1HB SER 2 1.308 -21.817 6.638 16 HG SER 2 HG SER 2 3.311 -21.147 7.945 17 H ARG 3 H ARG 3 -0.844 -19.583 8.736 18 HA ARG 3 HA ARG 3 -3.030 -21.465 8.865 19 1HB ARG 3 2HB ARG 3 -4.504 -19.530 8.847 20 2HB ARG 3 1HB ARG 3 -3.215 -19.277 10.010 21 1HG ARG 3 2HG ARG 3 -2.057 -17.844 8.371 22 2HG ARG 3 1HG ARG 3 -3.412 -18.059 7.262 23 1HD ARG 3 2HD ARG 3 -3.529 -16.813 10.004 24 2HD ARG 3 1HD ARG 3 -3.592 -15.949 8.470 25 HE ARG 3 HE ARG 3 -5.661 -17.823 8.475 26 1HH1 ARG 3 1HH1 ARG 3 -4.733 -14.920 10.196 27 2HH1 ARG 3 2HH1 ARG 3 -6.363 -14.472 10.587 28 1HH2 ARG 3 1HH2 ARG 3 -7.807 -17.241 8.985 29 2HH2 ARG 3 2HH2 ARG 3 -8.116 -15.810 9.915 30 H THR 4 H THR 4 -3.785 -22.469 7.165 31 HA THR 4 HA THR 4 -2.670 -21.879 4.591 32 HB THR 4 HB THR 4 -4.744 -23.979 5.215 33 HG1 THR 4 1HG THR 4 -2.784 -24.028 6.587 34 1HG2 THR 4 1HG2 THR 4 -3.682 -25.148 3.327 35 2HG2 THR 4 2HG2 THR 4 -2.597 -23.777 3.099 36 3HG2 THR 4 3HG2 THR 4 -4.331 -23.582 2.841 37 H ILE 5 H ILE 5 -3.475 -20.318 3.420 38 HA ILE 5 HA ILE 5 -6.398 -20.089 3.185 39 HB ILE 5 HB ILE 5 -5.964 -17.621 2.704 40 1HG1 ILE 5 2HG1 ILE 5 -3.883 -16.807 4.057 41 2HG1 ILE 5 1HG1 ILE 5 -3.273 -18.433 3.784 42 1HG2 ILE 5 1HG2 ILE 5 -7.036 -18.371 4.736 43 2HG2 ILE 5 2HG2 ILE 5 -5.944 -17.031 5.091 44 3HG2 ILE 5 3HG2 ILE 5 -5.470 -18.686 5.480 45 1HD1 ILE 5 1HD1 ILE 5 -2.406 -16.861 2.148 46 2HD1 ILE 5 2HD1 ILE 5 -4.048 -16.461 1.647 47 3HD1 ILE 5 3HD1 ILE 5 -3.415 -18.083 1.373 48 H PHE 6 H PHE 6 -7.078 -19.053 1.116 49 HA PHE 6 HA PHE 6 -5.339 -19.954 -1.059 50 1HB PHE 6 2HB PHE 6 -8.278 -19.232 -1.074 51 2HB PHE 6 1HB PHE 6 -7.365 -19.745 -2.489 52 HD1 PHE 6 1HD PHE 6 -9.325 -20.805 0.275 53 HD2 PHE 6 2HD PHE 6 -6.222 -22.043 -2.363 54 HE1 PHE 6 1HE PHE 6 -9.789 -23.157 0.835 55 HE2 PHE 6 2HE PHE 6 -6.683 -24.394 -1.808 56 HZ PHE 6 HZ PHE 6 -8.467 -24.956 -0.208 57 H CYS 7 H CYS 7 -3.935 -18.384 -1.423 58 HA CYS 7 HA CYS 7 -4.462 -15.634 -1.028 59 1HB CYS 7 2HB CYS 7 -2.224 -15.329 -2.110 60 2HB CYS 7 1HB CYS 7 -2.228 -16.461 -0.759 61 HG CYS 7 HG CYS 7 -2.255 -18.747 -2.430 62 H THR 8 H THR 8 -4.808 -13.981 -2.453 63 HA THR 8 HA THR 8 -6.306 -14.605 -4.775 64 HB THR 8 HB THR 8 -5.178 -11.897 -4.065 65 HG1 THR 8 1HG THR 8 -7.015 -11.686 -2.713 66 1HG2 THR 8 1HG2 THR 8 -7.732 -12.762 -5.430 67 2HG2 THR 8 2HG2 THR 8 -6.323 -12.060 -6.223 68 3HG2 THR 8 3HG2 THR 8 -7.263 -11.097 -5.085 69 H TYR 9 H TYR 9 -2.953 -13.860 -4.232 70 HA TYR 9 HA TYR 9 -2.390 -13.015 -6.901 71 1HB TYR 9 2HB TYR 9 -1.020 -12.324 -4.958 72 2HB TYR 9 1HB TYR 9 -0.482 -13.987 -4.764 73 HD1 TYR 9 1HD TYR 9 -0.323 -11.034 -6.984 74 HD2 TYR 9 2HD TYR 9 1.282 -14.874 -6.101 75 HE1 TYR 9 1HE TYR 9 1.541 -10.610 -8.534 76 HE2 TYR 9 2HE TYR 9 3.145 -14.460 -7.645 77 HH TYR 9 HH TYR 9 3.556 -13.017 -9.677 78 H LEU 10 H LEU 10 -1.684 -16.041 -5.112 79 HA LEU 10 HA LEU 10 -0.791 -17.283 -7.589 80 1HB LEU 10 2HB LEU 10 -0.881 -18.352 -4.770 81 2HB LEU 10 1HB LEU 10 -0.203 -19.202 -6.145 82 HG LEU 10 HG LEU 10 0.833 -16.565 -5.102 83 1HD1 LEU 10 1HD1 LEU 10 1.170 -18.333 -3.460 84 2HD1 LEU 10 2HD1 LEU 10 2.700 -17.866 -4.204 85 3HD1 LEU 10 3HD1 LEU 10 1.897 -19.357 -4.700 86 1HD2 LEU 10 1HD2 LEU 10 1.290 -16.916 -7.466 87 2HD2 LEU 10 2HD2 LEU 10 1.941 -18.518 -7.118 88 3HD2 LEU 10 3HD2 LEU 10 2.771 -17.081 -6.522 89 H GLN 11 H GLN 11 -3.617 -17.120 -5.674 90 HA GLN 11 HA GLN 11 -5.701 -17.976 -5.931 91 1HB GLN 11 2HB GLN 11 -4.514 -18.984 -8.507 92 2HB GLN 11 1HB GLN 11 -6.171 -19.344 -8.045 93 1HG GLN 11 2HG GLN 11 -5.030 -16.580 -8.387 94 2HG GLN 11 1HG GLN 11 -5.986 -17.446 -9.589 95 1HE2 GLN 11 1HE2 GLN 11 -6.041 -15.726 -6.588 96 2HE2 GLN 11 2HE2 GLN 11 -7.761 -15.619 -6.446 97 H ARG 12 H ARG 12 -3.184 -19.639 -4.981 98 HA ARG 12 HA ARG 12 -4.726 -22.111 -4.616 99 1HB ARG 12 2HB ARG 12 -1.753 -22.000 -5.175 100 2HB ARG 12 1HB ARG 12 -2.697 -23.450 -4.853 101 1HG ARG 12 2HG ARG 12 -4.025 -22.967 -6.899 102 2HG ARG 12 1HG ARG 12 -2.923 -21.632 -7.243 103 1HD ARG 12 2HD ARG 12 -1.045 -23.266 -7.229 104 2HD ARG 12 1HD ARG 12 -2.233 -24.558 -7.052 105 HE ARG 12 HE ARG 12 -2.321 -22.728 -9.352 106 1HH1 ARG 12 1HH1 ARG 12 -2.107 -25.977 -8.056 107 2HH1 ARG 12 2HH1 ARG 12 -2.258 -26.736 -9.607 108 1HH2 ARG 12 1HH2 ARG 12 -2.519 -23.731 -11.389 109 2HH2 ARG 12 2HH2 ARG 12 -2.487 -25.464 -11.502 110 H ASP 13 H ASP 13 -3.030 -23.481 -2.971 111 HA ASP 13 HA ASP 13 -3.607 -22.242 -0.503 112 1HB ASP 13 2HB ASP 13 -2.606 -24.159 0.548 113 2HB ASP 13 1HB ASP 13 -3.507 -24.715 -0.855 114 H ALA 14 H ALA 14 -2.443 -21.098 0.865 115 HA ALA 14 HA ALA 14 0.432 -20.980 0.739 116 1HB ALA 14 1HB ALA 14 -1.174 -18.474 0.233 117 2HB ALA 14 2HB ALA 14 -0.213 -19.330 -0.972 118 3HB ALA 14 3HB ALA 14 0.577 -18.578 0.413 119 H GLU 15 H GLU 15 1.066 -19.080 2.433 120 HA GLU 15 HA GLU 15 -0.563 -19.705 4.798 121 1HB GLU 15 2HB GLU 15 1.400 -19.328 6.132 122 2HB GLU 15 1HB GLU 15 1.834 -20.407 4.816 123 1HG GLU 15 2HG GLU 15 2.848 -18.561 3.606 124 2HG GLU 15 1HG GLU 15 2.384 -17.455 4.897 125 H GLY 16 H GLY 16 -1.013 -18.057 6.311 126 1HA GLY 16 2HA GLY 16 -1.703 -15.543 5.281 127 2HA GLY 16 1HA GLY 16 -1.573 -15.939 6.991 128 H GLN 17 H GLN 17 -0.676 -13.653 5.102 129 HA GLN 17 HA GLN 17 2.117 -13.528 5.050 130 1HB GLN 17 2HB GLN 17 0.317 -12.020 3.929 131 2HB GLN 17 1HB GLN 17 0.391 -11.093 5.417 132 1HG GLN 17 2HG GLN 17 2.821 -11.680 3.754 133 2HG GLN 17 1HG GLN 17 1.794 -10.276 3.484 134 1HE2 GLN 17 1HE2 GLN 17 1.254 -9.837 6.294 135 2HE2 GLN 17 2HE2 GLN 17 2.705 -9.193 6.975 136 H ASP 18 H ASP 18 -0.204 -12.449 7.485 137 HA ASP 18 HA ASP 18 1.458 -12.940 9.673 138 1HB ASP 18 2HB ASP 18 2.502 -10.783 8.560 139 2HB ASP 18 1HB ASP 18 1.154 -9.970 9.352 140 H PHE 19 H PHE 19 0.466 -10.987 11.452 141 HA PHE 19 HA PHE 19 -2.419 -11.585 11.336 142 1HB PHE 19 2HB PHE 19 -0.535 -12.268 13.297 143 2HB PHE 19 1HB PHE 19 -1.438 -10.918 13.981 144 HD1 PHE 19 1HD PHE 19 -3.513 -11.289 14.966 145 HD2 PHE 19 2HD PHE 19 -1.901 -14.210 12.326 146 HE1 PHE 19 1HE PHE 19 -5.350 -12.821 15.547 147 HE2 PHE 19 2HE PHE 19 -3.730 -15.748 12.905 148 HZ PHE 19 HZ PHE 19 -5.458 -15.056 14.516 149 H GLN 20 H GLN 20 -3.358 -9.932 13.266 150 HA GLN 20 HA GLN 20 -3.188 -7.384 11.947 151 1HB GLN 20 2HB GLN 20 -4.779 -8.309 14.342 152 2HB GLN 20 1HB GLN 20 -4.913 -6.708 13.626 153 1HG GLN 20 2HG GLN 20 -5.467 -9.298 12.197 154 2HG GLN 20 1HG GLN 20 -6.686 -8.225 12.885 155 1HE2 GLN 20 1HE2 GLN 20 -7.138 -6.285 11.880 156 2HE2 GLN 20 2HE2 GLN 20 -6.602 -5.919 10.281 157 H LEU 21 H LEU 21 -1.169 -6.562 12.323 158 HA LEU 21 HA LEU 21 -0.190 -6.265 15.031 159 1HB LEU 21 2HB LEU 21 1.014 -4.888 12.652 160 2HB LEU 21 1HB LEU 21 1.799 -5.438 14.116 161 HG LEU 21 HG LEU 21 0.986 -7.803 13.069 162 1HD1 LEU 21 1HD1 LEU 21 1.507 -7.781 10.680 163 2HD1 LEU 21 2HD1 LEU 21 1.689 -6.028 10.737 164 3HD1 LEU 21 3HD1 LEU 21 0.115 -6.761 11.045 165 1HD2 LEU 21 1HD2 LEU 21 3.548 -6.333 12.476 166 2HD2 LEU 21 2HD2 LEU 21 3.306 -8.075 12.347 167 3HD2 LEU 21 3HD2 LEU 21 3.205 -7.284 13.921 168 H TYR 22 H TYR 22 -1.054 -4.063 12.374 169 HA TYR 22 HA TYR 22 -1.849 -2.071 14.361 170 1HB TYR 22 2HB TYR 22 -0.062 -1.527 11.987 171 2HB TYR 22 1HB TYR 22 -0.815 -0.276 12.963 172 HD1 TYR 22 1HD TYR 22 1.883 -2.693 12.742 173 HD2 TYR 22 2HD TYR 22 -0.121 0.037 15.315 174 HE1 TYR 22 1HE TYR 22 3.793 -2.761 14.288 175 HE2 TYR 22 2HE TYR 22 1.782 -0.023 16.867 176 HH TYR 22 HH TYR 22 4.781 -1.563 16.048 177 HA PRO 23 HA PRO 23 -4.129 -1.057 10.192 178 1HB PRO 23 2HB PRO 23 -3.887 -3.563 8.660 179 2HB PRO 23 1HB PRO 23 -3.689 -1.895 8.119 180 1HG PRO 23 2HG PRO 23 -1.585 -3.527 8.370 181 2HG PRO 23 1HG PRO 23 -1.472 -1.804 8.782 182 1HD PRO 23 2HD PRO 23 -1.804 -4.168 10.600 183 2HD PRO 23 1HD PRO 23 -0.739 -2.758 10.772 184 H GLY 24 H GLY 24 -6.285 -1.737 9.435 185 1HA GLY 24 2HA GLY 24 -7.425 -3.696 11.323 186 2HA GLY 24 1HA GLY 24 -8.262 -2.264 10.748 187 H GLU 25 H GLU 25 -9.528 -2.415 9.011 188 HA GLU 25 HA GLU 25 -10.370 -4.952 8.181 189 1HB GLU 25 2HB GLU 25 -11.797 -3.740 6.584 190 2HB GLU 25 1HB GLU 25 -11.856 -3.034 8.193 191 1HG GLU 25 2HG GLU 25 -10.253 -1.310 7.449 192 2HG GLU 25 1HG GLU 25 -10.323 -1.992 5.826 193 H LEU 26 H LEU 26 -8.325 -2.561 6.552 194 HA LEU 26 HA LEU 26 -8.067 -4.078 4.155 195 1HB LEU 26 2HB LEU 26 -7.673 -1.641 4.246 196 2HB LEU 26 1HB LEU 26 -6.271 -1.914 5.262 197 HG LEU 26 HG LEU 26 -5.202 -3.161 3.408 198 1HD1 LEU 26 1HD1 LEU 26 -6.174 -2.941 1.148 199 2HD1 LEU 26 2HD1 LEU 26 -7.641 -2.284 1.873 200 3HD1 LEU 26 3HD1 LEU 26 -7.149 -3.939 2.229 201 1HD2 LEU 26 1HD2 LEU 26 -4.742 -0.784 3.748 202 2HD2 LEU 26 2HD2 LEU 26 -6.096 -0.372 2.696 203 3HD2 LEU 26 3HD2 LEU 26 -4.692 -1.212 2.038 204 H GLY 27 H GLY 27 -6.387 -3.909 7.196 205 1HA GLY 27 2HA GLY 27 -4.028 -5.259 6.529 206 2HA GLY 27 1HA GLY 27 -4.757 -5.215 8.126 207 H LYS 28 H LYS 28 -6.949 -6.589 8.063 208 HA LYS 28 HA LYS 28 -6.058 -9.238 8.004 209 1HB LYS 28 2HB LYS 28 -8.403 -9.872 8.439 210 2HB LYS 28 1HB LYS 28 -7.865 -8.565 9.483 211 1HG LYS 28 2HG LYS 28 -9.064 -6.951 8.157 212 2HG LYS 28 1HG LYS 28 -9.499 -8.192 6.981 213 1HD LYS 28 2HD LYS 28 -10.775 -9.370 8.718 214 2HD LYS 28 1HD LYS 28 -10.362 -8.099 9.871 215 1HE LYS 28 2HE LYS 28 -11.529 -6.460 8.498 216 2HE LYS 28 1HE LYS 28 -11.903 -7.703 7.308 217 1HZ LYS 28 1HZ LYS 28 -13.755 -7.212 8.826 218 2HZ LYS 28 2HZ LYS 28 -12.821 -7.754 10.129 219 3HZ LYS 28 3HZ LYS 28 -13.264 -8.826 8.900 220 H ARG 29 H ARG 29 -7.910 -7.357 5.686 221 HA ARG 29 HA ARG 29 -8.711 -9.381 3.953 222 1HB ARG 29 2HB ARG 29 -9.455 -7.028 3.789 223 2HB ARG 29 1HB ARG 29 -7.852 -6.569 3.234 224 1HG ARG 29 2HG ARG 29 -8.152 -8.005 1.254 225 2HG ARG 29 1HG ARG 29 -9.781 -8.394 1.809 226 1HD ARG 29 2HD ARG 29 -10.370 -6.012 1.693 227 2HD ARG 29 1HD ARG 29 -8.750 -5.647 1.100 228 HE ARG 29 HE ARG 29 -9.784 -7.560 -0.600 229 1HH1 ARG 29 1HH1 ARG 29 -10.631 -4.296 0.360 230 2HH1 ARG 29 2HH1 ARG 29 -11.397 -3.916 -1.147 231 1HH2 ARG 29 1HH2 ARG 29 -10.793 -7.065 -2.573 232 2HH2 ARG 29 2HH2 ARG 29 -11.480 -5.491 -2.824 233 H ILE 30 H ILE 30 -5.717 -7.465 3.949 234 HA ILE 30 HA ILE 30 -4.637 -8.834 1.690 235 HB ILE 30 HB ILE 30 -3.245 -7.110 3.742 236 1HG1 ILE 30 2HG1 ILE 30 -4.215 -6.421 0.963 237 2HG1 ILE 30 1HG1 ILE 30 -5.071 -6.004 2.444 238 1HG2 ILE 30 1HG2 ILE 30 -2.333 -8.090 1.042 239 2HG2 ILE 30 2HG2 ILE 30 -1.656 -8.534 2.609 240 3HG2 ILE 30 3HG2 ILE 30 -1.496 -6.883 2.013 241 1HD1 ILE 30 1HD1 ILE 30 -3.195 -4.636 3.153 242 2HD1 ILE 30 2HD1 ILE 30 -3.801 -4.123 1.578 243 3HD1 ILE 30 3HD1 ILE 30 -2.315 -5.068 1.687 244 H TYR 31 H TYR 31 -4.120 -9.062 5.198 245 HA TYR 31 HA TYR 31 -1.897 -10.774 5.028 246 1HB TYR 31 2HB TYR 31 -3.834 -10.309 7.291 247 2HB TYR 31 1HB TYR 31 -2.361 -11.256 7.444 248 HD1 TYR 31 1HD TYR 31 -0.706 -9.386 5.576 249 HD2 TYR 31 2HD TYR 31 -3.209 -8.674 8.943 250 HE1 TYR 31 1HE TYR 31 0.565 -7.348 6.081 251 HE2 TYR 31 2HE TYR 31 -1.940 -6.630 9.454 252 HH TYR 31 HH TYR 31 0.320 -5.704 9.018 253 H ASN 32 H ASN 32 -5.321 -11.506 4.880 254 HA ASN 32 HA ASN 32 -4.635 -14.355 5.096 255 1HB ASN 32 2HB ASN 32 -6.785 -14.853 5.766 256 2HB ASN 32 1HB ASN 32 -6.555 -13.263 6.470 257 1HD2 ASN 32 1HD2 ASN 32 -6.978 -11.769 4.045 258 2HD2 ASN 32 2HD2 ASN 32 -8.653 -11.905 3.667 259 H GLU 33 H GLU 33 -4.865 -12.144 2.711 260 HA GLU 33 HA GLU 33 -5.751 -14.192 0.787 261 1HB GLU 33 2HB GLU 33 -6.125 -11.201 0.704 262 2HB GLU 33 1HB GLU 33 -6.270 -12.199 -0.737 263 1HG GLU 33 2HG GLU 33 -8.084 -13.448 0.281 264 2HG GLU 33 1HG GLU 33 -7.912 -12.517 1.767 265 H ILE 34 H ILE 34 -3.137 -12.589 1.957 266 HA ILE 34 HA ILE 34 -1.658 -12.974 -0.546 267 HB ILE 34 HB ILE 34 -1.701 -10.595 1.250 268 1HG1 ILE 34 2HG1 ILE 34 -2.880 -10.575 -0.898 269 2HG1 ILE 34 1HG1 ILE 34 -1.559 -9.409 -0.889 270 1HG2 ILE 34 1HG2 ILE 34 0.729 -11.393 -0.344 271 2HG2 ILE 34 2HG2 ILE 34 0.622 -11.301 1.414 272 3HG2 ILE 34 3HG2 ILE 34 0.479 -9.836 0.442 273 1HD1 ILE 34 1HD1 ILE 34 -1.619 -12.094 -2.241 274 2HD1 ILE 34 2HD1 ILE 34 -0.167 -11.111 -2.079 275 3HD1 ILE 34 3HD1 ILE 34 -1.547 -10.504 -2.998 276 H SER 35 H SER 35 0.253 -13.955 -0.404 277 HA SER 35 HA SER 35 0.899 -15.198 2.147 278 1HB SER 35 2HB SER 35 0.609 -16.648 0.193 279 2HB SER 35 1HB SER 35 1.869 -15.761 -0.667 280 HG SER 35 HG SER 35 3.138 -17.204 0.162 281 H LYS 36 H LYS 36 3.255 -15.576 2.506 282 HA LYS 36 HA LYS 36 4.645 -13.244 3.044 283 1HB LYS 36 2HB LYS 36 5.775 -16.009 2.565 284 2HB LYS 36 1HB LYS 36 6.618 -14.696 3.367 285 1HG LYS 36 2HG LYS 36 4.036 -15.845 4.380 286 2HG LYS 36 1HG LYS 36 5.624 -16.446 4.863 287 1HD LYS 36 2HD LYS 36 6.179 -14.133 5.619 288 2HD LYS 36 1HD LYS 36 4.508 -13.677 5.283 289 1HE LYS 36 2HE LYS 36 4.843 -14.199 7.651 290 2HE LYS 36 1HE LYS 36 3.711 -15.316 6.888 291 1HZ LYS 36 1HZ LYS 36 5.399 -16.350 8.385 292 2HZ LYS 36 2HZ LYS 36 6.586 -15.935 7.251 293 3HZ LYS 36 3HZ LYS 36 5.338 -17.002 6.825 294 H ASP 37 H ASP 37 4.912 -15.431 0.293 295 HA ASP 37 HA ASP 37 7.166 -14.179 -0.880 296 1HB ASP 37 2HB ASP 37 6.464 -15.516 -2.920 297 2HB ASP 37 1HB ASP 37 6.770 -16.442 -1.454 298 H ALA 38 H ALA 38 3.697 -14.014 -1.639 299 HA ALA 38 HA ALA 38 3.880 -12.258 -3.799 300 1HB ALA 38 1HB ALA 38 1.616 -12.499 -1.824 301 2HB ALA 38 2HB ALA 38 1.860 -13.539 -3.226 302 3HB ALA 38 3HB ALA 38 1.518 -11.823 -3.450 303 H TRP 39 H TRP 39 3.557 -11.602 -0.330 304 HA TRP 39 HA TRP 39 3.384 -8.783 -0.553 305 1HB TRP 39 2HB TRP 39 2.717 -9.989 1.486 306 2HB TRP 39 1HB TRP 39 4.386 -10.480 1.749 307 HD1 TRP 39 HD TRP 39 6.063 -8.669 2.728 308 HE1 TRP 39 1HE TRP 39 5.694 -6.403 3.889 309 HE3 TRP 39 3HE TRP 39 1.160 -7.915 1.487 310 HZ2 TRP 39 2HZ TRP 39 3.603 -4.551 4.247 311 HZ3 TRP 39 3HZ TRP 39 0.054 -5.862 2.279 312 HH2 TRP 39 HH TRP 39 1.246 -4.221 3.628 313 H ALA 40 H ALA 40 6.083 -11.020 -0.095 314 HA ALA 40 HA ALA 40 8.136 -9.147 0.258 315 1HB ALA 40 1HB ALA 40 9.654 -10.945 -0.460 316 2HB ALA 40 2HB ALA 40 8.265 -11.888 -0.997 317 3HB ALA 40 3HB ALA 40 8.464 -11.507 0.713 318 H GLN 41 H GLN 41 6.912 -10.691 -2.694 319 HA GLN 41 HA GLN 41 8.642 -9.508 -4.537 320 1HB GLN 41 2HB GLN 41 5.736 -10.262 -4.881 321 2HB GLN 41 1HB GLN 41 6.834 -9.885 -6.199 322 1HG GLN 41 2HG GLN 41 8.199 -11.807 -5.656 323 2HG GLN 41 1HG GLN 41 7.175 -12.159 -4.262 324 1HE2 GLN 41 1HE2 GLN 41 5.903 -11.007 -7.290 325 2HE2 GLN 41 2HE2 GLN 41 5.102 -12.470 -7.742 326 H TRP 42 H TRP 42 5.544 -8.378 -3.258 327 HA TRP 42 HA TRP 42 5.298 -6.128 -4.913 328 1HB TRP 42 2HB TRP 42 3.356 -6.944 -3.789 329 2HB TRP 42 1HB TRP 42 4.117 -6.771 -2.212 330 HD1 TRP 42 HD TRP 42 2.617 -5.044 -1.058 331 HE1 TRP 42 1HE TRP 42 1.894 -2.628 -1.553 332 HE3 TRP 42 3HE TRP 42 4.439 -4.593 -5.820 333 HZ2 TRP 42 2HZ TRP 42 2.064 -0.780 -3.672 334 HZ3 TRP 42 3HZ TRP 42 4.116 -2.467 -7.007 335 HH2 TRP 42 HH TRP 42 2.954 -0.599 -5.952 336 H GLN 43 H GLN 43 6.346 -6.241 -1.479 337 HA GLN 43 HA GLN 43 6.956 -3.480 -1.426 338 1HB GLN 43 2HB GLN 43 7.813 -5.734 0.374 339 2HB GLN 43 1HB GLN 43 8.229 -4.050 0.671 340 1HG GLN 43 2HG GLN 43 5.535 -3.892 0.297 341 2HG GLN 43 1HG GLN 43 5.703 -5.468 1.076 342 1HE2 GLN 43 1HE2 GLN 43 6.104 -2.044 1.406 343 2HE2 GLN 43 2HE2 GLN 43 6.362 -2.030 3.114 344 H HIS 44 H HIS 44 8.845 -6.287 -2.323 345 HA HIS 44 HA HIS 44 11.388 -5.034 -2.271 346 1HB HIS 44 2HB HIS 44 10.860 -7.538 -2.455 347 2HB HIS 44 1HB HIS 44 10.592 -7.237 -4.169 348 HD1 HIS 44 1HD HIS 44 12.589 -7.477 -5.604 349 HD2 HIS 44 2HD HIS 44 13.596 -6.726 -1.647 350 HE1 HIS 44 1HE HIS 44 15.090 -7.666 -5.500 351 HE2 HIS 44 2HE HIS 44 15.655 -7.384 -3.062 352 H LYS 45 H LYS 45 9.042 -5.593 -4.877 353 HA LYS 45 HA LYS 45 10.384 -4.188 -6.907 354 1HB LYS 45 2HB LYS 45 8.551 -5.666 -7.435 355 2HB LYS 45 1HB LYS 45 7.446 -4.728 -6.444 356 1HG LYS 45 2HG LYS 45 6.985 -4.232 -8.725 357 2HG LYS 45 1HG LYS 45 7.762 -2.822 -8.006 358 1HD LYS 45 2HD LYS 45 8.705 -3.172 -10.180 359 2HD LYS 45 1HD LYS 45 9.922 -3.597 -8.976 360 1HE LYS 45 2HE LYS 45 9.492 -5.943 -9.293 361 2HE LYS 45 1HE LYS 45 8.125 -5.590 -10.349 362 1HZ LYS 45 1HZ LYS 45 10.097 -6.203 -11.606 363 2HZ LYS 45 2HZ LYS 45 10.958 -4.915 -10.926 364 3HZ LYS 45 3HZ LYS 45 9.638 -4.609 -11.940 365 H GLN 46 H GLN 46 7.966 -3.176 -4.541 366 HA GLN 46 HA GLN 46 7.614 -0.533 -5.347 367 1HB GLN 46 2HB GLN 46 6.130 -1.569 -3.756 368 2HB GLN 46 1HB GLN 46 7.441 -1.796 -2.610 369 1HG GLN 46 2HG GLN 46 7.594 0.559 -2.227 370 2HG GLN 46 1HG GLN 46 6.437 0.888 -3.515 371 1HE2 GLN 46 1HE2 GLN 46 4.282 0.515 -3.175 372 2HE2 GLN 46 2HE2 GLN 46 3.616 0.265 -1.602 373 H THR 47 H THR 47 9.887 -1.854 -2.943 374 HA THR 47 HA THR 47 11.123 0.487 -2.147 375 HB THR 47 HB THR 47 12.376 -2.242 -2.527 376 HG1 THR 47 1HG THR 47 10.905 -2.537 -0.971 377 1HG2 THR 47 1HG2 THR 47 14.096 -0.504 -2.358 378 2HG2 THR 47 2HG2 THR 47 14.061 -1.502 -0.904 379 3HG2 THR 47 3HG2 THR 47 13.340 0.107 -0.887 380 H MET 48 H MET 48 11.881 -1.566 -4.938 381 HA MET 48 HA MET 48 14.135 -0.122 -5.808 382 1HB MET 48 2HB MET 48 13.715 -2.375 -6.609 383 2HB MET 48 1HB MET 48 12.217 -1.859 -7.371 384 1HG MET 48 2HG MET 48 14.054 -2.162 -8.975 385 2HG MET 48 1HG MET 48 13.418 -0.519 -8.962 386 1HE MET 48 1HE MET 48 15.848 -2.223 -6.371 387 2HE MET 48 2HE MET 48 17.421 -1.751 -7.014 388 3HE MET 48 3HE MET 48 16.396 -2.864 -7.919 389 H LEU 49 H LEU 49 10.727 0.058 -6.838 390 HA LEU 49 HA LEU 49 11.172 2.048 -8.793 391 1HB LEU 49 2HB LEU 49 8.795 0.889 -7.450 392 2HB LEU 49 1HB LEU 49 8.588 2.419 -8.280 393 HG LEU 49 HG LEU 49 9.353 1.414 -10.374 394 1HD1 LEU 49 1HD1 LEU 49 9.576 -1.128 -8.778 395 2HD1 LEU 49 2HD1 LEU 49 10.902 -0.228 -9.515 396 3HD1 LEU 49 3HD1 LEU 49 9.693 -1.008 -10.533 397 1HD2 LEU 49 1HD2 LEU 49 6.975 1.351 -9.832 398 2HD2 LEU 49 2HD2 LEU 49 7.196 -0.204 -9.029 399 3HD2 LEU 49 3HD2 LEU 49 7.459 -0.065 -10.767 400 H ILE 50 H ILE 50 10.336 2.248 -5.378 401 HA ILE 50 HA ILE 50 9.712 5.001 -5.346 402 HB ILE 50 HB ILE 50 10.263 2.940 -3.298 403 1HG1 ILE 50 2HG1 ILE 50 8.224 3.872 -2.313 404 2HG1 ILE 50 1HG1 ILE 50 8.252 5.194 -3.471 405 1HG2 ILE 50 1HG2 ILE 50 10.394 4.585 -1.460 406 2HG2 ILE 50 2HG2 ILE 50 10.586 5.868 -2.654 407 3HG2 ILE 50 3HG2 ILE 50 11.816 4.614 -2.507 408 1HD1 ILE 50 1HD1 ILE 50 7.888 3.612 -5.286 409 2HD1 ILE 50 2HD1 ILE 50 6.614 3.508 -4.070 410 3HD1 ILE 50 3HD1 ILE 50 7.881 2.283 -4.128 411 H ASN 51 H ASN 51 12.761 3.274 -5.067 412 HA ASN 51 HA ASN 51 14.210 5.716 -4.453 413 1HB ASN 51 2HB ASN 51 15.050 2.845 -4.806 414 2HB ASN 51 1HB ASN 51 16.235 4.144 -4.709 415 1HD2 ASN 51 1HD2 ASN 51 13.840 2.308 -2.986 416 2HD2 ASN 51 2HD2 ASN 51 14.275 2.858 -1.402 417 H GLU 52 H GLU 52 13.357 3.823 -7.191 418 HA GLU 52 HA GLU 52 15.347 4.856 -8.973 419 1HB GLU 52 2HB GLU 52 14.258 2.696 -9.365 420 2HB GLU 52 1HB GLU 52 12.704 3.497 -9.516 421 1HG GLU 52 2HG GLU 52 13.570 4.706 -11.485 422 2HG GLU 52 1HG GLU 52 15.058 3.768 -11.362 423 H LYS 53 H LYS 53 11.848 5.394 -8.628 424 HA LYS 53 HA LYS 53 11.915 7.569 -10.529 425 1HB LYS 53 2HB LYS 53 9.630 6.548 -8.836 426 2HB LYS 53 1HB LYS 53 9.497 7.640 -10.207 427 1HG LYS 53 2HG LYS 53 10.224 5.909 -11.714 428 2HG LYS 53 1HG LYS 53 10.516 4.810 -10.360 429 1HD LYS 53 2HD LYS 53 8.113 4.933 -9.795 430 2HD LYS 53 1HD LYS 53 7.851 5.953 -11.211 431 1HE LYS 53 2HE LYS 53 8.956 3.146 -11.277 432 2HE LYS 53 1HE LYS 53 7.277 3.575 -11.597 433 1HZ LYS 53 1HZ LYS 53 7.976 4.861 -13.493 434 2HZ LYS 53 2HZ LYS 53 8.584 3.290 -13.630 435 3HZ LYS 53 3HZ LYS 53 9.604 4.553 -13.159 436 H LYS 54 H LYS 54 12.533 7.272 -7.285 437 HA LYS 54 HA LYS 54 12.817 8.717 -5.562 438 1HB LYS 54 2HB LYS 54 12.618 10.819 -7.725 439 2HB LYS 54 1HB LYS 54 13.212 11.090 -6.093 440 1HG LYS 54 2HG LYS 54 15.119 9.734 -6.463 441 2HG LYS 54 1HG LYS 54 14.471 9.126 -7.989 442 1HD LYS 54 2HD LYS 54 15.188 12.007 -7.457 443 2HD LYS 54 1HD LYS 54 16.242 10.847 -8.268 444 1HE LYS 54 2HE LYS 54 14.569 10.541 -10.020 445 2HE LYS 54 1HE LYS 54 13.494 11.670 -9.199 446 1HZ LYS 54 1HZ LYS 54 14.686 12.711 -11.025 447 2HZ LYS 54 2HZ LYS 54 16.165 12.339 -10.294 448 3HZ LYS 54 3HZ LYS 54 15.103 13.417 -9.545 449 H LEU 55 H LEU 55 10.597 7.854 -5.096 450 HA LEU 55 HA LEU 55 8.530 9.932 -5.269 451 1HB LEU 55 2HB LEU 55 8.205 7.030 -4.497 452 2HB LEU 55 1HB LEU 55 6.921 8.182 -4.803 453 HG LEU 55 HG LEU 55 8.840 7.049 -6.835 454 1HD1 LEU 55 1HD1 LEU 55 6.842 6.029 -7.784 455 2HD1 LEU 55 2HD1 LEU 55 5.863 6.724 -6.492 456 3HD1 LEU 55 3HD1 LEU 55 7.086 5.510 -6.117 457 1HD2 LEU 55 1HD2 LEU 55 6.627 9.070 -7.186 458 2HD2 LEU 55 2HD2 LEU 55 7.524 8.298 -8.492 459 3HD2 LEU 55 3HD2 LEU 55 8.355 9.371 -7.367 460 H ASN 56 H ASN 56 7.991 11.039 -3.501 461 HA ASN 56 HA ASN 56 8.908 10.005 -0.910 462 1HB ASN 56 2HB ASN 56 8.388 12.823 -1.847 463 2HB ASN 56 1HB ASN 56 8.625 12.412 -0.150 464 1HD2 ASN 56 1HD2 ASN 56 10.657 11.600 0.504 465 2HD2 ASN 56 2HD2 ASN 56 12.083 11.901 -0.431 466 H MET 57 H MET 57 7.525 9.764 0.757 467 HA MET 57 HA MET 57 4.707 9.723 0.113 468 1HB MET 57 2HB MET 57 6.292 8.822 2.511 469 2HB MET 57 1HB MET 57 4.534 8.801 2.490 470 1HG MET 57 2HG MET 57 5.340 6.621 1.957 471 2HG MET 57 1HG MET 57 4.616 7.319 0.513 472 1HE MET 57 1HE MET 57 6.278 4.798 0.172 473 2HE MET 57 2HE MET 57 7.378 5.220 -1.141 474 3HE MET 57 3HE MET 57 5.693 5.736 -1.201 475 H MET 58 H MET 58 6.575 12.148 0.821 476 HA MET 58 HA MET 58 5.215 13.472 2.945 477 1HB MET 58 2HB MET 58 6.841 14.645 0.678 478 2HB MET 58 1HB MET 58 6.377 15.485 2.151 479 1HG MET 58 2HG MET 58 7.734 13.971 3.470 480 2HG MET 58 1HG MET 58 8.152 13.058 2.023 481 1HE MET 58 1HE MET 58 10.354 14.065 3.977 482 2HE MET 58 2HE MET 58 11.542 14.761 2.874 483 3HE MET 58 3HE MET 58 10.728 13.251 2.458 484 H ASN 59 H ASN 59 4.739 13.104 -0.469 485 HA ASN 59 HA ASN 59 2.504 15.002 -0.435 486 1HB ASN 59 2HB ASN 59 3.805 13.583 -2.779 487 2HB ASN 59 1HB ASN 59 2.518 14.778 -2.888 488 1HD2 ASN 59 1HD2 ASN 59 2.979 16.937 -2.460 489 2HD2 ASN 59 2HD2 ASN 59 4.599 17.540 -2.500 490 H ALA 60 H ALA 60 0.484 14.282 -0.325 491 HA ALA 60 HA ALA 60 -0.131 11.556 0.042 492 1HB ALA 60 1HB ALA 60 -1.440 13.382 1.016 493 2HB ALA 60 2HB ALA 60 -2.451 12.273 0.089 494 3HB ALA 60 3HB ALA 60 -1.997 13.835 -0.594 495 H GLU 61 H GLU 61 0.183 13.494 -2.754 496 HA GLU 61 HA GLU 61 -1.429 12.267 -4.631 497 1HB GLU 61 2HB GLU 61 1.421 13.160 -5.084 498 2HB GLU 61 1HB GLU 61 0.158 13.016 -6.298 499 1HG GLU 61 2HG GLU 61 -1.078 14.827 -5.270 500 2HG GLU 61 1HG GLU 61 0.125 14.941 -3.983 501 H HIS 62 H HIS 62 1.905 11.385 -3.725 502 HA HIS 62 HA HIS 62 1.816 9.035 -5.390 503 1HB HIS 62 2HB HIS 62 3.931 10.008 -3.457 504 2HB HIS 62 1HB HIS 62 4.105 8.608 -4.512 505 HD1 HIS 62 1HD HIS 62 4.186 9.128 -7.131 506 HD2 HIS 62 2HD HIS 62 4.462 12.440 -4.624 507 HE1 HIS 62 1HE HIS 62 5.014 11.008 -8.580 508 HE2 HIS 62 2HE HIS 62 5.289 12.971 -7.022 509 H ARG 63 H ARG 63 1.023 9.838 -2.181 510 HA ARG 63 HA ARG 63 1.389 7.337 -0.931 511 1HB ARG 63 2HB ARG 63 1.029 9.271 0.439 512 2HB ARG 63 1HB ARG 63 -0.495 9.624 -0.361 513 1HG ARG 63 2HG ARG 63 -0.862 8.702 1.853 514 2HG ARG 63 1HG ARG 63 -1.483 7.618 0.609 515 1HD ARG 63 2HD ARG 63 0.527 6.235 0.817 516 2HD ARG 63 1HD ARG 63 1.151 7.324 2.056 517 HE ARG 63 HE ARG 63 -1.251 6.594 3.053 518 1HH1 ARG 63 1HH1 ARG 63 1.483 4.768 1.858 519 2HH1 ARG 63 2HH1 ARG 63 1.164 3.388 2.853 520 1HH2 ARG 63 1HH2 ARG 63 -1.665 4.809 4.391 521 2HH2 ARG 63 2HH2 ARG 63 -0.628 3.419 4.321 522 H LYS 64 H LYS 64 -1.561 8.810 -2.356 523 HA LYS 64 HA LYS 64 -2.986 6.342 -2.108 524 1HB LYS 64 2HB LYS 64 -4.799 7.401 -3.297 525 2HB LYS 64 1HB LYS 64 -4.169 8.502 -2.084 526 1HG LYS 64 2HG LYS 64 -3.107 9.842 -3.740 527 2HG LYS 64 1HG LYS 64 -3.419 8.640 -4.996 528 1HD LYS 64 2HD LYS 64 -5.835 8.994 -4.721 529 2HD LYS 64 1HD LYS 64 -5.513 10.207 -3.483 530 1HE LYS 64 2HE LYS 64 -4.585 10.377 -6.345 531 2HE LYS 64 1HE LYS 64 -6.023 11.170 -5.707 532 1HZ LYS 64 1HZ LYS 64 -4.257 12.733 -5.736 533 2HZ LYS 64 2HZ LYS 64 -3.209 11.682 -4.935 534 3HZ LYS 64 3HZ LYS 64 -4.539 12.335 -4.118 535 H LEU 65 H LEU 65 -0.906 7.744 -4.478 536 HA LEU 65 HA LEU 65 -1.667 6.257 -6.733 537 1HB LEU 65 2HB LEU 65 0.029 8.202 -6.491 538 2HB LEU 65 1HB LEU 65 1.188 6.953 -6.092 539 HG LEU 65 HG LEU 65 1.288 7.709 -8.455 540 1HD1 LEU 65 1HD1 LEU 65 0.516 4.820 -8.096 541 2HD1 LEU 65 2HD1 LEU 65 2.125 5.506 -7.870 542 3HD1 LEU 65 3HD1 LEU 65 1.387 5.493 -9.472 543 1HD2 LEU 65 1HD2 LEU 65 -1.425 6.419 -8.674 544 2HD2 LEU 65 2HD2 LEU 65 -0.452 7.019 -10.016 545 3HD2 LEU 65 3HD2 LEU 65 -1.078 8.142 -8.807 546 H LEU 66 H LEU 66 0.712 5.543 -4.170 547 HA LEU 66 HA LEU 66 1.305 2.965 -5.248 548 1HB LEU 66 2HB LEU 66 2.761 2.661 -3.435 549 2HB LEU 66 1HB LEU 66 2.848 4.367 -3.819 550 HG LEU 66 HG LEU 66 0.963 4.432 -1.895 551 1HD1 LEU 66 1HD1 LEU 66 2.797 2.156 -1.135 552 2HD1 LEU 66 2HD1 LEU 66 1.073 2.026 -1.483 553 3HD1 LEU 66 3HD1 LEU 66 1.619 2.939 -0.078 554 1HD2 LEU 66 1HD2 LEU 66 3.952 4.426 -1.485 555 2HD2 LEU 66 2HD2 LEU 66 2.768 5.103 -0.368 556 3HD2 LEU 66 3HD2 LEU 66 2.966 5.804 -1.974 557 H GLU 67 H GLU 67 -1.120 4.219 -3.133 558 HA GLU 67 HA GLU 67 -1.921 1.788 -1.919 559 1HB GLU 67 2HB GLU 67 -2.700 4.027 -1.169 560 2HB GLU 67 1HB GLU 67 -3.632 4.180 -2.652 561 1HG GLU 67 2HG GLU 67 -4.955 2.214 -2.004 562 2HG GLU 67 1HG GLU 67 -4.038 2.110 -0.503 563 H GLN 68 H GLN 68 -2.940 3.479 -4.856 564 HA GLN 68 HA GLN 68 -4.746 1.619 -5.876 565 1HB GLN 68 2HB GLN 68 -2.781 3.371 -7.374 566 2HB GLN 68 1HB GLN 68 -4.158 2.550 -8.091 567 1HG GLN 68 2HG GLN 68 -5.696 3.891 -6.869 568 2HG GLN 68 1HG GLN 68 -4.400 4.590 -5.895 569 1HE2 GLN 68 1HE2 GLN 68 -5.958 4.572 -9.006 570 2HE2 GLN 68 2HE2 GLN 68 -5.232 6.020 -9.607 571 H GLU 69 H GLU 69 -1.238 1.857 -6.381 572 HA GLU 69 HA GLU 69 -0.896 -0.388 -8.008 573 1HB GLU 69 2HB GLU 69 1.000 0.794 -5.975 574 2HB GLU 69 1HB GLU 69 1.451 -0.339 -7.241 575 1HG GLU 69 2HG GLU 69 0.226 2.348 -7.798 576 2HG GLU 69 1HG GLU 69 1.964 2.079 -7.681 577 H MET 70 H MET 70 -0.876 -0.069 -4.495 578 HA MET 70 HA MET 70 0.003 -2.637 -3.827 579 1HB MET 70 2HB MET 70 -0.152 -0.795 -2.206 580 2HB MET 70 1HB MET 70 -1.904 -0.848 -2.304 581 1HG MET 70 2HG MET 70 -1.887 -3.112 -1.379 582 2HG MET 70 1HG MET 70 -0.128 -3.050 -1.272 583 1HE MET 70 1HE MET 70 0.337 0.006 -0.320 584 2HE MET 70 2HE MET 70 1.199 -1.399 0.303 585 3HE MET 70 3HE MET 70 0.439 -0.266 1.419 586 H VAL 71 H VAL 71 -3.311 -1.392 -4.139 587 HA VAL 71 HA VAL 71 -4.637 -3.820 -3.661 588 HB VAL 71 HB VAL 71 -5.557 -1.526 -5.409 589 1HG1 VAL 71 1HG1 VAL 71 -7.816 -2.339 -4.944 590 2HG1 VAL 71 2HG1 VAL 71 -7.145 -3.700 -4.045 591 3HG1 VAL 71 3HG1 VAL 71 -6.855 -3.559 -5.779 592 1HG2 VAL 71 1HG2 VAL 71 -5.985 -2.040 -2.469 593 2HG2 VAL 71 2HG2 VAL 71 -6.740 -0.749 -3.404 594 3HG2 VAL 71 3HG2 VAL 71 -4.992 -0.765 -3.177 595 H SER 72 H SER 72 -3.261 -2.427 -6.575 596 HA SER 72 HA SER 72 -4.488 -4.228 -8.392 597 1HB SER 72 2HB SER 72 -1.988 -2.561 -8.771 598 2HB SER 72 1HB SER 72 -2.969 -3.279 -10.051 599 HG SER 72 HG SER 72 -3.552 -1.117 -8.345 600 H PHE 73 H PHE 73 -1.274 -4.167 -6.854 601 HA PHE 73 HA PHE 73 -0.355 -6.410 -8.383 602 1HB PHE 73 2HB PHE 73 1.105 -4.584 -7.414 603 2HB PHE 73 1HB PHE 73 0.858 -5.326 -5.838 604 HD1 PHE 73 1HD PHE 73 2.510 -5.610 -9.071 605 HD2 PHE 73 2HD PHE 73 1.854 -7.495 -5.313 606 HE1 PHE 73 1HE PHE 73 4.385 -7.137 -9.514 607 HE2 PHE 73 2HE PHE 73 3.728 -9.029 -5.753 608 HZ PHE 73 HZ PHE 73 4.994 -8.850 -7.855 609 H LEU 74 H LEU 74 -1.780 -5.974 -5.197 610 HA LEU 74 HA LEU 74 -1.101 -8.683 -4.426 611 1HB LEU 74 2HB LEU 74 -2.626 -6.550 -2.940 612 2HB LEU 74 1HB LEU 74 -2.136 -8.095 -2.272 613 HG LEU 74 HG LEU 74 -0.320 -5.859 -3.161 614 1HD1 LEU 74 1HD1 LEU 74 0.337 -5.798 -0.814 615 2HD1 LEU 74 2HD1 LEU 74 -0.839 -7.061 -0.450 616 3HD1 LEU 74 3HD1 LEU 74 -1.388 -5.482 -1.013 617 1HD2 LEU 74 1HD2 LEU 74 1.530 -7.264 -2.411 618 2HD2 LEU 74 2HD2 LEU 74 0.658 -8.011 -3.751 619 3HD2 LEU 74 3HD2 LEU 74 0.406 -8.590 -2.105 620 H PHE 75 H PHE 75 -4.038 -6.841 -5.160 621 HA PHE 75 HA PHE 75 -5.573 -9.345 -4.917 622 1HB PHE 75 2HB PHE 75 -6.283 -7.562 -3.378 623 2HB PHE 75 1HB PHE 75 -6.518 -6.475 -4.741 624 HD1 PHE 75 1HD PHE 75 -7.695 -9.702 -3.332 625 HD2 PHE 75 2HD PHE 75 -8.585 -6.347 -5.791 626 HE1 PHE 75 1HE PHE 75 -10.019 -10.467 -3.531 627 HE2 PHE 75 2HE PHE 75 -10.917 -7.112 -5.996 628 HZ PHE 75 HZ PHE 75 -11.634 -9.175 -4.866 629 H GLU 76 H GLU 76 -5.103 -6.461 -6.852 630 HA GLU 76 HA GLU 76 -5.779 -5.796 -8.884 631 1HB GLU 76 2HB GLU 76 -4.177 -7.622 -9.490 632 2HB GLU 76 1HB GLU 76 -5.563 -8.694 -9.678 633 1HG GLU 76 2HG GLU 76 -4.709 -7.678 -11.801 634 2HG GLU 76 1HG GLU 76 -6.426 -7.430 -11.487 635 H GLY 77 H GLY 77 -7.800 -5.296 -7.953 636 1HA GLY 77 2HA GLY 77 -9.923 -6.453 -9.570 637 2HA GLY 77 1HA GLY 77 -10.159 -6.481 -7.824 638 H LYS 78 H LYS 78 -8.431 -4.024 -9.566 639 HA LYS 78 HA LYS 78 -10.324 -2.045 -8.515 640 1HB LYS 78 2HB LYS 78 -8.443 -0.439 -8.743 641 2HB LYS 78 1HB LYS 78 -8.078 -1.775 -7.664 642 1HG LYS 78 2HG LYS 78 -6.122 -1.574 -8.869 643 2HG LYS 78 1HG LYS 78 -6.968 -2.837 -9.760 644 1HD LYS 78 2HD LYS 78 -7.672 -1.260 -11.436 645 2HD LYS 78 1HD LYS 78 -7.022 0.087 -10.503 646 1HE LYS 78 2HE LYS 78 -5.490 -0.398 -12.269 647 2HE LYS 78 1HE LYS 78 -4.757 -0.917 -10.755 648 1HZ LYS 78 1HZ LYS 78 -5.478 -3.204 -11.286 649 2HZ LYS 78 2HZ LYS 78 -4.399 -2.570 -12.427 650 3HZ LYS 78 3HZ LYS 78 -6.047 -2.656 -12.782 651 H ASP 79 H ASP 79 -10.931 -0.255 -9.799 652 HA ASP 79 HA ASP 79 -10.280 -0.435 -12.663 653 1HB ASP 79 2HB ASP 79 -12.528 0.316 -13.241 654 2HB ASP 79 1HB ASP 79 -12.620 -1.166 -12.298 655 H VAL 80 H VAL 80 -9.460 1.121 -10.126 656 HA VAL 80 HA VAL 80 -10.083 3.859 -10.710 657 HB VAL 80 HB VAL 80 -7.829 2.857 -8.963 658 1HG1 VAL 80 1HG1 VAL 80 -9.464 5.390 -8.885 659 2HG1 VAL 80 2HG1 VAL 80 -7.803 5.243 -9.460 660 3HG1 VAL 80 3HG1 VAL 80 -8.178 4.958 -7.760 661 1HG2 VAL 80 1HG2 VAL 80 -10.724 3.252 -8.207 662 2HG2 VAL 80 2HG2 VAL 80 -9.405 2.942 -7.078 663 3HG2 VAL 80 3HG2 VAL 80 -9.854 1.718 -8.263 664 H HIS 81 H HIS 81 -8.629 5.434 -11.560 665 HA HIS 81 HA HIS 81 -7.007 4.266 -13.661 666 1HB HIS 81 2HB HIS 81 -7.783 7.137 -13.116 667 2HB HIS 81 1HB HIS 81 -6.857 6.599 -14.512 668 HD1 HIS 81 1HD HIS 81 -8.171 5.935 -16.515 669 HD2 HIS 81 2HD HIS 81 -10.480 6.003 -13.065 670 HE1 HIS 81 1HE HIS 81 -10.531 5.537 -17.274 671 HE2 HIS 81 2HE HIS 81 -11.860 5.351 -15.147 672 H ILE 82 H ILE 82 -5.051 3.631 -12.976 673 HA ILE 82 HA ILE 82 -3.472 5.390 -11.277 674 HB ILE 82 HB ILE 82 -2.599 2.786 -12.549 675 1HG1 ILE 82 2HG1 ILE 82 -3.831 3.261 -9.826 676 2HG1 ILE 82 1HG1 ILE 82 -4.618 2.448 -11.171 677 1HG2 ILE 82 1HG2 ILE 82 -0.943 2.764 -10.730 678 2HG2 ILE 82 2HG2 ILE 82 -1.544 4.325 -10.172 679 3HG2 ILE 82 3HG2 ILE 82 -0.772 4.191 -11.750 680 1HD1 ILE 82 1HD1 ILE 82 -3.789 0.858 -9.538 681 2HD1 ILE 82 2HD1 ILE 82 -2.156 1.494 -9.731 682 3HD1 ILE 82 3HD1 ILE 82 -2.950 0.676 -11.078 683 H GLU 83 H GLU 83 -3.221 7.156 -12.645 684 HA GLU 83 HA GLU 83 -1.669 6.661 -15.100 685 1HB GLU 83 2HB GLU 83 -3.486 9.016 -14.595 686 2HB GLU 83 1HB GLU 83 -2.749 8.542 -16.115 687 1HG GLU 83 2HG GLU 83 -4.920 7.084 -14.637 688 2HG GLU 83 1HG GLU 83 -5.089 8.001 -16.131 689 H GLY 84 H GLY 84 -1.295 7.701 -12.061 690 1HA GLY 84 2HA GLY 84 0.370 8.981 -11.067 691 2HA GLY 84 1HA GLY 84 0.927 9.438 -12.672 692 H TYR 85 H TYR 85 -1.108 10.655 -13.826 693 HA TYR 85 HA TYR 85 -1.875 12.837 -12.006 694 1HB TYR 85 2HB TYR 85 -1.519 12.823 -15.007 695 2HB TYR 85 1HB TYR 85 -2.181 14.179 -14.105 696 HD1 TYR 85 1HD TYR 85 0.839 12.372 -15.031 697 HD2 TYR 85 2HD TYR 85 -0.738 15.474 -12.585 698 HE1 TYR 85 1HE TYR 85 3.112 13.240 -14.671 699 HE2 TYR 85 2HE TYR 85 1.529 16.347 -12.220 700 HH TYR 85 HH TYR 85 3.835 15.567 -12.293 701 H THR 86 H THR 86 -3.781 12.005 -11.219 702 HA THR 86 HA THR 86 -5.927 11.724 -13.198 703 HB THR 86 HB THR 86 -5.342 9.467 -12.469 704 HG1 THR 86 1HG THR 86 -7.465 8.920 -11.559 705 1HG2 THR 86 1HG2 THR 86 -5.959 10.428 -9.673 706 2HG2 THR 86 2HG2 THR 86 -4.367 9.985 -10.288 707 3HG2 THR 86 3HG2 THR 86 -5.628 8.760 -10.142 708 HA PRO 87 HA PRO 87 -7.798 14.636 -10.409 709 1HB PRO 87 2HB PRO 87 -10.034 15.103 -11.778 710 2HB PRO 87 1HB PRO 87 -8.461 15.581 -12.427 711 1HG PRO 87 2HG PRO 87 -10.174 13.237 -13.137 712 2HG PRO 87 1HG PRO 87 -9.194 14.273 -14.190 713 1HD PRO 87 2HD PRO 87 -8.434 11.777 -13.205 714 2HD PRO 87 1HD PRO 87 -7.340 12.998 -13.878 715 H GLU 88 H GLU 88 -8.233 11.629 -10.048 716 HA GLU 88 HA GLU 88 -10.989 11.469 -9.201 717 1HB GLU 88 2HB GLU 88 -8.700 9.514 -8.934 718 2HB GLU 88 1HB GLU 88 -10.359 9.181 -8.451 719 1HG GLU 88 2HG GLU 88 -11.113 9.462 -10.730 720 2HG GLU 88 1HG GLU 88 -9.484 9.899 -11.239 721 H ASP 89 H ASP 89 -10.376 13.470 -7.851 722 HA ASP 89 HA ASP 89 -9.099 13.042 -5.331 723 1HB ASP 89 2HB ASP 89 -11.081 15.188 -6.134 724 2HB ASP 89 1HB ASP 89 -10.018 15.233 -4.733 725 H LYS 90 H LYS 90 -12.431 13.223 -6.438 726 HA LYS 90 HA LYS 90 -13.514 12.478 -3.868 727 1HB LYS 90 2HB LYS 90 -14.776 14.018 -5.255 728 2HB LYS 90 1HB LYS 90 -14.768 12.881 -6.593 729 1HG LYS 90 2HG LYS 90 -16.074 11.315 -5.094 730 2HG LYS 90 1HG LYS 90 -16.270 12.689 -4.003 731 1HD LYS 90 2HD LYS 90 -17.370 13.961 -5.740 732 2HD LYS 90 1HD LYS 90 -17.093 12.661 -6.903 733 1HE LYS 90 2HE LYS 90 -18.751 12.440 -4.396 734 2HE LYS 90 1HE LYS 90 -19.391 12.667 -6.021 735 1HZ LYS 90 1HZ LYS 90 -19.475 10.352 -5.338 736 2HZ LYS 90 2HZ LYS 90 -17.798 10.325 -5.107 737 3HZ LYS 90 3HZ LYS 90 -18.433 10.545 -6.660 738 H LYS 91 H LYS 91 -14.500 10.499 -3.387 739 HA LYS 91 HA LYS 91 -14.170 8.384 -5.393 740 1HB LYS 91 2HB LYS 91 -13.762 6.805 -3.449 741 2HB LYS 91 1HB LYS 91 -12.452 7.910 -3.829 742 1HG LYS 91 2HG LYS 91 -13.045 9.319 -1.963 743 2HG LYS 91 1HG LYS 91 -14.457 8.320 -1.616 744 1HD LYS 91 2HD LYS 91 -12.679 7.750 -0.084 745 2HD LYS 91 1HD LYS 91 -12.944 6.403 -1.194 746 1HE LYS 91 2HE LYS 91 -11.023 7.107 -2.521 747 2HE LYS 91 1HE LYS 91 -10.771 8.489 -1.454 748 1HZ LYS 91 1HZ LYS 91 -10.628 5.643 -0.608 749 2HZ LYS 91 2HZ LYS 91 -10.290 6.991 0.353 750 3HZ LYS 91 3HZ LYS 91 -9.288 6.615 -0.955 Start of MODEL 17 1 1H MET 1 1HT MET 1 1.103 -24.288 7.207 2 2H MET 1 2HT MET 1 0.806 -22.664 7.590 3 3H MET 1 3HT MET 1 -0.466 -23.786 7.588 4 HA MET 1 HA MET 1 0.529 -24.973 9.424 5 1HB MET 1 2HB MET 1 2.545 -22.723 9.299 6 2HB MET 1 1HB MET 1 2.406 -23.852 10.640 7 1HG MET 1 2HG MET 1 2.933 -25.701 9.135 8 2HG MET 1 1HG MET 1 3.070 -24.570 7.793 9 1HE MET 1 1HE MET 1 4.971 -22.797 7.527 10 2HE MET 1 2HE MET 1 6.224 -22.496 8.729 11 3HE MET 1 3HE MET 1 4.548 -22.082 9.083 12 H SER 2 H SER 2 0.494 -21.423 9.099 13 HA SER 2 HA SER 2 -0.918 -21.150 11.616 14 1HB SER 2 2HB SER 2 -0.252 -19.058 9.530 15 2HB SER 2 1HB SER 2 -0.806 -18.750 11.175 16 HG SER 2 HG SER 2 1.396 -20.379 11.041 17 H ARG 3 H ARG 3 -1.600 -20.200 8.237 18 HA ARG 3 HA ARG 3 -4.402 -20.911 8.639 19 1HB ARG 3 2HB ARG 3 -4.187 -18.512 9.275 20 2HB ARG 3 1HB ARG 3 -3.560 -18.169 7.670 21 1HG ARG 3 2HG ARG 3 -5.673 -18.888 6.688 22 2HG ARG 3 1HG ARG 3 -6.303 -19.240 8.296 23 1HD ARG 3 2HD ARG 3 -5.984 -16.868 8.902 24 2HD ARG 3 1HD ARG 3 -5.444 -16.541 7.254 25 HE ARG 3 HE ARG 3 -7.869 -17.680 6.886 26 1HH1 ARG 3 1HH1 ARG 3 -6.769 -15.009 8.862 27 2HH1 ARG 3 2HH1 ARG 3 -8.291 -14.180 8.814 28 1HH2 ARG 3 1HH2 ARG 3 -9.863 -16.594 6.805 29 2HH2 ARG 3 2HH2 ARG 3 -10.059 -15.082 7.635 30 H THR 4 H THR 4 -4.404 -22.478 7.067 31 HA THR 4 HA THR 4 -3.180 -22.134 4.517 32 HB THR 4 HB THR 4 -4.666 -24.116 3.889 33 HG1 THR 4 1HG THR 4 -6.219 -23.687 5.585 34 1HG2 THR 4 1HG2 THR 4 -2.785 -24.356 6.236 35 2HG2 THR 4 2HG2 THR 4 -2.348 -24.416 4.530 36 3HG2 THR 4 3HG2 THR 4 -3.331 -25.699 5.234 37 H ILE 5 H ILE 5 -3.855 -20.718 3.072 38 HA ILE 5 HA ILE 5 -6.741 -20.441 2.606 39 HB ILE 5 HB ILE 5 -6.233 -17.957 2.131 40 1HG1 ILE 5 2HG1 ILE 5 -4.467 -17.131 3.852 41 2HG1 ILE 5 1HG1 ILE 5 -3.825 -18.766 3.748 42 1HG2 ILE 5 1HG2 ILE 5 -6.636 -17.381 4.514 43 2HG2 ILE 5 2HG2 ILE 5 -6.361 -19.077 4.917 44 3HG2 ILE 5 3HG2 ILE 5 -7.708 -18.626 3.875 45 1HD1 ILE 5 1HD1 ILE 5 -2.624 -17.245 2.288 46 2HD1 ILE 5 2HD1 ILE 5 -4.122 -16.842 1.451 47 3HD1 ILE 5 3HD1 ILE 5 -3.470 -18.477 1.353 48 H PHE 6 H PHE 6 -7.174 -19.250 0.524 49 HA PHE 6 HA PHE 6 -5.224 -20.078 -1.505 50 1HB PHE 6 2HB PHE 6 -8.159 -19.374 -1.730 51 2HB PHE 6 1HB PHE 6 -7.120 -19.677 -3.118 52 HD1 PHE 6 1HD PHE 6 -5.996 -21.940 -3.298 53 HD2 PHE 6 2HD PHE 6 -9.182 -21.131 -0.597 54 HE1 PHE 6 1HE PHE 6 -6.440 -24.349 -3.110 55 HE2 PHE 6 2HE PHE 6 -9.633 -23.542 -0.403 56 HZ PHE 6 HZ PHE 6 -8.261 -25.154 -1.659 57 H CYS 7 H CYS 7 -3.808 -18.523 -1.819 58 HA CYS 7 HA CYS 7 -4.166 -15.817 -1.210 59 1HB CYS 7 2HB CYS 7 -1.968 -16.929 -1.363 60 2HB CYS 7 1HB CYS 7 -2.171 -17.064 -3.106 61 HG CYS 7 HG CYS 7 -2.331 -13.974 -1.731 62 H THR 8 H THR 8 -4.553 -13.995 -2.470 63 HA THR 8 HA THR 8 -6.260 -14.340 -4.726 64 HB THR 8 HB THR 8 -5.811 -11.733 -4.809 65 HG1 THR 8 1HG THR 8 -4.541 -11.069 -3.262 66 1HG2 THR 8 1HG2 THR 8 -7.540 -11.432 -3.083 67 2HG2 THR 8 2HG2 THR 8 -7.296 -13.096 -2.557 68 3HG2 THR 8 3HG2 THR 8 -7.933 -12.766 -4.167 69 H TYR 9 H TYR 9 -2.899 -13.312 -4.333 70 HA TYR 9 HA TYR 9 -2.627 -12.756 -7.159 71 1HB TYR 9 2HB TYR 9 -1.445 -11.320 -5.589 72 2HB TYR 9 1HB TYR 9 -0.595 -12.706 -4.914 73 HD1 TYR 9 1HD TYR 9 -1.037 -10.801 -8.088 74 HD2 TYR 9 2HD TYR 9 1.473 -13.338 -5.783 75 HE1 TYR 9 1HE TYR 9 0.772 -10.490 -9.724 76 HE2 TYR 9 2HE TYR 9 3.288 -13.035 -7.410 77 HH TYR 9 HH TYR 9 3.543 -12.431 -9.791 78 H LEU 10 H LEU 10 -1.419 -15.179 -4.850 79 HA LEU 10 HA LEU 10 0.023 -16.582 -6.913 80 1HB LEU 10 2HB LEU 10 -0.648 -17.560 -4.137 81 2HB LEU 10 1HB LEU 10 0.583 -18.196 -5.209 82 HG LEU 10 HG LEU 10 0.636 -15.438 -3.975 83 1HD1 LEU 10 1HD1 LEU 10 0.919 -17.148 -2.281 84 2HD1 LEU 10 2HD1 LEU 10 2.456 -16.341 -2.593 85 3HD1 LEU 10 3HD1 LEU 10 2.150 -17.946 -3.259 86 1HD2 LEU 10 1HD2 LEU 10 1.799 -15.547 -6.116 87 2HD2 LEU 10 2HD2 LEU 10 2.707 -16.954 -5.562 88 3HD2 LEU 10 3HD2 LEU 10 2.946 -15.389 -4.784 89 H GLN 11 H GLN 11 -3.043 -16.854 -5.277 90 HA GLN 11 HA GLN 11 -4.798 -18.248 -5.429 91 1HB GLN 11 2HB GLN 11 -3.898 -18.032 -8.285 92 2HB GLN 11 1HB GLN 11 -5.350 -18.929 -7.835 93 1HG GLN 11 2HG GLN 11 -6.304 -16.969 -6.818 94 2HG GLN 11 1HG GLN 11 -4.827 -16.056 -7.111 95 1HE2 GLN 11 1HE2 GLN 11 -5.998 -14.502 -8.205 96 2HE2 GLN 11 2HE2 GLN 11 -6.576 -14.760 -9.820 97 H ARG 12 H ARG 12 -2.652 -19.455 -4.424 98 HA ARG 12 HA ARG 12 -3.163 -22.240 -5.188 99 1HB ARG 12 2HB ARG 12 -0.874 -22.847 -4.835 100 2HB ARG 12 1HB ARG 12 -0.851 -21.459 -5.912 101 1HG ARG 12 2HG ARG 12 -0.336 -19.997 -4.017 102 2HG ARG 12 1HG ARG 12 -0.351 -21.395 -2.941 103 1HD ARG 12 2HD ARG 12 1.452 -22.363 -4.473 104 2HD ARG 12 1HD ARG 12 1.592 -20.735 -5.135 105 HE ARG 12 HE ARG 12 1.876 -21.158 -2.242 106 1HH1 ARG 12 1HH1 ARG 12 3.282 -20.185 -5.303 107 2HH1 ARG 12 2HH1 ARG 12 4.716 -19.542 -4.575 108 1HH2 ARG 12 1HH2 ARG 12 3.758 -20.307 -1.288 109 2HH2 ARG 12 2HH2 ARG 12 4.994 -19.619 -2.295 110 H ASP 13 H ASP 13 -2.454 -23.676 -3.239 111 HA ASP 13 HA ASP 13 -3.614 -22.702 -0.824 112 1HB ASP 13 2HB ASP 13 -3.537 -25.119 -1.410 113 2HB ASP 13 1HB ASP 13 -1.789 -25.094 -1.212 114 H ALA 14 H ALA 14 -2.686 -21.176 0.376 115 HA ALA 14 HA ALA 14 0.248 -21.181 0.576 116 1HB ALA 14 1HB ALA 14 -0.460 -19.504 -1.067 117 2HB ALA 14 2HB ALA 14 0.288 -18.769 0.350 118 3HB ALA 14 3HB ALA 14 -1.464 -18.738 0.165 119 H GLU 15 H GLU 15 0.843 -19.357 2.249 120 HA GLU 15 HA GLU 15 -0.584 -20.061 4.698 121 1HB GLU 15 2HB GLU 15 1.832 -20.578 4.602 122 2HB GLU 15 1HB GLU 15 2.177 -18.882 4.299 123 1HG GLU 15 2HG GLU 15 2.622 -19.311 6.588 124 2HG GLU 15 1HG GLU 15 1.142 -18.352 6.500 125 H GLY 16 H GLY 16 -1.731 -18.558 5.758 126 1HA GLY 16 2HA GLY 16 -2.082 -15.915 4.889 127 2HA GLY 16 1HA GLY 16 -2.442 -16.500 6.512 128 H GLN 17 H GLN 17 -0.816 -14.188 5.000 129 HA GLN 17 HA GLN 17 1.850 -14.322 5.606 130 1HB GLN 17 2HB GLN 17 0.680 -12.500 4.323 131 2HB GLN 17 1HB GLN 17 0.229 -11.793 5.871 132 1HG GLN 17 2HG GLN 17 2.906 -12.147 6.188 133 2HG GLN 17 1HG GLN 17 2.786 -11.779 4.468 134 1HE2 GLN 17 1HE2 GLN 17 2.308 -10.602 7.691 135 2HE2 GLN 17 2HE2 GLN 17 2.112 -8.938 7.268 136 H ASP 18 H ASP 18 -0.548 -12.641 7.629 137 HA ASP 18 HA ASP 18 0.385 -13.765 10.044 138 1HB ASP 18 2HB ASP 18 2.155 -11.912 9.279 139 2HB ASP 18 1HB ASP 18 0.971 -10.835 10.015 140 H PHE 19 H PHE 19 -0.357 -11.653 11.768 141 HA PHE 19 HA PHE 19 -3.202 -11.358 11.040 142 1HB PHE 19 2HB PHE 19 -1.963 -11.887 13.748 143 2HB PHE 19 1HB PHE 19 -3.663 -11.506 13.495 144 HD1 PHE 19 1HD PHE 19 -5.052 -13.064 12.093 145 HD2 PHE 19 2HD PHE 19 -1.157 -14.069 13.474 146 HE1 PHE 19 1HE PHE 19 -5.525 -15.440 11.673 147 HE2 PHE 19 2HE PHE 19 -1.619 -16.449 13.059 148 HZ PHE 19 HZ PHE 19 -3.803 -17.139 12.154 149 H GLN 20 H GLN 20 -3.910 -9.759 13.255 150 HA GLN 20 HA GLN 20 -3.054 -7.219 12.229 151 1HB GLN 20 2HB GLN 20 -4.920 -7.982 14.473 152 2HB GLN 20 1HB GLN 20 -4.565 -6.312 14.039 153 1HG GLN 20 2HG GLN 20 -5.783 -8.386 12.227 154 2HG GLN 20 1HG GLN 20 -6.645 -7.077 13.037 155 1HE2 GLN 20 1HE2 GLN 20 -6.366 -4.974 12.329 156 2HE2 GLN 20 2HE2 GLN 20 -5.682 -4.603 10.784 157 H LEU 21 H LEU 21 -0.909 -7.015 12.674 158 HA LEU 21 HA LEU 21 -0.175 -6.893 15.506 159 1HB LEU 21 2HB LEU 21 2.208 -6.725 14.280 160 2HB LEU 21 1HB LEU 21 1.454 -8.229 14.762 161 HG LEU 21 HG LEU 21 0.534 -8.412 12.419 162 1HD1 LEU 21 1HD1 LEU 21 2.525 -6.232 11.824 163 2HD1 LEU 21 2HD1 LEU 21 0.774 -6.040 11.804 164 3HD1 LEU 21 3HD1 LEU 21 1.555 -7.125 10.656 165 1HD2 LEU 21 1HD2 LEU 21 2.473 -9.680 13.184 166 2HD2 LEU 21 2HD2 LEU 21 3.532 -8.347 12.723 167 3HD2 LEU 21 3HD2 LEU 21 2.630 -9.225 11.488 168 H TYR 22 H TYR 22 -0.351 -4.948 12.597 169 HA TYR 22 HA TYR 22 0.239 -2.596 14.186 170 1HB TYR 22 2HB TYR 22 1.943 -3.434 11.853 171 2HB TYR 22 1HB TYR 22 1.822 -1.750 12.350 172 HD1 TYR 22 1HD TYR 22 2.512 -1.139 14.704 173 HD2 TYR 22 2HD TYR 22 3.357 -4.934 12.986 174 HE1 TYR 22 1HE TYR 22 4.243 -1.514 16.404 175 HE2 TYR 22 2HE TYR 22 5.090 -5.322 14.681 176 HH TYR 22 HH TYR 22 6.425 -4.227 16.246 177 HA PRO 23 HA PRO 23 -1.701 -1.110 10.056 178 1HB PRO 23 2HB PRO 23 -2.673 -3.471 8.645 179 2HB PRO 23 1HB PRO 23 -1.651 -2.160 8.054 180 1HG PRO 23 2HG PRO 23 -0.705 -4.656 8.444 181 2HG PRO 23 1HG PRO 23 0.294 -3.211 8.691 182 1HD PRO 23 2HD PRO 23 -1.122 -4.903 10.723 183 2HD PRO 23 1HD PRO 23 0.521 -4.228 10.770 184 H GLY 24 H GLY 24 -3.981 -1.017 9.165 185 1HA GLY 24 2HA GLY 24 -5.815 -1.671 11.337 186 2HA GLY 24 1HA GLY 24 -6.140 -0.592 9.985 187 H GLU 25 H GLU 25 -8.096 -1.528 9.448 188 HA GLU 25 HA GLU 25 -8.673 -4.227 9.250 189 1HB GLU 25 2HB GLU 25 -10.429 -2.582 9.173 190 2HB GLU 25 1HB GLU 25 -9.787 -1.902 7.683 191 1HG GLU 25 2HG GLU 25 -10.268 -4.021 6.539 192 2HG GLU 25 1HG GLU 25 -10.985 -4.640 8.023 193 H LEU 26 H LEU 26 -7.316 -2.063 6.798 194 HA LEU 26 HA LEU 26 -7.399 -3.847 4.644 195 1HB LEU 26 2HB LEU 26 -5.539 -1.558 5.242 196 2HB LEU 26 1HB LEU 26 -5.517 -2.439 3.725 197 HG LEU 26 HG LEU 26 -7.886 -0.916 4.803 198 1HD1 LEU 26 1HD1 LEU 26 -7.418 0.687 3.030 199 2HD1 LEU 26 2HD1 LEU 26 -5.973 -0.220 2.583 200 3HD1 LEU 26 3HD1 LEU 26 -6.065 0.572 4.155 201 1HD2 LEU 26 1HD2 LEU 26 -8.746 -1.247 2.487 202 2HD2 LEU 26 2HD2 LEU 26 -8.631 -2.723 3.441 203 3HD2 LEU 26 3HD2 LEU 26 -7.417 -2.374 2.211 204 H GLY 27 H GLY 27 -5.302 -3.688 7.378 205 1HA GLY 27 2HA GLY 27 -3.085 -5.111 6.423 206 2HA GLY 27 1HA GLY 27 -3.640 -5.085 8.092 207 H LYS 28 H LYS 28 -5.870 -6.392 8.264 208 HA LYS 28 HA LYS 28 -5.052 -9.076 7.741 209 1HB LYS 28 2HB LYS 28 -7.034 -9.759 8.949 210 2HB LYS 28 1HB LYS 28 -6.239 -8.451 9.809 211 1HG LYS 28 2HG LYS 28 -7.885 -6.874 8.839 212 2HG LYS 28 1HG LYS 28 -8.719 -8.253 8.114 213 1HD LYS 28 2HD LYS 28 -9.034 -9.209 10.364 214 2HD LYS 28 1HD LYS 28 -8.256 -7.788 11.061 215 1HE LYS 28 2HE LYS 28 -10.626 -7.513 11.238 216 2HE LYS 28 1HE LYS 28 -10.027 -6.384 10.025 217 1HZ LYS 28 1HZ LYS 28 -11.368 -8.980 9.501 218 2HZ LYS 28 2HZ LYS 28 -10.725 -7.971 8.310 219 3HZ LYS 28 3HZ LYS 28 -12.025 -7.442 9.251 220 H ARG 29 H ARG 29 -7.150 -6.808 6.204 221 HA ARG 29 HA ARG 29 -8.665 -8.604 4.628 222 1HB ARG 29 2HB ARG 29 -9.310 -6.266 4.957 223 2HB ARG 29 1HB ARG 29 -7.858 -5.732 4.128 224 1HG ARG 29 2HG ARG 29 -8.661 -6.672 2.047 225 2HG ARG 29 1HG ARG 29 -10.095 -7.301 2.863 226 1HD ARG 29 2HD ARG 29 -10.890 -5.104 3.323 227 2HD ARG 29 1HD ARG 29 -9.369 -4.382 2.808 228 HE ARG 29 HE ARG 29 -10.423 -5.807 0.652 229 1HH1 ARG 29 1HH1 ARG 29 -11.218 -3.002 2.580 230 2HH1 ARG 29 2HH1 ARG 29 -11.994 -2.161 1.277 231 1HH2 ARG 29 1HH2 ARG 29 -11.424 -4.699 -1.080 232 2HH2 ARG 29 2HH2 ARG 29 -12.113 -3.128 -0.811 233 H ILE 30 H ILE 30 -5.421 -7.403 4.406 234 HA ILE 30 HA ILE 30 -5.094 -8.593 1.757 235 HB ILE 30 HB ILE 30 -3.169 -7.005 3.461 236 1HG1 ILE 30 2HG1 ILE 30 -4.545 -6.321 0.853 237 2HG1 ILE 30 1HG1 ILE 30 -5.077 -5.768 2.437 238 1HG2 ILE 30 1HG2 ILE 30 -2.802 -8.098 0.672 239 2HG2 ILE 30 2HG2 ILE 30 -1.962 -8.646 2.123 240 3HG2 ILE 30 3HG2 ILE 30 -1.692 -7.015 1.510 241 1HD1 ILE 30 1HD1 ILE 30 -2.950 -4.595 2.727 242 2HD1 ILE 30 2HD1 ILE 30 -3.835 -4.041 1.304 243 3HD1 ILE 30 3HD1 ILE 30 -2.455 -5.124 1.118 244 H TYR 31 H TYR 31 -3.838 -8.919 5.065 245 HA TYR 31 HA TYR 31 -1.920 -10.911 4.491 246 1HB TYR 31 2HB TYR 31 -3.281 -10.253 7.107 247 2HB TYR 31 1HB TYR 31 -1.864 -11.277 6.941 248 HD1 TYR 31 1HD TYR 31 -1.224 -8.933 4.555 249 HD2 TYR 31 2HD TYR 31 -1.564 -9.208 8.787 250 HE1 TYR 31 1HE TYR 31 0.216 -6.954 4.795 251 HE2 TYR 31 2HE TYR 31 -0.124 -7.232 9.037 252 HH TYR 31 HH TYR 31 0.731 -5.227 6.379 253 H ASN 32 H ASN 32 -5.308 -11.173 4.696 254 HA ASN 32 HA ASN 32 -5.318 -13.891 5.684 255 1HB ASN 32 2HB ASN 32 -7.730 -13.805 5.380 256 2HB ASN 32 1HB ASN 32 -7.173 -12.359 6.211 257 1HD2 ASN 32 1HD2 ASN 32 -9.623 -12.609 4.875 258 2HD2 ASN 32 2HD2 ASN 32 -9.634 -11.494 3.557 259 H GLU 33 H GLU 33 -5.053 -12.334 2.626 260 HA GLU 33 HA GLU 33 -5.275 -14.964 1.336 261 1HB GLU 33 2HB GLU 33 -6.397 -12.370 0.262 262 2HB GLU 33 1HB GLU 33 -6.289 -13.867 -0.656 263 1HG GLU 33 2HG GLU 33 -7.723 -14.955 1.047 264 2HG GLU 33 1HG GLU 33 -7.907 -13.390 1.835 265 H ILE 34 H ILE 34 -3.098 -12.949 2.228 266 HA ILE 34 HA ILE 34 -1.553 -13.240 -0.255 267 HB ILE 34 HB ILE 34 -1.662 -10.891 1.606 268 1HG1 ILE 34 2HG1 ILE 34 -2.991 -10.870 -0.461 269 2HG1 ILE 34 1HG1 ILE 34 -1.731 -9.640 -0.497 270 1HG2 ILE 34 1HG2 ILE 34 0.431 -10.027 0.669 271 2HG2 ILE 34 2HG2 ILE 34 0.677 -11.549 -0.189 272 3HG2 ILE 34 3HG2 ILE 34 0.694 -11.516 1.575 273 1HD1 ILE 34 1HD1 ILE 34 -0.341 -11.208 -1.838 274 2HD1 ILE 34 2HD1 ILE 34 -1.822 -10.676 -2.636 275 3HD1 ILE 34 3HD1 ILE 34 -1.734 -12.286 -1.922 276 H SER 35 H SER 35 0.273 -14.314 -0.089 277 HA SER 35 HA SER 35 1.110 -15.297 2.513 278 1HB SER 35 2HB SER 35 0.908 -16.866 0.601 279 2HB SER 35 1HB SER 35 2.149 -15.953 -0.258 280 HG SER 35 HG SER 35 3.446 -17.325 0.695 281 H LYS 36 H LYS 36 3.390 -15.293 3.055 282 HA LYS 36 HA LYS 36 4.681 -12.862 3.122 283 1HB LYS 36 2HB LYS 36 5.854 -15.646 3.186 284 2HB LYS 36 1HB LYS 36 6.764 -14.194 3.575 285 1HG LYS 36 2HG LYS 36 4.284 -15.071 5.037 286 2HG LYS 36 1HG LYS 36 5.929 -15.460 5.542 287 1HD LYS 36 2HD LYS 36 6.408 -13.008 5.605 288 2HD LYS 36 1HD LYS 36 4.695 -12.720 5.297 289 1HE LYS 36 2HE LYS 36 5.126 -12.553 7.666 290 2HE LYS 36 1HE LYS 36 4.149 -13.985 7.346 291 1HZ LYS 36 1HZ LYS 36 7.079 -13.945 7.825 292 2HZ LYS 36 2HZ LYS 36 6.172 -15.323 7.460 293 3HZ LYS 36 3HZ LYS 36 5.897 -14.493 8.904 294 H ASP 37 H ASP 37 4.841 -15.402 0.724 295 HA ASP 37 HA ASP 37 7.039 -14.602 -0.771 296 1HB ASP 37 2HB ASP 37 4.487 -15.781 -1.884 297 2HB ASP 37 1HB ASP 37 6.095 -15.878 -2.594 298 H ALA 38 H ALA 38 3.626 -13.939 -1.522 299 HA ALA 38 HA ALA 38 4.147 -12.154 -3.624 300 1HB ALA 38 1HB ALA 38 1.676 -12.390 -1.912 301 2HB ALA 38 2HB ALA 38 2.017 -13.310 -3.376 302 3HB ALA 38 3HB ALA 38 1.779 -11.565 -3.468 303 H TRP 39 H TRP 39 3.646 -11.639 -0.179 304 HA TRP 39 HA TRP 39 3.470 -8.836 -0.229 305 1HB TRP 39 2HB TRP 39 2.914 -10.257 1.732 306 2HB TRP 39 1HB TRP 39 4.628 -10.587 1.953 307 HD1 TRP 39 HD TRP 39 5.984 -8.871 3.357 308 HE1 TRP 39 1HE TRP 39 5.434 -6.627 4.489 309 HE3 TRP 39 3HE TRP 39 1.347 -8.072 1.357 310 HZ2 TRP 39 2HZ TRP 39 3.313 -4.758 4.527 311 HZ3 TRP 39 3HZ TRP 39 0.125 -6.032 1.991 312 HH2 TRP 39 HH TRP 39 1.086 -4.413 3.544 313 H ALA 40 H ALA 40 6.255 -11.010 0.038 314 HA ALA 40 HA ALA 40 8.194 -8.960 0.334 315 1HB ALA 40 1HB ALA 40 8.631 -11.281 0.975 316 2HB ALA 40 2HB ALA 40 9.837 -10.686 -0.167 317 3HB ALA 40 3HB ALA 40 8.554 -11.763 -0.719 318 H GLN 41 H GLN 41 6.940 -10.725 -2.461 319 HA GLN 41 HA GLN 41 8.599 -9.675 -4.446 320 1HB GLN 41 2HB GLN 41 5.660 -10.349 -4.688 321 2HB GLN 41 1HB GLN 41 6.800 -10.216 -6.018 322 1HG GLN 41 2HG GLN 41 8.029 -12.142 -5.166 323 2HG GLN 41 1HG GLN 41 6.906 -12.255 -3.806 324 1HE2 GLN 41 1HE2 GLN 41 7.542 -14.175 -5.937 325 2HE2 GLN 41 2HE2 GLN 41 6.034 -14.547 -6.691 326 H TRP 42 H TRP 42 5.583 -8.457 -3.077 327 HA TRP 42 HA TRP 42 5.346 -6.299 -4.880 328 1HB TRP 42 2HB TRP 42 3.455 -7.288 -3.587 329 2HB TRP 42 1HB TRP 42 4.104 -6.516 -2.139 330 HD1 TRP 42 HD TRP 42 2.604 -4.475 -1.641 331 HE1 TRP 42 1HE TRP 42 1.632 -2.537 -3.035 332 HE3 TRP 42 3HE TRP 42 4.152 -5.953 -6.282 333 HZ2 TRP 42 2HZ TRP 42 1.538 -1.754 -5.747 334 HZ3 TRP 42 3HZ TRP 42 3.584 -4.561 -8.218 335 HH2 TRP 42 HH TRP 42 2.304 -2.510 -7.960 336 H GLN 43 H GLN 43 6.465 -6.452 -1.500 337 HA GLN 43 HA GLN 43 7.019 -3.712 -1.266 338 1HB GLN 43 2HB GLN 43 8.201 -6.094 0.162 339 2HB GLN 43 1HB GLN 43 8.617 -4.433 0.565 340 1HG GLN 43 2HG GLN 43 6.093 -4.080 0.850 341 2HG GLN 43 1HG GLN 43 5.994 -5.840 0.881 342 1HE2 GLN 43 1HE2 GLN 43 5.463 -3.809 2.957 343 2HE2 GLN 43 2HE2 GLN 43 6.450 -4.251 4.306 344 H HIS 44 H HIS 44 8.931 -6.378 -2.534 345 HA HIS 44 HA HIS 44 11.379 -5.031 -2.810 346 1HB HIS 44 2HB HIS 44 11.145 -7.466 -3.098 347 2HB HIS 44 1HB HIS 44 10.209 -7.205 -4.562 348 HD1 HIS 44 1HD HIS 44 13.711 -7.068 -3.235 349 HD2 HIS 44 2HD HIS 44 11.706 -6.626 -6.850 350 HE1 HIS 44 1HE HIS 44 15.497 -7.035 -4.997 351 HE2 HIS 44 2HE HIS 44 14.275 -6.631 -7.164 352 H LYS 45 H LYS 45 8.701 -5.422 -5.133 353 HA LYS 45 HA LYS 45 9.864 -3.893 -7.197 354 1HB LYS 45 2HB LYS 45 7.910 -5.496 -7.378 355 2HB LYS 45 1HB LYS 45 6.906 -4.241 -6.678 356 1HG LYS 45 2HG LYS 45 8.463 -3.892 -9.236 357 2HG LYS 45 1HG LYS 45 6.799 -4.461 -9.177 358 1HD LYS 45 2HD LYS 45 7.802 -1.779 -8.208 359 2HD LYS 45 1HD LYS 45 6.894 -2.079 -9.690 360 1HE LYS 45 2HE LYS 45 5.005 -2.901 -8.338 361 2HE LYS 45 1HE LYS 45 5.912 -2.537 -6.874 362 1HZ LYS 45 1HZ LYS 45 4.819 -0.631 -8.863 363 2HZ LYS 45 2HZ LYS 45 5.990 -0.180 -7.735 364 3HZ LYS 45 3HZ LYS 45 4.482 -0.728 -7.206 365 H GLN 46 H GLN 46 7.541 -3.020 -4.644 366 HA GLN 46 HA GLN 46 7.088 -0.414 -5.606 367 1HB GLN 46 2HB GLN 46 5.689 -1.763 -3.925 368 2HB GLN 46 1HB GLN 46 6.819 -1.172 -2.708 369 1HG GLN 46 2HG GLN 46 4.949 0.291 -2.715 370 2HG GLN 46 1HG GLN 46 6.303 1.143 -3.475 371 1HE2 GLN 46 1HE2 GLN 46 4.988 2.531 -4.652 372 2HE2 GLN 46 2HE2 GLN 46 4.035 1.995 -6.002 373 H THR 47 H THR 47 9.211 -1.607 -3.024 374 HA THR 47 HA THR 47 10.202 0.876 -2.202 375 HB THR 47 HB THR 47 11.625 -1.793 -2.146 376 HG1 THR 47 1HG THR 47 9.866 -2.120 -0.936 377 1HG2 THR 47 1HG2 THR 47 13.130 0.111 -1.731 378 2HG2 THR 47 2HG2 THR 47 12.893 -0.856 -0.276 379 3HG2 THR 47 3HG2 THR 47 12.048 0.682 -0.461 380 H MET 48 H MET 48 11.154 -1.247 -4.841 381 HA MET 48 HA MET 48 13.543 0.001 -5.575 382 1HB MET 48 2HB MET 48 12.803 -2.130 -6.538 383 2HB MET 48 1HB MET 48 11.488 -1.304 -7.364 384 1HG MET 48 2HG MET 48 13.328 -1.763 -8.878 385 2HG MET 48 1HG MET 48 13.086 -0.029 -8.678 386 1HE MET 48 1HE MET 48 16.520 -2.409 -6.713 387 2HE MET 48 2HE MET 48 15.378 -3.108 -7.859 388 3HE MET 48 3HE MET 48 14.827 -2.609 -6.261 389 H LEU 49 H LEU 49 10.210 0.652 -6.661 390 HA LEU 49 HA LEU 49 10.942 2.741 -8.426 391 1HB LEU 49 2HB LEU 49 8.293 2.300 -7.047 392 2HB LEU 49 1HB LEU 49 8.570 3.341 -8.430 393 HG LEU 49 HG LEU 49 8.698 0.331 -8.357 394 1HD1 LEU 49 1HD1 LEU 49 6.900 0.475 -9.968 395 2HD1 LEU 49 2HD1 LEU 49 6.978 2.236 -9.933 396 3HD1 LEU 49 3HD1 LEU 49 6.470 1.348 -8.497 397 1HD2 LEU 49 1HD2 LEU 49 10.527 1.129 -9.738 398 2HD2 LEU 49 2HD2 LEU 49 9.429 2.196 -10.612 399 3HD2 LEU 49 3HD2 LEU 49 9.251 0.446 -10.745 400 H ILE 50 H ILE 50 9.988 2.659 -5.053 401 HA ILE 50 HA ILE 50 9.741 5.399 -4.573 402 HB ILE 50 HB ILE 50 10.665 3.207 -2.708 403 1HG1 ILE 50 2HG1 ILE 50 7.964 4.515 -3.096 404 2HG1 ILE 50 1HG1 ILE 50 8.408 2.901 -3.639 405 1HG2 ILE 50 1HG2 ILE 50 10.116 4.715 -0.874 406 2HG2 ILE 50 2HG2 ILE 50 9.717 5.989 -2.025 407 3HG2 ILE 50 3HG2 ILE 50 11.378 5.409 -1.894 408 1HD1 ILE 50 1HD1 ILE 50 8.230 3.848 -0.790 409 2HD1 ILE 50 2HD1 ILE 50 8.748 2.241 -1.298 410 3HD1 ILE 50 3HD1 ILE 50 7.101 2.779 -1.620 411 H ASN 51 H ASN 51 12.594 3.320 -4.634 412 HA ASN 51 HA ASN 51 14.334 5.446 -3.751 413 1HB ASN 51 2HB ASN 51 14.788 2.611 -4.627 414 2HB ASN 51 1HB ASN 51 16.143 3.722 -4.456 415 1HD2 ASN 51 1HD2 ASN 51 13.697 1.907 -2.810 416 2HD2 ASN 51 2HD2 ASN 51 14.318 2.143 -1.211 417 H GLU 52 H GLU 52 13.448 3.961 -6.822 418 HA GLU 52 HA GLU 52 15.437 5.229 -8.377 419 1HB GLU 52 2HB GLU 52 12.725 4.133 -9.088 420 2HB GLU 52 1HB GLU 52 13.802 4.841 -10.283 421 1HG GLU 52 2HG GLU 52 15.531 3.163 -9.526 422 2HG GLU 52 1HG GLU 52 14.231 2.373 -8.634 423 H LYS 53 H LYS 53 12.114 6.164 -7.564 424 HA LYS 53 HA LYS 53 12.383 8.648 -9.035 425 1HB LYS 53 2HB LYS 53 10.129 7.643 -7.287 426 2HB LYS 53 1HB LYS 53 10.070 9.067 -8.320 427 1HG LYS 53 2HG LYS 53 10.433 7.601 -10.283 428 2HG LYS 53 1HG LYS 53 10.358 6.205 -9.208 429 1HD LYS 53 2HD LYS 53 8.083 6.849 -8.550 430 2HD LYS 53 1HD LYS 53 8.160 8.223 -9.652 431 1HE LYS 53 2HE LYS 53 8.339 5.312 -10.415 432 2HE LYS 53 1HE LYS 53 6.945 6.362 -10.655 433 1HZ LYS 53 1HZ LYS 53 9.608 6.641 -11.946 434 2HZ LYS 53 2HZ LYS 53 8.338 7.745 -12.121 435 3HZ LYS 53 3HZ LYS 53 8.166 6.165 -12.695 436 H LYS 54 H LYS 54 12.950 7.504 -5.895 437 HA LYS 54 HA LYS 54 13.445 8.435 -3.895 438 1HB LYS 54 2HB LYS 54 14.250 10.765 -5.645 439 2HB LYS 54 1HB LYS 54 14.672 10.594 -3.947 440 1HG LYS 54 2HG LYS 54 15.969 8.626 -4.415 441 2HG LYS 54 1HG LYS 54 15.451 8.643 -6.100 442 1HD LYS 54 2HD LYS 54 16.571 10.808 -6.401 443 2HD LYS 54 1HD LYS 54 17.125 10.742 -4.727 444 1HE LYS 54 2HE LYS 54 18.376 8.712 -5.200 445 2HE LYS 54 1HE LYS 54 17.779 8.709 -6.857 446 1HZ LYS 54 1HZ LYS 54 19.979 9.602 -6.810 447 2HZ LYS 54 2HZ LYS 54 19.565 10.729 -5.620 448 3HZ LYS 54 3HZ LYS 54 18.910 10.860 -7.172 449 H LEU 55 H LEU 55 11.001 8.354 -3.789 450 HA LEU 55 HA LEU 55 9.926 11.068 -3.518 451 1HB LEU 55 2HB LEU 55 7.667 9.972 -3.823 452 2HB LEU 55 1HB LEU 55 8.698 10.078 -5.233 453 HG LEU 55 HG LEU 55 9.367 7.630 -4.609 454 1HD1 LEU 55 1HD1 LEU 55 7.538 6.382 -3.568 455 2HD1 LEU 55 2HD1 LEU 55 6.706 7.897 -3.223 456 3HD1 LEU 55 3HD1 LEU 55 8.256 7.547 -2.459 457 1HD2 LEU 55 1HD2 LEU 55 6.661 8.307 -5.751 458 2HD2 LEU 55 2HD2 LEU 55 7.530 6.791 -5.980 459 3HD2 LEU 55 3HD2 LEU 55 8.185 8.289 -6.637 460 H ASN 56 H ASN 56 9.090 11.721 -1.670 461 HA ASN 56 HA ASN 56 9.157 9.900 0.619 462 1HB ASN 56 2HB ASN 56 10.239 12.235 0.599 463 2HB ASN 56 1HB ASN 56 8.602 12.872 0.664 464 1HD2 ASN 56 1HD2 ASN 56 7.601 10.782 2.446 465 2HD2 ASN 56 2HD2 ASN 56 8.280 11.117 3.999 466 H MET 57 H MET 57 7.320 9.088 1.469 467 HA MET 57 HA MET 57 4.833 9.581 0.143 468 1HB MET 57 2HB MET 57 5.603 7.841 2.470 469 2HB MET 57 1HB MET 57 3.945 7.972 1.898 470 1HG MET 57 2HG MET 57 6.311 7.009 0.312 471 2HG MET 57 1HG MET 57 5.006 6.018 0.964 472 1HE MET 57 1HE MET 57 4.377 5.911 -2.913 473 2HE MET 57 2HE MET 57 4.660 4.958 -1.457 474 3HE MET 57 3HE MET 57 5.945 5.974 -2.107 475 H MET 58 H MET 58 5.737 11.945 1.394 476 HA MET 58 HA MET 58 3.783 12.335 3.548 477 1HB MET 58 2HB MET 58 4.845 14.493 3.921 478 2HB MET 58 1HB MET 58 6.060 13.223 3.910 479 1HG MET 58 2HG MET 58 6.776 13.829 1.714 480 2HG MET 58 1HG MET 58 5.444 14.969 1.543 481 1HE MET 58 1HE MET 58 7.487 14.518 4.887 482 2HE MET 58 2HE MET 58 8.869 15.569 4.576 483 3HE MET 58 3HE MET 58 8.646 14.102 3.625 484 H ASN 59 H ASN 59 3.994 12.426 0.290 485 HA ASN 59 HA ASN 59 2.069 14.627 0.002 486 1HB ASN 59 2HB ASN 59 4.169 13.531 -1.845 487 2HB ASN 59 1HB ASN 59 2.802 14.431 -2.486 488 1HD2 ASN 59 1HD2 ASN 59 4.130 16.082 -3.230 489 2HD2 ASN 59 2HD2 ASN 59 4.874 17.218 -2.155 490 H ALA 60 H ALA 60 0.132 14.262 -0.910 491 HA ALA 60 HA ALA 60 -0.956 11.701 -0.547 492 1HB ALA 60 1HB ALA 60 -3.032 12.660 -1.313 493 2HB ALA 60 2HB ALA 60 -2.173 14.031 -2.017 494 3HB ALA 60 3HB ALA 60 -2.195 13.806 -0.267 495 H GLU 61 H GLU 61 0.192 13.317 -3.451 496 HA GLU 61 HA GLU 61 -1.122 11.773 -5.366 497 1HB GLU 61 2HB GLU 61 1.610 13.042 -5.540 498 2HB GLU 61 1HB GLU 61 0.709 12.405 -6.909 499 1HG GLU 61 2HG GLU 61 0.066 14.787 -5.208 500 2HG GLU 61 1HG GLU 61 0.359 14.722 -6.944 501 H HIS 62 H HIS 62 1.963 11.183 -3.738 502 HA HIS 62 HA HIS 62 2.508 8.805 -5.252 503 1HB HIS 62 2HB HIS 62 3.746 9.708 -2.640 504 2HB HIS 62 1HB HIS 62 4.377 8.466 -3.713 505 HD1 HIS 62 1HD HIS 62 4.999 9.448 -6.221 506 HD2 HIS 62 2HD HIS 62 4.805 12.139 -3.065 507 HE1 HIS 62 1HE HIS 62 6.262 11.479 -6.991 508 HE2 HIS 62 2HE HIS 62 6.277 13.028 -5.003 509 H ARG 63 H ARG 63 0.964 9.603 -2.247 510 HA ARG 63 HA ARG 63 0.944 7.105 -0.992 511 1HB ARG 63 2HB ARG 63 0.332 9.193 0.133 512 2HB ARG 63 1HB ARG 63 -1.109 9.318 -0.866 513 1HG ARG 63 2HG ARG 63 -1.749 7.036 0.131 514 2HG ARG 63 1HG ARG 63 -0.512 7.390 1.340 515 1HD ARG 63 2HD ARG 63 -2.901 9.096 0.684 516 2HD ARG 63 1HD ARG 63 -2.708 8.092 2.121 517 HE ARG 63 HE ARG 63 -0.640 9.624 2.464 518 1HH1 ARG 63 1HH1 ARG 63 -3.748 10.602 1.189 519 2HH1 ARG 63 2HH1 ARG 63 -3.605 12.237 1.751 520 1HH2 ARG 63 1HH2 ARG 63 -0.454 11.747 3.228 521 2HH2 ARG 63 2HH2 ARG 63 -1.737 12.884 2.944 522 H LYS 64 H LYS 64 -1.555 8.612 -3.058 523 HA LYS 64 HA LYS 64 -3.190 6.277 -3.012 524 1HB LYS 64 2HB LYS 64 -4.557 7.370 -4.696 525 2HB LYS 64 1HB LYS 64 -4.158 8.496 -3.408 526 1HG LYS 64 2HG LYS 64 -2.769 9.756 -4.756 527 2HG LYS 64 1HG LYS 64 -2.500 8.431 -5.892 528 1HD LYS 64 2HD LYS 64 -4.793 8.627 -6.693 529 2HD LYS 64 1HD LYS 64 -5.107 9.910 -5.526 530 1HE LYS 64 2HE LYS 64 -2.944 10.123 -7.601 531 2HE LYS 64 1HE LYS 64 -4.606 10.614 -7.921 532 1HZ LYS 64 1HZ LYS 64 -3.054 12.417 -7.154 533 2HZ LYS 64 2HZ LYS 64 -3.044 11.664 -5.635 534 3HZ LYS 64 3HZ LYS 64 -4.489 12.262 -6.270 535 H LEU 65 H LEU 65 -0.611 7.427 -5.073 536 HA LEU 65 HA LEU 65 -1.106 5.751 -7.284 537 1HB LEU 65 2HB LEU 65 0.524 7.710 -7.124 538 2HB LEU 65 1HB LEU 65 1.629 6.603 -6.338 539 HG LEU 65 HG LEU 65 0.523 5.925 -9.041 540 1HD1 LEU 65 1HD1 LEU 65 1.378 8.192 -9.263 541 2HD1 LEU 65 2HD1 LEU 65 2.441 7.038 -10.069 542 3HD1 LEU 65 3HD1 LEU 65 2.890 7.705 -8.501 543 1HD2 LEU 65 1HD2 LEU 65 2.665 4.763 -9.256 544 2HD2 LEU 65 2HD2 LEU 65 1.765 4.209 -7.843 545 3HD2 LEU 65 3HD2 LEU 65 3.123 5.317 -7.645 546 H LEU 66 H LEU 66 0.877 5.291 -4.374 547 HA LEU 66 HA LEU 66 1.748 2.684 -4.945 548 1HB LEU 66 2HB LEU 66 2.693 4.141 -3.172 549 2HB LEU 66 1HB LEU 66 1.224 3.937 -2.242 550 HG LEU 66 HG LEU 66 2.840 1.524 -3.007 551 1HD1 LEU 66 1HD1 LEU 66 4.446 3.062 -2.025 552 2HD1 LEU 66 2HD1 LEU 66 4.091 1.740 -0.916 553 3HD1 LEU 66 3HD1 LEU 66 3.374 3.328 -0.648 554 1HD2 LEU 66 1HD2 LEU 66 0.638 1.186 -1.993 555 2HD2 LEU 66 2HD2 LEU 66 1.118 2.177 -0.614 556 3HD2 LEU 66 3HD2 LEU 66 1.928 0.641 -0.923 557 H GLU 67 H GLU 67 -1.144 3.880 -3.275 558 HA GLU 67 HA GLU 67 -2.063 1.356 -2.423 559 1HB GLU 67 2HB GLU 67 -2.827 3.585 -1.541 560 2HB GLU 67 1HB GLU 67 -3.775 3.773 -3.010 561 1HG GLU 67 2HG GLU 67 -5.074 1.807 -2.462 562 2HG GLU 67 1HG GLU 67 -4.084 1.527 -1.031 563 H GLN 68 H GLN 68 -2.711 3.260 -5.335 564 HA GLN 68 HA GLN 68 -4.627 1.629 -6.530 565 1HB GLN 68 2HB GLN 68 -2.437 3.313 -7.740 566 2HB GLN 68 1HB GLN 68 -3.657 2.500 -8.708 567 1HG GLN 68 2HG GLN 68 -5.404 3.784 -7.729 568 2HG GLN 68 1HG GLN 68 -4.305 4.473 -6.535 569 1HE2 GLN 68 1HE2 GLN 68 -2.167 4.804 -8.524 570 2HE2 GLN 68 2HE2 GLN 68 -2.624 6.169 -9.477 571 H GLU 69 H GLU 69 -1.088 1.500 -6.806 572 HA GLU 69 HA GLU 69 -0.961 -0.780 -8.455 573 1HB GLU 69 2HB GLU 69 1.028 0.255 -6.430 574 2HB GLU 69 1HB GLU 69 1.371 -0.976 -7.629 575 1HG GLU 69 2HG GLU 69 0.886 0.684 -9.400 576 2HG GLU 69 1HG GLU 69 0.711 1.908 -8.139 577 H MET 70 H MET 70 -0.927 -0.370 -4.960 578 HA MET 70 HA MET 70 -0.198 -2.948 -4.205 579 1HB MET 70 2HB MET 70 -0.290 -0.874 -2.773 580 2HB MET 70 1HB MET 70 -2.029 -1.100 -2.670 581 1HG MET 70 2HG MET 70 -1.737 -3.195 -1.531 582 2HG MET 70 1HG MET 70 0.012 -3.107 -1.745 583 1HE MET 70 1HE MET 70 -0.139 -2.509 2.070 584 2HE MET 70 2HE MET 70 0.661 -3.361 0.749 585 3HE MET 70 3HE MET 70 -1.037 -3.676 1.102 586 H VAL 71 H VAL 71 -3.437 -1.544 -4.573 587 HA VAL 71 HA VAL 71 -4.831 -3.898 -3.842 588 HB VAL 71 HB VAL 71 -5.795 -1.550 -5.483 589 1HG1 VAL 71 1HG1 VAL 71 -7.238 -3.490 -5.764 590 2HG1 VAL 71 2HG1 VAL 71 -8.043 -2.245 -4.808 591 3HG1 VAL 71 3HG1 VAL 71 -7.361 -3.665 -4.015 592 1HG2 VAL 71 1HG2 VAL 71 -6.764 -0.765 -3.359 593 2HG2 VAL 71 2HG2 VAL 71 -5.003 -0.843 -3.311 594 3HG2 VAL 71 3HG2 VAL 71 -5.963 -2.096 -2.524 595 H SER 72 H SER 72 -3.695 -2.650 -6.946 596 HA SER 72 HA SER 72 -5.253 -4.510 -8.473 597 1HB SER 72 2HB SER 72 -3.785 -3.661 -10.373 598 2HB SER 72 1HB SER 72 -4.770 -2.456 -9.543 599 HG SER 72 HG SER 72 -3.022 -1.565 -8.721 600 H PHE 73 H PHE 73 -2.238 -4.664 -6.870 601 HA PHE 73 HA PHE 73 -1.363 -6.947 -8.479 602 1HB PHE 73 2HB PHE 73 0.293 -5.192 -8.001 603 2HB PHE 73 1HB PHE 73 0.068 -5.451 -6.276 604 HD1 PHE 73 1HD PHE 73 1.578 -6.718 -9.338 605 HD2 PHE 73 2HD PHE 73 0.960 -7.438 -5.191 606 HE1 PHE 73 1HE PHE 73 3.392 -8.375 -9.359 607 HE2 PHE 73 2HE PHE 73 2.770 -9.105 -5.206 608 HZ PHE 73 HZ PHE 73 3.991 -9.571 -7.293 609 H LEU 74 H LEU 74 -1.778 -6.114 -5.030 610 HA LEU 74 HA LEU 74 -1.342 -8.809 -4.206 611 1HB LEU 74 2HB LEU 74 -2.393 -6.405 -2.728 612 2HB LEU 74 1HB LEU 74 -2.113 -7.960 -1.968 613 HG LEU 74 HG LEU 74 0.017 -6.267 -3.286 614 1HD1 LEU 74 1HD1 LEU 74 -0.592 -6.759 -0.375 615 2HD1 LEU 74 2HD1 LEU 74 -0.818 -5.240 -1.242 616 3HD1 LEU 74 3HD1 LEU 74 0.806 -5.884 -0.997 617 1HD2 LEU 74 1HD2 LEU 74 1.578 -7.845 -2.259 618 2HD2 LEU 74 2HD2 LEU 74 0.500 -8.664 -3.388 619 3HD2 LEU 74 3HD2 LEU 74 0.224 -8.797 -1.652 620 H PHE 75 H PHE 75 -4.201 -6.868 -4.846 621 HA PHE 75 HA PHE 75 -5.901 -9.069 -3.936 622 1HB PHE 75 2HB PHE 75 -6.505 -6.829 -3.141 623 2HB PHE 75 1HB PHE 75 -6.623 -6.260 -4.803 624 HD1 PHE 75 1HD PHE 75 -8.694 -6.190 -5.797 625 HD2 PHE 75 2HD PHE 75 -8.036 -8.890 -2.576 626 HE1 PHE 75 1HE PHE 75 -11.071 -6.823 -5.846 627 HE2 PHE 75 2HE PHE 75 -10.410 -9.522 -2.614 628 HZ PHE 75 HZ PHE 75 -11.932 -8.490 -4.253 629 H GLU 76 H GLU 76 -5.200 -7.110 -6.781 630 HA GLU 76 HA GLU 76 -5.613 -7.329 -8.984 631 1HB GLU 76 2HB GLU 76 -5.826 -10.234 -8.221 632 2HB GLU 76 1HB GLU 76 -5.972 -9.677 -9.881 633 1HG GLU 76 2HG GLU 76 -3.683 -8.538 -9.424 634 2HG GLU 76 1HG GLU 76 -3.585 -9.686 -8.091 635 H GLY 77 H GLY 77 -7.425 -6.150 -9.244 636 1HA GLY 77 2HA GLY 77 -9.613 -6.858 -10.438 637 2HA GLY 77 1HA GLY 77 -10.002 -7.501 -8.851 638 H LYS 78 H LYS 78 -8.494 -4.443 -9.905 639 HA LYS 78 HA LYS 78 -10.761 -3.059 -8.635 640 1HB LYS 78 2HB LYS 78 -9.264 -1.198 -8.113 641 2HB LYS 78 1HB LYS 78 -8.726 -2.680 -7.346 642 1HG LYS 78 2HG LYS 78 -6.744 -2.509 -8.304 643 2HG LYS 78 1HG LYS 78 -7.472 -2.393 -9.905 644 1HD LYS 78 2HD LYS 78 -6.167 -0.422 -9.545 645 2HD LYS 78 1HD LYS 78 -7.866 0.028 -9.474 646 1HE LYS 78 2HE LYS 78 -6.225 -0.542 -7.021 647 2HE LYS 78 1HE LYS 78 -6.342 1.059 -7.735 648 1HZ LYS 78 1HZ LYS 78 -8.794 0.885 -7.434 649 2HZ LYS 78 2HZ LYS 78 -7.925 0.917 -5.987 650 3HZ LYS 78 3HZ LYS 78 -8.553 -0.544 -6.562 651 H ASP 79 H ASP 79 -11.069 -0.796 -9.571 652 HA ASP 79 HA ASP 79 -11.249 -1.215 -12.459 653 1HB ASP 79 2HB ASP 79 -13.065 0.422 -12.389 654 2HB ASP 79 1HB ASP 79 -13.329 -0.855 -11.205 655 H VAL 80 H VAL 80 -9.043 0.235 -10.652 656 HA VAL 80 HA VAL 80 -8.966 2.734 -12.178 657 HB VAL 80 HB VAL 80 -7.376 1.962 -9.724 658 1HG1 VAL 80 1HG1 VAL 80 -7.568 4.603 -11.170 659 2HG1 VAL 80 2HG1 VAL 80 -6.170 3.527 -11.163 660 3HG1 VAL 80 3HG1 VAL 80 -6.691 4.306 -9.668 661 1HG2 VAL 80 1HG2 VAL 80 -8.790 3.626 -8.583 662 2HG2 VAL 80 2HG2 VAL 80 -9.719 2.261 -9.200 663 3HG2 VAL 80 3HG2 VAL 80 -9.741 3.802 -10.057 664 H HIS 81 H HIS 81 -7.688 2.868 -13.863 665 HA HIS 81 HA HIS 81 -5.751 0.893 -14.534 666 1HB HIS 81 2HB HIS 81 -6.994 2.134 -16.261 667 2HB HIS 81 1HB HIS 81 -6.248 3.635 -15.730 668 HD1 HIS 81 1HD HIS 81 -5.621 0.592 -17.773 669 HD2 HIS 81 2HD HIS 81 -3.542 3.964 -16.511 670 HE1 HIS 81 1HE HIS 81 -3.544 0.677 -19.185 671 HE2 HIS 81 2HE HIS 81 -2.202 2.580 -18.241 672 H ILE 82 H ILE 82 -3.600 0.869 -14.195 673 HA ILE 82 HA ILE 82 -2.570 2.724 -12.246 674 HB ILE 82 HB ILE 82 -1.175 0.424 -13.623 675 1HG1 ILE 82 2HG1 ILE 82 -3.155 -0.322 -12.399 676 2HG1 ILE 82 1HG1 ILE 82 -1.692 -0.829 -11.558 677 1HG2 ILE 82 1HG2 ILE 82 0.367 0.521 -11.714 678 2HG2 ILE 82 2HG2 ILE 82 -0.469 1.958 -11.125 679 3HG2 ILE 82 3HG2 ILE 82 0.394 2.008 -12.662 680 1HD1 ILE 82 1HD1 ILE 82 -3.460 1.494 -10.826 681 2HD1 ILE 82 2HD1 ILE 82 -1.966 1.048 -10.000 682 3HD1 ILE 82 3HD1 ILE 82 -3.345 -0.051 -9.985 683 H GLU 83 H GLU 83 -1.487 4.482 -12.647 684 HA GLU 83 HA GLU 83 -0.378 6.153 -13.662 685 1HB GLU 83 2HB GLU 83 0.788 3.912 -15.314 686 2HB GLU 83 1HB GLU 83 1.323 5.584 -15.412 687 1HG GLU 83 2HG GLU 83 1.821 5.452 -12.948 688 2HG GLU 83 1HG GLU 83 1.533 3.717 -13.069 689 H GLY 84 H GLY 84 -2.384 6.984 -14.363 690 1HA GLY 84 2HA GLY 84 -3.151 6.616 -17.124 691 2HA GLY 84 1HA GLY 84 -3.852 7.760 -15.983 692 H TYR 85 H TYR 85 -2.032 7.507 -18.716 693 HA TYR 85 HA TYR 85 -0.112 9.574 -18.166 694 1HB TYR 85 2HB TYR 85 -0.848 8.314 -20.814 695 2HB TYR 85 1HB TYR 85 0.590 9.273 -20.482 696 HD1 TYR 85 1HD TYR 85 -0.975 6.009 -20.195 697 HD2 TYR 85 2HD TYR 85 2.400 8.341 -19.072 698 HE1 TYR 85 1HE TYR 85 0.227 3.953 -19.580 699 HE2 TYR 85 2HE TYR 85 3.614 6.293 -18.450 700 HH TYR 85 HH TYR 85 2.502 3.169 -19.299 701 H THR 86 H THR 86 -1.527 11.271 -17.557 702 HA THR 86 HA THR 86 -2.993 12.519 -19.768 703 HB THR 86 HB THR 86 -3.863 14.049 -17.930 704 HG1 THR 86 1HG THR 86 -2.180 13.452 -16.411 705 1HG2 THR 86 1HG2 THR 86 -5.476 12.369 -17.100 706 2HG2 THR 86 2HG2 THR 86 -4.460 11.092 -17.771 707 3HG2 THR 86 3HG2 THR 86 -5.230 12.262 -18.843 708 HA PRO 87 HA PRO 87 0.740 15.099 -19.692 709 1HB PRO 87 2HB PRO 87 0.542 15.499 -22.488 710 2HB PRO 87 1HB PRO 87 1.624 14.392 -21.645 711 1HG PRO 87 2HG PRO 87 -0.494 13.664 -23.322 712 2HG PRO 87 1HG PRO 87 0.359 12.597 -22.196 713 1HD PRO 87 2HD PRO 87 -2.268 13.964 -21.892 714 2HD PRO 87 1HD PRO 87 -1.724 12.395 -21.258 715 H GLU 88 H GLU 88 -1.395 16.057 -22.365 716 HA GLU 88 HA GLU 88 -1.237 18.805 -21.519 717 1HB GLU 88 2HB GLU 88 -2.827 17.602 -23.792 718 2HB GLU 88 1HB GLU 88 -2.469 19.307 -23.556 719 1HG GLU 88 2HG GLU 88 -0.509 17.112 -24.182 720 2HG GLU 88 1HG GLU 88 -1.018 18.427 -25.242 721 H ASP 89 H ASP 89 -3.531 16.204 -21.373 722 HA ASP 89 HA ASP 89 -5.678 17.881 -20.415 723 1HB ASP 89 2HB ASP 89 -6.163 15.804 -21.670 724 2HB ASP 89 1HB ASP 89 -5.389 14.864 -20.398 725 H LYS 90 H LYS 90 -5.429 18.785 -18.459 726 HA LYS 90 HA LYS 90 -3.970 17.321 -16.402 727 1HB LYS 90 2HB LYS 90 -3.506 19.741 -16.760 728 2HB LYS 90 1HB LYS 90 -5.157 20.099 -16.271 729 1HG LYS 90 2HG LYS 90 -4.727 19.165 -14.068 730 2HG LYS 90 1HG LYS 90 -3.083 18.760 -14.554 731 1HD LYS 90 2HD LYS 90 -2.640 21.155 -14.939 732 2HD LYS 90 1HD LYS 90 -4.262 21.524 -14.354 733 1HE LYS 90 2HE LYS 90 -2.609 21.847 -12.594 734 2HE LYS 90 1HE LYS 90 -3.714 20.535 -12.189 735 1HZ LYS 90 1HZ LYS 90 -1.387 20.005 -11.695 736 2HZ LYS 90 2HZ LYS 90 -0.996 20.173 -13.329 737 3HZ LYS 90 3HZ LYS 90 -2.043 18.944 -12.835 738 H LYS 91 H LYS 91 -4.954 16.166 -14.904 739 HA LYS 91 HA LYS 91 -7.729 16.757 -14.206 740 1HB LYS 91 2HB LYS 91 -7.511 14.985 -16.073 741 2HB LYS 91 1HB LYS 91 -6.872 13.935 -14.818 742 1HG LYS 91 2HG LYS 91 -9.209 13.497 -15.125 743 2HG LYS 91 1HG LYS 91 -8.952 14.230 -13.543 744 1HD LYS 91 2HD LYS 91 -10.893 15.237 -14.507 745 2HD LYS 91 1HD LYS 91 -9.601 16.430 -14.538 746 1HE LYS 91 2HE LYS 91 -10.289 14.697 -16.904 747 2HE LYS 91 1HE LYS 91 -11.043 16.261 -16.617 748 1HZ LYS 91 1HZ LYS 91 -8.564 17.040 -16.498 749 2HZ LYS 91 2HZ LYS 91 -9.341 16.844 -17.983 750 3HZ LYS 91 3HZ LYS 91 -8.284 15.646 -17.430 Start of MODEL 18 1 1H MET 1 1HT MET 1 -1.866 -22.506 15.868 2 2H MET 1 2HT MET 1 -2.891 -21.266 15.356 3 3H MET 1 3HT MET 1 -1.709 -20.955 16.522 4 HA MET 1 HA MET 1 -1.067 -20.080 14.365 5 1HB MET 1 2HB MET 1 1.158 -21.086 14.263 6 2HB MET 1 1HB MET 1 0.676 -20.844 15.936 7 1HG MET 1 2HG MET 1 0.157 -23.185 16.173 8 2HG MET 1 1HG MET 1 0.482 -23.461 14.462 9 1HE MET 1 1HE MET 1 2.101 -25.453 15.056 10 2HE MET 1 2HE MET 1 1.776 -25.204 16.771 11 3HE MET 1 3HE MET 1 3.439 -25.325 16.198 12 H SER 2 H SER 2 0.354 -21.158 12.413 13 HA SER 2 HA SER 2 0.407 -22.339 10.488 14 1HB SER 2 2HB SER 2 0.441 -24.321 11.980 15 2HB SER 2 1HB SER 2 -1.321 -24.366 11.928 16 HG SER 2 HG SER 2 -1.229 -25.272 10.035 17 H ARG 3 H ARG 3 -0.659 -20.958 9.165 18 HA ARG 3 HA ARG 3 -3.480 -21.593 8.678 19 1HB ARG 3 2HB ARG 3 -3.840 -19.137 8.206 20 2HB ARG 3 1HB ARG 3 -3.584 -19.555 9.892 21 1HG ARG 3 2HG ARG 3 -1.152 -18.932 9.523 22 2HG ARG 3 1HG ARG 3 -1.677 -18.223 7.997 23 1HD ARG 3 2HD ARG 3 -2.745 -17.498 10.718 24 2HD ARG 3 1HD ARG 3 -1.543 -16.573 9.822 25 HE ARG 3 HE ARG 3 -4.130 -17.033 8.545 26 1HH1 ARG 3 1HH1 ARG 3 -1.979 -14.851 10.241 27 2HH1 ARG 3 2HH1 ARG 3 -2.822 -13.423 9.744 28 1HH2 ARG 3 1HH2 ARG 3 -5.271 -15.165 7.925 29 2HH2 ARG 3 2HH2 ARG 3 -4.714 -13.605 8.436 30 H THR 4 H THR 4 -3.150 -22.746 6.850 31 HA THR 4 HA THR 4 -1.728 -21.495 4.624 32 HB THR 4 HB THR 4 -3.103 -24.190 4.653 33 HG1 THR 4 1HG THR 4 -0.639 -24.729 4.805 34 1HG2 THR 4 1HG2 THR 4 -0.970 -23.016 2.861 35 2HG2 THR 4 2HG2 THR 4 -2.653 -23.316 2.425 36 3HG2 THR 4 3HG2 THR 4 -1.579 -24.669 2.774 37 H ILE 5 H ILE 5 -2.799 -20.350 3.137 38 HA ILE 5 HA ILE 5 -5.733 -20.575 3.111 39 HB ILE 5 HB ILE 5 -5.748 -18.098 2.592 40 1HG1 ILE 5 2HG1 ILE 5 -3.672 -16.951 3.724 41 2HG1 ILE 5 1HG1 ILE 5 -2.854 -18.453 3.314 42 1HG2 ILE 5 1HG2 ILE 5 -5.582 -17.455 4.944 43 2HG2 ILE 5 2HG2 ILE 5 -4.748 -18.968 5.299 44 3HG2 ILE 5 3HG2 ILE 5 -6.422 -18.993 4.747 45 1HD1 ILE 5 1HD1 ILE 5 -3.391 -18.098 0.957 46 2HD1 ILE 5 2HD1 ILE 5 -2.464 -16.757 1.633 47 3HD1 ILE 5 3HD1 ILE 5 -4.200 -16.587 1.375 48 H PHE 6 H PHE 6 -6.710 -19.547 1.148 49 HA PHE 6 HA PHE 6 -5.243 -20.383 -1.227 50 1HB PHE 6 2HB PHE 6 -7.608 -21.107 -0.895 51 2HB PHE 6 1HB PHE 6 -8.104 -19.419 -0.940 52 HD1 PHE 6 1HD PHE 6 -8.411 -18.292 -2.988 53 HD2 PHE 6 2HD PHE 6 -6.625 -22.152 -2.921 54 HE1 PHE 6 1HE PHE 6 -8.627 -18.430 -5.430 55 HE2 PHE 6 2HE PHE 6 -6.840 -22.299 -5.364 56 HZ PHE 6 HZ PHE 6 -7.841 -20.436 -6.624 57 H CYS 7 H CYS 7 -3.841 -18.836 -1.848 58 HA CYS 7 HA CYS 7 -4.274 -16.073 -1.310 59 1HB CYS 7 2HB CYS 7 -2.015 -17.034 -1.417 60 2HB CYS 7 1HB CYS 7 -2.244 -17.382 -3.127 61 HG CYS 7 HG CYS 7 -2.689 -14.173 -2.227 62 H THR 8 H THR 8 -5.148 -14.531 -2.520 63 HA THR 8 HA THR 8 -6.826 -15.197 -4.666 64 HB THR 8 HB THR 8 -6.918 -12.637 -4.928 65 HG1 THR 8 1HG THR 8 -6.010 -11.536 -3.111 66 1HG2 THR 8 1HG2 THR 8 -8.262 -12.404 -2.900 67 2HG2 THR 8 2HG2 THR 8 -7.552 -13.880 -2.246 68 3HG2 THR 8 3HG2 THR 8 -8.579 -13.952 -3.679 69 H TYR 9 H TYR 9 -3.697 -13.512 -4.599 70 HA TYR 9 HA TYR 9 -3.628 -13.042 -7.394 71 1HB TYR 9 2HB TYR 9 -2.328 -11.639 -5.918 72 2HB TYR 9 1HB TYR 9 -1.424 -13.028 -5.322 73 HD1 TYR 9 1HD TYR 9 -2.079 -11.028 -8.387 74 HD2 TYR 9 2HD TYR 9 0.560 -13.692 -6.377 75 HE1 TYR 9 1HE TYR 9 -0.404 -10.695 -10.154 76 HE2 TYR 9 2HE TYR 9 2.242 -13.366 -8.139 77 HH TYR 9 HH TYR 9 2.049 -10.901 -10.446 78 H LEU 10 H LEU 10 -2.351 -15.636 -5.356 79 HA LEU 10 HA LEU 10 -0.862 -16.777 -7.552 80 1HB LEU 10 2HB LEU 10 -1.373 -17.829 -4.776 81 2HB LEU 10 1HB LEU 10 -0.316 -18.581 -5.951 82 HG LEU 10 HG LEU 10 0.086 -15.836 -4.755 83 1HD1 LEU 10 1HD1 LEU 10 1.516 -18.439 -4.235 84 2HD1 LEU 10 2HD1 LEU 10 0.442 -17.596 -3.118 85 3HD1 LEU 10 3HD1 LEU 10 1.976 -16.865 -3.588 86 1HD2 LEU 10 1HD2 LEU 10 2.286 -15.942 -5.840 87 2HD2 LEU 10 2HD2 LEU 10 0.974 -15.985 -7.016 88 3HD2 LEU 10 3HD2 LEU 10 1.832 -17.468 -6.598 89 H GLN 11 H GLN 11 -3.971 -17.225 -6.079 90 HA GLN 11 HA GLN 11 -5.724 -18.601 -6.510 91 1HB GLN 11 2HB GLN 11 -4.243 -18.838 -9.125 92 2HB GLN 11 1HB GLN 11 -5.763 -19.673 -8.836 93 1HG GLN 11 2HG GLN 11 -5.347 -16.694 -8.716 94 2HG GLN 11 1HG GLN 11 -6.086 -17.580 -10.048 95 1HE2 GLN 11 1HE2 GLN 11 -6.511 -16.295 -6.885 96 2HE2 GLN 11 2HE2 GLN 11 -8.202 -16.636 -6.737 97 H ARG 12 H ARG 12 -3.480 -19.596 -5.089 98 HA ARG 12 HA ARG 12 -3.850 -22.451 -5.398 99 1HB ARG 12 2HB ARG 12 -1.282 -21.035 -5.997 100 2HB ARG 12 1HB ARG 12 -1.222 -22.622 -5.248 101 1HG ARG 12 2HG ARG 12 -2.166 -23.668 -7.092 102 2HG ARG 12 1HG ARG 12 -2.826 -22.161 -7.729 103 1HD ARG 12 2HD ARG 12 0.127 -22.669 -7.488 104 2HD ARG 12 1HD ARG 12 -0.799 -23.105 -8.925 105 HE ARG 12 HE ARG 12 -1.390 -20.455 -8.420 106 1HH1 ARG 12 1HH1 ARG 12 1.522 -22.288 -9.086 107 2HH1 ARG 12 2HH1 ARG 12 2.287 -20.988 -9.943 108 1HH2 ARG 12 1HH2 ARG 12 -0.384 -18.760 -9.565 109 2HH2 ARG 12 2HH2 ARG 12 1.210 -18.989 -10.214 110 H ASP 13 H ASP 13 -2.450 -23.601 -3.650 111 HA ASP 13 HA ASP 13 -3.134 -22.588 -1.111 112 1HB ASP 13 2HB ASP 13 -1.033 -24.664 -1.776 113 2HB ASP 13 1HB ASP 13 -1.753 -24.397 -0.194 114 H ALA 14 H ALA 14 -2.114 -21.237 0.224 115 HA ALA 14 HA ALA 14 0.732 -20.719 -0.170 116 1HB ALA 14 1HB ALA 14 0.457 -18.362 -0.330 117 2HB ALA 14 2HB ALA 14 -1.285 -18.490 -0.088 118 3HB ALA 14 3HB ALA 14 -0.550 -19.109 -1.568 119 H GLU 15 H GLU 15 1.524 -19.161 1.571 120 HA GLU 15 HA GLU 15 0.460 -20.154 4.097 121 1HB GLU 15 2HB GLU 15 2.911 -20.333 3.537 122 2HB GLU 15 1HB GLU 15 2.993 -18.578 3.621 123 1HG GLU 15 2HG GLU 15 2.149 -18.737 5.968 124 2HG GLU 15 1HG GLU 15 2.334 -20.485 5.846 125 H GLY 16 H GLY 16 -0.835 -18.938 5.271 126 1HA GLY 16 2HA GLY 16 -1.548 -16.296 4.617 127 2HA GLY 16 1HA GLY 16 -1.907 -17.107 6.138 128 H GLN 17 H GLN 17 -1.012 -14.337 5.504 129 HA GLN 17 HA GLN 17 1.709 -14.133 6.361 130 1HB GLN 17 2HB GLN 17 -0.432 -12.039 6.006 131 2HB GLN 17 1HB GLN 17 1.252 -11.688 6.331 132 1HG GLN 17 2HG GLN 17 1.790 -12.963 4.220 133 2HG GLN 17 1HG GLN 17 0.061 -12.940 3.883 134 1HE2 GLN 17 1HE2 GLN 17 1.880 -10.357 5.415 135 2HE2 GLN 17 2HE2 GLN 17 1.691 -9.216 4.137 136 H ASP 18 H ASP 18 1.543 -11.869 8.027 137 HA ASP 18 HA ASP 18 1.248 -13.149 10.557 138 1HB ASP 18 2HB ASP 18 1.885 -10.300 9.792 139 2HB ASP 18 1HB ASP 18 1.899 -10.893 11.449 140 H PHE 19 H PHE 19 0.282 -11.130 12.206 141 HA PHE 19 HA PHE 19 -2.566 -11.493 11.635 142 1HB PHE 19 2HB PHE 19 -1.681 -12.530 13.686 143 2HB PHE 19 1HB PHE 19 -1.164 -10.950 14.257 144 HD1 PHE 19 1HD PHE 19 -4.351 -12.222 12.769 145 HD2 PHE 19 2HD PHE 19 -2.425 -10.295 16.040 146 HE1 PHE 19 1HE PHE 19 -6.528 -11.916 13.870 147 HE2 PHE 19 2HE PHE 19 -4.599 -9.986 17.142 148 HZ PHE 19 HZ PHE 19 -6.653 -10.801 16.058 149 H GLN 20 H GLN 20 -1.361 -9.172 13.953 150 HA GLN 20 HA GLN 20 -2.175 -6.962 12.205 151 1HB GLN 20 2HB GLN 20 -2.959 -7.217 15.120 152 2HB GLN 20 1HB GLN 20 -3.343 -5.872 14.058 153 1HG GLN 20 2HG GLN 20 -4.279 -8.630 13.384 154 2HG GLN 20 1HG GLN 20 -5.138 -7.669 14.584 155 1HE2 GLN 20 1HE2 GLN 20 -3.582 -6.264 11.773 156 2HE2 GLN 20 2HE2 GLN 20 -5.033 -5.811 10.961 157 H LEU 21 H LEU 21 -0.372 -5.835 11.942 158 HA LEU 21 HA LEU 21 1.588 -5.796 14.123 159 1HB LEU 21 2HB LEU 21 2.033 -5.093 11.222 160 2HB LEU 21 1HB LEU 21 3.262 -5.303 12.451 161 HG LEU 21 HG LEU 21 2.334 -7.749 12.574 162 1HD1 LEU 21 1HD1 LEU 21 1.477 -8.563 10.447 163 2HD1 LEU 21 2HD1 LEU 21 1.474 -6.921 9.804 164 3HD1 LEU 21 3HD1 LEU 21 0.399 -7.350 11.133 165 1HD2 LEU 21 1HD2 LEU 21 3.935 -8.432 10.887 166 2HD2 LEU 21 2HD2 LEU 21 4.583 -7.092 11.832 167 3HD2 LEU 21 3HD2 LEU 21 3.952 -6.804 10.210 168 H TYR 22 H TYR 22 0.994 -3.613 11.409 169 HA TYR 22 HA TYR 22 0.711 -1.436 13.339 170 1HB TYR 22 2HB TYR 22 1.681 0.091 11.661 171 2HB TYR 22 1HB TYR 22 2.797 -1.168 12.163 172 HD1 TYR 22 1HD TYR 22 1.018 0.331 9.398 173 HD2 TYR 22 2HD TYR 22 3.288 -3.064 10.599 174 HE1 TYR 22 1HE TYR 22 1.401 -0.244 7.040 175 HE2 TYR 22 2HE TYR 22 3.681 -3.643 8.242 176 HH TYR 22 HH TYR 22 3.034 -1.513 5.696 177 HA PRO 23 HA PRO 23 -2.721 -0.696 10.197 178 1HB PRO 23 2HB PRO 23 -3.438 -2.540 8.404 179 2HB PRO 23 1HB PRO 23 -2.093 -1.436 8.093 180 1HG PRO 23 2HG PRO 23 -2.048 -4.307 8.860 181 2HG PRO 23 1HG PRO 23 -0.930 -3.398 7.831 182 1HD PRO 23 2HD PRO 23 -0.552 -4.069 10.539 183 2HD PRO 23 1HD PRO 23 0.413 -2.923 9.589 184 H GLY 24 H GLY 24 -5.034 -1.607 9.869 185 1HA GLY 24 2HA GLY 24 -5.563 -3.419 12.140 186 2HA GLY 24 1HA GLY 24 -6.630 -2.112 11.645 187 H GLU 25 H GLU 25 -8.381 -2.765 10.648 188 HA GLU 25 HA GLU 25 -8.803 -5.444 9.923 189 1HB GLU 25 2HB GLU 25 -10.379 -2.940 9.349 190 2HB GLU 25 1HB GLU 25 -10.940 -4.552 8.921 191 1HG GLU 25 2HG GLU 25 -10.291 -3.601 11.700 192 2HG GLU 25 1HG GLU 25 -11.908 -3.793 11.019 193 H LEU 26 H LEU 26 -8.189 -2.570 7.933 194 HA LEU 26 HA LEU 26 -8.596 -3.862 5.452 195 1HB LEU 26 2HB LEU 26 -8.614 -1.427 5.689 196 2HB LEU 26 1HB LEU 26 -6.917 -1.446 6.130 197 HG LEU 26 HG LEU 26 -6.357 -2.298 3.882 198 1HD1 LEU 26 1HD1 LEU 26 -8.448 -3.425 3.360 199 2HD1 LEU 26 2HD1 LEU 26 -8.052 -2.238 2.117 200 3HD1 LEU 26 3HD1 LEU 26 -9.288 -1.874 3.321 201 1HD2 LEU 26 1HD2 LEU 26 -7.980 0.244 3.895 202 2HD2 LEU 26 2HD2 LEU 26 -6.782 -0.212 2.684 203 3HD2 LEU 26 3HD2 LEU 26 -6.281 0.095 4.347 204 H GLY 27 H GLY 27 -5.768 -3.375 7.495 205 1HA GLY 27 2HA GLY 27 -3.855 -4.481 5.727 206 2HA GLY 27 1HA GLY 27 -3.690 -4.362 7.475 207 H LYS 28 H LYS 28 -5.703 -5.926 8.398 208 HA LYS 28 HA LYS 28 -4.659 -8.519 8.159 209 1HB LYS 28 2HB LYS 28 -5.933 -7.668 10.116 210 2HB LYS 28 1HB LYS 28 -7.398 -7.699 9.147 211 1HG LYS 28 2HG LYS 28 -7.276 -10.087 8.946 212 2HG LYS 28 1HG LYS 28 -5.716 -10.117 9.765 213 1HD LYS 28 2HD LYS 28 -7.160 -10.706 11.471 214 2HD LYS 28 1HD LYS 28 -7.015 -8.966 11.707 215 1HE LYS 28 2HE LYS 28 -9.247 -10.269 10.158 216 2HE LYS 28 1HE LYS 28 -9.345 -9.888 11.874 217 1HZ LYS 28 1HZ LYS 28 -8.989 -7.952 9.652 218 2HZ LYS 28 2HZ LYS 28 -8.965 -7.539 11.296 219 3HZ LYS 28 3HZ LYS 28 -10.373 -8.162 10.596 220 H ARG 29 H ARG 29 -7.298 -6.879 6.540 221 HA ARG 29 HA ARG 29 -8.485 -9.081 5.285 222 1HB ARG 29 2HB ARG 29 -9.455 -6.792 5.385 223 2HB ARG 29 1HB ARG 29 -8.262 -6.266 4.205 224 1HG ARG 29 2HG ARG 29 -9.172 -7.833 2.576 225 2HG ARG 29 1HG ARG 29 -10.364 -8.377 3.760 226 1HD ARG 29 2HD ARG 29 -11.270 -6.092 3.863 227 2HD ARG 29 1HD ARG 29 -10.107 -5.588 2.639 228 HE ARG 29 HE ARG 29 -11.454 -7.704 1.520 229 1HH1 ARG 29 1HH1 ARG 29 -12.365 -4.598 2.853 230 2HH1 ARG 29 2HH1 ARG 29 -13.733 -4.407 1.811 231 1HH2 ARG 29 1HH2 ARG 29 -13.269 -7.464 0.149 232 2HH2 ARG 29 2HH2 ARG 29 -14.252 -6.039 0.275 233 H ILE 30 H ILE 30 -5.716 -7.089 4.357 234 HA ILE 30 HA ILE 30 -5.365 -8.472 1.859 235 HB ILE 30 HB ILE 30 -3.389 -6.735 3.352 236 1HG1 ILE 30 2HG1 ILE 30 -5.302 -6.022 1.114 237 2HG1 ILE 30 1HG1 ILE 30 -5.511 -5.569 2.803 238 1HG2 ILE 30 1HG2 ILE 30 -2.289 -8.131 1.715 239 2HG2 ILE 30 2HG2 ILE 30 -2.347 -6.471 1.120 240 3HG2 ILE 30 3HG2 ILE 30 -3.469 -7.674 0.487 241 1HD1 ILE 30 1HD1 ILE 30 -3.459 -4.250 2.700 242 2HD1 ILE 30 2HD1 ILE 30 -4.636 -3.722 1.497 243 3HD1 ILE 30 3HD1 ILE 30 -3.255 -4.703 1.008 244 H TYR 31 H TYR 31 -4.022 -8.696 5.108 245 HA TYR 31 HA TYR 31 -1.847 -10.367 4.518 246 1HB TYR 31 2HB TYR 31 -3.394 -9.981 7.075 247 2HB TYR 31 1HB TYR 31 -1.926 -10.941 6.967 248 HD1 TYR 31 1HD TYR 31 -2.523 -8.407 8.663 249 HD2 TYR 31 2HD TYR 31 -0.550 -9.008 4.941 250 HE1 TYR 31 1HE TYR 31 -1.179 -6.386 9.052 251 HE2 TYR 31 2HE TYR 31 0.795 -6.988 5.318 252 HH TYR 31 HH TYR 31 0.725 -4.932 6.602 253 H ASN 32 H ASN 32 -5.220 -11.159 4.837 254 HA ASN 32 HA ASN 32 -4.464 -13.980 5.070 255 1HB ASN 32 2HB ASN 32 -6.566 -14.496 5.955 256 2HB ASN 32 1HB ASN 32 -6.156 -12.957 6.690 257 1HD2 ASN 32 1HD2 ASN 32 -6.860 -11.454 4.231 258 2HD2 ASN 32 2HD2 ASN 32 -8.580 -11.462 4.170 259 H GLU 33 H GLU 33 -5.069 -11.869 2.654 260 HA GLU 33 HA GLU 33 -6.310 -13.917 0.932 261 1HB GLU 33 2HB GLU 33 -5.850 -10.980 0.357 262 2HB GLU 33 1HB GLU 33 -6.677 -12.118 -0.695 263 1HG GLU 33 2HG GLU 33 -7.607 -11.276 2.034 264 2HG GLU 33 1HG GLU 33 -8.208 -10.640 0.508 265 H ILE 34 H ILE 34 -3.489 -11.966 1.466 266 HA ILE 34 HA ILE 34 -2.216 -13.060 -0.933 267 HB ILE 34 HB ILE 34 -1.786 -10.553 0.647 268 1HG1 ILE 34 2HG1 ILE 34 -3.297 -10.583 -1.305 269 2HG1 ILE 34 1HG1 ILE 34 -1.915 -9.522 -1.548 270 1HG2 ILE 34 1HG2 ILE 34 0.439 -11.541 0.488 271 2HG2 ILE 34 2HG2 ILE 34 0.304 -10.120 -0.547 272 3HG2 ILE 34 3HG2 ILE 34 0.237 -11.734 -1.252 273 1HD1 ILE 34 1HD1 ILE 34 -2.289 -12.279 -2.688 274 2HD1 ILE 34 2HD1 ILE 34 -0.820 -11.318 -2.848 275 3HD1 ILE 34 3HD1 ILE 34 -2.330 -10.748 -3.562 276 H SER 35 H SER 35 -0.358 -14.174 -0.831 277 HA SER 35 HA SER 35 0.377 -15.350 1.691 278 1HB SER 35 2HB SER 35 0.296 -16.566 -0.541 279 2HB SER 35 1HB SER 35 1.764 -15.689 -0.972 280 HG SER 35 HG SER 35 2.749 -17.286 0.011 281 H LYS 36 H LYS 36 2.442 -15.228 2.628 282 HA LYS 36 HA LYS 36 3.760 -12.792 2.741 283 1HB LYS 36 2HB LYS 36 4.883 -15.558 3.232 284 2HB LYS 36 1HB LYS 36 5.677 -14.062 3.701 285 1HG LYS 36 2HG LYS 36 3.881 -13.538 5.227 286 2HG LYS 36 1HG LYS 36 2.982 -14.962 4.696 287 1HD LYS 36 2HD LYS 36 4.782 -16.400 5.509 288 2HD LYS 36 1HD LYS 36 5.681 -14.981 6.044 289 1HE LYS 36 2HE LYS 36 3.908 -14.436 7.617 290 2HE LYS 36 1HE LYS 36 2.961 -15.813 7.046 291 1HZ LYS 36 1HZ LYS 36 4.808 -17.264 7.768 292 2HZ LYS 36 2HZ LYS 36 4.076 -16.429 9.045 293 3HZ LYS 36 3HZ LYS 36 5.573 -15.913 8.454 294 H ASP 37 H ASP 37 4.116 -15.435 0.508 295 HA ASP 37 HA ASP 37 6.556 -14.761 -0.703 296 1HB ASP 37 2HB ASP 37 4.130 -15.998 -2.033 297 2HB ASP 37 1HB ASP 37 5.794 -16.092 -2.601 298 H ALA 38 H ALA 38 3.256 -14.065 -1.835 299 HA ALA 38 HA ALA 38 4.053 -12.389 -3.949 300 1HB ALA 38 1HB ALA 38 1.896 -13.462 -3.975 301 2HB ALA 38 2HB ALA 38 1.674 -11.712 -4.025 302 3HB ALA 38 3HB ALA 38 1.410 -12.592 -2.521 303 H TRP 39 H TRP 39 3.154 -11.724 -0.599 304 HA TRP 39 HA TRP 39 3.074 -8.928 -0.724 305 1HB TRP 39 2HB TRP 39 2.332 -10.244 1.229 306 2HB TRP 39 1HB TRP 39 3.999 -10.695 1.554 307 HD1 TRP 39 HD TRP 39 5.529 -8.934 2.786 308 HE1 TRP 39 1HE TRP 39 5.028 -6.725 4.008 309 HE3 TRP 39 3HE TRP 39 0.760 -8.145 1.124 310 HZ2 TRP 39 2HZ TRP 39 2.899 -4.897 4.235 311 HZ3 TRP 39 3HZ TRP 39 -0.438 -6.142 1.894 312 HH2 TRP 39 HH TRP 39 0.611 -4.553 3.418 313 H ALA 40 H ALA 40 5.769 -11.127 0.008 314 HA ALA 40 HA ALA 40 7.755 -9.181 0.323 315 1HB ALA 40 1HB ALA 40 8.056 -11.502 1.004 316 2HB ALA 40 2HB ALA 40 9.350 -10.984 -0.077 317 3HB ALA 40 3HB ALA 40 8.047 -12.005 -0.686 318 H GLN 41 H GLN 41 6.802 -11.037 -2.561 319 HA GLN 41 HA GLN 41 8.661 -10.014 -4.360 320 1HB GLN 41 2HB GLN 41 5.784 -10.714 -4.975 321 2HB GLN 41 1HB GLN 41 7.101 -10.626 -6.133 322 1HG GLN 41 2HG GLN 41 8.206 -12.495 -4.957 323 2HG GLN 41 1HG GLN 41 6.801 -12.610 -3.895 324 1HE2 GLN 41 1HE2 GLN 41 4.960 -11.943 -6.093 325 2HE2 GLN 41 2HE2 GLN 41 4.844 -13.375 -7.052 326 H TRP 42 H TRP 42 5.438 -8.785 -3.534 327 HA TRP 42 HA TRP 42 5.475 -6.707 -5.450 328 1HB TRP 42 2HB TRP 42 3.370 -7.539 -4.588 329 2HB TRP 42 1HB TRP 42 3.808 -7.056 -2.952 330 HD1 TRP 42 HD TRP 42 2.515 -4.971 -2.262 331 HE1 TRP 42 1HE TRP 42 1.718 -2.820 -3.423 332 HE3 TRP 42 3HE TRP 42 4.226 -5.907 -6.991 333 HZ2 TRP 42 2HZ TRP 42 1.805 -1.672 -5.986 334 HZ3 TRP 42 3HZ TRP 42 3.829 -4.225 -8.741 335 HH2 TRP 42 HH TRP 42 2.642 -2.153 -8.246 336 H GLN 43 H GLN 43 5.958 -6.656 -1.912 337 HA GLN 43 HA GLN 43 6.370 -3.850 -1.875 338 1HB GLN 43 2HB GLN 43 6.956 -5.966 0.183 339 2HB GLN 43 1HB GLN 43 7.153 -4.243 0.472 340 1HG GLN 43 2HG GLN 43 4.575 -5.601 -0.287 341 2HG GLN 43 1HG GLN 43 5.032 -5.109 1.341 342 1HE2 GLN 43 1HE2 GLN 43 3.338 -3.698 1.601 343 2HE2 GLN 43 2HE2 GLN 43 3.209 -2.211 0.734 344 H HIS 44 H HIS 44 8.563 -6.564 -2.244 345 HA HIS 44 HA HIS 44 10.979 -5.153 -1.833 346 1HB HIS 44 2HB HIS 44 10.256 -7.593 -3.434 347 2HB HIS 44 1HB HIS 44 11.868 -6.902 -3.556 348 HD1 HIS 44 1HD HIS 44 10.198 -6.875 -0.215 349 HD2 HIS 44 2HD HIS 44 12.931 -9.199 -2.313 350 HE1 HIS 44 1HE HIS 44 11.217 -8.419 1.485 351 HE2 HIS 44 2HE HIS 44 12.753 -9.912 0.164 352 H LYS 45 H LYS 45 8.990 -5.681 -4.695 353 HA LYS 45 HA LYS 45 10.686 -4.262 -6.488 354 1HB LYS 45 2HB LYS 45 8.730 -6.031 -6.861 355 2HB LYS 45 1HB LYS 45 7.764 -4.575 -7.013 356 1HG LYS 45 2HG LYS 45 10.179 -5.263 -8.676 357 2HG LYS 45 1HG LYS 45 8.496 -5.413 -9.179 358 1HD LYS 45 2HD LYS 45 8.209 -2.998 -8.937 359 2HD LYS 45 1HD LYS 45 9.892 -2.849 -8.428 360 1HE LYS 45 2HE LYS 45 9.670 -2.257 -10.768 361 2HE LYS 45 1HE LYS 45 10.616 -3.735 -10.599 362 1HZ LYS 45 1HZ LYS 45 7.721 -3.670 -11.255 363 2HZ LYS 45 2HZ LYS 45 8.733 -5.025 -11.252 364 3HZ LYS 45 3HZ LYS 45 8.956 -3.805 -12.400 365 H GLN 46 H GLN 46 7.697 -3.460 -4.762 366 HA GLN 46 HA GLN 46 7.275 -0.930 -5.872 367 1HB GLN 46 2HB GLN 46 5.614 -2.266 -4.567 368 2HB GLN 46 1HB GLN 46 6.491 -1.851 -3.102 369 1HG GLN 46 2HG GLN 46 4.561 -0.437 -3.338 370 2HG GLN 46 1HG GLN 46 6.031 0.520 -3.516 371 1HE2 GLN 46 1HE2 GLN 46 4.903 2.125 -4.614 372 2HE2 GLN 46 2HE2 GLN 46 4.358 1.934 -6.247 373 H THR 47 H THR 47 8.835 -1.807 -2.778 374 HA THR 47 HA THR 47 9.518 0.793 -1.993 375 HB THR 47 HB THR 47 11.070 -1.731 -1.375 376 HG1 THR 47 1HG THR 47 9.065 -2.174 -0.648 377 1HG2 THR 47 1HG2 THR 47 10.785 0.853 0.167 378 2HG2 THR 47 2HG2 THR 47 12.210 0.360 -0.747 379 3HG2 THR 47 3HG2 THR 47 11.711 -0.564 0.669 380 H MET 48 H MET 48 11.189 -1.531 -4.044 381 HA MET 48 HA MET 48 13.597 -0.160 -4.421 382 1HB MET 48 2HB MET 48 13.294 -2.445 -5.169 383 2HB MET 48 1HB MET 48 12.030 -1.952 -6.285 384 1HG MET 48 2HG MET 48 13.694 -0.653 -7.554 385 2HG MET 48 1HG MET 48 14.949 -1.239 -6.461 386 1HE MET 48 1HE MET 48 16.323 -2.119 -8.566 387 2HE MET 48 2HE MET 48 15.049 -1.556 -9.648 388 3HE MET 48 3HE MET 48 15.654 -3.206 -9.781 389 H LEU 49 H LEU 49 10.541 0.015 -6.219 390 HA LEU 49 HA LEU 49 11.432 1.902 -8.123 391 1HB LEU 49 2HB LEU 49 8.661 1.188 -7.184 392 2HB LEU 49 1HB LEU 49 8.984 2.262 -8.529 393 HG LEU 49 HG LEU 49 9.593 -0.679 -8.344 394 1HD1 LEU 49 1HD1 LEU 49 8.141 -0.794 -10.315 395 2HD1 LEU 49 2HD1 LEU 49 7.855 0.943 -10.196 396 3HD1 LEU 49 3HD1 LEU 49 7.307 -0.133 -8.911 397 1HD2 LEU 49 1HD2 LEU 49 10.480 1.328 -10.407 398 2HD2 LEU 49 2HD2 LEU 49 10.494 -0.414 -10.661 399 3HD2 LEU 49 3HD2 LEU 49 11.498 0.301 -9.400 400 H ILE 50 H ILE 50 9.889 2.254 -4.981 401 HA ILE 50 HA ILE 50 9.319 5.005 -5.127 402 HB ILE 50 HB ILE 50 10.018 3.355 -2.689 403 1HG1 ILE 50 2HG1 ILE 50 7.332 4.140 -3.839 404 2HG1 ILE 50 1HG1 ILE 50 8.064 2.546 -3.983 405 1HG2 ILE 50 1HG2 ILE 50 8.681 6.050 -2.892 406 2HG2 ILE 50 2HG2 ILE 50 10.283 5.728 -2.231 407 3HG2 ILE 50 3HG2 ILE 50 8.850 5.103 -1.414 408 1HD1 ILE 50 1HD1 ILE 50 7.979 2.308 -1.545 409 2HD1 ILE 50 2HD1 ILE 50 6.382 2.568 -2.247 410 3HD1 ILE 50 3HD1 ILE 50 7.213 3.892 -1.429 411 H ASN 51 H ASN 51 12.242 3.262 -4.220 412 HA ASN 51 HA ASN 51 13.641 5.655 -3.439 413 1HB ASN 51 2HB ASN 51 14.424 2.774 -3.739 414 2HB ASN 51 1HB ASN 51 15.655 4.015 -3.530 415 1HD2 ASN 51 1HD2 ASN 51 13.043 2.282 -2.046 416 2HD2 ASN 51 2HD2 ASN 51 13.360 2.806 -0.427 417 H GLU 52 H GLU 52 13.466 3.565 -6.247 418 HA GLU 52 HA GLU 52 15.565 4.656 -7.743 419 1HB GLU 52 2HB GLU 52 14.437 2.575 -8.363 420 2HB GLU 52 1HB GLU 52 12.953 3.459 -8.677 421 1HG GLU 52 2HG GLU 52 14.118 4.692 -10.472 422 2HG GLU 52 1HG GLU 52 15.535 3.679 -10.202 423 H LYS 53 H LYS 53 12.095 5.424 -7.807 424 HA LYS 53 HA LYS 53 12.595 7.635 -9.631 425 1HB LYS 53 2HB LYS 53 10.039 6.439 -8.560 426 2HB LYS 53 1HB LYS 53 10.104 7.767 -9.713 427 1HG LYS 53 2HG LYS 53 11.186 6.363 -11.341 428 2HG LYS 53 1HG LYS 53 11.294 5.042 -10.175 429 1HD LYS 53 2HD LYS 53 8.687 6.246 -11.082 430 2HD LYS 53 1HD LYS 53 9.434 4.853 -11.863 431 1HE LYS 53 2HE LYS 53 9.439 3.745 -9.597 432 2HE LYS 53 1HE LYS 53 8.431 5.074 -9.032 433 1HZ LYS 53 1HZ LYS 53 7.064 3.213 -9.661 434 2HZ LYS 53 2HZ LYS 53 7.763 3.160 -11.199 435 3HZ LYS 53 3HZ LYS 53 6.807 4.478 -10.753 436 H LYS 54 H LYS 54 12.649 7.289 -6.367 437 HA LYS 54 HA LYS 54 12.580 8.715 -4.596 438 1HB LYS 54 2HB LYS 54 12.846 10.807 -6.765 439 2HB LYS 54 1HB LYS 54 13.116 11.083 -5.051 440 1HG LYS 54 2HG LYS 54 14.704 9.205 -6.789 441 2HG LYS 54 1HG LYS 54 15.208 10.820 -6.289 442 1HD LYS 54 2HD LYS 54 15.100 10.094 -3.933 443 2HD LYS 54 1HD LYS 54 14.668 8.470 -4.473 444 1HE LYS 54 2HE LYS 54 17.230 9.936 -5.097 445 2HE LYS 54 1HE LYS 54 17.044 8.606 -3.956 446 1HZ LYS 54 1HZ LYS 54 16.328 7.209 -5.836 447 2HZ LYS 54 2HZ LYS 54 17.915 7.772 -6.004 448 3HZ LYS 54 3HZ LYS 54 16.669 8.483 -6.897 449 H LEU 55 H LEU 55 10.137 7.824 -5.273 450 HA LEU 55 HA LEU 55 8.202 9.819 -5.836 451 1HB LEU 55 2HB LEU 55 7.831 7.175 -4.428 452 2HB LEU 55 1HB LEU 55 6.558 8.155 -5.128 453 HG LEU 55 HG LEU 55 8.769 6.773 -6.651 454 1HD1 LEU 55 1HD1 LEU 55 7.149 5.201 -5.814 455 2HD1 LEU 55 2HD1 LEU 55 6.913 5.411 -7.549 456 3HD1 LEU 55 3HD1 LEU 55 5.821 6.196 -6.406 457 1HD2 LEU 55 1HD2 LEU 55 8.160 8.835 -7.758 458 2HD2 LEU 55 2HD2 LEU 55 6.447 8.443 -7.617 459 3HD2 LEU 55 3HD2 LEU 55 7.490 7.468 -8.651 460 H ASN 56 H ASN 56 7.668 11.463 -4.547 461 HA ASN 56 HA ASN 56 8.106 11.258 -1.685 462 1HB ASN 56 2HB ASN 56 7.751 13.596 -1.555 463 2HB ASN 56 1HB ASN 56 8.642 13.352 -3.050 464 1HD2 ASN 56 1HD2 ASN 56 7.663 13.811 -5.000 465 2HD2 ASN 56 2HD2 ASN 56 6.134 14.618 -5.111 466 H MET 57 H MET 57 6.549 11.221 -0.140 467 HA MET 57 HA MET 57 3.856 10.551 -1.079 468 1HB MET 57 2HB MET 57 5.116 10.170 1.645 469 2HB MET 57 1HB MET 57 3.519 9.609 1.166 470 1HG MET 57 2HG MET 57 6.146 8.695 0.017 471 2HG MET 57 1HG MET 57 5.112 7.789 1.122 472 1HE MET 57 1HE MET 57 4.886 5.960 -2.410 473 2HE MET 57 2HE MET 57 5.432 5.806 -0.739 474 3HE MET 57 3HE MET 57 6.275 6.889 -1.846 475 H MET 58 H MET 58 5.243 13.247 -0.604 476 HA MET 58 HA MET 58 3.663 14.506 1.449 477 1HB MET 58 2HB MET 58 5.386 15.740 -0.715 478 2HB MET 58 1HB MET 58 4.781 16.556 0.721 479 1HG MET 58 2HG MET 58 6.128 15.169 2.142 480 2HG MET 58 1HG MET 58 6.636 14.190 0.770 481 1HE MET 58 1HE MET 58 9.176 14.401 1.200 482 2HE MET 58 2HE MET 58 8.791 15.236 2.704 483 3HE MET 58 3HE MET 58 9.986 15.915 1.600 484 H ASN 59 H ASN 59 3.747 14.377 -2.069 485 HA ASN 59 HA ASN 59 1.239 15.816 -2.294 486 1HB ASN 59 2HB ASN 59 3.168 14.625 -4.261 487 2HB ASN 59 1HB ASN 59 1.529 15.010 -4.770 488 1HD2 ASN 59 1HD2 ASN 59 2.271 16.560 -6.199 489 2HD2 ASN 59 2HD2 ASN 59 2.841 18.105 -5.650 490 H ALA 60 H ALA 60 -0.719 14.938 -2.747 491 HA ALA 60 HA ALA 60 -1.291 12.327 -1.905 492 1HB ALA 60 1HB ALA 60 -3.534 12.711 -2.790 493 2HB ALA 60 2HB ALA 60 -2.955 14.121 -3.677 494 3HB ALA 60 3HB ALA 60 -2.952 14.127 -1.914 495 H GLU 61 H GLU 61 -0.320 13.591 -4.962 496 HA GLU 61 HA GLU 61 -1.169 11.806 -6.840 497 1HB GLU 61 2HB GLU 61 1.651 12.872 -6.614 498 2HB GLU 61 1HB GLU 61 0.896 12.251 -8.073 499 1HG GLU 61 2HG GLU 61 -0.666 14.101 -8.084 500 2HG GLU 61 1HG GLU 61 0.012 14.701 -6.569 501 H HIS 62 H HIS 62 1.870 11.453 -4.999 502 HA HIS 62 HA HIS 62 2.200 8.809 -6.134 503 1HB HIS 62 2HB HIS 62 4.026 10.231 -4.201 504 2HB HIS 62 1HB HIS 62 4.414 8.823 -5.181 505 HD1 HIS 62 1HD HIS 62 4.392 9.319 -7.879 506 HD2 HIS 62 2HD HIS 62 4.613 12.606 -5.345 507 HE1 HIS 62 1HE HIS 62 5.196 11.226 -9.308 508 HE2 HIS 62 2HE HIS 62 5.392 13.184 -7.738 509 H ARG 63 H ARG 63 1.039 10.191 -3.221 510 HA ARG 63 HA ARG 63 1.475 7.962 -1.519 511 1HB ARG 63 2HB ARG 63 0.950 10.200 -0.649 512 2HB ARG 63 1HB ARG 63 -0.638 10.127 -1.394 513 1HG ARG 63 2HG ARG 63 -0.744 9.699 1.001 514 2HG ARG 63 1HG ARG 63 -1.267 8.296 0.070 515 1HD ARG 63 2HD ARG 63 1.592 8.312 0.687 516 2HD ARG 63 1HD ARG 63 0.557 8.266 2.114 517 HE ARG 63 HE ARG 63 -0.434 6.355 0.353 518 1HH1 ARG 63 1HH1 ARG 63 2.544 6.935 2.121 519 2HH1 ARG 63 2HH1 ARG 63 2.908 5.249 2.289 520 1HH2 ARG 63 1HH2 ARG 63 0.042 4.143 0.604 521 2HH2 ARG 63 2HH2 ARG 63 1.511 3.671 1.412 522 H LYS 64 H LYS 64 -1.483 9.080 -3.211 523 HA LYS 64 HA LYS 64 -2.852 6.643 -2.745 524 1HB LYS 64 2HB LYS 64 -4.572 7.452 -4.173 525 2HB LYS 64 1HB LYS 64 -3.966 8.835 -3.279 526 1HG LYS 64 2HG LYS 64 -2.642 9.499 -5.245 527 2HG LYS 64 1HG LYS 64 -3.320 8.134 -6.136 528 1HD LYS 64 2HD LYS 64 -5.576 9.049 -5.798 529 2HD LYS 64 1HD LYS 64 -4.883 10.424 -4.939 530 1HE LYS 64 2HE LYS 64 -5.355 11.098 -7.185 531 2HE LYS 64 1HE LYS 64 -3.607 10.985 -6.998 532 1HZ LYS 64 1HZ LYS 64 -3.624 8.882 -8.124 533 2HZ LYS 64 2HZ LYS 64 -4.426 10.019 -9.086 534 3HZ LYS 64 3HZ LYS 64 -5.313 8.880 -8.208 535 H LEU 65 H LEU 65 -0.531 7.667 -5.068 536 HA LEU 65 HA LEU 65 -0.865 5.826 -7.119 537 1HB LEU 65 2HB LEU 65 0.803 7.559 -7.240 538 2HB LEU 65 1HB LEU 65 1.645 6.910 -5.848 539 HG LEU 65 HG LEU 65 2.185 4.878 -7.200 540 1HD1 LEU 65 1HD1 LEU 65 1.083 6.538 -9.459 541 2HD1 LEU 65 2HD1 LEU 65 0.401 5.034 -8.845 542 3HD1 LEU 65 3HD1 LEU 65 1.979 5.030 -9.631 543 1HD2 LEU 65 1HD2 LEU 65 3.769 6.729 -6.890 544 2HD2 LEU 65 2HD2 LEU 65 3.134 7.501 -8.344 545 3HD2 LEU 65 3HD2 LEU 65 3.959 5.947 -8.459 546 H LEU 66 H LEU 66 0.981 5.469 -4.101 547 HA LEU 66 HA LEU 66 1.784 2.814 -4.487 548 1HB LEU 66 2HB LEU 66 2.440 4.635 -2.699 549 2HB LEU 66 1HB LEU 66 1.179 3.871 -1.754 550 HG LEU 66 HG LEU 66 3.577 2.410 -2.870 551 1HD1 LEU 66 1HD1 LEU 66 4.425 2.440 -0.566 552 2HD1 LEU 66 2HD1 LEU 66 3.094 3.501 -0.102 553 3HD1 LEU 66 3HD1 LEU 66 4.305 4.057 -1.257 554 1HD2 LEU 66 1HD2 LEU 66 2.942 0.654 -1.299 555 2HD2 LEU 66 2HD2 LEU 66 1.644 0.975 -2.449 556 3HD2 LEU 66 3HD2 LEU 66 1.536 1.597 -0.802 557 H GLU 67 H GLU 67 -1.032 4.170 -2.784 558 HA GLU 67 HA GLU 67 -2.255 1.808 -1.978 559 1HB GLU 67 2HB GLU 67 -3.235 4.536 -2.647 560 2HB GLU 67 1HB GLU 67 -4.435 3.258 -2.553 561 1HG GLU 67 2HG GLU 67 -4.218 4.462 -0.446 562 2HG GLU 67 1HG GLU 67 -3.788 2.761 -0.280 563 H GLN 68 H GLN 68 -2.774 3.575 -5.023 564 HA GLN 68 HA GLN 68 -4.604 1.804 -6.166 565 1HB GLN 68 2HB GLN 68 -2.582 3.598 -7.509 566 2HB GLN 68 1HB GLN 68 -3.910 2.799 -8.334 567 1HG GLN 68 2HG GLN 68 -5.525 4.100 -7.242 568 2HG GLN 68 1HG GLN 68 -4.372 4.667 -6.036 569 1HE2 GLN 68 1HE2 GLN 68 -2.293 5.153 -8.031 570 2HE2 GLN 68 2HE2 GLN 68 -2.748 6.602 -8.853 571 H GLU 69 H GLU 69 -1.054 1.941 -6.560 572 HA GLU 69 HA GLU 69 -0.864 -0.226 -8.338 573 1HB GLU 69 2HB GLU 69 1.169 0.778 -6.332 574 2HB GLU 69 1HB GLU 69 1.516 -0.360 -7.625 575 1HG GLU 69 2HG GLU 69 0.782 1.407 -9.247 576 2HG GLU 69 1HG GLU 69 0.721 2.528 -7.886 577 H MET 70 H MET 70 -0.742 -0.084 -4.813 578 HA MET 70 HA MET 70 -0.061 -2.757 -4.321 579 1HB MET 70 2HB MET 70 0.023 -1.059 -2.579 580 2HB MET 70 1HB MET 70 -1.723 -0.861 -2.654 581 1HG MET 70 2HG MET 70 -1.964 -3.223 -1.936 582 2HG MET 70 1HG MET 70 -0.214 -3.298 -1.740 583 1HE MET 70 1HE MET 70 0.400 -0.773 1.179 584 2HE MET 70 2HE MET 70 0.461 -0.414 -0.545 585 3HE MET 70 3HE MET 70 1.133 -1.928 0.064 586 H VAL 71 H VAL 71 -3.271 -1.216 -4.397 587 HA VAL 71 HA VAL 71 -4.750 -3.553 -3.916 588 HB VAL 71 HB VAL 71 -5.600 -1.067 -5.419 589 1HG1 VAL 71 1HG1 VAL 71 -7.307 -3.185 -4.113 590 2HG1 VAL 71 2HG1 VAL 71 -7.068 -3.001 -5.850 591 3HG1 VAL 71 3HG1 VAL 71 -7.881 -1.733 -4.931 592 1HG2 VAL 71 1HG2 VAL 71 -5.923 -1.827 -2.517 593 2HG2 VAL 71 2HG2 VAL 71 -6.583 -0.382 -3.282 594 3HG2 VAL 71 3HG2 VAL 71 -4.836 -0.591 -3.152 595 H SER 72 H SER 72 -3.462 -2.181 -6.881 596 HA SER 72 HA SER 72 -4.955 -3.740 -8.692 597 1HB SER 72 2HB SER 72 -2.212 -2.512 -9.037 598 2HB SER 72 1HB SER 72 -3.244 -3.099 -10.341 599 HG SER 72 HG SER 72 -3.663 -0.897 -8.609 600 H PHE 73 H PHE 73 -1.932 -4.361 -6.995 601 HA PHE 73 HA PHE 73 -1.456 -6.741 -8.606 602 1HB PHE 73 2HB PHE 73 0.404 -5.184 -8.103 603 2HB PHE 73 1HB PHE 73 0.223 -5.556 -6.392 604 HD1 PHE 73 1HD PHE 73 1.262 -6.862 -9.656 605 HD2 PHE 73 2HD PHE 73 1.046 -7.607 -5.474 606 HE1 PHE 73 1HE PHE 73 2.811 -8.753 -9.917 607 HE2 PHE 73 2HE PHE 73 2.598 -9.499 -5.727 608 HZ PHE 73 HZ PHE 73 3.482 -10.073 -7.949 609 H LEU 74 H LEU 74 -1.994 -5.889 -5.197 610 HA LEU 74 HA LEU 74 -1.713 -8.638 -4.370 611 1HB LEU 74 2HB LEU 74 -2.505 -6.154 -2.861 612 2HB LEU 74 1HB LEU 74 -2.306 -7.728 -2.119 613 HG LEU 74 HG LEU 74 -0.136 -6.117 -3.473 614 1HD1 LEU 74 1HD1 LEU 74 0.792 -5.898 -1.246 615 2HD1 LEU 74 2HD1 LEU 74 -0.543 -6.833 -0.573 616 3HD1 LEU 74 3HD1 LEU 74 -0.848 -5.251 -1.287 617 1HD2 LEU 74 1HD2 LEU 74 0.201 -8.515 -3.801 618 2HD2 LEU 74 2HD2 LEU 74 0.016 -8.785 -2.070 619 3HD2 LEU 74 3HD2 LEU 74 1.386 -7.855 -2.675 620 H PHE 75 H PHE 75 -4.385 -6.308 -4.531 621 HA PHE 75 HA PHE 75 -6.275 -8.361 -3.695 622 1HB PHE 75 2HB PHE 75 -6.416 -5.998 -2.857 623 2HB PHE 75 1HB PHE 75 -6.804 -5.487 -4.493 624 HD1 PHE 75 1HD PHE 75 -7.997 -7.358 -1.571 625 HD2 PHE 75 2HD PHE 75 -8.978 -5.803 -5.407 626 HE1 PHE 75 1HE PHE 75 -10.381 -7.765 -1.122 627 HE2 PHE 75 2HE PHE 75 -11.364 -6.208 -4.967 628 HZ PHE 75 HZ PHE 75 -12.066 -7.188 -2.821 629 H GLU 76 H GLU 76 -5.517 -6.371 -6.478 630 HA GLU 76 HA GLU 76 -6.077 -6.403 -8.652 631 1HB GLU 76 2HB GLU 76 -5.165 -8.724 -8.491 632 2HB GLU 76 1HB GLU 76 -6.805 -9.306 -8.238 633 1HG GLU 76 2HG GLU 76 -7.428 -8.307 -10.423 634 2HG GLU 76 1HG GLU 76 -5.730 -7.911 -10.674 635 H GLY 77 H GLY 77 -7.757 -4.995 -8.530 636 1HA GLY 77 2HA GLY 77 -10.190 -5.533 -9.529 637 2HA GLY 77 1HA GLY 77 -10.409 -5.925 -7.831 638 H LYS 78 H LYS 78 -8.513 -3.339 -9.341 639 HA LYS 78 HA LYS 78 -10.016 -1.428 -7.707 640 1HB LYS 78 2HB LYS 78 -8.173 0.161 -8.223 641 2HB LYS 78 1HB LYS 78 -7.644 -1.273 -7.360 642 1HG LYS 78 2HG LYS 78 -5.986 -1.029 -8.920 643 2HG LYS 78 1HG LYS 78 -7.061 -2.157 -9.738 644 1HD LYS 78 2HD LYS 78 -8.030 -0.335 -11.021 645 2HD LYS 78 1HD LYS 78 -7.024 0.826 -10.157 646 1HE LYS 78 2HE LYS 78 -6.065 0.360 -12.330 647 2HE LYS 78 1HE LYS 78 -5.015 -0.264 -11.061 648 1HZ LYS 78 1HZ LYS 78 -6.902 -1.862 -12.707 649 2HZ LYS 78 2HZ LYS 78 -5.943 -2.477 -11.458 650 3HZ LYS 78 3HZ LYS 78 -5.218 -1.850 -12.849 651 H ASP 79 H ASP 79 -11.199 0.180 -8.545 652 HA ASP 79 HA ASP 79 -11.713 0.109 -11.409 653 1HB ASP 79 2HB ASP 79 -13.038 1.566 -9.121 654 2HB ASP 79 1HB ASP 79 -13.474 1.848 -10.801 655 H VAL 80 H VAL 80 -10.232 2.095 -8.993 656 HA VAL 80 HA VAL 80 -10.091 4.498 -10.500 657 HB VAL 80 HB VAL 80 -8.369 3.638 -8.168 658 1HG1 VAL 80 1HG1 VAL 80 -7.446 5.528 -9.381 659 2HG1 VAL 80 2HG1 VAL 80 -8.065 6.046 -7.813 660 3HG1 VAL 80 3HG1 VAL 80 -8.991 6.372 -9.279 661 1HG2 VAL 80 1HG2 VAL 80 -10.735 3.518 -7.594 662 2HG2 VAL 80 2HG2 VAL 80 -10.971 5.165 -8.180 663 3HG2 VAL 80 3HG2 VAL 80 -9.957 4.868 -6.768 664 H HIS 81 H HIS 81 -8.973 4.630 -12.348 665 HA HIS 81 HA HIS 81 -6.724 2.927 -12.870 666 1HB HIS 81 2HB HIS 81 -8.049 5.125 -14.440 667 2HB HIS 81 1HB HIS 81 -6.551 4.375 -14.989 668 HD1 HIS 81 1HD HIS 81 -9.731 4.180 -16.054 669 HD2 HIS 81 2HD HIS 81 -7.276 1.249 -14.426 670 HE1 HIS 81 1HE HIS 81 -10.693 1.987 -16.816 671 HE2 HIS 81 2HE HIS 81 -9.054 0.254 -16.013 672 H ILE 82 H ILE 82 -4.584 3.606 -13.319 673 HA ILE 82 HA ILE 82 -3.805 5.499 -11.247 674 HB ILE 82 HB ILE 82 -2.069 3.507 -12.703 675 1HG1 ILE 82 2HG1 ILE 82 -3.535 3.218 -10.072 676 2HG1 ILE 82 1HG1 ILE 82 -3.950 2.388 -11.563 677 1HG2 ILE 82 1HG2 ILE 82 -1.711 4.996 -10.104 678 2HG2 ILE 82 2HG2 ILE 82 -0.827 5.277 -11.604 679 3HG2 ILE 82 3HG2 ILE 82 -0.619 3.760 -10.728 680 1HD1 ILE 82 1HD1 ILE 82 -1.393 2.051 -10.012 681 2HD1 ILE 82 2HD1 ILE 82 -1.815 1.210 -11.504 682 3HD1 ILE 82 3HD1 ILE 82 -2.754 0.929 -10.036 683 H GLU 83 H GLU 83 -4.065 7.447 -12.371 684 HA GLU 83 HA GLU 83 -3.280 9.297 -13.410 685 1HB GLU 83 2HB GLU 83 -1.236 8.465 -12.090 686 2HB GLU 83 1HB GLU 83 -0.610 7.926 -13.642 687 1HG GLU 83 2HG GLU 83 -0.851 10.261 -14.471 688 2HG GLU 83 1HG GLU 83 -1.289 10.741 -12.831 689 H GLY 84 H GLY 84 -4.115 6.831 -15.038 690 1HA GLY 84 2HA GLY 84 -2.669 7.064 -17.508 691 2HA GLY 84 1HA GLY 84 -4.163 6.170 -17.255 692 H TYR 85 H TYR 85 -6.040 7.794 -16.663 693 HA TYR 85 HA TYR 85 -5.928 10.040 -18.555 694 1HB TYR 85 2HB TYR 85 -8.206 8.139 -17.993 695 2HB TYR 85 1HB TYR 85 -8.435 9.684 -18.806 696 HD1 TYR 85 1HD TYR 85 -7.507 10.066 -21.031 697 HD2 TYR 85 2HD TYR 85 -7.157 6.276 -19.130 698 HE1 TYR 85 1HE TYR 85 -6.907 9.047 -23.185 699 HE2 TYR 85 2HE TYR 85 -6.555 5.248 -21.282 700 HH TYR 85 HH TYR 85 -5.609 7.002 -23.950 701 H THR 86 H THR 86 -6.884 11.956 -17.915 702 HA THR 86 HA THR 86 -7.717 12.084 -15.101 703 HB THR 86 HB THR 86 -5.916 14.109 -16.440 704 HG1 THR 86 1HG THR 86 -5.293 11.701 -15.495 705 1HG2 THR 86 1HG2 THR 86 -6.722 13.717 -13.556 706 2HG2 THR 86 2HG2 THR 86 -7.267 15.014 -14.619 707 3HG2 THR 86 3HG2 THR 86 -5.570 14.915 -14.144 708 HA PRO 87 HA PRO 87 -11.024 14.372 -17.234 709 1HB PRO 87 2HB PRO 87 -12.337 14.073 -14.628 710 2HB PRO 87 1HB PRO 87 -12.883 13.536 -16.218 711 1HG PRO 87 2HG PRO 87 -12.069 11.802 -14.320 712 2HG PRO 87 1HG PRO 87 -11.807 11.505 -16.047 713 1HD PRO 87 2HD PRO 87 -9.879 12.506 -13.982 714 2HD PRO 87 1HD PRO 87 -9.620 11.336 -15.296 715 H GLU 88 H GLU 88 -11.643 16.528 -16.994 716 HA GLU 88 HA GLU 88 -10.062 18.047 -15.125 717 1HB GLU 88 2HB GLU 88 -11.794 18.761 -17.443 718 2HB GLU 88 1HB GLU 88 -11.418 19.997 -16.246 719 1HG GLU 88 2HG GLU 88 -9.402 18.366 -17.770 720 2HG GLU 88 1HG GLU 88 -9.859 20.032 -18.129 721 H ASP 89 H ASP 89 -11.047 17.045 -13.325 722 HA ASP 89 HA ASP 89 -12.939 18.854 -12.143 723 1HB ASP 89 2HB ASP 89 -14.388 17.075 -13.201 724 2HB ASP 89 1HB ASP 89 -13.589 15.896 -12.167 725 H LYS 90 H LYS 90 -11.506 19.397 -10.604 726 HA LYS 90 HA LYS 90 -9.606 17.554 -9.567 727 1HB LYS 90 2HB LYS 90 -10.342 20.362 -8.747 728 2HB LYS 90 1HB LYS 90 -9.078 19.438 -7.956 729 1HG LYS 90 2HG LYS 90 -7.977 20.830 -9.496 730 2HG LYS 90 1HG LYS 90 -7.985 19.229 -10.232 731 1HD LYS 90 2HD LYS 90 -9.808 19.846 -11.680 732 2HD LYS 90 1HD LYS 90 -9.983 21.399 -10.863 733 1HE LYS 90 2HE LYS 90 -8.816 21.713 -12.953 734 2HE LYS 90 1HE LYS 90 -7.715 22.020 -11.613 735 1HZ LYS 90 1HZ LYS 90 -7.832 19.569 -13.287 736 2HZ LYS 90 2HZ LYS 90 -6.857 19.740 -11.920 737 3HZ LYS 90 3HZ LYS 90 -6.598 20.726 -13.267 738 H LYS 91 H LYS 91 -10.424 15.895 -8.495 739 HA LYS 91 HA LYS 91 -12.491 16.302 -6.486 740 1HB LYS 91 2HB LYS 91 -12.693 14.467 -8.143 741 2HB LYS 91 1HB LYS 91 -11.227 13.746 -7.497 742 1HG LYS 91 2HG LYS 91 -12.316 13.406 -5.355 743 2HG LYS 91 1HG LYS 91 -13.783 14.177 -5.963 744 1HD LYS 91 2HD LYS 91 -12.535 11.668 -7.089 745 2HD LYS 91 1HD LYS 91 -13.918 11.712 -5.995 746 1HE LYS 91 2HE LYS 91 -15.163 13.034 -7.672 747 2HE LYS 91 1HE LYS 91 -13.789 12.904 -8.768 748 1HZ LYS 91 1HZ LYS 91 -15.517 11.276 -9.260 749 2HZ LYS 91 2HZ LYS 91 -15.352 10.610 -7.714 750 3HZ LYS 91 3HZ LYS 91 -14.072 10.520 -8.814 Start of MODEL 19 1 1H MET 1 1HT MET 1 0.762 -24.664 14.249 2 2H MET 1 2HT MET 1 1.460 -25.317 12.857 3 3H MET 1 3HT MET 1 -0.198 -24.982 12.896 4 HA MET 1 HA MET 1 0.229 -22.634 13.083 5 1HB MET 1 2HB MET 1 3.124 -23.495 12.889 6 2HB MET 1 1HB MET 1 2.574 -21.835 12.715 7 1HG MET 1 2HG MET 1 1.652 -21.940 15.004 8 2HG MET 1 1HG MET 1 2.323 -23.560 15.166 9 1HE MET 1 1HE MET 1 6.157 -22.942 15.103 10 2HE MET 1 2HE MET 1 5.137 -23.369 13.730 11 3HE MET 1 3HE MET 1 4.859 -24.120 15.302 12 H SER 2 H SER 2 0.226 -25.116 11.118 13 HA SER 2 HA SER 2 1.137 -23.795 8.699 14 1HB SER 2 2HB SER 2 -0.183 -26.497 9.059 15 2HB SER 2 1HB SER 2 0.591 -25.905 7.590 16 HG SER 2 HG SER 2 1.704 -26.979 9.856 17 H ARG 3 H ARG 3 -0.287 -22.079 8.493 18 HA ARG 3 HA ARG 3 -3.147 -22.672 8.355 19 1HB ARG 3 2HB ARG 3 -2.371 -20.735 9.708 20 2HB ARG 3 1HB ARG 3 -1.727 -20.005 8.247 21 1HG ARG 3 2HG ARG 3 -3.997 -19.933 7.303 22 2HG ARG 3 1HG ARG 3 -4.625 -20.601 8.810 23 1HD ARG 3 2HD ARG 3 -3.171 -17.982 8.474 24 2HD ARG 3 1HD ARG 3 -4.893 -18.194 8.789 25 HE ARG 3 HE ARG 3 -3.960 -19.391 10.911 26 1HH1 ARG 3 1HH1 ARG 3 -2.757 -16.464 9.413 27 2HH1 ARG 3 2HH1 ARG 3 -2.105 -15.831 10.888 28 1HH2 ARG 3 1HH2 ARG 3 -3.093 -18.560 12.845 29 2HH2 ARG 3 2HH2 ARG 3 -2.266 -17.025 12.832 30 H THR 4 H THR 4 -3.337 -23.689 6.393 31 HA THR 4 HA THR 4 -2.175 -22.505 4.021 32 HB THR 4 HB THR 4 -4.047 -24.874 4.176 33 HG1 THR 4 1HG THR 4 -1.782 -25.916 3.950 34 1HG2 THR 4 1HG2 THR 4 -1.988 -24.023 2.136 35 2HG2 THR 4 2HG2 THR 4 -3.740 -23.967 1.938 36 3HG2 THR 4 3HG2 THR 4 -2.917 -25.519 2.085 37 H ILE 5 H ILE 5 -3.162 -20.890 3.007 38 HA ILE 5 HA ILE 5 -6.107 -20.853 2.955 39 HB ILE 5 HB ILE 5 -5.889 -18.341 2.677 40 1HG1 ILE 5 2HG1 ILE 5 -3.766 -17.454 3.892 41 2HG1 ILE 5 1HG1 ILE 5 -3.058 -19.005 3.467 42 1HG2 ILE 5 1HG2 ILE 5 -6.713 -19.334 4.717 43 2HG2 ILE 5 2HG2 ILE 5 -5.688 -17.951 5.100 44 3HG2 ILE 5 3HG2 ILE 5 -5.067 -19.591 5.293 45 1HD1 ILE 5 1HD1 ILE 5 -4.127 -16.953 1.540 46 2HD1 ILE 5 2HD1 ILE 5 -3.453 -18.521 1.097 47 3HD1 ILE 5 3HD1 ILE 5 -2.430 -17.309 1.867 48 H PHE 6 H PHE 6 -6.956 -19.544 1.083 49 HA PHE 6 HA PHE 6 -5.493 -20.287 -1.333 50 1HB PHE 6 2HB PHE 6 -7.881 -20.959 -1.103 51 2HB PHE 6 1HB PHE 6 -8.328 -19.259 -1.031 52 HD1 PHE 6 1HD PHE 6 -8.664 -18.021 -2.996 53 HD2 PHE 6 2HD PHE 6 -6.776 -21.830 -3.190 54 HE1 PHE 6 1HE PHE 6 -8.816 -17.972 -5.452 55 HE2 PHE 6 2HE PHE 6 -6.928 -21.789 -5.642 56 HZ PHE 6 HZ PHE 6 -7.947 -19.855 -6.776 57 H CYS 7 H CYS 7 -4.147 -18.783 -2.051 58 HA CYS 7 HA CYS 7 -4.553 -16.007 -1.322 59 1HB CYS 7 2HB CYS 7 -2.284 -15.721 -2.388 60 2HB CYS 7 1HB CYS 7 -2.335 -16.822 -1.014 61 HG CYS 7 HG CYS 7 -2.222 -19.144 -2.525 62 H THR 8 H THR 8 -4.930 -14.343 -2.700 63 HA THR 8 HA THR 8 -6.401 -14.875 -5.036 64 HB THR 8 HB THR 8 -5.145 -12.235 -4.265 65 HG1 THR 8 1HG THR 8 -7.004 -11.914 -3.009 66 1HG2 THR 8 1HG2 THR 8 -7.631 -12.907 -5.854 67 2HG2 THR 8 2HG2 THR 8 -6.123 -12.264 -6.507 68 3HG2 THR 8 3HG2 THR 8 -7.103 -11.281 -5.418 69 H TYR 9 H TYR 9 -3.130 -13.515 -4.638 70 HA TYR 9 HA TYR 9 -2.815 -12.972 -7.391 71 1HB TYR 9 2HB TYR 9 -1.612 -11.822 -5.510 72 2HB TYR 9 1HB TYR 9 -0.596 -13.253 -5.368 73 HD1 TYR 9 1HD TYR 9 -1.720 -10.753 -7.893 74 HD2 TYR 9 2HD TYR 9 1.390 -13.344 -6.587 75 HE1 TYR 9 1HE TYR 9 -0.241 -9.843 -9.630 76 HE2 TYR 9 2HE TYR 9 2.880 -12.444 -8.328 77 HH TYR 9 HH TYR 9 2.093 -9.627 -10.139 78 H LEU 10 H LEU 10 -1.944 -15.776 -5.446 79 HA LEU 10 HA LEU 10 -0.460 -16.882 -7.712 80 1HB LEU 10 2HB LEU 10 -0.737 -17.902 -4.889 81 2HB LEU 10 1HB LEU 10 0.247 -18.643 -6.136 82 HG LEU 10 HG LEU 10 0.671 -15.880 -4.994 83 1HD1 LEU 10 1HD1 LEU 10 1.183 -17.605 -3.367 84 2HD1 LEU 10 2HD1 LEU 10 2.665 -16.855 -3.959 85 3HD1 LEU 10 3HD1 LEU 10 2.185 -18.447 -4.549 86 1HD2 LEU 10 1HD2 LEU 10 2.325 -17.488 -6.938 87 2HD2 LEU 10 2HD2 LEU 10 2.784 -15.940 -6.228 88 3HD2 LEU 10 3HD2 LEU 10 1.397 -16.035 -7.310 89 H GLN 11 H GLN 11 -3.467 -17.238 -6.035 90 HA GLN 11 HA GLN 11 -5.304 -18.517 -6.406 91 1HB GLN 11 2HB GLN 11 -3.902 -18.910 -9.043 92 2HB GLN 11 1HB GLN 11 -5.461 -19.643 -8.700 93 1HG GLN 11 2HG GLN 11 -4.865 -16.691 -8.667 94 2HG GLN 11 1HG GLN 11 -5.673 -17.569 -9.967 95 1HE2 GLN 11 1HE2 GLN 11 -5.965 -16.274 -6.772 96 2HE2 GLN 11 2HE2 GLN 11 -7.673 -16.493 -6.617 97 H ARG 12 H ARG 12 -3.029 -19.660 -5.036 98 HA ARG 12 HA ARG 12 -3.828 -22.441 -5.253 99 1HB ARG 12 2HB ARG 12 -1.489 -23.248 -5.279 100 2HB ARG 12 1HB ARG 12 -1.927 -22.387 -6.747 101 1HG ARG 12 2HG ARG 12 -0.794 -20.377 -5.851 102 2HG ARG 12 1HG ARG 12 -0.278 -21.333 -4.461 103 1HD ARG 12 2HD ARG 12 0.920 -22.854 -5.945 104 2HD ARG 12 1HD ARG 12 0.392 -21.915 -7.340 105 HE ARG 12 HE ARG 12 1.983 -20.594 -5.262 106 1HH1 ARG 12 1HH1 ARG 12 1.781 -21.919 -8.496 107 2HH1 ARG 12 2HH1 ARG 12 3.182 -21.067 -9.069 108 1HH2 ARG 12 1HH2 ARG 12 3.853 -19.494 -6.015 109 2HH2 ARG 12 2HH2 ARG 12 4.353 -19.699 -7.664 110 H ASP 13 H ASP 13 -2.358 -23.692 -3.491 111 HA ASP 13 HA ASP 13 -3.208 -22.634 -1.002 112 1HB ASP 13 2HB ASP 13 -1.329 -24.915 -1.637 113 2HB ASP 13 1HB ASP 13 -1.917 -24.542 -0.023 114 H ALA 14 H ALA 14 -2.243 -21.228 0.282 115 HA ALA 14 HA ALA 14 0.682 -21.080 0.313 116 1HB ALA 14 1HB ALA 14 -0.116 -19.317 -1.217 117 2HB ALA 14 2HB ALA 14 0.679 -18.667 0.216 118 3HB ALA 14 3HB ALA 14 -1.080 -18.643 0.096 119 H GLU 15 H GLU 15 1.233 -19.338 2.168 120 HA GLU 15 HA GLU 15 -0.169 -20.423 4.489 121 1HB GLU 15 2HB GLU 15 1.789 -19.766 5.780 122 2HB GLU 15 1HB GLU 15 2.254 -20.751 4.403 123 1HG GLU 15 2HG GLU 15 2.866 -18.681 3.189 124 2HG GLU 15 1HG GLU 15 2.527 -17.768 4.659 125 H GLY 16 H GLY 16 -1.335 -19.237 5.815 126 1HA GLY 16 2HA GLY 16 -2.116 -16.607 5.104 127 2HA GLY 16 1HA GLY 16 -2.545 -17.448 6.587 128 H GLN 17 H GLN 17 -1.145 -14.774 5.469 129 HA GLN 17 HA GLN 17 1.220 -14.448 6.920 130 1HB GLN 17 2HB GLN 17 -0.741 -12.716 5.563 131 2HB GLN 17 1HB GLN 17 0.222 -11.926 6.796 132 1HG GLN 17 2HG GLN 17 1.610 -13.602 4.781 133 2HG GLN 17 1HG GLN 17 0.980 -12.035 4.279 134 1HE2 GLN 17 1HE2 GLN 17 2.085 -12.567 7.534 135 2HE2 GLN 17 2HE2 GLN 17 3.517 -11.612 7.411 136 H ASP 18 H ASP 18 1.234 -14.980 9.058 137 HA ASP 18 HA ASP 18 -0.851 -13.946 10.812 138 1HB ASP 18 2HB ASP 18 -0.048 -16.308 11.026 139 2HB ASP 18 1HB ASP 18 1.521 -15.685 11.523 140 H PHE 19 H PHE 19 -0.178 -11.726 10.409 141 HA PHE 19 HA PHE 19 1.726 -10.842 12.401 142 1HB PHE 19 2HB PHE 19 2.171 -10.460 9.461 143 2HB PHE 19 1HB PHE 19 2.716 -9.229 10.591 144 HD1 PHE 19 1HD PHE 19 4.352 -9.872 12.381 145 HD2 PHE 19 2HD PHE 19 3.419 -12.415 9.099 146 HE1 PHE 19 1HE PHE 19 6.429 -11.127 12.768 147 HE2 PHE 19 2HE PHE 19 5.493 -13.680 9.485 148 HZ PHE 19 HZ PHE 19 7.004 -13.035 11.320 149 H GLN 20 H GLN 20 0.793 -9.252 13.451 150 HA GLN 20 HA GLN 20 -0.659 -7.210 11.922 151 1HB GLN 20 2HB GLN 20 -1.565 -8.516 14.486 152 2HB GLN 20 1HB GLN 20 -2.204 -6.978 13.924 153 1HG GLN 20 2HG GLN 20 -2.365 -9.590 12.433 154 2HG GLN 20 1HG GLN 20 -3.667 -8.853 13.366 155 1HE2 GLN 20 1HE2 GLN 20 -3.538 -9.538 10.531 156 2HE2 GLN 20 2HE2 GLN 20 -3.844 -8.071 9.673 157 H LEU 21 H LEU 21 0.310 -5.305 12.214 158 HA LEU 21 HA LEU 21 1.941 -4.955 14.643 159 1HB LEU 21 2HB LEU 21 2.329 -3.685 11.925 160 2HB LEU 21 1HB LEU 21 3.332 -3.397 13.330 161 HG LEU 21 HG LEU 21 3.834 -5.935 13.230 162 1HD1 LEU 21 1HD1 LEU 21 2.104 -6.542 11.628 163 2HD1 LEU 21 2HD1 LEU 21 3.708 -6.905 10.990 164 3HD1 LEU 21 3HD1 LEU 21 2.835 -5.482 10.421 165 1HD2 LEU 21 1HD2 LEU 21 5.635 -5.544 11.613 166 2HD2 LEU 21 2HD2 LEU 21 5.470 -4.214 12.758 167 3HD2 LEU 21 3HD2 LEU 21 4.851 -4.045 11.116 168 H TYR 22 H TYR 22 1.054 -2.536 12.271 169 HA TYR 22 HA TYR 22 -0.405 -1.114 14.359 170 1HB TYR 22 2HB TYR 22 -0.006 0.919 12.851 171 2HB TYR 22 1HB TYR 22 1.345 0.281 13.772 172 HD1 TYR 22 1HD TYR 22 0.013 0.924 10.454 173 HD2 TYR 22 2HD TYR 22 3.135 -0.985 12.621 174 HE1 TYR 22 1HE TYR 22 1.353 0.784 8.398 175 HE2 TYR 22 2HE TYR 22 4.482 -1.127 10.572 176 HH TYR 22 HH TYR 22 4.213 -1.101 8.175 177 HA PRO 23 HA PRO 23 -3.402 -1.017 10.615 178 1HB PRO 23 2HB PRO 23 -3.343 -3.093 8.895 179 2HB PRO 23 1HB PRO 23 -2.382 -1.630 8.627 180 1HG PRO 23 2HG PRO 23 -1.544 -4.273 9.754 181 2HG PRO 23 1HG PRO 23 -0.702 -3.239 8.584 182 1HD PRO 23 2HD PRO 23 -0.077 -3.316 11.232 183 2HD PRO 23 1HD PRO 23 0.161 -1.879 10.221 184 H GLY 24 H GLY 24 -5.391 -2.365 10.264 185 1HA GLY 24 2HA GLY 24 -5.548 -4.529 12.264 186 2HA GLY 24 1HA GLY 24 -6.772 -3.271 12.163 187 H GLU 25 H GLU 25 -8.487 -3.637 10.943 188 HA GLU 25 HA GLU 25 -8.957 -6.189 9.890 189 1HB GLU 25 2HB GLU 25 -11.076 -5.204 9.034 190 2HB GLU 25 1HB GLU 25 -10.776 -4.885 10.737 191 1HG GLU 25 2HG GLU 25 -9.831 -2.650 10.001 192 2HG GLU 25 1HG GLU 25 -10.537 -2.995 8.423 193 H LEU 26 H LEU 26 -7.989 -3.195 8.300 194 HA LEU 26 HA LEU 26 -8.333 -4.133 5.641 195 1HB LEU 26 2HB LEU 26 -8.052 -1.745 6.192 196 2HB LEU 26 1HB LEU 26 -6.403 -2.060 6.702 197 HG LEU 26 HG LEU 26 -5.868 -2.778 4.379 198 1HD1 LEU 26 1HD1 LEU 26 -8.628 -1.736 3.770 199 2HD1 LEU 26 2HD1 LEU 26 -8.106 -3.417 3.670 200 3HD1 LEU 26 3HD1 LEU 26 -7.417 -2.211 2.581 201 1HD2 LEU 26 1HD2 LEU 26 -5.849 -0.515 3.435 202 2HD2 LEU 26 2HD2 LEU 26 -5.346 -0.530 5.127 203 3HD2 LEU 26 3HD2 LEU 26 -6.968 0.010 4.691 204 H GLY 27 H GLY 27 -5.664 -4.206 7.942 205 1HA GLY 27 2HA GLY 27 -3.753 -5.422 6.246 206 2HA GLY 27 1HA GLY 27 -3.734 -5.446 8.005 207 H LYS 28 H LYS 28 -6.001 -6.755 8.651 208 HA LYS 28 HA LYS 28 -5.401 -9.442 8.412 209 1HB LYS 28 2HB LYS 28 -8.092 -8.150 8.855 210 2HB LYS 28 1HB LYS 28 -7.764 -9.859 9.093 211 1HG LYS 28 2HG LYS 28 -6.175 -9.333 10.849 212 2HG LYS 28 1HG LYS 28 -6.430 -7.608 10.583 213 1HD LYS 28 2HD LYS 28 -8.785 -7.865 11.205 214 2HD LYS 28 1HD LYS 28 -8.522 -9.589 11.477 215 1HE LYS 28 2HE LYS 28 -6.914 -9.071 13.240 216 2HE LYS 28 1HE LYS 28 -7.149 -7.345 12.957 217 1HZ LYS 28 1HZ LYS 28 -9.452 -7.574 13.620 218 2HZ LYS 28 2HZ LYS 28 -8.439 -8.141 14.848 219 3HZ LYS 28 3HZ LYS 28 -9.255 -9.238 13.856 220 H ARG 29 H ARG 29 -7.788 -7.587 6.529 221 HA ARG 29 HA ARG 29 -8.759 -9.581 4.897 222 1HB ARG 29 2HB ARG 29 -9.650 -7.307 4.879 223 2HB ARG 29 1HB ARG 29 -8.168 -6.710 4.151 224 1HG ARG 29 2HG ARG 29 -8.619 -8.086 2.158 225 2HG ARG 29 1HG ARG 29 -10.140 -8.603 2.888 226 1HD ARG 29 2HD ARG 29 -10.874 -6.257 2.970 227 2HD ARG 29 1HD ARG 29 -9.370 -5.774 2.188 228 HE ARG 29 HE ARG 29 -10.289 -7.490 0.395 229 1HH1 ARG 29 1HH1 ARG 29 -11.975 -4.962 2.139 230 2HH1 ARG 29 2HH1 ARG 29 -13.174 -4.742 0.906 231 1HH2 ARG 29 1HH2 ARG 29 -11.863 -7.189 -1.228 232 2HH2 ARG 29 2HH2 ARG 29 -13.098 -5.989 -1.018 233 H ILE 30 H ILE 30 -5.948 -7.492 4.256 234 HA ILE 30 HA ILE 30 -5.185 -8.678 1.834 235 HB ILE 30 HB ILE 30 -3.409 -7.333 3.878 236 1HG1 ILE 30 2HG1 ILE 30 -4.772 -6.147 1.451 237 2HG1 ILE 30 1HG1 ILE 30 -5.340 -5.950 3.105 238 1HG2 ILE 30 1HG2 ILE 30 -2.118 -8.602 2.275 239 2HG2 ILE 30 2HG2 ILE 30 -1.944 -6.878 1.949 240 3HG2 ILE 30 3HG2 ILE 30 -3.000 -7.863 0.940 241 1HD1 ILE 30 1HD1 ILE 30 -3.276 -4.796 3.685 242 2HD1 ILE 30 2HD1 ILE 30 -4.105 -3.999 2.347 243 3HD1 ILE 30 3HD1 ILE 30 -2.691 -5.006 2.033 244 H TYR 31 H TYR 31 -4.092 -9.292 5.156 245 HA TYR 31 HA TYR 31 -2.096 -11.150 4.418 246 1HB TYR 31 2HB TYR 31 -3.454 -10.646 7.064 247 2HB TYR 31 1HB TYR 31 -2.072 -11.715 6.860 248 HD1 TYR 31 1HD TYR 31 -0.481 -10.074 4.897 249 HD2 TYR 31 2HD TYR 31 -2.563 -8.971 8.439 250 HE1 TYR 31 1HE TYR 31 1.043 -8.173 5.195 251 HE2 TYR 31 2HE TYR 31 -1.045 -7.060 8.741 252 HH TYR 31 HH TYR 31 1.290 -6.444 8.050 253 H ASN 32 H ASN 32 -5.450 -11.537 4.502 254 HA ASN 32 HA ASN 32 -5.362 -14.362 5.167 255 1HB ASN 32 2HB ASN 32 -7.533 -12.396 4.622 256 2HB ASN 32 1HB ASN 32 -7.872 -14.092 4.295 257 1HD2 ASN 32 1HD2 ASN 32 -7.138 -11.733 6.722 258 2HD2 ASN 32 2HD2 ASN 32 -7.578 -12.707 8.091 259 H GLU 33 H GLU 33 -5.516 -12.340 2.321 260 HA GLU 33 HA GLU 33 -5.792 -14.765 0.677 261 1HB GLU 33 2HB GLU 33 -6.607 -13.219 -1.115 262 2HB GLU 33 1HB GLU 33 -7.655 -13.332 0.291 263 1HG GLU 33 2HG GLU 33 -6.775 -11.216 1.129 264 2HG GLU 33 1HG GLU 33 -5.718 -11.100 -0.282 265 H ILE 34 H ILE 34 -3.581 -12.550 1.714 266 HA ILE 34 HA ILE 34 -1.919 -12.984 -0.665 267 HB ILE 34 HB ILE 34 -2.055 -10.642 1.206 268 1HG1 ILE 34 2HG1 ILE 34 -3.380 -10.595 -0.856 269 2HG1 ILE 34 1HG1 ILE 34 -2.101 -9.385 -0.903 270 1HG2 ILE 34 1HG2 ILE 34 0.299 -11.328 1.152 271 2HG2 ILE 34 2HG2 ILE 34 0.044 -9.789 0.327 272 3HG2 ILE 34 3HG2 ILE 34 0.271 -11.266 -0.610 273 1HD1 ILE 34 1HD1 ILE 34 -2.129 -12.046 -2.307 274 2HD1 ILE 34 2HD1 ILE 34 -0.742 -10.960 -2.256 275 3HD1 ILE 34 3HD1 ILE 34 -2.236 -10.446 -3.041 276 H SER 35 H SER 35 -0.250 -14.222 -0.431 277 HA SER 35 HA SER 35 0.550 -15.181 2.166 278 1HB SER 35 2HB SER 35 0.412 -16.729 0.253 279 2HB SER 35 1HB SER 35 1.638 -15.788 -0.600 280 HG SER 35 HG SER 35 2.895 -17.240 0.324 281 H LYS 36 H LYS 36 2.800 -15.215 2.769 282 HA LYS 36 HA LYS 36 4.043 -12.723 2.903 283 1HB LYS 36 2HB LYS 36 5.293 -15.463 3.209 284 2HB LYS 36 1HB LYS 36 5.988 -13.952 3.780 285 1HG LYS 36 2HG LYS 36 4.320 -13.685 5.422 286 2HG LYS 36 1HG LYS 36 3.309 -14.937 4.703 287 1HD LYS 36 2HD LYS 36 4.984 -16.615 5.280 288 2HD LYS 36 1HD LYS 36 5.988 -15.363 6.015 289 1HE LYS 36 2HE LYS 36 4.369 -14.958 7.712 290 2HE LYS 36 1HE LYS 36 3.165 -15.948 6.887 291 1HZ LYS 36 1HZ LYS 36 5.669 -16.902 8.161 292 2HZ LYS 36 2HZ LYS 36 4.632 -17.879 7.245 293 3HZ LYS 36 3HZ LYS 36 4.088 -17.185 8.693 294 H ASP 37 H ASP 37 4.192 -15.227 0.525 295 HA ASP 37 HA ASP 37 6.535 -14.543 -0.842 296 1HB ASP 37 2HB ASP 37 3.944 -15.597 -2.012 297 2HB ASP 37 1HB ASP 37 5.520 -15.645 -2.793 298 H ALA 38 H ALA 38 3.197 -13.656 -1.709 299 HA ALA 38 HA ALA 38 3.985 -11.806 -3.698 300 1HB ALA 38 1HB ALA 38 1.616 -11.168 -3.757 301 2HB ALA 38 2HB ALA 38 1.336 -12.107 -2.290 302 3HB ALA 38 3HB ALA 38 1.827 -12.918 -3.777 303 H TRP 39 H TRP 39 3.063 -11.460 -0.313 304 HA TRP 39 HA TRP 39 2.839 -8.671 -0.221 305 1HB TRP 39 2HB TRP 39 2.093 -10.159 1.603 306 2HB TRP 39 1HB TRP 39 3.768 -10.566 1.957 307 HD1 TRP 39 HD TRP 39 4.959 -9.100 3.689 308 HE1 TRP 39 1HE TRP 39 4.423 -6.893 4.895 309 HE3 TRP 39 3HE TRP 39 0.748 -7.775 1.119 310 HZ2 TRP 39 2HZ TRP 39 2.477 -4.858 4.776 311 HZ3 TRP 39 3HZ TRP 39 -0.391 -5.677 1.723 312 HH2 TRP 39 HH TRP 39 0.453 -4.252 3.517 313 H ALA 40 H ALA 40 5.642 -10.778 0.354 314 HA ALA 40 HA ALA 40 7.440 -8.667 0.932 315 1HB ALA 40 1HB ALA 40 9.198 -10.335 0.662 316 2HB ALA 40 2HB ALA 40 8.034 -11.448 -0.055 317 3HB ALA 40 3HB ALA 40 7.865 -10.960 1.630 318 H GLN 41 H GLN 41 6.635 -10.396 -2.050 319 HA GLN 41 HA GLN 41 8.647 -9.302 -3.671 320 1HB GLN 41 2HB GLN 41 5.867 -10.203 -4.443 321 2HB GLN 41 1HB GLN 41 7.148 -9.827 -5.586 322 1HG GLN 41 2HG GLN 41 8.516 -11.622 -4.498 323 2HG GLN 41 1HG GLN 41 7.072 -12.066 -3.587 324 1HE2 GLN 41 1HE2 GLN 41 5.347 -11.352 -5.873 325 2HE2 GLN 41 2HE2 GLN 41 5.509 -12.649 -7.005 326 H TRP 42 H TRP 42 5.377 -8.142 -2.933 327 HA TRP 42 HA TRP 42 5.440 -5.998 -4.766 328 1HB TRP 42 2HB TRP 42 3.302 -6.746 -3.955 329 2HB TRP 42 1HB TRP 42 3.761 -6.407 -2.286 330 HD1 TRP 42 HD TRP 42 2.405 -4.386 -1.511 331 HE1 TRP 42 1HE TRP 42 1.844 -2.063 -2.468 332 HE3 TRP 42 3HE TRP 42 4.496 -4.887 -6.157 333 HZ2 TRP 42 2HZ TRP 42 2.221 -0.639 -4.875 334 HZ3 TRP 42 3HZ TRP 42 4.351 -2.994 -7.723 335 HH2 TRP 42 HH TRP 42 3.238 -0.918 -7.094 336 H GLN 43 H GLN 43 6.000 -6.062 -1.235 337 HA GLN 43 HA GLN 43 6.568 -3.336 -0.987 338 1HB GLN 43 2HB GLN 43 7.528 -5.684 0.649 339 2HB GLN 43 1HB GLN 43 7.826 -4.010 1.091 340 1HG GLN 43 2HG GLN 43 5.325 -3.685 1.052 341 2HG GLN 43 1HG GLN 43 5.191 -5.436 0.916 342 1HE2 GLN 43 1HE2 GLN 43 4.361 -3.571 3.060 343 2HE2 GLN 43 2HE2 GLN 43 5.124 -4.162 4.493 344 H HIS 44 H HIS 44 8.662 -6.068 -1.764 345 HA HIS 44 HA HIS 44 11.104 -4.658 -1.740 346 1HB HIS 44 2HB HIS 44 10.840 -7.155 -1.765 347 2HB HIS 44 1HB HIS 44 10.386 -7.035 -3.462 348 HD1 HIS 44 1HD HIS 44 12.288 -7.728 -4.863 349 HD2 HIS 44 2HD HIS 44 13.535 -5.622 -1.503 350 HE1 HIS 44 1HE HIS 44 14.788 -7.584 -5.044 351 HE2 HIS 44 2HE HIS 44 15.509 -6.199 -3.069 352 H LYS 45 H LYS 45 8.929 -5.513 -4.413 353 HA LYS 45 HA LYS 45 10.321 -4.250 -6.473 354 1HB LYS 45 2HB LYS 45 8.594 -5.763 -7.061 355 2HB LYS 45 1HB LYS 45 7.404 -4.907 -6.094 356 1HG LYS 45 2HG LYS 45 6.919 -4.453 -8.364 357 2HG LYS 45 1HG LYS 45 7.614 -2.988 -7.678 358 1HD LYS 45 2HD LYS 45 8.559 -3.309 -9.848 359 2HD LYS 45 1HD LYS 45 9.813 -3.659 -8.656 360 1HE LYS 45 2HE LYS 45 9.493 -6.031 -8.942 361 2HE LYS 45 1HE LYS 45 8.100 -5.759 -9.986 362 1HZ LYS 45 1HZ LYS 45 9.572 -4.719 -11.606 363 2HZ LYS 45 2HZ LYS 45 10.058 -6.304 -11.273 364 3HZ LYS 45 3HZ LYS 45 10.904 -5.006 -10.604 365 H GLN 46 H GLN 46 7.718 -2.982 -4.392 366 HA GLN 46 HA GLN 46 7.533 -0.519 -5.761 367 1HB GLN 46 2HB GLN 46 5.807 -1.573 -4.199 368 2HB GLN 46 1HB GLN 46 6.775 -0.917 -2.881 369 1HG GLN 46 2HG GLN 46 6.569 1.321 -4.106 370 2HG GLN 46 1HG GLN 46 5.270 0.546 -5.009 371 1HE2 GLN 46 1HE2 GLN 46 5.188 2.798 -3.228 372 2HE2 GLN 46 2HE2 GLN 46 4.065 2.400 -1.982 373 H THR 47 H THR 47 9.221 -1.446 -2.758 374 HA THR 47 HA THR 47 10.204 1.091 -2.110 375 HB THR 47 HB THR 47 11.538 -1.582 -1.611 376 HG1 THR 47 1HG THR 47 9.618 -1.689 -0.576 377 1HG2 THR 47 1HG2 THR 47 13.061 0.316 -1.275 378 2HG2 THR 47 2HG2 THR 47 12.650 -0.462 0.255 379 3HG2 THR 47 3HG2 THR 47 11.885 1.063 -0.195 380 H MET 48 H MET 48 11.566 -1.450 -4.182 381 HA MET 48 HA MET 48 13.928 -0.111 -4.913 382 1HB MET 48 2HB MET 48 13.573 -2.482 -5.370 383 2HB MET 48 1HB MET 48 12.258 -2.090 -6.471 384 1HG MET 48 2HG MET 48 13.783 -1.043 -8.003 385 2HG MET 48 1HG MET 48 15.120 -1.252 -6.873 386 1HE MET 48 1HE MET 48 15.008 -2.165 -9.989 387 2HE MET 48 2HE MET 48 15.826 -3.723 -9.907 388 3HE MET 48 3HE MET 48 16.457 -2.349 -8.999 389 H LEU 49 H LEU 49 10.706 -0.144 -6.318 390 HA LEU 49 HA LEU 49 11.210 1.372 -8.615 391 1HB LEU 49 2HB LEU 49 9.120 0.010 -7.786 392 2HB LEU 49 1HB LEU 49 8.614 1.560 -7.141 393 HG LEU 49 HG LEU 49 8.808 2.505 -9.453 394 1HD1 LEU 49 1HD1 LEU 49 9.150 -0.402 -10.185 395 2HD1 LEU 49 2HD1 LEU 49 10.357 0.870 -10.375 396 3HD1 LEU 49 3HD1 LEU 49 8.871 0.918 -11.322 397 1HD2 LEU 49 1HD2 LEU 49 6.715 1.504 -10.240 398 2HD2 LEU 49 2HD2 LEU 49 6.656 1.835 -8.509 399 3HD2 LEU 49 3HD2 LEU 49 6.910 0.188 -9.082 400 H ILE 50 H ILE 50 10.190 2.341 -5.371 401 HA ILE 50 HA ILE 50 9.836 5.086 -5.815 402 HB ILE 50 HB ILE 50 10.752 3.658 -3.313 403 1HG1 ILE 50 2HG1 ILE 50 8.001 4.627 -4.126 404 2HG1 ILE 50 1HG1 ILE 50 8.545 2.954 -4.207 405 1HG2 ILE 50 1HG2 ILE 50 9.679 6.461 -3.625 406 2HG2 ILE 50 2HG2 ILE 50 11.329 6.016 -3.192 407 3HG2 ILE 50 3HG2 ILE 50 10.000 5.648 -2.092 408 1HD1 ILE 50 1HD1 ILE 50 7.192 3.319 -2.244 409 2HD1 ILE 50 2HD1 ILE 50 8.264 4.619 -1.719 410 3HD1 ILE 50 3HD1 ILE 50 8.856 2.959 -1.781 411 H ASN 51 H ASN 51 12.721 3.245 -4.928 412 HA ASN 51 HA ASN 51 14.355 5.561 -4.584 413 1HB ASN 51 2HB ASN 51 15.024 2.633 -4.849 414 2HB ASN 51 1HB ASN 51 16.244 3.878 -4.598 415 1HD2 ASN 51 1HD2 ASN 51 16.866 3.058 -2.617 416 2HD2 ASN 51 2HD2 ASN 51 15.870 3.166 -1.207 417 H GLU 52 H GLU 52 13.721 3.355 -7.252 418 HA GLU 52 HA GLU 52 15.758 4.332 -8.968 419 1HB GLU 52 2HB GLU 52 13.105 3.049 -9.641 420 2HB GLU 52 1HB GLU 52 14.387 3.355 -10.800 421 1HG GLU 52 2HG GLU 52 15.862 1.896 -9.401 422 2HG GLU 52 1HG GLU 52 14.428 1.462 -8.472 423 H LYS 53 H LYS 53 12.289 5.051 -8.772 424 HA LYS 53 HA LYS 53 12.354 7.074 -10.761 425 1HB LYS 53 2HB LYS 53 10.329 6.504 -8.592 426 2HB LYS 53 1HB LYS 53 10.081 7.631 -9.920 427 1HG LYS 53 2HG LYS 53 10.286 5.797 -11.515 428 2HG LYS 53 1HG LYS 53 10.552 4.673 -10.183 429 1HD LYS 53 2HD LYS 53 8.344 5.084 -9.322 430 2HD LYS 53 1HD LYS 53 8.074 6.357 -10.513 431 1HE LYS 53 2HE LYS 53 8.540 3.449 -11.156 432 2HE LYS 53 1HE LYS 53 6.963 4.234 -11.105 433 1HZ LYS 53 1HZ LYS 53 9.195 4.888 -12.951 434 2HZ LYS 53 2HZ LYS 53 7.731 5.726 -12.875 435 3HZ LYS 53 3HZ LYS 53 7.752 4.107 -13.357 436 H LYS 54 H LYS 54 12.971 7.023 -7.377 437 HA LYS 54 HA LYS 54 13.346 8.564 -5.781 438 1HB LYS 54 2HB LYS 54 14.227 10.217 -8.148 439 2HB LYS 54 1HB LYS 54 14.460 10.700 -6.473 440 1HG LYS 54 2HG LYS 54 15.729 8.543 -6.156 441 2HG LYS 54 1HG LYS 54 15.674 8.356 -7.908 442 1HD LYS 54 2HD LYS 54 16.858 10.461 -8.193 443 2HD LYS 54 1HD LYS 54 16.860 10.716 -6.445 444 1HE LYS 54 2HE LYS 54 18.142 8.592 -6.209 445 2HE LYS 54 1HE LYS 54 18.247 8.511 -7.966 446 1HZ LYS 54 1HZ LYS 54 20.237 9.471 -7.022 447 2HZ LYS 54 2HZ LYS 54 19.338 10.676 -6.256 448 3HZ LYS 54 3HZ LYS 54 19.422 10.633 -7.946 449 H LEU 55 H LEU 55 11.114 8.563 -5.350 450 HA LEU 55 HA LEU 55 9.848 11.141 -5.907 451 1HB LEU 55 2HB LEU 55 7.657 9.960 -6.107 452 2HB LEU 55 1HB LEU 55 8.770 9.658 -7.426 453 HG LEU 55 HG LEU 55 9.362 7.484 -6.129 454 1HD1 LEU 55 1HD1 LEU 55 7.539 6.580 -4.791 455 2HD1 LEU 55 2HD1 LEU 55 6.658 8.099 -4.943 456 3HD1 LEU 55 3HD1 LEU 55 8.185 8.051 -4.062 457 1HD2 LEU 55 1HD2 LEU 55 7.562 6.293 -7.249 458 2HD2 LEU 55 2HD2 LEU 55 8.208 7.565 -8.285 459 3HD2 LEU 55 3HD2 LEU 55 6.672 7.803 -7.451 460 H ASN 56 H ASN 56 8.216 11.736 -4.304 461 HA ASN 56 HA ASN 56 8.904 10.567 -1.696 462 1HB ASN 56 2HB ASN 56 7.947 13.335 -2.430 463 2HB ASN 56 1HB ASN 56 8.072 12.760 -0.769 464 1HD2 ASN 56 1HD2 ASN 56 10.113 12.409 0.121 465 2HD2 ASN 56 2HD2 ASN 56 11.545 13.070 -0.585 466 H MET 57 H MET 57 7.379 9.768 -0.394 467 HA MET 57 HA MET 57 4.680 9.514 -1.417 468 1HB MET 57 2HB MET 57 6.071 8.365 1.004 469 2HB MET 57 1HB MET 57 4.358 8.123 0.685 470 1HG MET 57 2HG MET 57 6.636 7.278 -1.088 471 2HG MET 57 1HG MET 57 5.640 6.225 -0.082 472 1HE MET 57 1HE MET 57 6.186 5.904 -3.283 473 2HE MET 57 2HE MET 57 4.580 5.406 -3.818 474 3HE MET 57 3HE MET 57 5.259 4.743 -2.333 475 H MET 58 H MET 58 6.319 11.764 0.302 476 HA MET 58 HA MET 58 4.319 12.606 2.155 477 1HB MET 58 2HB MET 58 6.547 14.190 0.851 478 2HB MET 58 1HB MET 58 5.594 14.722 2.227 479 1HG MET 58 2HG MET 58 6.488 12.883 3.559 480 2HG MET 58 1HG MET 58 7.435 12.341 2.173 481 1HE MET 58 1HE MET 58 10.161 13.810 4.590 482 2HE MET 58 2HE MET 58 9.661 12.404 3.652 483 3HE MET 58 3HE MET 58 8.704 12.924 5.038 484 H ASN 59 H ASN 59 4.706 12.738 -1.196 485 HA ASN 59 HA ASN 59 3.023 15.068 -1.603 486 1HB ASN 59 2HB ASN 59 4.277 13.149 -3.584 487 2HB ASN 59 1HB ASN 59 3.391 14.605 -4.013 488 1HD2 ASN 59 1HD2 ASN 59 5.152 15.426 -5.107 489 2HD2 ASN 59 2HD2 ASN 59 6.523 16.086 -4.270 490 H ALA 60 H ALA 60 0.917 15.008 -2.208 491 HA ALA 60 HA ALA 60 -0.629 12.698 -1.747 492 1HB ALA 60 1HB ALA 60 -2.502 13.999 -2.648 493 2HB ALA 60 2HB ALA 60 -1.368 15.215 -3.239 494 3HB ALA 60 3HB ALA 60 -1.545 14.941 -1.507 495 H GLU 61 H GLU 61 1.061 13.826 -4.512 496 HA GLU 61 HA GLU 61 -0.211 12.546 -6.620 497 1HB GLU 61 2HB GLU 61 2.783 12.537 -6.265 498 2HB GLU 61 1HB GLU 61 1.876 12.580 -7.764 499 1HG GLU 61 2HG GLU 61 1.239 14.850 -7.395 500 2HG GLU 61 1HG GLU 61 1.919 14.823 -5.768 501 H HIS 62 H HIS 62 2.339 11.314 -4.485 502 HA HIS 62 HA HIS 62 2.139 8.725 -5.792 503 1HB HIS 62 2HB HIS 62 4.155 9.746 -3.783 504 2HB HIS 62 1HB HIS 62 4.241 8.205 -4.634 505 HD1 HIS 62 1HD HIS 62 4.484 8.403 -7.316 506 HD2 HIS 62 2HD HIS 62 5.246 11.860 -5.133 507 HE1 HIS 62 1HE HIS 62 5.692 9.947 -8.890 508 HE2 HIS 62 2HE HIS 62 5.992 12.089 -7.602 509 H ARG 63 H ARG 63 1.112 10.261 -2.931 510 HA ARG 63 HA ARG 63 0.920 8.036 -1.216 511 1HB ARG 63 2HB ARG 63 0.607 10.343 -0.436 512 2HB ARG 63 1HB ARG 63 -0.862 10.479 -1.391 513 1HG ARG 63 2HG ARG 63 -1.347 10.112 0.969 514 2HG ARG 63 1HG ARG 63 -1.933 8.778 -0.027 515 1HD ARG 63 2HD ARG 63 -0.887 7.928 1.992 516 2HD ARG 63 1HD ARG 63 0.056 7.472 0.576 517 HE ARG 63 HE ARG 63 1.097 9.863 1.600 518 1HH1 ARG 63 1HH1 ARG 63 0.829 6.483 2.466 519 2HH1 ARG 63 2HH1 ARG 63 2.261 6.482 3.441 520 1HH2 ARG 63 1HH2 ARG 63 2.987 9.867 2.900 521 2HH2 ARG 63 2HH2 ARG 63 3.479 8.407 3.693 522 H LYS 64 H LYS 64 -1.443 9.431 -3.496 523 HA LYS 64 HA LYS 64 -3.280 7.276 -3.140 524 1HB LYS 64 2HB LYS 64 -4.453 8.216 -5.119 525 2HB LYS 64 1HB LYS 64 -4.164 9.399 -3.854 526 1HG LYS 64 2HG LYS 64 -2.424 10.428 -5.087 527 2HG LYS 64 1HG LYS 64 -2.387 9.108 -6.259 528 1HD LYS 64 2HD LYS 64 -4.540 9.715 -7.111 529 2HD LYS 64 1HD LYS 64 -4.779 10.885 -5.813 530 1HE LYS 64 2HE LYS 64 -2.563 11.084 -7.839 531 2HE LYS 64 1HE LYS 64 -4.135 11.857 -8.040 532 1HZ LYS 64 1HZ LYS 64 -2.440 13.343 -7.091 533 2HZ LYS 64 2HZ LYS 64 -2.312 12.326 -5.744 534 3HZ LYS 64 3HZ LYS 64 -3.766 13.132 -6.061 535 H LEU 65 H LEU 65 -0.674 8.001 -5.411 536 HA LEU 65 HA LEU 65 -1.069 5.960 -7.258 537 1HB LEU 65 2HB LEU 65 0.681 7.702 -7.452 538 2HB LEU 65 1HB LEU 65 1.573 6.925 -6.158 539 HG LEU 65 HG LEU 65 1.774 4.891 -7.589 540 1HD1 LEU 65 1HD1 LEU 65 -0.123 5.253 -9.052 541 2HD1 LEU 65 2HD1 LEU 65 1.366 5.124 -9.989 542 3HD1 LEU 65 3HD1 LEU 65 0.637 6.705 -9.709 543 1HD2 LEU 65 1HD2 LEU 65 2.906 7.450 -8.711 544 2HD2 LEU 65 2HD2 LEU 65 3.510 5.827 -9.044 545 3HD2 LEU 65 3HD2 LEU 65 3.600 6.483 -7.409 546 H LEU 66 H LEU 66 0.714 5.886 -4.186 547 HA LEU 66 HA LEU 66 1.444 3.258 -4.000 548 1HB LEU 66 2HB LEU 66 2.070 4.616 -2.209 549 2HB LEU 66 1HB LEU 66 0.440 5.218 -1.970 550 HG LEU 66 HG LEU 66 -0.122 2.803 -1.277 551 1HD1 LEU 66 1HD1 LEU 66 1.694 1.529 -0.320 552 2HD1 LEU 66 2HD1 LEU 66 2.852 2.749 -0.848 553 3HD1 LEU 66 3HD1 LEU 66 1.968 1.798 -2.041 554 1HD2 LEU 66 1HD2 LEU 66 0.555 3.273 1.040 555 2HD2 LEU 66 2HD2 LEU 66 -0.145 4.687 0.253 556 3HD2 LEU 66 3HD2 LEU 66 1.603 4.569 0.457 557 H GLU 67 H GLU 67 -1.672 4.582 -2.866 558 HA GLU 67 HA GLU 67 -2.915 2.178 -2.245 559 1HB GLU 67 2HB GLU 67 -3.952 4.190 -1.548 560 2HB GLU 67 1HB GLU 67 -4.005 4.824 -3.183 561 1HG GLU 67 2HG GLU 67 -5.532 2.344 -2.618 562 2HG GLU 67 1HG GLU 67 -6.148 3.864 -1.969 563 H GLN 68 H GLN 68 -2.768 3.883 -5.322 564 HA GLN 68 HA GLN 68 -4.485 2.241 -6.780 565 1HB GLN 68 2HB GLN 68 -2.122 3.906 -7.641 566 2HB GLN 68 1HB GLN 68 -3.216 3.123 -8.770 567 1HG GLN 68 2HG GLN 68 -5.075 4.407 -7.919 568 2HG GLN 68 1HG GLN 68 -4.041 5.137 -6.692 569 1HE2 GLN 68 1HE2 GLN 68 -4.923 5.092 -10.036 570 2HE2 GLN 68 2HE2 GLN 68 -4.084 6.531 -10.485 571 H GLU 69 H GLU 69 -0.912 2.160 -6.781 572 HA GLU 69 HA GLU 69 -0.769 -0.126 -8.431 573 1HB GLU 69 2HB GLU 69 1.381 0.736 -6.503 574 2HB GLU 69 1HB GLU 69 1.571 -0.082 -8.048 575 1HG GLU 69 2HG GLU 69 0.644 1.985 -9.134 576 2HG GLU 69 1HG GLU 69 0.758 2.765 -7.553 577 H MET 70 H MET 70 -0.655 0.278 -4.926 578 HA MET 70 HA MET 70 0.206 -2.288 -4.230 579 1HB MET 70 2HB MET 70 0.145 -0.430 -2.640 580 2HB MET 70 1HB MET 70 -1.609 -0.410 -2.706 581 1HG MET 70 2HG MET 70 -1.682 -2.637 -1.710 582 2HG MET 70 1HG MET 70 0.079 -2.673 -1.655 583 1HE MET 70 1HE MET 70 -3.174 -0.959 -0.293 584 2HE MET 70 2HE MET 70 -2.271 0.421 -0.921 585 3HE MET 70 3HE MET 70 -2.512 0.242 0.816 586 H VAL 71 H VAL 71 -3.128 -1.038 -4.360 587 HA VAL 71 HA VAL 71 -4.346 -3.491 -3.700 588 HB VAL 71 HB VAL 71 -5.507 -1.133 -5.191 589 1HG1 VAL 71 1HG1 VAL 71 -6.934 -3.377 -3.773 590 2HG1 VAL 71 2HG1 VAL 71 -6.813 -3.195 -5.521 591 3HG1 VAL 71 3HG1 VAL 71 -7.685 -1.994 -4.568 592 1HG2 VAL 71 1HG2 VAL 71 -5.580 -1.877 -2.271 593 2HG2 VAL 71 2HG2 VAL 71 -6.447 -0.528 -3.005 594 3HG2 VAL 71 3HG2 VAL 71 -4.683 -0.538 -2.986 595 H SER 72 H SER 72 -3.467 -2.050 -6.805 596 HA SER 72 HA SER 72 -4.846 -3.997 -8.368 597 1HB SER 72 2HB SER 72 -2.656 -2.055 -9.120 598 2HB SER 72 1HB SER 72 -3.580 -3.026 -10.265 599 HG SER 72 HG SER 72 -4.884 -1.374 -10.232 600 H PHE 73 H PHE 73 -1.908 -4.106 -6.649 601 HA PHE 73 HA PHE 73 -0.892 -6.257 -8.356 602 1HB PHE 73 2HB PHE 73 0.678 -4.492 -7.567 603 2HB PHE 73 1HB PHE 73 0.397 -5.025 -5.914 604 HD1 PHE 73 1HD PHE 73 1.971 -5.837 -9.112 605 HD2 PHE 73 2HD PHE 73 1.339 -7.106 -5.099 606 HE1 PHE 73 1HE PHE 73 3.773 -7.497 -9.355 607 HE2 PHE 73 2HE PHE 73 3.140 -8.764 -5.335 608 HZ PHE 73 HZ PHE 73 4.359 -8.960 -7.467 609 H LEU 74 H LEU 74 -1.920 -5.657 -5.017 610 HA LEU 74 HA LEU 74 -1.485 -8.384 -4.239 611 1HB LEU 74 2HB LEU 74 -2.890 -6.113 -2.836 612 2HB LEU 74 1HB LEU 74 -2.556 -7.674 -2.113 613 HG LEU 74 HG LEU 74 -0.449 -5.741 -3.093 614 1HD1 LEU 74 1HD1 LEU 74 -1.381 -6.398 -0.302 615 2HD1 LEU 74 2HD1 LEU 74 -1.592 -4.863 -1.145 616 3HD1 LEU 74 3HD1 LEU 74 0.025 -5.412 -0.703 617 1HD2 LEU 74 1HD2 LEU 74 -0.210 -8.321 -1.544 618 2HD2 LEU 74 2HD2 LEU 74 1.115 -7.226 -1.934 619 3HD2 LEU 74 3HD2 LEU 74 0.263 -8.073 -3.224 620 H PHE 75 H PHE 75 -4.397 -6.381 -4.751 621 HA PHE 75 HA PHE 75 -6.046 -8.795 -4.643 622 1HB PHE 75 2HB PHE 75 -6.852 -5.884 -4.866 623 2HB PHE 75 1HB PHE 75 -7.963 -7.235 -4.701 624 HD1 PHE 75 1HD PHE 75 -5.932 -8.623 -2.644 625 HD2 PHE 75 2HD PHE 75 -7.872 -4.843 -2.910 626 HE1 PHE 75 1HE PHE 75 -5.845 -8.410 -0.197 627 HE2 PHE 75 2HE PHE 75 -7.783 -4.622 -0.461 628 HZ PHE 75 HZ PHE 75 -6.772 -6.409 0.898 629 H GLU 76 H GLU 76 -4.448 -6.866 -6.847 630 HA GLU 76 HA GLU 76 -4.207 -6.946 -9.087 631 1HB GLU 76 2HB GLU 76 -6.198 -9.203 -8.921 632 2HB GLU 76 1HB GLU 76 -5.380 -8.719 -10.397 633 1HG GLU 76 2HG GLU 76 -3.213 -9.215 -9.295 634 2HG GLU 76 1HG GLU 76 -4.111 -9.820 -7.902 635 H GLY 77 H GLY 77 -7.688 -7.687 -8.773 636 1HA GLY 77 2HA GLY 77 -8.102 -5.818 -10.973 637 2HA GLY 77 1HA GLY 77 -9.232 -7.044 -10.429 638 H LYS 78 H LYS 78 -7.940 -3.836 -9.768 639 HA LYS 78 HA LYS 78 -10.547 -3.253 -8.547 640 1HB LYS 78 2HB LYS 78 -9.538 -1.483 -7.207 641 2HB LYS 78 1HB LYS 78 -8.811 -3.037 -6.847 642 1HG LYS 78 2HG LYS 78 -6.955 -1.737 -6.899 643 2HG LYS 78 1HG LYS 78 -7.016 -2.225 -8.590 644 1HD LYS 78 2HD LYS 78 -7.772 -0.147 -9.292 645 2HD LYS 78 1HD LYS 78 -8.383 0.282 -7.693 646 1HE LYS 78 2HE LYS 78 -5.457 -0.067 -8.320 647 2HE LYS 78 1HE LYS 78 -6.288 1.483 -8.405 648 1HZ LYS 78 1HZ LYS 78 -6.420 1.641 -6.157 649 2HZ LYS 78 2HZ LYS 78 -5.064 0.624 -6.222 650 3HZ LYS 78 3HZ LYS 78 -6.598 -0.026 -5.936 651 H ASP 79 H ASP 79 -11.201 -0.903 -8.857 652 HA ASP 79 HA ASP 79 -11.175 -0.713 -11.756 653 1HB ASP 79 2HB ASP 79 -12.988 0.524 -9.692 654 2HB ASP 79 1HB ASP 79 -13.180 0.728 -11.432 655 H VAL 80 H VAL 80 -9.854 1.063 -9.147 656 HA VAL 80 HA VAL 80 -9.804 3.620 -10.355 657 HB VAL 80 HB VAL 80 -7.851 2.445 -8.368 658 1HG1 VAL 80 1HG1 VAL 80 -8.379 5.311 -9.126 659 2HG1 VAL 80 2HG1 VAL 80 -6.920 4.386 -9.480 660 3HG1 VAL 80 3HG1 VAL 80 -7.333 4.774 -7.811 661 1HG2 VAL 80 1HG2 VAL 80 -10.320 4.117 -7.921 662 2HG2 VAL 80 2HG2 VAL 80 -9.173 3.630 -6.676 663 3HG2 VAL 80 3HG2 VAL 80 -10.131 2.412 -7.518 664 H HIS 81 H HIS 81 -8.728 4.288 -12.079 665 HA HIS 81 HA HIS 81 -7.024 2.446 -13.482 666 1HB HIS 81 2HB HIS 81 -7.994 5.231 -14.129 667 2HB HIS 81 1HB HIS 81 -6.904 4.335 -15.180 668 HD1 HIS 81 1HD HIS 81 -7.919 2.523 -16.651 669 HD2 HIS 81 2HD HIS 81 -10.631 4.194 -13.977 670 HE1 HIS 81 1HE HIS 81 -10.185 1.722 -17.390 671 HE2 HIS 81 2HE HIS 81 -11.786 2.603 -15.654 672 H ILE 82 H ILE 82 -4.880 2.433 -13.629 673 HA ILE 82 HA ILE 82 -3.395 4.556 -12.232 674 HB ILE 82 HB ILE 82 -2.247 1.916 -13.134 675 1HG1 ILE 82 2HG1 ILE 82 -3.545 2.554 -10.482 676 2HG1 ILE 82 1HG1 ILE 82 -4.157 1.430 -11.684 677 1HG2 ILE 82 1HG2 ILE 82 -0.581 2.372 -11.410 678 2HG2 ILE 82 2HG2 ILE 82 -1.415 3.869 -10.990 679 3HG2 ILE 82 3HG2 ILE 82 -0.663 3.692 -12.576 680 1HD1 ILE 82 1HD1 ILE 82 -1.601 1.149 -10.132 681 2HD1 ILE 82 2HD1 ILE 82 -2.175 0.033 -11.370 682 3HD1 ILE 82 3HD1 ILE 82 -3.091 0.243 -9.876 683 H GLU 83 H GLU 83 -2.663 6.094 -13.567 684 HA GLU 83 HA GLU 83 -1.695 7.154 -15.325 685 1HB GLU 83 2HB GLU 83 -0.609 4.379 -15.784 686 2HB GLU 83 1HB GLU 83 -0.187 5.736 -16.820 687 1HG GLU 83 2HG GLU 83 0.207 5.800 -13.846 688 2HG GLU 83 1HG GLU 83 1.425 5.165 -14.953 689 H GLY 84 H GLY 84 -4.362 5.861 -15.503 690 1HA GLY 84 2HA GLY 84 -4.601 5.291 -18.356 691 2HA GLY 84 1HA GLY 84 -5.869 5.111 -17.150 692 H TYR 85 H TYR 85 -4.103 8.004 -16.999 693 HA TYR 85 HA TYR 85 -4.536 10.166 -17.454 694 1HB TYR 85 2HB TYR 85 -5.978 8.907 -19.772 695 2HB TYR 85 1HB TYR 85 -5.973 10.652 -19.529 696 HD1 TYR 85 1HD TYR 85 -4.093 11.957 -20.105 697 HD2 TYR 85 2HD TYR 85 -3.782 7.714 -20.080 698 HE1 TYR 85 1HE TYR 85 -1.893 12.116 -21.192 699 HE2 TYR 85 2HE TYR 85 -1.583 7.864 -21.167 700 HH TYR 85 HH TYR 85 -0.332 9.459 -22.585 701 H THR 86 H THR 86 -6.434 8.403 -15.838 702 HA THR 86 HA THR 86 -8.745 10.158 -15.769 703 HB THR 86 HB THR 86 -9.374 8.758 -13.752 704 HG1 THR 86 1HG THR 86 -8.024 7.273 -13.063 705 1HG2 THR 86 1HG2 THR 86 -8.888 7.288 -16.346 706 2HG2 THR 86 2HG2 THR 86 -10.286 8.294 -15.973 707 3HG2 THR 86 3HG2 THR 86 -10.013 6.799 -15.079 708 HA PRO 87 HA PRO 87 -6.378 12.875 -13.133 709 1HB PRO 87 2HB PRO 87 -8.832 14.398 -12.733 710 2HB PRO 87 1HB PRO 87 -7.363 14.859 -13.593 711 1HG PRO 87 2HG PRO 87 -9.713 14.364 -14.852 712 2HG PRO 87 1HG PRO 87 -8.136 14.066 -15.602 713 1HD PRO 87 2HD PRO 87 -10.034 12.125 -14.342 714 2HD PRO 87 1HD PRO 87 -9.045 11.954 -15.810 715 H GLU 88 H GLU 88 -8.576 10.700 -12.119 716 HA GLU 88 HA GLU 88 -9.440 9.987 -10.150 717 1HB GLU 88 2HB GLU 88 -7.167 11.659 -9.064 718 2HB GLU 88 1HB GLU 88 -8.146 10.578 -8.084 719 1HG GLU 88 2HG GLU 88 -6.467 9.739 -10.435 720 2HG GLU 88 1HG GLU 88 -5.997 9.593 -8.743 721 H ASP 89 H ASP 89 -10.482 12.323 -11.404 722 HA ASP 89 HA ASP 89 -11.042 14.492 -9.802 723 1HB ASP 89 2HB ASP 89 -13.183 14.632 -11.220 724 2HB ASP 89 1HB ASP 89 -11.642 14.660 -12.069 725 H LYS 90 H LYS 90 -13.539 12.000 -10.411 726 HA LYS 90 HA LYS 90 -14.444 12.339 -7.652 727 1HB LYS 90 2HB LYS 90 -16.054 12.287 -9.619 728 2HB LYS 90 1HB LYS 90 -15.664 10.582 -9.789 729 1HG LYS 90 2HG LYS 90 -16.522 10.131 -7.573 730 2HG LYS 90 1HG LYS 90 -16.835 11.848 -7.320 731 1HD LYS 90 2HD LYS 90 -18.406 11.789 -9.245 732 2HD LYS 90 1HD LYS 90 -18.151 10.046 -9.350 733 1HE LYS 90 2HE LYS 90 -20.197 10.559 -8.124 734 2HE LYS 90 1HE LYS 90 -19.014 9.774 -7.081 735 1HZ LYS 90 1HZ LYS 90 -20.102 11.650 -5.989 736 2HZ LYS 90 2HZ LYS 90 -19.531 12.700 -7.183 737 3HZ LYS 90 3HZ LYS 90 -18.442 11.919 -6.151 738 H LYS 91 H LYS 91 -12.597 10.303 -9.639 739 HA LYS 91 HA LYS 91 -11.325 8.470 -9.277 740 1HB LYS 91 2HB LYS 91 -10.764 9.595 -7.134 741 2HB LYS 91 1HB LYS 91 -12.108 8.758 -6.374 742 1HG LYS 91 2HG LYS 91 -11.013 6.602 -6.978 743 2HG LYS 91 1HG LYS 91 -9.615 7.532 -7.525 744 1HD LYS 91 2HD LYS 91 -9.457 8.530 -5.261 745 2HD LYS 91 1HD LYS 91 -10.768 7.468 -4.739 746 1HE LYS 91 2HE LYS 91 -8.766 6.407 -4.079 747 2HE LYS 91 1HE LYS 91 -9.333 5.533 -5.500 748 1HZ LYS 91 1HZ LYS 91 -7.205 7.600 -5.462 749 2HZ LYS 91 2HZ LYS 91 -7.757 6.812 -6.853 750 3HZ LYS 91 3HZ LYS 91 -6.969 5.931 -5.624 Start of MODEL 20 1 1H MET 1 1HT MET 1 1.026 -24.875 14.607 2 2H MET 1 2HT MET 1 -0.031 -23.599 14.278 3 3H MET 1 3HT MET 1 1.621 -23.427 13.967 4 HA MET 1 HA MET 1 1.531 -25.088 12.259 5 1HB MET 1 2HB MET 1 -0.249 -26.465 13.208 6 2HB MET 1 1HB MET 1 -1.413 -25.175 12.958 7 1HG MET 1 2HG MET 1 -1.676 -26.863 11.264 8 2HG MET 1 1HG MET 1 -1.097 -25.365 10.538 9 1HE MET 1 1HE MET 1 -1.025 -28.181 9.059 10 2HE MET 1 2HE MET 1 0.572 -28.113 8.314 11 3HE MET 1 3HE MET 1 -0.449 -26.678 8.336 12 H SER 2 H SER 2 1.828 -23.955 10.449 13 HA SER 2 HA SER 2 0.642 -21.368 10.134 14 1HB SER 2 2HB SER 2 2.243 -22.980 8.130 15 2HB SER 2 1HB SER 2 1.938 -21.245 8.080 16 HG SER 2 HG SER 2 3.051 -22.117 10.439 17 H ARG 3 H ARG 3 -1.169 -20.842 9.072 18 HA ARG 3 HA ARG 3 -2.826 -22.982 8.093 19 1HB ARG 3 2HB ARG 3 -3.768 -21.179 9.478 20 2HB ARG 3 1HB ARG 3 -3.358 -20.008 8.232 21 1HG ARG 3 2HG ARG 3 -5.719 -20.578 8.164 22 2HG ARG 3 1HG ARG 3 -4.898 -21.098 6.690 23 1HD ARG 3 2HD ARG 3 -4.778 -23.378 7.549 24 2HD ARG 3 1HD ARG 3 -5.553 -22.868 9.046 25 HE ARG 3 HE ARG 3 -7.384 -22.141 7.263 26 1HH1 ARG 3 1HH1 ARG 3 -5.566 -25.114 7.555 27 2HH1 ARG 3 2HH1 ARG 3 -6.816 -26.101 6.876 28 1HH2 ARG 3 1HH2 ARG 3 -9.034 -23.419 6.361 29 2HH2 ARG 3 2HH2 ARG 3 -8.809 -25.131 6.203 30 H THR 4 H THR 4 -3.101 -23.579 6.076 31 HA THR 4 HA THR 4 -1.797 -22.135 3.935 32 HB THR 4 HB THR 4 -2.646 -24.081 2.542 33 HG1 THR 4 1HG THR 4 -4.348 -24.782 3.840 34 1HG2 THR 4 1HG2 THR 4 -0.923 -24.685 4.952 35 2HG2 THR 4 2HG2 THR 4 -0.369 -24.041 3.406 36 3HG2 THR 4 3HG2 THR 4 -1.022 -25.677 3.498 37 H ILE 5 H ILE 5 -2.880 -20.397 3.259 38 HA ILE 5 HA ILE 5 -5.783 -20.593 2.866 39 HB ILE 5 HB ILE 5 -5.667 -18.079 2.640 40 1HG1 ILE 5 2HG1 ILE 5 -3.611 -17.127 3.928 41 2HG1 ILE 5 1HG1 ILE 5 -2.823 -18.625 3.455 42 1HG2 ILE 5 1HG2 ILE 5 -6.456 -19.179 4.658 43 2HG2 ILE 5 2HG2 ILE 5 -5.560 -17.714 5.059 44 3HG2 ILE 5 3HG2 ILE 5 -4.802 -19.294 5.258 45 1HD1 ILE 5 1HD1 ILE 5 -2.274 -16.821 1.936 46 2HD1 ILE 5 2HD1 ILE 5 -3.984 -16.569 1.586 47 3HD1 ILE 5 3HD1 ILE 5 -3.197 -18.074 1.106 48 H PHE 6 H PHE 6 -6.577 -19.238 0.940 49 HA PHE 6 HA PHE 6 -4.938 -19.990 -1.371 50 1HB PHE 6 2HB PHE 6 -7.885 -19.328 -1.174 51 2HB PHE 6 1HB PHE 6 -7.043 -19.661 -2.683 52 HD1 PHE 6 1HD PHE 6 -5.834 -21.913 -2.869 53 HD2 PHE 6 2HD PHE 6 -8.818 -21.066 0.047 54 HE1 PHE 6 1HE PHE 6 -6.217 -24.323 -2.565 55 HE2 PHE 6 2HE PHE 6 -9.206 -23.474 0.356 56 HZ PHE 6 HZ PHE 6 -7.899 -25.105 -0.953 57 H CYS 7 H CYS 7 -3.558 -18.372 -1.704 58 HA CYS 7 HA CYS 7 -4.116 -15.653 -1.195 59 1HB CYS 7 2HB CYS 7 -1.837 -16.535 -1.188 60 2HB CYS 7 1HB CYS 7 -1.958 -16.897 -2.907 61 HG CYS 7 HG CYS 7 -2.499 -13.691 -2.013 62 H THR 8 H THR 8 -4.898 -14.065 -2.425 63 HA THR 8 HA THR 8 -6.493 -14.588 -4.649 64 HB THR 8 HB THR 8 -6.339 -12.030 -4.949 65 HG1 THR 8 1HG THR 8 -4.806 -11.112 -3.820 66 1HG2 THR 8 1HG2 THR 8 -8.176 -13.138 -3.772 67 2HG2 THR 8 2HG2 THR 8 -7.729 -11.638 -2.959 68 3HG2 THR 8 3HG2 THR 8 -7.212 -13.189 -2.296 69 H TYR 9 H TYR 9 -3.245 -13.186 -4.482 70 HA TYR 9 HA TYR 9 -3.092 -12.666 -7.281 71 1HB TYR 9 2HB TYR 9 -1.889 -11.307 -5.647 72 2HB TYR 9 1HB TYR 9 -0.945 -12.704 -5.151 73 HD1 TYR 9 1HD TYR 9 1.199 -12.836 -5.978 74 HD2 TYR 9 2HD TYR 9 -1.757 -10.854 -8.307 75 HE1 TYR 9 1HE TYR 9 2.906 -12.269 -7.653 76 HE2 TYR 9 2HE TYR 9 -0.055 -10.282 -9.989 77 HH TYR 9 HH TYR 9 2.376 -10.005 -10.131 78 H LEU 10 H LEU 10 -1.973 -15.273 -5.198 79 HA LEU 10 HA LEU 10 -0.401 -16.445 -7.333 80 1HB LEU 10 2HB LEU 10 -0.937 -17.418 -4.532 81 2HB LEU 10 1HB LEU 10 0.162 -18.176 -5.668 82 HG LEU 10 HG LEU 10 0.467 -15.395 -4.524 83 1HD1 LEU 10 1HD1 LEU 10 1.984 -17.941 -3.972 84 2HD1 LEU 10 2HD1 LEU 10 0.874 -17.130 -2.867 85 3HD1 LEU 10 3HD1 LEU 10 2.382 -16.344 -3.337 86 1HD2 LEU 10 1HD2 LEU 10 2.677 -15.454 -5.591 87 2HD2 LEU 10 2HD2 LEU 10 1.373 -15.538 -6.774 88 3HD2 LEU 10 3HD2 LEU 10 2.265 -16.997 -6.341 89 H GLN 11 H GLN 11 -3.511 -16.895 -5.835 90 HA GLN 11 HA GLN 11 -5.262 -18.267 -6.275 91 1HB GLN 11 2HB GLN 11 -3.808 -18.391 -8.903 92 2HB GLN 11 1HB GLN 11 -5.285 -19.306 -8.633 93 1HG GLN 11 2HG GLN 11 -4.997 -16.318 -8.412 94 2HG GLN 11 1HG GLN 11 -5.727 -17.196 -9.756 95 1HE2 GLN 11 1HE2 GLN 11 -6.130 -16.076 -6.517 96 2HE2 GLN 11 2HE2 GLN 11 -7.801 -16.488 -6.358 97 H ARG 12 H ARG 12 -3.096 -19.356 -4.839 98 HA ARG 12 HA ARG 12 -3.611 -22.178 -5.251 99 1HB ARG 12 2HB ARG 12 -1.304 -22.842 -5.380 100 2HB ARG 12 1HB ARG 12 -1.592 -21.661 -6.648 101 1HG ARG 12 2HG ARG 12 -0.596 -19.927 -5.210 102 2HG ARG 12 1HG ARG 12 -0.235 -21.167 -4.007 103 1HD ARG 12 2HD ARG 12 1.727 -20.728 -5.358 104 2HD ARG 12 1HD ARG 12 1.128 -22.358 -5.667 105 HE ARG 12 HE ARG 12 -0.054 -21.047 -7.634 106 1HH1 ARG 12 1HH1 ARG 12 3.248 -20.848 -6.494 107 2HH1 ARG 12 2HH1 ARG 12 3.880 -20.369 -8.037 108 1HH2 ARG 12 1HH2 ARG 12 0.776 -20.438 -9.663 109 2HH2 ARG 12 2HH2 ARG 12 2.480 -20.156 -9.840 110 H ASP 13 H ASP 13 -2.305 -23.420 -3.474 111 HA ASP 13 HA ASP 13 -3.063 -22.418 -0.939 112 1HB ASP 13 2HB ASP 13 -1.174 -24.670 -1.668 113 2HB ASP 13 1HB ASP 13 -1.761 -24.349 -0.041 114 H ALA 14 H ALA 14 -2.048 -21.038 0.355 115 HA ALA 14 HA ALA 14 0.861 -20.781 0.196 116 1HB ALA 14 1HB ALA 14 -0.086 -19.098 -1.339 117 2HB ALA 14 2HB ALA 14 0.765 -18.373 0.024 118 3HB ALA 14 3HB ALA 14 -0.997 -18.411 0.006 119 H GLU 15 H GLU 15 1.455 -18.950 1.957 120 HA GLU 15 HA GLU 15 0.269 -19.971 4.425 121 1HB GLU 15 2HB GLU 15 2.222 -19.077 5.544 122 2HB GLU 15 1HB GLU 15 2.746 -19.996 4.141 123 1HG GLU 15 2HG GLU 15 3.033 -17.917 2.888 124 2HG GLU 15 1HG GLU 15 2.525 -16.999 4.303 125 H GLY 16 H GLY 16 -0.796 -18.666 5.905 126 1HA GLY 16 2HA GLY 16 -1.737 -16.093 5.226 127 2HA GLY 16 1HA GLY 16 -1.691 -16.766 6.856 128 H GLN 17 H GLN 17 -0.455 -14.383 4.861 129 HA GLN 17 HA GLN 17 2.243 -14.514 4.996 130 1HB GLN 17 2HB GLN 17 2.328 -12.136 4.544 131 2HB GLN 17 1HB GLN 17 1.047 -12.900 3.622 132 1HG GLN 17 2HG GLN 17 -0.626 -11.940 4.952 133 2HG GLN 17 1HG GLN 17 0.524 -11.484 6.210 134 1HE2 GLN 17 1HE2 GLN 17 1.920 -9.745 5.849 135 2HE2 GLN 17 2HE2 GLN 17 1.580 -8.547 4.652 136 H ASP 18 H ASP 18 0.296 -12.672 7.396 137 HA ASP 18 HA ASP 18 2.324 -13.031 9.386 138 1HB ASP 18 2HB ASP 18 2.933 -11.066 7.612 139 2HB ASP 18 1HB ASP 18 1.992 -10.152 8.789 140 H PHE 19 H PHE 19 1.730 -10.620 10.806 141 HA PHE 19 HA PHE 19 -1.044 -11.241 11.589 142 1HB PHE 19 2HB PHE 19 1.172 -10.146 13.326 143 2HB PHE 19 1HB PHE 19 -0.433 -10.644 13.859 144 HD1 PHE 19 1HD PHE 19 -1.061 -13.125 13.356 145 HD2 PHE 19 2HD PHE 19 2.919 -11.631 13.466 146 HE1 PHE 19 1HE PHE 19 -0.220 -15.406 13.731 147 HE2 PHE 19 2HE PHE 19 3.769 -13.908 13.843 148 HZ PHE 19 HZ PHE 19 2.200 -15.797 13.970 149 H GLN 20 H GLN 20 -1.912 -9.275 12.992 150 HA GLN 20 HA GLN 20 -1.830 -6.983 11.219 151 1HB GLN 20 2HB GLN 20 -3.530 -7.646 13.621 152 2HB GLN 20 1HB GLN 20 -3.614 -6.099 12.787 153 1HG GLN 20 2HG GLN 20 -4.192 -7.304 10.707 154 2HG GLN 20 1HG GLN 20 -4.219 -8.808 11.627 155 1HE2 GLN 20 1HE2 GLN 20 -5.780 -5.749 11.078 156 2HE2 GLN 20 2HE2 GLN 20 -7.277 -6.158 11.838 157 H LEU 21 H LEU 21 -0.485 -5.373 11.509 158 HA LEU 21 HA LEU 21 0.861 -5.041 14.066 159 1HB LEU 21 2HB LEU 21 1.260 -3.517 11.487 160 2HB LEU 21 1HB LEU 21 2.298 -3.460 12.896 161 HG LEU 21 HG LEU 21 2.548 -6.045 12.430 162 1HD1 LEU 21 1HD1 LEU 21 1.799 -4.949 9.724 163 2HD1 LEU 21 2HD1 LEU 21 0.936 -6.187 10.636 164 3HD1 LEU 21 3HD1 LEU 21 2.552 -6.518 10.012 165 1HD2 LEU 21 1HD2 LEU 21 3.928 -3.900 10.820 166 2HD2 LEU 21 2HD2 LEU 21 4.519 -5.546 11.045 167 3HD2 LEU 21 3HD2 LEU 21 4.383 -4.461 12.429 168 H TYR 22 H TYR 22 -0.878 -2.992 11.747 169 HA TYR 22 HA TYR 22 -2.269 -1.728 13.918 170 1HB TYR 22 2HB TYR 22 -1.732 0.591 13.094 171 2HB TYR 22 1HB TYR 22 -0.454 -0.249 13.951 172 HD1 TYR 22 1HD TYR 22 -1.456 1.322 10.846 173 HD2 TYR 22 2HD TYR 22 1.502 -1.126 12.675 174 HE1 TYR 22 1HE TYR 22 0.099 1.836 9.015 175 HE2 TYR 22 2HE TYR 22 3.060 -0.623 10.843 176 HH TYR 22 HH TYR 22 3.042 0.142 8.555 177 HA PRO 23 HA PRO 23 -4.400 -0.817 9.569 178 1HB PRO 23 2HB PRO 23 -3.550 -3.410 8.368 179 2HB PRO 23 1HB PRO 23 -3.884 -1.865 7.576 180 1HG PRO 23 2HG PRO 23 -1.388 -2.657 7.884 181 2HG PRO 23 1HG PRO 23 -1.818 -0.964 8.209 182 1HD PRO 23 2HD PRO 23 -1.367 -3.209 10.148 183 2HD PRO 23 1HD PRO 23 -0.799 -1.528 10.232 184 H GLY 24 H GLY 24 -6.525 -1.443 9.598 185 1HA GLY 24 2HA GLY 24 -7.133 -3.505 11.585 186 2HA GLY 24 1HA GLY 24 -8.204 -2.216 11.064 187 H GLU 25 H GLU 25 -9.819 -2.758 9.758 188 HA GLU 25 HA GLU 25 -10.227 -5.467 9.098 189 1HB GLU 25 2HB GLU 25 -12.302 -4.791 8.076 190 2HB GLU 25 1HB GLU 25 -12.076 -3.885 9.560 191 1HG GLU 25 2HG GLU 25 -11.528 -2.814 6.801 192 2HG GLU 25 1HG GLU 25 -13.015 -2.557 7.705 193 H LEU 26 H LEU 26 -9.299 -2.676 7.112 194 HA LEU 26 HA LEU 26 -9.166 -4.115 4.675 195 1HB LEU 26 2HB LEU 26 -9.264 -1.677 4.724 196 2HB LEU 26 1HB LEU 26 -7.720 -1.610 5.550 197 HG LEU 26 HG LEU 26 -6.620 -2.563 3.565 198 1HD1 LEU 26 1HD1 LEU 26 -7.853 -2.705 1.452 199 2HD1 LEU 26 2HD1 LEU 26 -9.351 -2.334 2.307 200 3HD1 LEU 26 3HD1 LEU 26 -8.482 -3.828 2.657 201 1HD2 LEU 26 1HD2 LEU 26 -6.809 -0.586 2.147 202 2HD2 LEU 26 2HD2 LEU 26 -6.738 -0.141 3.852 203 3HD2 LEU 26 3HD2 LEU 26 -8.278 -0.107 2.994 204 H GLY 27 H GLY 27 -6.918 -3.532 7.292 205 1HA GLY 27 2HA GLY 27 -4.601 -4.617 6.131 206 2HA GLY 27 1HA GLY 27 -4.942 -4.539 7.852 207 H LYS 28 H LYS 28 -6.993 -6.123 8.276 208 HA LYS 28 HA LYS 28 -5.993 -8.708 8.269 209 1HB LYS 28 2HB LYS 28 -7.768 -8.004 9.771 210 2HB LYS 28 1HB LYS 28 -8.858 -7.749 8.415 211 1HG LYS 28 2HG LYS 28 -8.600 -10.199 7.908 212 2HG LYS 28 1HG LYS 28 -7.794 -10.350 9.468 213 1HD LYS 28 2HD LYS 28 -9.770 -9.509 10.596 214 2HD LYS 28 1HD LYS 28 -10.575 -9.262 9.044 215 1HE LYS 28 2HE LYS 28 -9.661 -11.909 10.161 216 2HE LYS 28 1HE LYS 28 -11.324 -11.325 10.121 217 1HZ LYS 28 1HZ LYS 28 -10.950 -12.825 8.301 218 2HZ LYS 28 2HZ LYS 28 -9.610 -11.942 7.769 219 3HZ LYS 28 3HZ LYS 28 -11.160 -11.267 7.678 220 H ARG 29 H ARG 29 -8.301 -7.169 6.079 221 HA ARG 29 HA ARG 29 -9.006 -9.305 4.490 222 1HB ARG 29 2HB ARG 29 -10.077 -7.135 4.304 223 2HB ARG 29 1HB ARG 29 -8.591 -6.419 3.698 224 1HG ARG 29 2HG ARG 29 -8.738 -7.790 1.689 225 2HG ARG 29 1HG ARG 29 -10.217 -8.533 2.299 226 1HD ARG 29 2HD ARG 29 -11.340 -6.379 2.266 227 2HD ARG 29 1HD ARG 29 -9.853 -5.590 1.746 228 HE ARG 29 HE ARG 29 -10.092 -7.180 -0.263 229 1HH1 ARG 29 1HH1 ARG 29 -12.759 -5.666 1.430 230 2HH1 ARG 29 2HH1 ARG 29 -13.792 -5.645 0.039 231 1HH2 ARG 29 1HH2 ARG 29 -11.462 -7.146 -2.090 232 2HH2 ARG 29 2HH2 ARG 29 -13.060 -6.493 -1.949 233 H ILE 30 H ILE 30 -6.120 -7.278 4.285 234 HA ILE 30 HA ILE 30 -5.183 -8.575 1.897 235 HB ILE 30 HB ILE 30 -3.719 -6.768 3.826 236 1HG1 ILE 30 2HG1 ILE 30 -4.988 -6.153 1.144 237 2HG1 ILE 30 1HG1 ILE 30 -5.692 -5.741 2.702 238 1HG2 ILE 30 1HG2 ILE 30 -2.117 -6.454 1.982 239 2HG2 ILE 30 2HG2 ILE 30 -2.977 -7.676 1.045 240 3HG2 ILE 30 3HG2 ILE 30 -2.163 -8.125 2.545 241 1HD1 ILE 30 1HD1 ILE 30 -3.107 -4.693 1.579 242 2HD1 ILE 30 2HD1 ILE 30 -3.757 -4.305 3.172 243 3HD1 ILE 30 3HD1 ILE 30 -4.629 -3.815 1.718 244 H TYR 31 H TYR 31 -4.393 -8.763 5.358 245 HA TYR 31 HA TYR 31 -2.047 -10.263 5.087 246 1HB TYR 31 2HB TYR 31 -3.946 -10.094 7.427 247 2HB TYR 31 1HB TYR 31 -2.357 -10.845 7.493 248 HD1 TYR 31 1HD TYR 31 -3.709 -8.315 8.922 249 HD2 TYR 31 2HD TYR 31 -0.819 -8.859 5.854 250 HE1 TYR 31 1HE TYR 31 -2.726 -6.128 9.469 251 HE2 TYR 31 2HE TYR 31 0.172 -6.676 6.390 252 HH TYR 31 HH TYR 31 -0.455 -4.581 7.459 253 H ASN 32 H ASN 32 -5.394 -11.367 5.144 254 HA ASN 32 HA ASN 32 -4.385 -14.114 5.337 255 1HB ASN 32 2HB ASN 32 -6.769 -14.759 5.780 256 2HB ASN 32 1HB ASN 32 -6.029 -13.740 7.003 257 1HD2 ASN 32 1HD2 ASN 32 -7.366 -12.695 3.893 258 2HD2 ASN 32 2HD2 ASN 32 -8.637 -11.748 4.578 259 H GLU 33 H GLU 33 -5.125 -12.016 2.943 260 HA GLU 33 HA GLU 33 -6.036 -14.204 1.187 261 1HB GLU 33 2HB GLU 33 -6.241 -11.225 0.702 262 2HB GLU 33 1HB GLU 33 -6.793 -12.483 -0.391 263 1HG GLU 33 2HG GLU 33 -7.885 -11.891 2.347 264 2HG GLU 33 1HG GLU 33 -8.650 -11.513 0.808 265 H ILE 34 H ILE 34 -3.435 -12.184 1.988 266 HA ILE 34 HA ILE 34 -2.102 -12.830 -0.545 267 HB ILE 34 HB ILE 34 -2.036 -10.407 1.152 268 1HG1 ILE 34 2HG1 ILE 34 -3.091 -10.536 -1.093 269 2HG1 ILE 34 1HG1 ILE 34 -1.829 -9.311 -0.993 270 1HG2 ILE 34 1HG2 ILE 34 0.443 -11.333 -0.298 271 2HG2 ILE 34 2HG2 ILE 34 0.261 -11.189 1.450 272 3HG2 ILE 34 3HG2 ILE 34 0.205 -9.747 0.436 273 1HD1 ILE 34 1HD1 ILE 34 -1.581 -12.040 -2.240 274 2HD1 ILE 34 2HD1 ILE 34 -0.267 -10.876 -2.076 275 3HD1 ILE 34 3HD1 ILE 34 -1.665 -10.494 -3.084 276 H SER 35 H SER 35 -0.284 -13.953 -0.549 277 HA SER 35 HA SER 35 0.627 -15.199 1.888 278 1HB SER 35 2HB SER 35 0.461 -16.480 -0.206 279 2HB SER 35 1HB SER 35 1.639 -15.408 -0.957 280 HG SER 35 HG SER 35 2.538 -17.393 -0.146 281 H LYS 36 H LYS 36 2.725 -15.049 2.701 282 HA LYS 36 HA LYS 36 3.863 -12.512 2.795 283 1HB LYS 36 2HB LYS 36 4.229 -14.202 4.542 284 2HB LYS 36 1HB LYS 36 5.163 -15.177 3.417 285 1HG LYS 36 2HG LYS 36 6.648 -13.992 4.887 286 2HG LYS 36 1HG LYS 36 6.808 -13.361 3.249 287 1HD LYS 36 2HD LYS 36 6.787 -11.475 4.679 288 2HD LYS 36 1HD LYS 36 5.200 -11.536 3.913 289 1HE LYS 36 2HE LYS 36 4.969 -11.015 6.262 290 2HE LYS 36 1HE LYS 36 4.285 -12.603 5.924 291 1HZ LYS 36 1HZ LYS 36 7.023 -12.215 6.994 292 2HZ LYS 36 2HZ LYS 36 6.146 -13.661 6.906 293 3HZ LYS 36 3HZ LYS 36 5.666 -12.440 7.982 294 H ASP 37 H ASP 37 4.379 -15.169 0.600 295 HA ASP 37 HA ASP 37 6.781 -14.342 -0.600 296 1HB ASP 37 2HB ASP 37 5.828 -16.539 -1.060 297 2HB ASP 37 1HB ASP 37 4.416 -15.799 -1.807 298 H ALA 38 H ALA 38 3.416 -13.692 -1.559 299 HA ALA 38 HA ALA 38 4.110 -11.917 -3.663 300 1HB ALA 38 1HB ALA 38 1.504 -12.218 -2.174 301 2HB ALA 38 2HB ALA 38 1.975 -13.084 -3.637 302 3HB ALA 38 3HB ALA 38 1.726 -11.338 -3.686 303 H TRP 39 H TRP 39 3.277 -11.499 -0.273 304 HA TRP 39 HA TRP 39 3.119 -8.701 -0.188 305 1HB TRP 39 2HB TRP 39 2.415 -10.212 1.647 306 2HB TRP 39 1HB TRP 39 4.100 -10.607 1.954 307 HD1 TRP 39 HD TRP 39 5.294 -9.164 3.704 308 HE1 TRP 39 1HE TRP 39 4.761 -6.969 4.940 309 HE3 TRP 39 3HE TRP 39 1.078 -7.804 1.160 310 HZ2 TRP 39 2HZ TRP 39 2.817 -4.931 4.847 311 HZ3 TRP 39 3HZ TRP 39 -0.061 -5.714 1.796 312 HH2 TRP 39 HH TRP 39 0.790 -4.309 3.602 313 H ALA 40 H ALA 40 5.871 -10.900 0.085 314 HA ALA 40 HA ALA 40 7.803 -8.862 0.585 315 1HB ALA 40 1HB ALA 40 8.120 -11.213 1.237 316 2HB ALA 40 2HB ALA 40 9.445 -10.608 0.243 317 3HB ALA 40 3HB ALA 40 8.216 -11.654 -0.470 318 H GLN 41 H GLN 41 6.829 -10.690 -2.294 319 HA GLN 41 HA GLN 41 8.666 -9.584 -4.086 320 1HB GLN 41 2HB GLN 41 5.905 -10.718 -4.509 321 2HB GLN 41 1HB GLN 41 6.928 -10.190 -5.840 322 1HG GLN 41 2HG GLN 41 7.683 -12.292 -3.823 323 2HG GLN 41 1HG GLN 41 7.025 -12.617 -5.427 324 1HE2 GLN 41 1HE2 GLN 41 8.289 -12.248 -7.230 325 2HE2 GLN 41 2HE2 GLN 41 10.002 -12.044 -7.134 326 H TRP 42 H TRP 42 5.456 -8.437 -3.099 327 HA TRP 42 HA TRP 42 5.326 -6.300 -4.918 328 1HB TRP 42 2HB TRP 42 3.290 -6.823 -3.837 329 2HB TRP 42 1HB TRP 42 4.018 -6.709 -2.235 330 HD1 TRP 42 HD TRP 42 3.294 -4.591 -1.013 331 HE1 TRP 42 1HE TRP 42 2.721 -2.169 -1.666 332 HE3 TRP 42 3HE TRP 42 3.925 -4.935 -6.080 333 HZ2 TRP 42 2HZ TRP 42 2.557 -0.606 -4.010 334 HZ3 TRP 42 3HZ TRP 42 3.540 -2.930 -7.450 335 HH2 TRP 42 HH TRP 42 2.871 -0.815 -6.437 336 H GLN 43 H GLN 43 6.329 -6.275 -1.482 337 HA GLN 43 HA GLN 43 6.973 -3.544 -1.461 338 1HB GLN 43 2HB GLN 43 8.147 -5.714 0.276 339 2HB GLN 43 1HB GLN 43 8.164 -3.990 0.615 340 1HG GLN 43 2HG GLN 43 5.672 -4.046 0.648 341 2HG GLN 43 1HG GLN 43 5.771 -5.804 0.517 342 1HE2 GLN 43 1HE2 GLN 43 6.713 -6.979 2.214 343 2HE2 GLN 43 2HE2 GLN 43 6.815 -6.327 3.813 344 H HIS 44 H HIS 44 8.805 -6.355 -2.387 345 HA HIS 44 HA HIS 44 11.370 -5.215 -2.501 346 1HB HIS 44 2HB HIS 44 10.797 -7.665 -2.708 347 2HB HIS 44 1HB HIS 44 10.257 -7.334 -4.354 348 HD1 HIS 44 1HD HIS 44 12.030 -7.235 -6.152 349 HD2 HIS 44 2HD HIS 44 13.623 -7.333 -2.315 350 HE1 HIS 44 1HE HIS 44 14.505 -7.531 -6.454 351 HE2 HIS 44 2HE HIS 44 15.412 -7.799 -4.119 352 H LYS 45 H LYS 45 8.851 -5.551 -4.982 353 HA LYS 45 HA LYS 45 10.284 -4.095 -6.971 354 1HB LYS 45 2HB LYS 45 8.549 -5.733 -7.542 355 2HB LYS 45 1HB LYS 45 7.340 -4.746 -6.738 356 1HG LYS 45 2HG LYS 45 7.229 -4.497 -9.157 357 2HG LYS 45 1HG LYS 45 7.656 -2.977 -8.373 358 1HD LYS 45 2HD LYS 45 9.024 -3.263 -10.337 359 2HD LYS 45 1HD LYS 45 10.039 -3.431 -8.905 360 1HE LYS 45 2HE LYS 45 10.627 -5.135 -10.499 361 2HE LYS 45 1HE LYS 45 9.856 -5.884 -9.106 362 1HZ LYS 45 1HZ LYS 45 8.574 -5.322 -11.724 363 2HZ LYS 45 2HZ LYS 45 7.783 -5.969 -10.380 364 3HZ LYS 45 3HZ LYS 45 9.020 -6.840 -11.129 365 H GLN 46 H GLN 46 7.855 -3.297 -4.576 366 HA GLN 46 HA GLN 46 7.162 -0.718 -5.314 367 1HB GLN 46 2HB GLN 46 6.123 -2.068 -3.487 368 2HB GLN 46 1HB GLN 46 7.546 -1.761 -2.500 369 1HG GLN 46 2HG GLN 46 7.031 0.705 -2.799 370 2HG GLN 46 1HG GLN 46 5.466 0.190 -3.428 371 1HE2 GLN 46 1HE2 GLN 46 7.484 0.460 -0.644 372 2HE2 GLN 46 2HE2 GLN 46 6.282 0.077 0.535 373 H THR 47 H THR 47 9.702 -1.738 -3.042 374 HA THR 47 HA THR 47 10.800 0.789 -2.575 375 HB THR 47 HB THR 47 12.309 -1.832 -2.586 376 HG1 THR 47 1HG THR 47 10.547 -2.099 -1.233 377 1HG2 THR 47 1HG2 THR 47 13.714 0.179 -2.410 378 2HG2 THR 47 2HG2 THR 47 13.718 -0.748 -0.911 379 3HG2 THR 47 3HG2 THR 47 12.754 0.723 -1.036 380 H MET 48 H MET 48 11.452 -1.610 -5.075 381 HA MET 48 HA MET 48 13.712 -0.278 -6.183 382 1HB MET 48 2HB MET 48 13.117 -2.731 -6.421 383 2HB MET 48 1HB MET 48 11.914 -2.242 -7.606 384 1HG MET 48 2HG MET 48 13.883 -2.959 -8.751 385 2HG MET 48 1HG MET 48 13.715 -1.216 -8.952 386 1HE MET 48 1HE MET 48 17.591 -1.647 -8.871 387 2HE MET 48 2HE MET 48 16.207 -1.007 -9.756 388 3HE MET 48 3HE MET 48 16.421 -2.750 -9.597 389 H LEU 49 H LEU 49 10.350 0.271 -6.418 390 HA LEU 49 HA LEU 49 10.570 1.839 -8.854 391 1HB LEU 49 2HB LEU 49 8.303 1.691 -6.856 392 2HB LEU 49 1HB LEU 49 8.236 2.444 -8.437 393 HG LEU 49 HG LEU 49 8.581 -0.507 -7.907 394 1HD1 LEU 49 1HD1 LEU 49 6.339 0.341 -7.388 395 2HD1 LEU 49 2HD1 LEU 49 6.336 -0.729 -8.790 396 3HD1 LEU 49 3HD1 LEU 49 6.228 1.018 -9.011 397 1HD2 LEU 49 1HD2 LEU 49 8.315 -0.767 -10.315 398 2HD2 LEU 49 2HD2 LEU 49 9.741 0.198 -9.935 399 3HD2 LEU 49 3HD2 LEU 49 8.271 0.985 -10.509 400 H ILE 50 H ILE 50 10.222 2.315 -5.397 401 HA ILE 50 HA ILE 50 9.999 5.116 -5.381 402 HB ILE 50 HB ILE 50 11.084 3.304 -3.223 403 1HG1 ILE 50 2HG1 ILE 50 8.269 4.342 -3.552 404 2HG1 ILE 50 1HG1 ILE 50 8.781 2.749 -4.099 405 1HG2 ILE 50 1HG2 ILE 50 9.979 6.104 -3.090 406 2HG2 ILE 50 2HG2 ILE 50 11.645 5.609 -2.786 407 3HG2 ILE 50 3HG2 ILE 50 10.358 5.101 -1.690 408 1HD1 ILE 50 1HD1 ILE 50 8.860 3.749 -1.261 409 2HD1 ILE 50 2HD1 ILE 50 9.357 2.149 -1.810 410 3HD1 ILE 50 3HD1 ILE 50 7.668 2.641 -1.941 411 H ASN 51 H ASN 51 12.821 3.001 -4.871 412 HA ASN 51 HA ASN 51 14.536 5.208 -4.262 413 1HB ASN 51 2HB ASN 51 16.270 3.575 -3.979 414 2HB ASN 51 1HB ASN 51 14.788 2.905 -3.308 415 1HD2 ASN 51 1HD2 ASN 51 17.013 1.387 -4.015 416 2HD2 ASN 51 2HD2 ASN 51 16.566 0.341 -5.321 417 H GLU 52 H GLU 52 13.583 3.684 -7.166 418 HA GLU 52 HA GLU 52 15.902 4.640 -8.639 419 1HB GLU 52 2HB GLU 52 13.506 2.992 -9.416 420 2HB GLU 52 1HB GLU 52 14.684 3.567 -10.589 421 1HG GLU 52 2HG GLU 52 15.435 1.922 -8.194 422 2HG GLU 52 1HG GLU 52 15.000 1.216 -9.748 423 H LYS 53 H LYS 53 12.411 5.185 -8.455 424 HA LYS 53 HA LYS 53 12.469 7.251 -10.458 425 1HB LYS 53 2HB LYS 53 10.313 6.318 -8.564 426 2HB LYS 53 1HB LYS 53 10.081 7.594 -9.754 427 1HG LYS 53 2HG LYS 53 10.490 6.072 -11.555 428 2HG LYS 53 1HG LYS 53 10.945 4.794 -10.427 429 1HD LYS 53 2HD LYS 53 8.710 4.669 -9.575 430 2HD LYS 53 1HD LYS 53 8.221 6.077 -10.521 431 1HE LYS 53 2HE LYS 53 7.486 3.966 -11.530 432 2HE LYS 53 1HE LYS 53 8.579 4.861 -12.580 433 1HZ LYS 53 1HZ LYS 53 10.383 3.399 -11.785 434 2HZ LYS 53 2HZ LYS 53 9.169 2.561 -12.606 435 3HZ LYS 53 3HZ LYS 53 9.245 2.495 -10.922 436 H LYS 54 H LYS 54 12.916 7.043 -7.071 437 HA LYS 54 HA LYS 54 13.534 8.558 -5.501 438 1HB LYS 54 2HB LYS 54 14.029 10.314 -7.915 439 2HB LYS 54 1HB LYS 54 14.610 10.637 -6.286 440 1HG LYS 54 2HG LYS 54 16.008 8.670 -6.342 441 2HG LYS 54 1HG LYS 54 15.337 8.205 -7.906 442 1HD LYS 54 2HD LYS 54 17.509 9.221 -8.211 443 2HD LYS 54 1HD LYS 54 16.259 10.263 -8.893 444 1HE LYS 54 2HE LYS 54 16.311 11.599 -6.804 445 2HE LYS 54 1HE LYS 54 17.650 10.600 -6.236 446 1HZ LYS 54 1HZ LYS 54 17.634 12.377 -8.612 447 2HZ LYS 54 2HZ LYS 54 18.896 11.319 -8.228 448 3HZ LYS 54 3HZ LYS 54 18.517 12.595 -7.183 449 H LEU 55 H LEU 55 10.818 8.336 -5.969 450 HA LEU 55 HA LEU 55 9.809 11.079 -5.983 451 1HB LEU 55 2HB LEU 55 7.547 9.908 -6.099 452 2HB LEU 55 1HB LEU 55 8.572 9.836 -7.514 453 HG LEU 55 HG LEU 55 9.286 7.511 -6.629 454 1HD1 LEU 55 1HD1 LEU 55 7.614 6.364 -5.287 455 2HD1 LEU 55 2HD1 LEU 55 6.705 7.864 -5.117 456 3HD1 LEU 55 3HD1 LEU 55 8.308 7.721 -4.398 457 1HD2 LEU 55 1HD2 LEU 55 7.385 6.462 -7.732 458 2HD2 LEU 55 2HD2 LEU 55 7.931 7.879 -8.628 459 3HD2 LEU 55 3HD2 LEU 55 6.480 7.972 -7.628 460 H ASN 56 H ASN 56 8.667 11.956 -4.316 461 HA ASN 56 HA ASN 56 8.895 10.559 -1.759 462 1HB ASN 56 2HB ASN 56 8.183 12.802 -0.801 463 2HB ASN 56 1HB ASN 56 9.744 12.767 -1.608 464 1HD2 ASN 56 1HD2 ASN 56 9.568 15.033 -1.788 465 2HD2 ASN 56 2HD2 ASN 56 8.615 15.745 -3.042 466 H MET 57 H MET 57 7.151 9.981 -0.528 467 HA MET 57 HA MET 57 4.589 10.140 -1.955 468 1HB MET 57 2HB MET 57 3.976 8.058 -0.741 469 2HB MET 57 1HB MET 57 5.320 7.880 -1.862 470 1HG MET 57 2HG MET 57 6.841 8.181 0.140 471 2HG MET 57 1HG MET 57 5.400 8.004 1.139 472 1HE MET 57 1HE MET 57 6.055 6.142 -2.279 473 2HE MET 57 2HE MET 57 6.983 4.756 -1.715 474 3HE MET 57 3HE MET 57 7.652 6.381 -1.574 475 H MET 58 H MET 58 5.988 11.774 0.334 476 HA MET 58 HA MET 58 3.872 11.854 2.275 477 1HB MET 58 2HB MET 58 6.078 13.806 1.587 478 2HB MET 58 1HB MET 58 4.893 14.105 2.853 479 1HG MET 58 2HG MET 58 5.625 12.064 4.000 480 2HG MET 58 1HG MET 58 6.831 11.804 2.744 481 1HE MET 58 1HE MET 58 7.847 14.779 2.178 482 2HE MET 58 2HE MET 58 8.904 13.377 2.333 483 3HE MET 58 3HE MET 58 9.238 14.836 3.262 484 H ASN 59 H ASN 59 4.458 13.050 -0.860 485 HA ASN 59 HA ASN 59 2.378 14.984 -1.007 486 1HB ASN 59 2HB ASN 59 3.739 13.309 -3.129 487 2HB ASN 59 1HB ASN 59 2.555 14.554 -3.489 488 1HD2 ASN 59 1HD2 ASN 59 4.011 15.729 -4.687 489 2HD2 ASN 59 2HD2 ASN 59 5.308 16.617 -3.967 490 H ALA 60 H ALA 60 0.235 14.709 -1.490 491 HA ALA 60 HA ALA 60 -1.004 12.342 -0.685 492 1HB ALA 60 1HB ALA 60 -3.080 13.352 -1.460 493 2HB ALA 60 2HB ALA 60 -2.165 14.563 -2.359 494 3HB ALA 60 3HB ALA 60 -2.085 14.527 -0.597 495 H GLU 61 H GLU 61 -0.299 13.559 -3.923 496 HA GLU 61 HA GLU 61 -1.773 11.646 -5.357 497 1HB GLU 61 2HB GLU 61 0.688 13.189 -6.177 498 2HB GLU 61 1HB GLU 61 -0.328 12.268 -7.277 499 1HG GLU 61 2HG GLU 61 -1.137 14.680 -5.674 500 2HG GLU 61 1HG GLU 61 -0.882 14.599 -7.417 501 H HIS 62 H HIS 62 1.551 11.609 -4.180 502 HA HIS 62 HA HIS 62 2.158 9.157 -5.559 503 1HB HIS 62 2HB HIS 62 3.683 10.829 -3.572 504 2HB HIS 62 1HB HIS 62 4.285 9.279 -4.147 505 HD1 HIS 62 1HD HIS 62 5.584 12.162 -4.685 506 HD2 HIS 62 2HD HIS 62 3.333 9.883 -7.332 507 HE1 HIS 62 1HE HIS 62 6.240 12.951 -6.983 508 HE2 HIS 62 2HE HIS 62 4.841 11.586 -8.576 509 H ARG 63 H ARG 63 0.971 10.076 -2.428 510 HA ARG 63 HA ARG 63 1.554 7.648 -1.078 511 1HB ARG 63 2HB ARG 63 0.397 10.094 -0.384 512 2HB ARG 63 1HB ARG 63 -0.897 8.924 -0.172 513 1HG ARG 63 2HG ARG 63 1.829 8.811 1.099 514 2HG ARG 63 1HG ARG 63 0.319 9.242 1.896 515 1HD ARG 63 2HD ARG 63 0.849 6.573 0.605 516 2HD ARG 63 1HD ARG 63 1.096 6.908 2.314 517 HE ARG 63 HE ARG 63 -1.537 7.092 0.987 518 1HH1 ARG 63 1HH1 ARG 63 0.472 6.259 3.742 519 2HH1 ARG 63 2HH1 ARG 63 -0.848 5.628 4.673 520 1HH2 ARG 63 1HH2 ARG 63 -3.273 6.252 2.224 521 2HH2 ARG 63 2HH2 ARG 63 -2.971 5.629 3.815 522 H LYS 64 H LYS 64 -1.397 8.867 -2.646 523 HA LYS 64 HA LYS 64 -2.857 6.468 -2.248 524 1HB LYS 64 2HB LYS 64 -4.534 7.421 -3.691 525 2HB LYS 64 1HB LYS 64 -3.915 8.688 -2.644 526 1HG LYS 64 2HG LYS 64 -2.534 9.532 -4.465 527 2HG LYS 64 1HG LYS 64 -3.121 8.241 -5.515 528 1HD LYS 64 2HD LYS 64 -5.428 9.112 -5.195 529 2HD LYS 64 1HD LYS 64 -4.744 10.467 -4.293 530 1HE LYS 64 2HE LYS 64 -3.426 11.098 -6.264 531 2HE LYS 64 1HE LYS 64 -4.128 9.755 -7.159 532 1HZ LYS 64 1HZ LYS 64 -6.306 10.773 -6.902 533 2HZ LYS 64 2HZ LYS 64 -5.234 11.832 -7.670 534 3HZ LYS 64 3HZ LYS 64 -5.626 12.062 -6.046 535 H LEU 65 H LEU 65 -0.651 7.568 -4.702 536 HA LEU 65 HA LEU 65 -1.290 5.798 -6.772 537 1HB LEU 65 2HB LEU 65 0.401 7.779 -6.655 538 2HB LEU 65 1HB LEU 65 1.542 6.562 -6.125 539 HG LEU 65 HG LEU 65 1.708 7.070 -8.541 540 1HD1 LEU 65 1HD1 LEU 65 0.776 4.261 -7.983 541 2HD1 LEU 65 2HD1 LEU 65 2.407 4.876 -7.710 542 3HD1 LEU 65 3HD1 LEU 65 1.760 4.786 -9.348 543 1HD2 LEU 65 1HD2 LEU 65 -0.657 7.552 -8.950 544 2HD2 LEU 65 2HD2 LEU 65 -1.039 5.846 -8.716 545 3HD2 LEU 65 3HD2 LEU 65 -0.028 6.345 -10.071 546 H LEU 66 H LEU 66 1.167 5.447 -4.205 547 HA LEU 66 HA LEU 66 1.916 2.820 -4.707 548 1HB LEU 66 2HB LEU 66 3.015 4.440 -3.145 549 2HB LEU 66 1HB LEU 66 1.709 4.168 -2.011 550 HG LEU 66 HG LEU 66 3.488 1.920 -2.954 551 1HD1 LEU 66 1HD1 LEU 66 4.777 2.261 -0.901 552 2HD1 LEU 66 2HD1 LEU 66 3.850 3.728 -0.573 553 3HD1 LEU 66 3HD1 LEU 66 4.901 3.645 -1.987 554 1HD2 LEU 66 1HD2 LEU 66 1.371 1.300 -1.850 555 2HD2 LEU 66 2HD2 LEU 66 1.829 2.277 -0.455 556 3HD2 LEU 66 3HD2 LEU 66 2.780 0.855 -0.889 557 H GLU 67 H GLU 67 -0.526 4.053 -2.453 558 HA GLU 67 HA GLU 67 -1.476 1.680 -1.418 559 1HB GLU 67 2HB GLU 67 -2.145 3.863 -0.578 560 2HB GLU 67 1HB GLU 67 -3.014 4.197 -2.067 561 1HG GLU 67 2HG GLU 67 -4.594 2.426 -1.574 562 2HG GLU 67 1HG GLU 67 -3.697 2.015 -0.112 563 H GLN 68 H GLN 68 -2.763 3.395 -4.263 564 HA GLN 68 HA GLN 68 -4.708 1.439 -4.889 565 1HB GLN 68 2HB GLN 68 -3.440 3.644 -6.504 566 2HB GLN 68 1HB GLN 68 -4.724 2.620 -7.134 567 1HG GLN 68 2HG GLN 68 -6.296 3.457 -5.631 568 2HG GLN 68 1HG GLN 68 -5.056 4.116 -4.564 569 1HE2 GLN 68 1HE2 GLN 68 -4.880 4.495 -8.009 570 2HE2 GLN 68 2HE2 GLN 68 -5.227 6.186 -8.047 571 H GLU 69 H GLU 69 -1.418 1.985 -6.085 572 HA GLU 69 HA GLU 69 -1.446 0.007 -8.094 573 1HB GLU 69 2HB GLU 69 0.239 1.882 -7.744 574 2HB GLU 69 1HB GLU 69 0.957 0.886 -6.488 575 1HG GLU 69 2HG GLU 69 2.216 0.615 -8.482 576 2HG GLU 69 1HG GLU 69 1.337 -0.881 -8.177 577 H MET 70 H MET 70 -0.712 -0.054 -4.667 578 HA MET 70 HA MET 70 0.309 -2.661 -4.465 579 1HB MET 70 2HB MET 70 0.512 -1.024 -2.664 580 2HB MET 70 1HB MET 70 -1.233 -1.024 -2.446 581 1HG MET 70 2HG MET 70 -1.178 -3.310 -1.690 582 2HG MET 70 1HG MET 70 0.550 -3.410 -2.022 583 1HE MET 70 1HE MET 70 -2.241 -1.808 0.218 584 2HE MET 70 2HE MET 70 -1.435 -0.377 -0.426 585 3HE MET 70 3HE MET 70 -1.302 -0.769 1.289 586 H VAL 71 H VAL 71 -3.001 -1.426 -4.084 587 HA VAL 71 HA VAL 71 -4.232 -3.893 -3.548 588 HB VAL 71 HB VAL 71 -5.443 -1.526 -4.998 589 1HG1 VAL 71 1HG1 VAL 71 -6.747 -3.606 -5.189 590 2HG1 VAL 71 2HG1 VAL 71 -7.582 -2.383 -4.232 591 3HG1 VAL 71 3HG1 VAL 71 -6.779 -3.734 -3.431 592 1HG2 VAL 71 1HG2 VAL 71 -5.338 -2.152 -2.046 593 2HG2 VAL 71 2HG2 VAL 71 -6.278 -0.851 -2.780 594 3HG2 VAL 71 3HG2 VAL 71 -4.516 -0.824 -2.868 595 H SER 72 H SER 72 -3.372 -2.303 -6.562 596 HA SER 72 HA SER 72 -4.802 -4.047 -8.280 597 1HB SER 72 2HB SER 72 -2.377 -2.359 -8.924 598 2HB SER 72 1HB SER 72 -3.563 -2.984 -10.071 599 HG SER 72 HG SER 72 -3.846 -0.944 -8.147 600 H PHE 73 H PHE 73 -1.694 -4.262 -6.729 601 HA PHE 73 HA PHE 73 -0.828 -6.395 -8.515 602 1HB PHE 73 2HB PHE 73 0.731 -4.583 -7.696 603 2HB PHE 73 1HB PHE 73 0.615 -5.302 -6.096 604 HD1 PHE 73 1HD PHE 73 1.857 -5.770 -9.518 605 HD2 PHE 73 2HD PHE 73 1.784 -7.336 -5.563 606 HE1 PHE 73 1HE PHE 73 3.693 -7.306 -10.092 607 HE2 PHE 73 2HE PHE 73 3.615 -8.873 -6.132 608 HZ PHE 73 HZ PHE 73 4.574 -8.861 -8.397 609 H LEU 74 H LEU 74 -1.922 -5.941 -5.206 610 HA LEU 74 HA LEU 74 -1.328 -8.696 -4.524 611 1HB LEU 74 2HB LEU 74 -2.304 -6.312 -3.006 612 2HB LEU 74 1HB LEU 74 -2.517 -7.913 -2.327 613 HG LEU 74 HG LEU 74 -0.072 -8.266 -2.410 614 1HD1 LEU 74 1HD1 LEU 74 0.423 -6.778 -4.298 615 2HD1 LEU 74 2HD1 LEU 74 1.430 -6.438 -2.891 616 3HD1 LEU 74 3HD1 LEU 74 0.067 -5.385 -3.276 617 1HD2 LEU 74 1HD2 LEU 74 -0.960 -5.764 -0.991 618 2HD2 LEU 74 2HD2 LEU 74 0.514 -6.666 -0.642 619 3HD2 LEU 74 3HD2 LEU 74 -1.060 -7.415 -0.377 620 H PHE 75 H PHE 75 -4.178 -6.681 -5.066 621 HA PHE 75 HA PHE 75 -5.865 -9.054 -4.639 622 1HB PHE 75 2HB PHE 75 -6.274 -7.048 -3.186 623 2HB PHE 75 1HB PHE 75 -6.716 -6.150 -4.635 624 HD1 PHE 75 1HD PHE 75 -8.904 -6.152 -5.370 625 HD2 PHE 75 2HD PHE 75 -7.609 -9.196 -2.696 626 HE1 PHE 75 1HE PHE 75 -11.221 -6.945 -5.158 627 HE2 PHE 75 2HE PHE 75 -9.927 -9.994 -2.476 628 HZ PHE 75 HZ PHE 75 -11.736 -8.867 -3.708 629 H GLU 76 H GLU 76 -4.882 -6.644 -6.901 630 HA GLU 76 HA GLU 76 -5.019 -6.518 -9.150 631 1HB GLU 76 2HB GLU 76 -6.562 -9.106 -8.965 632 2HB GLU 76 1HB GLU 76 -6.033 -8.358 -10.464 633 1HG GLU 76 2HG GLU 76 -3.692 -8.584 -9.707 634 2HG GLU 76 1HG GLU 76 -4.271 -9.424 -8.269 635 H GLY 77 H GLY 77 -8.157 -7.645 -7.876 636 1HA GLY 77 2HA GLY 77 -9.570 -6.050 -9.829 637 2HA GLY 77 1HA GLY 77 -10.287 -7.069 -8.593 638 H LYS 78 H LYS 78 -8.854 -3.928 -9.236 639 HA LYS 78 HA LYS 78 -10.175 -2.924 -6.808 640 1HB LYS 78 2HB LYS 78 -8.614 -0.912 -7.165 641 2HB LYS 78 1HB LYS 78 -7.927 -2.396 -6.529 642 1HG LYS 78 2HG LYS 78 -6.408 -1.537 -8.122 643 2HG LYS 78 1HG LYS 78 -7.176 -2.944 -8.850 644 1HD LYS 78 2HD LYS 78 -8.640 -1.511 -10.145 645 2HD LYS 78 1HD LYS 78 -7.972 -0.080 -9.358 646 1HE LYS 78 2HE LYS 78 -5.796 -0.534 -10.327 647 2HE LYS 78 1HE LYS 78 -6.405 -2.023 -11.052 648 1HZ LYS 78 1HZ LYS 78 -7.810 -0.785 -12.480 649 2HZ LYS 78 2HZ LYS 78 -6.273 -0.088 -12.585 650 3HZ LYS 78 3HZ LYS 78 -7.486 0.667 -11.676 651 H ASP 79 H ASP 79 -10.646 -0.416 -7.131 652 HA ASP 79 HA ASP 79 -12.487 -0.374 -9.405 653 1HB ASP 79 2HB ASP 79 -12.432 1.417 -6.969 654 2HB ASP 79 1HB ASP 79 -13.682 1.383 -8.203 655 H VAL 80 H VAL 80 -10.011 1.585 -7.839 656 HA VAL 80 HA VAL 80 -10.492 3.919 -9.341 657 HB VAL 80 HB VAL 80 -7.919 3.164 -7.946 658 1HG1 VAL 80 1HG1 VAL 80 -9.082 5.859 -8.652 659 2HG1 VAL 80 2HG1 VAL 80 -7.731 5.075 -9.467 660 3HG1 VAL 80 3HG1 VAL 80 -7.575 5.572 -7.782 661 1HG2 VAL 80 1HG2 VAL 80 -9.806 2.966 -6.414 662 2HG2 VAL 80 2HG2 VAL 80 -10.355 4.582 -6.858 663 3HG2 VAL 80 3HG2 VAL 80 -8.823 4.373 -6.011 664 H HIS 81 H HIS 81 -9.889 4.538 -11.264 665 HA HIS 81 HA HIS 81 -8.295 2.848 -12.963 666 1HB HIS 81 2HB HIS 81 -10.336 4.187 -13.675 667 2HB HIS 81 1HB HIS 81 -9.342 5.629 -13.526 668 HD1 HIS 81 1HD HIS 81 -10.569 5.043 -16.197 669 HD2 HIS 81 2HD HIS 81 -6.824 3.625 -15.084 670 HE1 HIS 81 1HE HIS 81 -9.356 4.575 -18.349 671 HE2 HIS 81 2HE HIS 81 -7.065 3.793 -17.653 672 H ILE 82 H ILE 82 -6.153 2.851 -12.549 673 HA ILE 82 HA ILE 82 -4.874 5.143 -11.351 674 HB ILE 82 HB ILE 82 -3.651 2.516 -12.215 675 1HG1 ILE 82 2HG1 ILE 82 -4.696 3.393 -9.514 676 2HG1 ILE 82 1HG1 ILE 82 -5.450 2.204 -10.568 677 1HG2 ILE 82 1HG2 ILE 82 -1.897 3.112 -10.554 678 2HG2 ILE 82 2HG2 ILE 82 -2.639 4.706 -10.410 679 3HG2 ILE 82 3HG2 ILE 82 -1.952 4.189 -11.950 680 1HD1 ILE 82 1HD1 ILE 82 -4.242 1.137 -8.762 681 2HD1 ILE 82 2HD1 ILE 82 -2.757 1.950 -9.257 682 3HD1 ILE 82 3HD1 ILE 82 -3.503 0.754 -10.316 683 H GLU 83 H GLU 83 -3.812 6.679 -12.364 684 HA GLU 83 HA GLU 83 -2.628 7.861 -13.888 685 1HB GLU 83 2HB GLU 83 -1.937 5.096 -14.871 686 2HB GLU 83 1HB GLU 83 -1.258 6.559 -15.572 687 1HG GLU 83 2HG GLU 83 -1.015 5.797 -12.672 688 2HG GLU 83 1HG GLU 83 0.203 5.460 -13.900 689 H GLY 84 H GLY 84 -5.434 6.602 -14.474 690 1HA GLY 84 2HA GLY 84 -5.542 7.681 -17.215 691 2HA GLY 84 1HA GLY 84 -6.334 6.159 -16.826 692 H TYR 85 H TYR 85 -6.682 9.517 -16.946 693 HA TYR 85 HA TYR 85 -9.162 9.330 -15.372 694 1HB TYR 85 2HB TYR 85 -7.333 11.740 -15.436 695 2HB TYR 85 1HB TYR 85 -8.772 11.525 -14.441 696 HD1 TYR 85 1HD TYR 85 -5.247 11.194 -14.571 697 HD2 TYR 85 2HD TYR 85 -8.724 9.537 -12.769 698 HE1 TYR 85 1HE TYR 85 -3.851 10.215 -12.800 699 HE2 TYR 85 2HE TYR 85 -7.342 8.558 -10.988 700 HH TYR 85 HH TYR 85 -4.086 9.416 -10.496 701 H THR 86 H THR 86 -10.902 9.884 -16.480 702 HA THR 86 HA THR 86 -10.545 11.172 -19.070 703 HB THR 86 HB THR 86 -12.988 10.443 -19.355 704 HG1 THR 86 1HG THR 86 -13.712 8.880 -17.924 705 1HG2 THR 86 1HG2 THR 86 -11.116 9.298 -20.440 706 2HG2 THR 86 2HG2 THR 86 -12.340 8.144 -19.912 707 3HG2 THR 86 3HG2 THR 86 -10.854 8.335 -18.985 708 HA PRO 87 HA PRO 87 -12.401 14.951 -17.366 709 1HB PRO 87 2HB PRO 87 -12.052 15.825 -20.162 710 2HB PRO 87 1HB PRO 87 -11.441 16.562 -18.677 711 1HG PRO 87 2HG PRO 87 -9.804 15.314 -20.397 712 2HG PRO 87 1HG PRO 87 -9.544 15.249 -18.644 713 1HD PRO 87 2HD PRO 87 -10.743 13.186 -20.458 714 2HD PRO 87 1HD PRO 87 -9.607 12.978 -19.108 715 H GLU 88 H GLU 88 -13.028 13.284 -20.392 716 HA GLU 88 HA GLU 88 -15.839 14.072 -20.320 717 1HB GLU 88 2HB GLU 88 -14.290 12.507 -22.400 718 2HB GLU 88 1HB GLU 88 -15.965 13.023 -22.546 719 1HG GLU 88 2HG GLU 88 -15.307 15.336 -22.561 720 2HG GLU 88 1HG GLU 88 -13.629 14.895 -22.249 721 H ASP 89 H ASP 89 -16.683 12.858 -18.663 722 HA ASP 89 HA ASP 89 -16.097 9.979 -18.627 723 1HB ASP 89 2HB ASP 89 -16.684 9.965 -16.328 724 2HB ASP 89 1HB ASP 89 -15.713 11.414 -16.562 725 H LYS 90 H LYS 90 -18.395 12.095 -19.695 726 HA LYS 90 HA LYS 90 -20.406 9.969 -19.804 727 1HB LYS 90 2HB LYS 90 -20.927 12.830 -18.965 728 2HB LYS 90 1HB LYS 90 -22.192 11.698 -19.423 729 1HG LYS 90 2HG LYS 90 -21.575 10.235 -17.573 730 2HG LYS 90 1HG LYS 90 -20.282 11.345 -17.118 731 1HD LYS 90 2HD LYS 90 -23.205 12.079 -17.204 732 2HD LYS 90 1HD LYS 90 -22.349 11.576 -15.748 733 1HE LYS 90 2HE LYS 90 -21.642 13.964 -17.451 734 2HE LYS 90 1HE LYS 90 -22.546 14.026 -15.941 735 1HZ LYS 90 1HZ LYS 90 -20.612 13.114 -14.798 736 2HZ LYS 90 2HZ LYS 90 -20.235 14.561 -15.581 737 3HZ LYS 90 3HZ LYS 90 -19.736 13.090 -16.249 738 H LYS 91 H LYS 91 -21.781 10.094 -21.649 739 HA LYS 91 HA LYS 91 -20.603 11.710 -23.791 740 1HB LYS 91 2HB LYS 91 -22.489 9.350 -23.973 741 2HB LYS 91 1HB LYS 91 -21.752 10.180 -25.337 742 1HG LYS 91 2HG LYS 91 -19.522 9.505 -24.450 743 2HG LYS 91 1HG LYS 91 -20.361 8.540 -23.233 744 1HD LYS 91 2HD LYS 91 -21.488 7.298 -25.048 745 2HD LYS 91 1HD LYS 91 -20.554 8.220 -26.226 746 1HE LYS 91 2HE LYS 91 -19.450 6.369 -24.115 747 2HE LYS 91 1HE LYS 91 -19.551 6.037 -25.841 748 1HZ LYS 91 1HZ LYS 91 -17.879 8.100 -24.521 749 2HZ LYS 91 2HZ LYS 91 -18.062 7.965 -26.196 750 3HZ LYS 91 3HZ LYS 91 -17.339 6.712 -25.323
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