NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
621526 | 5npa | 34123 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ILE 8 1H ILE 8 -2.244 2.085 0.864 2 H2 ILE 8 2H ILE 8 -1.810 1.910 2.428 3 H3 ILE 8 3H ILE 8 -1.732 3.379 1.719 4 HA ILE 8 HA ILE 8 0.270 1.520 1.912 5 HB ILE 8 HB ILE 8 -0.793 1.973 -0.921 6 HG12 ILE 8 1HG1 ILE 8 -0.234 -0.623 0.528 7 HG13 ILE 8 2HG1 ILE 8 -1.824 0.114 0.410 8 HG21 ILE 8 1HG2 ILE 8 1.227 0.777 -1.663 9 HG22 ILE 8 2HG2 ILE 8 1.650 2.282 -0.815 10 HG23 ILE 8 3HG2 ILE 8 1.813 0.718 0.016 11 HD11 ILE 8 1HD1 ILE 8 -1.540 -1.629 -1.261 12 HD12 ILE 8 2HD1 ILE 8 -1.728 -0.040 -2.040 13 HD13 ILE 8 3HD1 ILE 8 -0.118 -0.788 -1.921 14 H GLY 9 H GLY 9 -1.030 4.392 0.336 15 HA2 GLY 9 1HA GLY 9 1.423 5.682 -0.219 16 HA3 GLY 9 2HA GLY 9 -0.117 6.505 0.125 17 H TRP 10 H TRP 10 -0.550 5.638 2.752 18 HA TRP 10 HA TRP 10 1.052 7.468 4.265 19 HB2 TRP 10 1HB TRP 10 -1.223 6.716 4.947 20 HB3 TRP 10 2HB TRP 10 -0.606 5.092 5.213 21 HD1 TRP 10 HD1 TRP 10 -0.359 8.657 6.686 22 HE1 TRP 10 HE1 TRP 10 0.413 8.487 9.148 23 HE3 TRP 10 HE3 TRP 10 0.603 3.622 6.864 24 HZ2 TRP 10 HZ2 TRP 10 1.303 6.469 10.910 25 HZ3 TRP 10 HZ3 TRP 10 1.415 2.635 8.969 26 HH2 TRP 10 HH2 TRP 10 1.759 4.029 10.965 27 H LEU 11 H LEU 11 1.293 3.962 3.787 28 HA LEU 11 HA LEU 11 3.429 3.570 5.677 29 HB2 LEU 11 1HB LEU 11 2.611 2.028 3.182 30 HB3 LEU 11 2HB LEU 11 3.838 1.475 4.326 31 HG LEU 11 HG LEU 11 0.918 1.947 5.023 32 HD11 LEU 11 1HD1 LEU 11 0.756 -0.502 5.031 33 HD12 LEU 11 2HD1 LEU 11 1.177 0.124 3.419 34 HD13 LEU 11 3HD1 LEU 11 2.431 -0.615 4.443 35 HD21 LEU 11 1HD2 LEU 11 1.529 0.722 7.081 36 HD22 LEU 11 2HD2 LEU 11 3.217 0.626 6.523 37 HD23 LEU 11 3HD2 LEU 11 2.496 2.207 6.909 38 H GLN 12 H GLN 12 3.398 4.338 2.214 39 HA GLN 12 HA GLN 12 6.255 4.296 1.886 40 HB2 GLN 12 1HB GLN 12 4.055 5.808 0.419 41 HB3 GLN 12 2HB GLN 12 5.742 5.834 -0.074 42 HG2 GLN 12 1HG GLN 12 5.715 3.447 -0.481 43 HG3 GLN 12 2HG GLN 12 4.041 3.341 0.133 44 HE21 GLN 12 1HE2 GLN 12 3.783 3.354 -3.525 45 HE22 GLN 12 2HE2 GLN 12 4.386 2.309 -2.281 46 H GLU 13 H GLU 13 3.994 6.862 2.842 47 HA GLU 13 HA GLU 13 5.933 8.958 3.041 48 HB2 GLU 13 1HB GLU 13 3.331 8.438 4.532 49 HB3 GLU 13 2HB GLU 13 4.283 9.900 4.745 50 HG2 GLU 13 1HG GLU 13 3.956 10.535 2.447 51 HG3 GLU 13 2HG GLU 13 3.195 8.990 2.076 52 H MET 14 H MET 14 4.845 6.548 5.425 53 HA MET 14 HA MET 14 6.508 7.474 7.570 54 HB2 MET 14 1HB MET 14 5.382 4.732 6.910 55 HB3 MET 14 2HB MET 14 6.254 5.091 8.394 56 HG2 MET 14 1HG MET 14 3.672 6.408 7.503 57 HG3 MET 14 2HG MET 14 3.826 5.136 8.718 58 HE1 MET 14 1HE MET 14 5.593 6.886 11.678 59 HE2 MET 14 2HE MET 14 4.686 5.457 11.125 60 HE3 MET 14 3HE MET 14 6.290 5.815 10.438 61 H CYS 15 H CYS 15 7.099 5.067 5.013 62 HA CYS 15 HA CYS 15 9.713 4.194 5.694 63 HB2 CYS 15 1HB CYS 15 8.466 3.221 3.935 64 HB3 CYS 15 2HB CYS 15 8.574 4.698 2.989 65 HG CYS 15 HG CYS 15 11.145 4.745 2.807 66 H MET 16 H MET 16 8.717 7.024 3.715 67 HA MET 16 HA MET 16 11.364 8.026 3.270 68 HB2 MET 16 1HB MET 16 8.657 9.402 3.302 69 HB3 MET 16 2HB MET 16 10.148 10.199 2.819 70 HG2 MET 16 1HG MET 16 10.422 8.665 0.954 71 HG3 MET 16 2HG MET 16 9.022 7.725 1.476 72 HE1 MET 16 1HE MET 16 8.870 11.997 -0.284 73 HE2 MET 16 2HE MET 16 9.630 11.647 1.288 74 HE3 MET 16 3HE MET 16 10.329 10.980 -0.207 75 H GLN 17 H GLN 17 8.960 8.806 5.779 76 HA GLN 17 HA GLN 17 10.546 10.848 7.030 77 HB2 GLN 17 1HB GLN 17 8.314 9.059 8.071 78 HB3 GLN 17 2HB GLN 17 9.053 10.328 9.037 79 HG2 GLN 17 1HG GLN 17 8.319 12.020 7.462 80 HG3 GLN 17 2HG GLN 17 7.649 10.757 6.392 81 HE21 GLN 17 1HE2 GLN 17 4.754 12.029 8.184 82 HE22 GLN 17 2HE2 GLN 17 5.843 12.513 6.926 83 H ARG 18 H ARG 18 10.534 7.354 7.303 84 HA ARG 18 HA ARG 18 12.358 7.435 9.634 85 HB2 ARG 18 1HB ARG 18 11.249 5.146 7.964 86 HB3 ARG 18 2HB ARG 18 12.324 4.936 9.338 87 HG2 ARG 18 1HG ARG 18 10.652 5.878 10.839 88 HG3 ARG 18 2HG ARG 18 9.570 6.192 9.461 89 HD2 ARG 18 1HD ARG 18 9.508 3.804 8.984 90 HD3 ARG 18 2HD ARG 18 10.558 3.505 10.388 91 HE ARG 18 HE ARG 18 7.722 4.186 10.397 92 HH11 ARG 18 1HH1 ARG 18 10.695 3.960 12.256 93 HH12 ARG 18 2HH1 ARG 18 9.872 3.858 13.796 94 HH21 ARG 18 1HH2 ARG 18 6.665 4.052 12.403 95 HH22 ARG 18 2HH2 ARG 18 7.591 3.910 13.880 96 H ARG 19 H ARG 19 12.704 7.926 6.393 97 HA ARG 19 HA ARG 19 14.552 7.912 4.984 98 HB2 ARG 19 1HB ARG 19 16.053 7.581 7.611 99 HB3 ARG 19 2HB ARG 19 16.790 7.987 6.068 100 HG2 ARG 19 1HG ARG 19 15.517 10.096 6.012 101 HG3 ARG 19 2HG ARG 19 14.794 9.686 7.586 102 HD2 ARG 19 1HD ARG 19 17.083 9.561 8.523 103 HD3 ARG 19 2HD ARG 19 17.696 10.165 6.967 104 HE ARG 19 HE ARG 19 15.684 11.922 7.840 105 HH11 ARG 19 1HH1 ARG 19 18.890 10.867 8.812 106 HH12 ARG 19 2HH1 ARG 19 19.292 12.383 9.586 107 HH21 ARG 19 1HH2 ARG 19 16.217 13.886 8.848 108 HH22 ARG 19 2HH2 ARG 19 17.779 14.093 9.607 109 H TRP 20 H TRP 20 13.172 5.479 5.357 110 HA TRP 20 HA TRP 20 15.373 3.461 5.222 111 HB2 TRP 20 1HB TRP 20 12.350 3.223 5.480 112 HB3 TRP 20 2HB TRP 20 13.391 1.845 5.153 113 HD1 TRP 20 HD1 TRP 20 15.533 3.635 7.355 114 HE1 TRP 20 HE1 TRP 20 15.233 2.978 9.838 115 HE3 TRP 20 HE3 TRP 20 10.980 1.302 7.006 116 HZ2 TRP 20 HZ2 TRP 20 13.305 1.648 11.415 117 HZ3 TRP 20 HZ3 TRP 20 9.963 0.356 9.040 118 HH2 TRP 20 HH2 TRP 20 11.101 0.526 11.213 119 HA PRO 21 HA PRO 21 15.220 2.903 0.847 120 HB2 PRO 21 1HB PRO 21 14.756 -0.025 1.526 121 HB3 PRO 21 2HB PRO 21 15.993 0.675 0.473 122 HG2 PRO 21 1HG PRO 21 16.731 -0.203 2.875 123 HG3 PRO 21 2HG PRO 21 17.374 1.336 2.295 124 HD2 PRO 21 1HD PRO 21 15.083 0.825 4.238 125 HD3 PRO 21 2HD PRO 21 16.422 2.036 4.350 126 HA PRO 22 HA PRO 22 10.948 2.902 0.011 127 HB2 PRO 22 1HB PRO 22 11.134 2.745 -2.748 128 HB3 PRO 22 2HB PRO 22 11.524 4.238 -1.885 129 HG2 PRO 22 1HG PRO 22 13.407 2.059 -2.882 130 HG3 PRO 22 2HG PRO 22 13.556 3.808 -3.078 131 HD2 PRO 22 1HD PRO 22 14.926 2.542 -1.127 132 HD3 PRO 22 2HD PRO 22 14.182 4.162 -0.817 133 HA PRO 23 HA PRO 23 9.963 -1.324 -0.300 134 HB2 PRO 23 1HB PRO 23 7.241 -1.070 -0.547 135 HB3 PRO 23 2HB PRO 23 8.038 -0.664 0.979 136 HG2 PRO 23 1HG PRO 23 7.169 1.194 -1.277 137 HG3 PRO 23 2HG PRO 23 6.876 1.368 0.456 138 HD2 PRO 23 1HD PRO 23 8.923 2.683 -0.757 139 HD3 PRO 23 2HD PRO 23 9.095 2.028 0.921 140 H SER 24 H SER 24 9.458 -2.893 -1.713 141 HA SER 24 HA SER 24 8.749 -2.033 -4.535 142 HB2 SER 24 1HB SER 24 10.295 -3.489 -5.443 143 HB3 SER 24 2HB SER 24 11.106 -2.337 -4.394 144 HG SER 24 HG SER 24 11.829 -4.446 -4.106 145 H TYR 25 H TYR 25 7.641 -3.594 -5.743 146 HA TYR 25 HA TYR 25 6.375 -5.762 -4.096 147 HB2 TYR 25 1HB TYR 25 5.069 -3.905 -6.122 148 HB3 TYR 25 2HB TYR 25 4.293 -5.315 -5.415 149 HD1 TYR 25 HD1 TYR 25 5.584 -1.927 -4.748 150 HD2 TYR 25 HD2 TYR 25 3.468 -5.304 -3.158 151 HE1 TYR 25 HE1 TYR 25 4.822 -0.552 -2.841 152 HE2 TYR 25 HE2 TYR 25 2.706 -3.929 -1.251 153 HH TYR 25 HH TYR 25 3.642 -0.509 -0.959 154 H GLU 26 H GLU 26 6.338 -7.726 -4.887 155 HA GLU 26 HA GLU 26 6.893 -8.059 -7.820 156 HB2 GLU 26 1HB GLU 26 8.679 -8.995 -6.351 157 HB3 GLU 26 2HB GLU 26 7.479 -9.977 -5.523 158 HG2 GLU 26 1HG GLU 26 7.021 -11.213 -7.570 159 HG3 GLU 26 2HG GLU 26 8.128 -10.181 -8.471 160 H THR 27 H THR 27 5.195 -8.546 -8.948 161 HA THR 27 HA THR 27 2.854 -9.725 -7.521 162 HB THR 27 HB THR 27 3.047 -8.301 -10.213 163 HG1 THR 27 HG1 THR 27 1.891 -6.673 -9.033 164 HG21 THR 27 1HG2 THR 27 0.585 -8.344 -10.152 165 HG22 THR 27 2HG2 THR 27 1.249 -9.995 -10.160 166 HG23 THR 27 3HG2 THR 27 0.634 -9.290 -8.647 167 H GLU 28 H GLU 28 2.557 -11.802 -7.618 168 HA GLU 28 HA GLU 28 3.200 -13.219 -10.173 169 HB2 GLU 28 1HB GLU 28 4.025 -14.210 -8.015 170 HB3 GLU 28 2HB GLU 28 2.360 -14.340 -7.465 171 HG2 GLU 28 1HG GLU 28 1.846 -15.893 -9.271 172 HG3 GLU 28 2HG GLU 28 3.474 -15.711 -9.922 173 H THR 29 H THR 29 1.729 -13.795 -11.565 174 HA THR 29 HA THR 29 -1.125 -13.276 -10.800 175 HB THR 29 HB THR 29 -1.538 -12.759 -13.146 176 HG1 THR 29 HG1 THR 29 0.249 -12.811 -14.624 177 HG21 THR 29 1HG2 THR 29 -0.116 -10.767 -13.425 178 HG22 THR 29 2HG2 THR 29 -0.665 -10.924 -11.740 179 HG23 THR 29 3HG2 THR 29 0.997 -11.380 -12.180 180 H GLU 30 H GLU 30 -2.723 -14.469 -12.174 181 HA GLU 30 HA GLU 30 -3.686 -16.511 -12.728 182 HB2 GLU 30 1HB GLU 30 -0.855 -17.134 -13.674 183 HB3 GLU 30 2HB GLU 30 -2.291 -18.066 -14.076 184 HG2 GLU 30 1HG GLU 30 -3.235 -16.113 -15.241 185 HG3 GLU 30 2HG GLU 30 -1.795 -15.179 -14.837 186 H VAL 31 H VAL 31 -3.130 -16.261 -10.091 187 HA VAL 31 HA VAL 31 -1.856 -18.819 -9.218 188 HB VAL 31 HB VAL 31 -3.136 -16.543 -7.629 189 HG11 VAL 31 1HG1 VAL 31 -2.040 -17.562 -5.693 190 HG12 VAL 31 2HG1 VAL 31 -3.217 -18.662 -6.448 191 HG13 VAL 31 3HG1 VAL 31 -1.474 -18.901 -6.719 192 HG21 VAL 31 1HG2 VAL 31 -0.805 -15.917 -7.081 193 HG22 VAL 31 2HG2 VAL 31 -0.209 -17.205 -8.155 194 HG23 VAL 31 3HG2 VAL 31 -1.102 -15.823 -8.833 195 H GLY 32 H GLY 32 -2.815 -20.557 -8.567 196 HA2 GLY 32 1HA GLY 32 -4.578 -21.838 -7.644 197 HA3 GLY 32 2HA GLY 32 -5.689 -20.469 -7.881 198 H LEU 33 H LEU 33 -7.232 -21.894 -8.809 199 HA LEU 33 HA LEU 33 -6.553 -23.496 -11.153 200 HB2 LEU 33 1HB LEU 33 -9.235 -22.691 -9.953 201 HB3 LEU 33 2HB LEU 33 -9.021 -23.868 -11.252 202 HG LEU 33 HG LEU 33 -7.962 -24.167 -8.419 203 HD11 LEU 33 1HD1 LEU 33 -9.715 -25.872 -8.209 204 HD12 LEU 33 2HD1 LEU 33 -10.400 -24.261 -8.528 205 HD13 LEU 33 3HD1 LEU 33 -10.307 -25.463 -9.837 206 HD21 LEU 33 1HD2 LEU 33 -7.468 -26.476 -9.150 207 HD22 LEU 33 2HD2 LEU 33 -8.028 -26.076 -10.792 208 HD23 LEU 33 3HD2 LEU 33 -6.575 -25.288 -10.131 209 HA PRO 34 HA PRO 34 -7.086 -20.726 -14.484 210 HB2 PRO 34 1HB PRO 34 -9.020 -22.820 -15.564 211 HB3 PRO 34 2HB PRO 34 -7.631 -22.087 -16.377 212 HG2 PRO 34 1HG PRO 34 -7.391 -24.581 -15.486 213 HG3 PRO 34 2HG PRO 34 -6.056 -23.455 -15.227 214 HD2 PRO 34 1HD PRO 34 -8.214 -24.352 -13.276 215 HD3 PRO 34 2HD PRO 34 -6.441 -24.129 -12.992 216 H HIS 35 H HIS 35 -9.921 -22.191 -12.997 217 HA HIS 35 HA HIS 35 -11.629 -20.009 -14.063 218 HB2 HIS 35 1HB HIS 35 -12.289 -22.416 -12.309 219 HB3 HIS 35 2HB HIS 35 -13.463 -21.259 -12.920 220 HD2 HIS 35 HD2 HIS 35 -11.880 -24.549 -13.964 221 HE1 HIS 35 HE1 HIS 35 -13.591 -22.869 -17.487 222 H GLU 36 H GLU 36 -9.631 -20.547 -11.418 223 HA GLU 36 HA GLU 36 -11.117 -18.454 -9.859 224 HB2 GLU 36 1HB GLU 36 -9.377 -20.735 -8.827 225 HB3 GLU 36 2HB GLU 36 -10.035 -19.444 -7.832 226 HG2 GLU 36 1HG GLU 36 -12.313 -20.176 -8.352 227 HG3 GLU 36 2HG GLU 36 -11.679 -21.445 -9.398 228 H ARG 37 H ARG 37 -9.933 -16.979 -11.280 229 HA ARG 37 HA ARG 37 -7.031 -16.947 -11.214 230 HB2 ARG 37 1HB ARG 37 -8.415 -15.987 -13.074 231 HB3 ARG 37 2HB ARG 37 -8.984 -14.739 -11.975 232 HG2 ARG 37 1HG ARG 37 -6.655 -13.936 -11.709 233 HG3 ARG 37 2HG ARG 37 -6.127 -15.163 -12.887 234 HD2 ARG 37 1HD ARG 37 -8.192 -13.047 -13.440 235 HD3 ARG 37 2HD ARG 37 -6.463 -12.905 -13.832 236 HE ARG 37 HE ARG 37 -8.464 -14.546 -15.176 237 HH11 ARG 37 1HH1 ARG 37 -5.048 -13.904 -14.669 238 HH12 ARG 37 2HH1 ARG 37 -4.554 -14.671 -16.162 239 HH21 ARG 37 1HH2 ARG 37 -7.811 -15.539 -17.111 240 HH22 ARG 37 2HH2 ARG 37 -6.117 -15.596 -17.545 241 H LEU 38 H LEU 38 -6.167 -16.837 -9.237 242 HA LEU 38 HA LEU 38 -6.845 -14.412 -7.617 243 HB2 LEU 38 1HB LEU 38 -5.222 -16.867 -6.838 244 HB3 LEU 38 2HB LEU 38 -5.717 -15.550 -5.769 245 HG LEU 38 HG LEU 38 -7.595 -17.530 -7.108 246 HD11 LEU 38 1HD1 LEU 38 -7.864 -18.425 -4.838 247 HD12 LEU 38 2HD1 LEU 38 -6.184 -18.567 -5.406 248 HD13 LEU 38 3HD1 LEU 38 -6.626 -17.293 -4.245 249 HD21 LEU 38 1HD2 LEU 38 -9.282 -16.506 -5.620 250 HD22 LEU 38 2HD2 LEU 38 -8.064 -15.346 -5.037 251 HD23 LEU 38 3HD2 LEU 38 -8.596 -15.300 -6.735 252 H PHE 39 H PHE 39 -5.033 -13.372 -6.486 253 HA PHE 39 HA PHE 39 -2.511 -13.443 -8.103 254 HB2 PHE 39 1HB PHE 39 -3.969 -10.961 -7.099 255 HB3 PHE 39 2HB PHE 39 -2.381 -10.968 -7.848 256 HD1 PHE 39 HD1 PHE 39 -5.979 -11.288 -8.406 257 HD2 PHE 39 HD2 PHE 39 -2.119 -11.385 -10.236 258 HE1 PHE 39 HE1 PHE 39 -7.031 -11.076 -10.633 259 HE2 PHE 39 HE2 PHE 39 -3.168 -11.170 -12.464 260 HZ PHE 39 HZ PHE 39 -5.625 -11.017 -12.662 261 H THR 40 H THR 40 -0.633 -13.217 -7.052 262 HA THR 40 HA THR 40 -0.778 -12.786 -4.090 263 HB THR 40 HB THR 40 0.925 -14.869 -5.530 264 HG1 THR 40 HG1 THR 40 -0.416 -16.315 -4.308 265 HG21 THR 40 1HG2 THR 40 1.591 -15.534 -3.253 266 HG22 THR 40 2HG2 THR 40 2.055 -13.848 -3.585 267 HG23 THR 40 3HG2 THR 40 0.631 -14.197 -2.577 268 H ILE 41 H ILE 41 0.394 -11.189 -3.410 269 HA ILE 41 HA ILE 41 2.710 -10.294 -5.107 270 HB ILE 41 HB ILE 41 0.574 -8.570 -3.753 271 HG12 ILE 41 1HG1 ILE 41 1.233 -8.918 -6.687 272 HG13 ILE 41 2HG1 ILE 41 -0.155 -9.615 -5.866 273 HG21 ILE 41 1HG2 ILE 41 1.810 -6.666 -4.705 274 HG22 ILE 41 2HG2 ILE 41 2.826 -7.584 -3.569 275 HG23 ILE 41 3HG2 ILE 41 3.055 -7.778 -5.322 276 HD11 ILE 41 1HD1 ILE 41 -0.776 -7.606 -7.086 277 HD12 ILE 41 2HD1 ILE 41 -0.988 -7.365 -5.335 278 HD13 ILE 41 3HD1 ILE 41 0.417 -6.659 -6.168 279 H ALA 42 H ALA 42 4.542 -10.086 -4.176 280 HA ALA 42 HA ALA 42 4.583 -10.018 -1.196 281 HB1 ALA 42 1HB ALA 42 6.945 -10.698 -1.417 282 HB2 ALA 42 2HB ALA 42 5.857 -11.843 -2.238 283 HB3 ALA 42 3HB ALA 42 6.786 -10.661 -3.189 284 H CYS 43 H CYS 43 5.733 -8.516 -0.046 285 HA CYS 43 HA CYS 43 6.594 -6.040 -1.579 286 HB2 CYS 43 1HB CYS 43 4.421 -5.709 -0.625 287 HB3 CYS 43 2HB CYS 43 5.051 -6.103 0.968 288 HG CYS 43 HG CYS 43 4.676 -3.576 0.792 289 H SER 44 H SER 44 8.671 -5.600 -1.217 290 HA SER 44 HA SER 44 9.993 -6.573 1.333 291 HB2 SER 44 1HB SER 44 10.870 -7.646 -0.540 292 HB3 SER 44 2HB SER 44 11.120 -6.121 -1.376 293 HG SER 44 HG SER 44 12.971 -6.870 -0.343 294 H ILE 45 H ILE 45 11.140 -5.147 2.547 295 HA ILE 45 HA ILE 45 11.776 -2.436 1.623 296 HB ILE 45 HB ILE 45 9.334 -2.229 2.281 297 HG12 ILE 45 1HG1 ILE 45 11.178 -0.806 4.208 298 HG13 ILE 45 2HG1 ILE 45 11.045 -0.387 2.507 299 HG21 ILE 45 1HG2 ILE 45 8.762 -2.441 4.666 300 HG22 ILE 45 2HG2 ILE 45 9.312 -3.996 4.001 301 HG23 ILE 45 3HG2 ILE 45 10.407 -3.025 5.013 302 HD11 ILE 45 1HD1 ILE 45 9.667 1.071 3.879 303 HD12 ILE 45 2HD1 ILE 45 8.652 0.087 2.797 304 HD13 ILE 45 3HD1 ILE 45 8.787 -0.335 4.521 305 H LEU 46 H LEU 46 13.442 -1.599 2.576 306 HA LEU 46 HA LEU 46 15.284 -1.469 3.981 307 HB2 LEU 46 1HB LEU 46 13.518 -0.838 5.621 308 HB3 LEU 46 2HB LEU 46 13.291 -2.544 6.020 309 HG LEU 46 HG LEU 46 15.673 -2.601 6.836 310 HD11 LEU 46 1HD1 LEU 46 16.781 -0.452 7.260 311 HD12 LEU 46 2HD1 LEU 46 16.516 -0.723 5.522 312 HD13 LEU 46 3HD1 LEU 46 15.461 0.395 6.420 313 HD21 LEU 46 1HD2 LEU 46 15.154 -1.389 8.927 314 HD22 LEU 46 2HD2 LEU 46 13.810 -0.554 8.110 315 HD23 LEU 46 3HD2 LEU 46 13.745 -2.316 8.358 316 H ASN 47 H ASN 47 14.161 -4.037 6.018 317 HA ASN 47 HA ASN 47 16.202 -5.854 4.773 318 HB2 ASN 47 1HB ASN 47 15.649 -5.337 7.706 319 HB3 ASN 47 2HB ASN 47 16.600 -6.690 7.108 320 HD21 ASN 47 1HD2 ASN 47 18.666 -3.627 8.001 321 HD22 ASN 47 2HD2 ASN 47 17.326 -4.380 8.799 322 H TYR 48 H TYR 48 12.990 -5.409 5.264 323 HA TYR 48 HA TYR 48 12.494 -8.268 6.034 324 HB2 TYR 48 1HB TYR 48 10.727 -5.832 6.492 325 HB3 TYR 48 2HB TYR 48 10.359 -7.483 6.972 326 HD1 TYR 48 HD1 TYR 48 12.333 -4.491 7.706 327 HD2 TYR 48 HD2 TYR 48 11.528 -8.553 8.832 328 HE1 TYR 48 HE1 TYR 48 13.461 -4.115 9.872 329 HE2 TYR 48 HE2 TYR 48 12.656 -8.176 10.998 330 HH TYR 48 HH TYR 48 14.067 -5.013 11.812 331 H ARG 49 H ARG 49 10.363 -9.110 5.308 332 HA ARG 49 HA ARG 49 9.223 -7.960 2.873 333 HB2 ARG 49 1HB ARG 49 11.314 -9.116 2.045 334 HB3 ARG 49 2HB ARG 49 10.679 -10.625 2.683 335 HG2 ARG 49 1HG ARG 49 8.813 -10.558 1.145 336 HG3 ARG 49 2HG ARG 49 9.306 -8.947 0.569 337 HD2 ARG 49 1HD ARG 49 11.255 -9.794 -0.419 338 HD3 ARG 49 2HD ARG 49 11.084 -11.359 0.409 339 HE ARG 49 HE ARG 49 8.823 -11.307 -1.016 340 HH11 ARG 49 1HH1 ARG 49 12.116 -10.506 -1.943 341 HH12 ARG 49 2HH1 ARG 49 11.897 -10.986 -3.611 342 HH21 ARG 49 1HH2 ARG 49 8.551 -11.927 -3.184 343 HH22 ARG 49 2HH2 ARG 49 9.879 -11.790 -4.314 344 H GLU 50 H GLU 50 7.173 -8.415 2.751 345 HA GLU 50 HA GLU 50 6.200 -10.990 3.917 346 HB2 GLU 50 1HB GLU 50 5.027 -8.225 4.439 347 HB3 GLU 50 2HB GLU 50 4.237 -9.738 4.856 348 HG2 GLU 50 1HG GLU 50 6.938 -8.903 5.928 349 HG3 GLU 50 2HG GLU 50 5.408 -8.571 6.736 350 H MET 51 H MET 51 4.223 -11.753 3.111 351 HA MET 51 HA MET 51 3.607 -10.657 0.388 352 HB2 MET 51 1HB MET 51 5.202 -12.515 0.148 353 HB3 MET 51 2HB MET 51 4.177 -13.551 1.130 354 HG2 MET 51 1HG MET 51 2.434 -13.516 -0.561 355 HG3 MET 51 2HG MET 51 3.341 -12.347 -1.523 356 HE1 MET 51 1HE MET 51 4.408 -16.801 -0.944 357 HE2 MET 51 2HE MET 51 4.360 -15.665 0.427 358 HE3 MET 51 3HE MET 51 2.870 -16.037 -0.474 359 H GLY 52 H GLY 52 1.566 -10.616 -0.215 360 HA2 GLY 52 1HA GLY 52 -0.392 -12.171 1.426 361 HA3 GLY 52 2HA GLY 52 -0.682 -10.467 1.006 362 H LYS 53 H LYS 53 -2.594 -12.191 0.286 363 HA LYS 53 HA LYS 53 -2.451 -12.161 -2.660 364 HB2 LYS 53 1HB LYS 53 -2.968 -14.516 -2.937 365 HB3 LYS 53 2HB LYS 53 -1.452 -14.365 -2.060 366 HG2 LYS 53 1HG LYS 53 -2.637 -14.811 0.064 367 HG3 LYS 53 2HG LYS 53 -4.155 -14.977 -0.829 368 HD2 LYS 53 1HD LYS 53 -3.186 -16.854 -2.124 369 HD3 LYS 53 2HD LYS 53 -1.673 -16.691 -1.220 370 HE2 LYS 53 1HE LYS 53 -2.852 -17.200 0.880 371 HE3 LYS 53 2HE LYS 53 -4.385 -17.313 0.010 372 HZ1 LYS 53 1HZ LYS 53 -3.428 -19.464 0.392 373 HZ2 LYS 53 2HZ LYS 53 -3.480 -19.159 -1.228 374 HZ3 LYS 53 3HZ LYS 53 -2.049 -19.054 -0.414 375 H GLY 54 H GLY 54 -4.478 -12.647 -3.685 376 HA2 GLY 54 1HA GLY 54 -6.907 -12.884 -2.167 377 HA3 GLY 54 2HA GLY 54 -6.600 -11.182 -2.581 378 H LYS 55 H LYS 55 -8.616 -11.378 -3.806 379 HA LYS 55 HA LYS 55 -8.566 -13.132 -6.189 380 HB2 LYS 55 1HB LYS 55 -10.647 -11.173 -5.139 381 HB3 LYS 55 2HB LYS 55 -10.850 -12.174 -6.570 382 HG2 LYS 55 1HG LYS 55 -10.688 -14.205 -5.196 383 HG3 LYS 55 2HG LYS 55 -10.441 -13.214 -3.751 384 HD2 LYS 55 1HD LYS 55 -12.654 -12.165 -4.084 385 HD3 LYS 55 2HD LYS 55 -12.901 -13.144 -5.538 386 HE2 LYS 55 1HE LYS 55 -12.739 -15.205 -4.171 387 HE3 LYS 55 2HE LYS 55 -12.513 -14.223 -2.721 388 HZ1 LYS 55 1HZ LYS 55 -14.782 -14.913 -2.973 389 HZ2 LYS 55 2HZ LYS 55 -14.683 -13.271 -3.097 390 HZ3 LYS 55 3HZ LYS 55 -14.896 -14.190 -4.450 391 H SER 56 H SER 56 -7.427 -10.084 -5.398 392 HA SER 56 HA SER 56 -7.202 -9.353 -8.320 393 HB2 SER 56 1HB SER 56 -7.894 -7.199 -8.049 394 HB3 SER 56 2HB SER 56 -9.166 -8.250 -7.445 395 HG SER 56 HG SER 56 -8.923 -6.711 -5.972 396 H LYS 57 H LYS 57 -5.534 -7.783 -8.700 397 HA LYS 57 HA LYS 57 -3.149 -8.089 -7.125 398 HB2 LYS 57 1HB LYS 57 -3.951 -6.040 -9.225 399 HB3 LYS 57 2HB LYS 57 -2.352 -6.110 -8.498 400 HG2 LYS 57 1HG LYS 57 -2.042 -8.392 -9.381 401 HG3 LYS 57 2HG LYS 57 -3.652 -8.324 -10.111 402 HD2 LYS 57 1HD LYS 57 -2.941 -6.350 -11.451 403 HD3 LYS 57 2HD LYS 57 -1.321 -6.479 -10.750 404 HE2 LYS 57 1HE LYS 57 -1.081 -8.744 -11.703 405 HE3 LYS 57 2HE LYS 57 -2.703 -8.634 -12.390 406 HZ1 LYS 57 1HZ LYS 57 -1.025 -8.106 -14.001 407 HZ2 LYS 57 2HZ LYS 57 -1.955 -6.775 -13.710 408 HZ3 LYS 57 3HZ LYS 57 -0.439 -6.878 -13.069 409 H LYS 58 H LYS 58 -5.706 -5.649 -7.138 410 HA LYS 58 HA LYS 58 -4.461 -3.785 -5.370 411 HB2 LYS 58 1HB LYS 58 -6.547 -3.317 -6.632 412 HB3 LYS 58 2HB LYS 58 -7.407 -4.499 -5.655 413 HG2 LYS 58 1HG LYS 58 -7.040 -3.148 -3.644 414 HG3 LYS 58 2HG LYS 58 -6.110 -1.975 -4.587 415 HD2 LYS 58 1HD LYS 58 -8.087 -1.485 -5.968 416 HD3 LYS 58 2HD LYS 58 -9.023 -2.697 -5.081 417 HE2 LYS 58 1HE LYS 58 -8.694 -1.409 -2.988 418 HE3 LYS 58 2HE LYS 58 -7.777 -0.195 -3.882 419 HZ1 LYS 58 1HZ LYS 58 -10.051 0.459 -3.586 420 HZ2 LYS 58 2HZ LYS 58 -9.740 0.240 -5.191 421 HZ3 LYS 58 3HZ LYS 58 -10.597 -0.894 -4.355 422 H ILE 59 H ILE 59 -6.586 -6.560 -4.641 423 HA ILE 59 HA ILE 59 -6.496 -6.196 -1.781 424 HB ILE 59 HB ILE 59 -7.011 -8.665 -3.511 425 HG12 ILE 59 1HG1 ILE 59 -8.982 -6.973 -1.966 426 HG13 ILE 59 2HG1 ILE 59 -8.607 -6.715 -3.663 427 HG21 ILE 59 1HG2 ILE 59 -7.934 -9.687 -1.470 428 HG22 ILE 59 2HG2 ILE 59 -6.205 -9.319 -1.274 429 HG23 ILE 59 3HG2 ILE 59 -7.428 -8.266 -0.525 430 HD11 ILE 59 1HD1 ILE 59 -10.635 -8.030 -3.403 431 HD12 ILE 59 2HD1 ILE 59 -9.361 -8.993 -4.190 432 HD13 ILE 59 3HD1 ILE 59 -9.743 -9.254 -2.471 433 H ALA 60 H ALA 60 -4.589 -8.324 -3.907 434 HA ALA 60 HA ALA 60 -3.068 -9.473 -1.794 435 HB1 ALA 60 1HB ALA 60 -1.475 -10.115 -3.565 436 HB2 ALA 60 2HB ALA 60 -3.156 -10.432 -4.054 437 HB3 ALA 60 3HB ALA 60 -2.295 -9.015 -4.697 438 H LYS 61 H LYS 61 -2.500 -6.582 -3.778 439 HA LYS 61 HA LYS 61 0.136 -6.046 -2.748 440 HB2 LYS 61 1HB LYS 61 -0.802 -5.067 -4.856 441 HB3 LYS 61 2HB LYS 61 -1.908 -4.100 -3.890 442 HG2 LYS 61 1HG LYS 61 -0.030 -2.920 -2.859 443 HG3 LYS 61 2HG LYS 61 1.117 -3.934 -3.747 444 HD2 LYS 61 1HD LYS 61 0.227 -3.080 -5.888 445 HD3 LYS 61 2HD LYS 61 -0.937 -2.078 -5.008 446 HE2 LYS 61 1HE LYS 61 0.934 -0.870 -3.920 447 HE3 LYS 61 2HE LYS 61 2.090 -1.862 -4.812 448 HZ1 LYS 61 1HZ LYS 61 1.730 0.244 -5.873 449 HZ2 LYS 61 2HZ LYS 61 1.192 -0.971 -6.851 450 HZ3 LYS 61 3HZ LYS 61 0.113 -0.044 -6.018 451 H ARG 62 H ARG 62 -3.081 -4.831 -1.813 452 HA ARG 62 HA ARG 62 -2.112 -3.075 0.244 453 HB2 ARG 62 1HB ARG 62 -4.779 -4.472 -0.173 454 HB3 ARG 62 2HB ARG 62 -4.486 -3.343 1.141 455 HG2 ARG 62 1HG ARG 62 -4.127 -1.529 -0.399 456 HG3 ARG 62 2HG ARG 62 -4.188 -2.641 -1.788 457 HD2 ARG 62 1HD ARG 62 -6.272 -1.508 -1.600 458 HD3 ARG 62 2HD ARG 62 -6.502 -3.214 -1.153 459 HE ARG 62 HE ARG 62 -5.962 -1.570 1.140 460 HH11 ARG 62 1HH1 ARG 62 -8.475 -2.519 -1.124 461 HH12 ARG 62 2HH1 ARG 62 -9.779 -2.209 -0.000 462 HH21 ARG 62 1HH2 ARG 62 -7.664 -1.171 2.590 463 HH22 ARG 62 2HH2 ARG 62 -9.321 -1.446 2.102 464 H LEU 63 H LEU 63 -3.110 -6.479 0.297 465 HA LEU 63 HA LEU 63 -2.827 -6.777 3.155 466 HB2 LEU 63 1HB LEU 63 -2.747 -8.754 0.844 467 HB3 LEU 63 2HB LEU 63 -2.641 -9.244 2.538 468 HG LEU 63 HG LEU 63 -5.001 -7.771 1.314 469 HD11 LEU 63 1HD1 LEU 63 -6.136 -9.944 1.444 470 HD12 LEU 63 2HD1 LEU 63 -4.733 -10.000 0.352 471 HD13 LEU 63 3HD1 LEU 63 -4.621 -10.704 1.983 472 HD21 LEU 63 1HD2 LEU 63 -6.105 -8.410 3.431 473 HD22 LEU 63 2HD2 LEU 63 -4.588 -9.150 3.999 474 HD23 LEU 63 3HD2 LEU 63 -4.677 -7.392 3.735 475 H ALA 64 H ALA 64 -0.608 -7.269 0.431 476 HA ALA 64 HA ALA 64 1.563 -8.304 1.952 477 HB1 ALA 64 1HB ALA 64 2.974 -7.529 0.082 478 HB2 ALA 64 2HB ALA 64 1.508 -8.350 -0.504 479 HB3 ALA 64 3HB ALA 64 1.612 -6.575 -0.547 480 H ALA 65 H ALA 65 0.709 -4.944 1.120 481 HA ALA 65 HA ALA 65 2.959 -3.790 2.487 482 HB1 ALA 65 1HB ALA 65 1.699 -1.677 2.303 483 HB2 ALA 65 2HB ALA 65 1.700 -2.572 0.764 484 HB3 ALA 65 3HB ALA 65 0.255 -2.585 1.802 485 H HIS 66 H HIS 66 -0.371 -4.512 3.480 486 HA HIS 66 HA HIS 66 -0.256 -3.352 6.079 487 HB2 HIS 66 1HB HIS 66 -2.360 -4.180 5.107 488 HB3 HIS 66 2HB HIS 66 -1.739 -5.824 5.088 489 HD2 HIS 66 HD2 HIS 66 -2.371 -7.293 7.447 490 HE1 HIS 66 HE1 HIS 66 -3.383 -3.888 9.778 491 H ARG 67 H ARG 67 0.435 -6.724 5.106 492 HA ARG 67 HA ARG 67 1.378 -7.537 7.690 493 HB2 ARG 67 1HB ARG 67 2.002 -8.565 4.896 494 HB3 ARG 67 2HB ARG 67 2.549 -9.352 6.369 495 HG2 ARG 67 1HG ARG 67 0.216 -9.725 7.048 496 HG3 ARG 67 2HG ARG 67 -0.338 -8.927 5.556 497 HD2 ARG 67 1HD ARG 67 0.869 -10.615 4.249 498 HD3 ARG 67 2HD ARG 67 1.311 -11.435 5.764 499 HE ARG 67 HE ARG 67 -1.263 -11.453 4.425 500 HH11 ARG 67 1HH1 ARG 67 0.421 -11.914 7.474 501 HH12 ARG 67 2HH1 ARG 67 -0.823 -12.943 8.149 502 HH21 ARG 67 1HH2 ARG 67 -2.870 -12.789 5.312 503 HH22 ARG 67 2HH2 ARG 67 -2.686 -13.439 6.926 504 H MET 68 H MET 68 3.049 -6.131 4.895 505 HA MET 68 HA MET 68 5.710 -6.297 5.817 506 HB2 MET 68 1HB MET 68 5.116 -5.440 3.598 507 HB3 MET 68 2HB MET 68 4.323 -4.045 4.316 508 HG2 MET 68 1HG MET 68 6.628 -3.501 5.348 509 HG3 MET 68 2HG MET 68 7.270 -4.673 4.194 510 HE1 MET 68 1HE MET 68 5.251 -0.655 3.144 511 HE2 MET 68 2HE MET 68 4.371 -1.952 3.990 512 HE3 MET 68 3HE MET 68 5.760 -1.159 4.773 513 H TRP 69 H TRP 69 3.345 -3.701 6.483 514 HA TRP 69 HA TRP 69 5.037 -2.222 8.247 515 HB2 TRP 69 1HB TRP 69 2.893 -1.374 7.261 516 HB3 TRP 69 2HB TRP 69 2.000 -2.482 8.292 517 HD1 TRP 69 HD1 TRP 69 1.207 -1.493 10.528 518 HE1 TRP 69 HE1 TRP 69 1.822 0.552 11.985 519 HE3 TRP 69 HE3 TRP 69 5.239 0.198 7.847 520 HZ2 TRP 69 HZ2 TRP 69 3.771 2.595 11.978 521 HZ3 TRP 69 HZ3 TRP 69 6.435 2.205 8.626 522 HH2 TRP 69 HH2 TRP 69 5.719 3.388 10.660 523 H MET 70 H MET 70 2.643 -4.773 8.937 524 HA MET 70 HA MET 70 2.922 -4.796 11.760 525 HB2 MET 70 1HB MET 70 2.347 -7.039 9.794 526 HB3 MET 70 2HB MET 70 2.253 -7.229 11.539 527 HG2 MET 70 1HG MET 70 0.475 -5.567 11.665 528 HG3 MET 70 2HG MET 70 0.613 -5.247 9.934 529 HE1 MET 70 1HE MET 70 -0.983 -9.169 11.795 530 HE2 MET 70 2HE MET 70 0.718 -8.664 11.956 531 HE3 MET 70 3HE MET 70 -0.573 -7.703 12.719 532 H ARG 71 H ARG 71 4.883 -6.392 9.270 533 HA ARG 71 HA ARG 71 6.567 -7.793 11.166 534 HB2 ARG 71 1HB ARG 71 6.363 -8.464 8.784 535 HB3 ARG 71 2HB ARG 71 7.097 -6.946 8.289 536 HG2 ARG 71 1HG ARG 71 8.746 -8.670 8.164 537 HG3 ARG 71 2HG ARG 71 9.169 -7.603 9.526 538 HD2 ARG 71 1HD ARG 71 8.139 -9.193 11.065 539 HD3 ARG 71 2HD ARG 71 7.780 -10.267 9.693 540 HE ARG 71 HE ARG 71 10.372 -9.783 10.949 541 HH11 ARG 71 1HH1 ARG 71 8.632 -11.083 8.188 542 HH12 ARG 71 2HH1 ARG 71 9.941 -12.137 7.700 543 HH21 ARG 71 1HH2 ARG 71 12.064 -11.154 10.306 544 HH22 ARG 71 2HH2 ARG 71 11.884 -12.178 8.898 545 H LEU 72 H LEU 72 6.894 -4.704 9.424 546 HA LEU 72 HA LEU 72 9.443 -3.979 10.459 547 HB2 LEU 72 1HB LEU 72 7.019 -2.295 9.716 548 HB3 LEU 72 2HB LEU 72 8.597 -1.611 10.120 549 HG LEU 72 HG LEU 72 8.088 -3.496 7.791 550 HD11 LEU 72 1HD1 LEU 72 8.281 -1.481 6.402 551 HD12 LEU 72 2HD1 LEU 72 6.891 -1.386 7.509 552 HD13 LEU 72 3HD1 LEU 72 8.379 -0.479 7.869 553 HD21 LEU 72 1HD2 LEU 72 10.337 -2.744 7.096 554 HD22 LEU 72 2HD2 LEU 72 10.465 -1.759 8.573 555 HD23 LEU 72 3HD2 LEU 72 10.391 -3.533 8.690 556 H GLN 73 H GLN 73 6.224 -3.747 11.889 557 HA GLN 73 HA GLN 73 7.404 -2.464 14.305 558 HB2 GLN 73 1HB GLN 73 4.503 -3.083 13.603 559 HB3 GLN 73 2HB GLN 73 5.049 -2.200 15.021 560 HG2 GLN 73 1HG GLN 73 5.448 -1.316 12.155 561 HG3 GLN 73 2HG GLN 73 4.192 -0.718 13.276 562 HE21 GLN 73 1HE2 GLN 73 7.594 1.227 13.105 563 HE22 GLN 73 2HE2 GLN 73 6.861 0.280 11.853 564 H GLU 74 H GLU 74 7.737 -5.352 13.378 565 HA GLU 74 HA GLU 74 6.609 -6.704 15.795 566 HB2 GLU 74 1HB GLU 74 6.250 -7.747 13.531 567 HB3 GLU 74 2HB GLU 74 7.992 -7.892 13.352 568 HG2 GLU 74 1HG GLU 74 8.092 -9.382 15.289 569 HG3 GLU 74 2HG GLU 74 6.356 -9.203 15.534 Start of MODEL 2 1 H1 ILE 8 1H ILE 8 -0.424 -1.494 -1.659 2 H2 ILE 8 2H ILE 8 -0.511 -1.212 -0.053 3 H3 ILE 8 3H ILE 8 -0.525 0.038 -1.103 4 HA ILE 8 HA ILE 8 1.653 -1.061 0.140 5 HB ILE 8 HB ILE 8 3.030 -1.654 -1.836 6 HG12 ILE 8 1HG1 ILE 8 0.483 -1.484 -3.460 7 HG13 ILE 8 2HG1 ILE 8 1.726 -0.243 -3.437 8 HG21 ILE 8 1HG2 ILE 8 2.006 -3.826 -2.381 9 HG22 ILE 8 2HG2 ILE 8 1.873 -3.475 -0.642 10 HG23 ILE 8 3HG2 ILE 8 0.458 -3.271 -1.701 11 HD11 ILE 8 1HD1 ILE 8 1.965 -1.689 -5.377 12 HD12 ILE 8 2HD1 ILE 8 3.370 -1.855 -4.296 13 HD13 ILE 8 3HD1 ILE 8 2.110 -3.113 -4.321 14 H GLY 9 H GLY 9 0.066 1.085 -2.029 15 HA2 GLY 9 1HA GLY 9 2.209 2.889 -2.538 16 HA3 GLY 9 2HA GLY 9 0.480 3.306 -2.515 17 H TRP 10 H TRP 10 -0.337 3.000 -0.011 18 HA TRP 10 HA TRP 10 0.655 5.267 1.382 19 HB2 TRP 10 1HB TRP 10 -0.698 4.517 3.240 20 HB3 TRP 10 2HB TRP 10 -1.579 4.169 1.759 21 HD1 TRP 10 HD1 TRP 10 -1.872 1.578 1.064 22 HE1 TRP 10 HE1 TRP 10 -1.702 -0.608 2.434 23 HE3 TRP 10 HE3 TRP 10 0.600 3.410 5.168 24 HZ2 TRP 10 HZ2 TRP 10 -0.648 -1.422 4.924 25 HZ3 TRP 10 HZ3 TRP 10 1.158 1.874 7.010 26 HH2 TRP 10 HH2 TRP 10 0.550 -0.506 6.895 27 H LEU 11 H LEU 11 1.581 1.864 1.591 28 HA LEU 11 HA LEU 11 3.210 2.184 3.959 29 HB2 LEU 11 1HB LEU 11 2.313 -0.004 3.127 30 HB3 LEU 11 2HB LEU 11 3.387 0.115 1.729 31 HG LEU 11 HG LEU 11 5.348 0.033 3.265 32 HD11 LEU 11 1HD1 LEU 11 4.984 -0.596 5.609 33 HD12 LEU 11 2HD1 LEU 11 4.275 0.992 5.237 34 HD13 LEU 11 3HD1 LEU 11 3.227 -0.439 5.379 35 HD21 LEU 11 1HD2 LEU 11 5.087 -2.360 3.826 36 HD22 LEU 11 2HD2 LEU 11 3.330 -2.229 3.570 37 HD23 LEU 11 3HD2 LEU 11 4.447 -2.010 2.202 38 H GLN 12 H GLN 12 3.987 2.117 0.480 39 HA GLN 12 HA GLN 12 6.791 2.576 0.786 40 HB2 GLN 12 1HB GLN 12 5.672 1.885 -1.350 41 HB3 GLN 12 2HB GLN 12 4.950 3.483 -1.468 42 HG2 GLN 12 1HG GLN 12 7.167 4.500 -1.634 43 HG3 GLN 12 2HG GLN 12 7.916 2.885 -1.484 44 HE21 GLN 12 1HE2 GLN 12 7.987 3.462 -5.049 45 HE22 GLN 12 2HE2 GLN 12 8.822 3.915 -3.600 46 H GLU 13 H GLU 13 4.056 4.825 0.618 47 HA GLU 13 HA GLU 13 5.595 7.235 0.544 48 HB2 GLU 13 1HB GLU 13 2.835 6.605 1.662 49 HB3 GLU 13 2HB GLU 13 3.505 8.230 1.633 50 HG2 GLU 13 1HG GLU 13 3.594 8.227 -0.772 51 HG3 GLU 13 2HG GLU 13 3.151 6.523 -0.837 52 H MET 14 H MET 14 4.305 5.399 3.318 53 HA MET 14 HA MET 14 5.372 7.119 5.341 54 HB2 MET 14 1HB MET 14 4.714 4.156 5.324 55 HB3 MET 14 2HB MET 14 5.240 5.014 6.764 56 HG2 MET 14 1HG MET 14 2.751 5.633 5.148 57 HG3 MET 14 2HG MET 14 2.807 4.770 6.686 58 HE1 MET 14 1HE MET 14 3.905 7.532 9.206 59 HE2 MET 14 2HE MET 14 3.326 5.860 9.003 60 HE3 MET 14 3HE MET 14 4.931 6.328 8.390 61 H CYS 15 H CYS 15 6.775 4.302 3.688 62 HA CYS 15 HA CYS 15 9.210 4.068 5.189 63 HB2 CYS 15 1HB CYS 15 8.640 3.413 2.340 64 HB3 CYS 15 2HB CYS 15 10.116 3.022 3.212 65 HG CYS 15 HG CYS 15 8.532 1.930 5.237 66 H MET 16 H MET 16 8.417 5.936 2.227 67 HA MET 16 HA MET 16 11.000 7.151 1.924 68 HB2 MET 16 1HB MET 16 8.222 7.998 1.043 69 HB3 MET 16 2HB MET 16 9.677 8.888 0.617 70 HG2 MET 16 1HG MET 16 10.553 6.746 -0.426 71 HG3 MET 16 2HG MET 16 8.943 6.064 -0.183 72 HE1 MET 16 1HE MET 16 6.680 8.100 -2.543 73 HE2 MET 16 2HE MET 16 6.858 6.628 -1.556 74 HE3 MET 16 3HE MET 16 6.876 8.230 -0.778 75 H GLN 17 H GLN 17 8.085 8.196 3.670 76 HA GLN 17 HA GLN 17 9.191 10.706 4.547 77 HB2 GLN 17 1HB GLN 17 6.987 8.926 5.661 78 HB3 GLN 17 2HB GLN 17 7.402 10.485 6.358 79 HG2 GLN 17 1HG GLN 17 6.819 11.616 4.291 80 HG3 GLN 17 2HG GLN 17 6.489 10.045 3.507 81 HE21 GLN 17 1HE2 GLN 17 3.188 11.240 4.390 82 HE22 GLN 17 2HE2 GLN 17 4.436 11.517 3.221 83 H ARG 18 H ARG 18 9.528 7.422 5.688 84 HA ARG 18 HA ARG 18 10.905 8.339 8.154 85 HB2 ARG 18 1HB ARG 18 10.314 5.573 7.032 86 HB3 ARG 18 2HB ARG 18 11.176 5.865 8.534 87 HG2 ARG 18 1HG ARG 18 9.220 6.858 9.540 88 HG3 ARG 18 2HG ARG 18 8.338 6.773 7.996 89 HD2 ARG 18 1HD ARG 18 8.518 4.345 8.041 90 HD3 ARG 18 2HD ARG 18 9.368 4.444 9.601 91 HE ARG 18 HE ARG 18 7.015 5.837 9.980 92 HH11 ARG 18 1HH1 ARG 18 7.881 2.581 8.985 93 HH12 ARG 18 2HH1 ARG 18 6.434 1.858 9.652 94 HH21 ARG 18 1HH2 ARG 18 5.142 4.887 10.842 95 HH22 ARG 18 2HH2 ARG 18 4.883 3.162 10.704 96 H ARG 19 H ARG 19 11.769 8.326 5.059 97 HA ARG 19 HA ARG 19 13.846 8.399 4.019 98 HB2 ARG 19 1HB ARG 19 14.833 8.519 6.896 99 HB3 ARG 19 2HB ARG 19 15.813 8.852 5.477 100 HG2 ARG 19 1HG ARG 19 14.354 10.769 4.927 101 HG3 ARG 19 2HG ARG 19 13.409 10.444 6.400 102 HD2 ARG 19 1HD ARG 19 15.501 10.699 7.705 103 HD3 ARG 19 2HD ARG 19 16.309 11.212 6.206 104 HE ARG 19 HE ARG 19 13.993 12.779 6.534 105 HH11 ARG 19 1HH1 ARG 19 17.102 12.256 8.083 106 HH12 ARG 19 2HH1 ARG 19 17.206 13.887 8.708 107 HH21 ARG 19 1HH2 ARG 19 14.139 14.893 7.351 108 HH22 ARG 19 2HH2 ARG 19 15.529 15.380 8.295 109 H TRP 20 H TRP 20 12.697 5.878 4.342 110 HA TRP 20 HA TRP 20 15.044 4.125 4.928 111 HB2 TRP 20 1HB TRP 20 12.084 3.556 4.504 112 HB3 TRP 20 2HB TRP 20 13.300 2.289 4.591 113 HD1 TRP 20 HD1 TRP 20 14.638 4.539 7.010 114 HE1 TRP 20 HE1 TRP 20 13.808 4.064 9.413 115 HE3 TRP 20 HE3 TRP 20 10.597 1.590 5.879 116 HZ2 TRP 20 HZ2 TRP 20 11.710 2.627 10.638 117 HZ3 TRP 20 HZ3 TRP 20 9.220 0.695 7.714 118 HH2 TRP 20 HH2 TRP 20 9.760 1.204 10.059 119 HA PRO 21 HA PRO 21 16.073 3.232 0.769 120 HB2 PRO 21 1HB PRO 21 15.637 0.317 1.538 121 HB3 PRO 21 2HB PRO 21 17.057 1.051 0.781 122 HG2 PRO 21 1HG PRO 21 17.195 0.401 3.359 123 HG3 PRO 21 2HG PRO 21 17.862 1.950 2.833 124 HD2 PRO 21 1HD PRO 21 15.192 1.366 4.174 125 HD3 PRO 21 2HD PRO 21 16.358 2.711 4.494 126 HA PRO 22 HA PRO 22 12.354 2.976 -1.442 127 HB2 PRO 22 1HB PRO 22 14.154 1.497 -3.425 128 HB3 PRO 22 2HB PRO 22 13.026 2.821 -3.747 129 HG2 PRO 22 1HG PRO 22 15.620 3.385 -3.659 130 HG3 PRO 22 2HG PRO 22 14.490 4.474 -2.849 131 HD2 PRO 22 1HD PRO 22 16.285 2.336 -1.654 132 HD3 PRO 22 2HD PRO 22 15.877 3.978 -1.012 133 HA PRO 23 HA PRO 23 11.175 -1.111 -0.103 134 HB2 PRO 23 1HB PRO 23 8.582 0.099 -1.144 135 HB3 PRO 23 2HB PRO 23 8.863 -0.746 0.384 136 HG2 PRO 23 1HG PRO 23 8.597 1.898 0.446 137 HG3 PRO 23 2HG PRO 23 9.872 1.151 1.412 138 HD2 PRO 23 1HD PRO 23 10.077 2.529 -1.298 139 HD3 PRO 23 2HD PRO 23 11.164 2.678 0.141 140 H SER 24 H SER 24 10.922 -2.928 -1.140 141 HA SER 24 HA SER 24 10.815 -2.801 -4.155 142 HB2 SER 24 1HB SER 24 12.771 -3.759 -3.312 143 HB3 SER 24 2HB SER 24 11.861 -4.877 -2.308 144 HG SER 24 HG SER 24 12.504 -5.779 -4.264 145 H TYR 25 H TYR 25 8.968 -3.362 -5.108 146 HA TYR 25 HA TYR 25 7.212 -5.378 -3.741 147 HB2 TYR 25 1HB TYR 25 6.348 -3.008 -5.445 148 HB3 TYR 25 2HB TYR 25 5.280 -4.244 -4.796 149 HD1 TYR 25 HD1 TYR 25 6.972 -1.137 -4.168 150 HD2 TYR 25 HD2 TYR 25 5.079 -4.491 -2.277 151 HE1 TYR 25 HE1 TYR 25 6.700 0.184 -2.096 152 HE2 TYR 25 HE2 TYR 25 4.807 -3.171 -0.206 153 HH TYR 25 HH TYR 25 5.962 0.188 -0.001 154 H GLU 26 H GLU 26 6.495 -7.054 -4.864 155 HA GLU 26 HA GLU 26 6.933 -7.028 -7.830 156 HB2 GLU 26 1HB GLU 26 7.429 -9.347 -5.914 157 HB3 GLU 26 2HB GLU 26 7.477 -9.458 -7.667 158 HG2 GLU 26 1HG GLU 26 9.361 -7.875 -7.719 159 HG3 GLU 26 2HG GLU 26 9.312 -7.761 -5.961 160 H THR 27 H THR 27 5.424 -7.959 -9.094 161 HA THR 27 HA THR 27 2.885 -8.701 -7.672 162 HB THR 27 HB THR 27 3.214 -7.150 -10.280 163 HG1 THR 27 HG1 THR 27 3.597 -5.924 -8.353 164 HG21 THR 27 1HG2 THR 27 0.761 -6.943 -10.188 165 HG22 THR 27 2HG2 THR 27 1.252 -8.651 -10.291 166 HG23 THR 27 3HG2 THR 27 0.724 -7.969 -8.735 167 H GLU 28 H GLU 28 2.153 -10.632 -8.010 168 HA GLU 28 HA GLU 28 3.107 -12.183 -10.356 169 HB2 GLU 28 1HB GLU 28 1.310 -12.938 -8.012 170 HB3 GLU 28 2HB GLU 28 1.821 -14.040 -9.283 171 HG2 GLU 28 1HG GLU 28 3.643 -12.637 -7.315 172 HG3 GLU 28 2HG GLU 28 3.128 -14.321 -7.241 173 H THR 29 H THR 29 1.644 -13.355 -11.709 174 HA THR 29 HA THR 29 -0.923 -11.875 -12.150 175 HB THR 29 HB THR 29 1.122 -12.610 -14.293 176 HG1 THR 29 HG1 THR 29 1.224 -10.302 -14.504 177 HG21 THR 29 1HG2 THR 29 -0.425 -11.446 -15.817 178 HG22 THR 29 2HG2 THR 29 -1.218 -12.843 -15.051 179 HG23 THR 29 3HG2 THR 29 -1.566 -11.196 -14.476 180 H GLU 30 H GLU 30 -2.629 -13.067 -12.450 181 HA GLU 30 HA GLU 30 -3.935 -14.985 -12.643 182 HB2 GLU 30 1HB GLU 30 -1.770 -15.637 -14.687 183 HB3 GLU 30 2HB GLU 30 -3.278 -16.524 -14.520 184 HG2 GLU 30 1HG GLU 30 -4.554 -14.533 -15.110 185 HG3 GLU 30 2HG GLU 30 -3.074 -13.581 -15.191 186 H VAL 31 H VAL 31 -2.875 -15.232 -10.376 187 HA VAL 31 HA VAL 31 -1.227 -17.692 -10.148 188 HB VAL 31 HB VAL 31 -2.608 -15.964 -8.037 189 HG11 VAL 31 1HG1 VAL 31 -1.136 -17.099 -6.447 190 HG12 VAL 31 2HG1 VAL 31 -2.230 -18.236 -7.270 191 HG13 VAL 31 3HG1 VAL 31 -0.521 -18.135 -7.756 192 HG21 VAL 31 1HG2 VAL 31 -0.341 -15.064 -7.622 193 HG22 VAL 31 2HG2 VAL 31 0.291 -16.036 -8.972 194 HG23 VAL 31 3HG2 VAL 31 -0.872 -14.726 -9.286 195 H GLY 32 H GLY 32 -1.828 -19.655 -9.799 196 HA2 GLY 32 1HA GLY 32 -3.193 -21.390 -8.992 197 HA3 GLY 32 2HA GLY 32 -4.476 -20.208 -8.644 198 H LEU 33 H LEU 33 -6.152 -21.275 -9.626 199 HA LEU 33 HA LEU 33 -5.868 -22.465 -12.276 200 HB2 LEU 33 1HB LEU 33 -8.324 -21.873 -10.573 201 HB3 LEU 33 2HB LEU 33 -8.329 -22.825 -12.060 202 HG LEU 33 HG LEU 33 -6.860 -23.575 -9.507 203 HD11 LEU 33 1HD1 LEU 33 -8.606 -25.287 -9.295 204 HD12 LEU 33 2HD1 LEU 33 -9.286 -23.644 -9.243 205 HD13 LEU 33 3HD1 LEU 33 -9.433 -24.621 -10.723 206 HD21 LEU 33 1HD2 LEU 33 -6.550 -25.738 -10.663 207 HD22 LEU 33 2HD2 LEU 33 -7.348 -25.079 -12.111 208 HD23 LEU 33 3HD2 LEU 33 -5.788 -24.412 -11.572 209 HA PRO 34 HA PRO 34 -6.804 -19.080 -14.929 210 HB2 PRO 34 1HB PRO 34 -8.588 -21.150 -16.274 211 HB3 PRO 34 2HB PRO 34 -7.353 -20.121 -17.011 212 HG2 PRO 34 1HG PRO 34 -6.786 -22.692 -16.645 213 HG3 PRO 34 2HG PRO 34 -5.557 -21.488 -16.249 214 HD2 PRO 34 1HD PRO 34 -7.454 -22.974 -14.386 215 HD3 PRO 34 2HD PRO 34 -5.691 -22.625 -14.175 216 H HIS 35 H HIS 35 -9.418 -21.216 -13.822 217 HA HIS 35 HA HIS 35 -11.458 -19.172 -14.151 218 HB2 HIS 35 1HB HIS 35 -12.044 -21.569 -14.084 219 HB3 HIS 35 2HB HIS 35 -11.394 -21.705 -12.456 220 HD2 HIS 35 HD2 HIS 35 -13.338 -21.246 -10.424 221 HE1 HIS 35 HE1 HIS 35 -16.173 -19.401 -12.994 222 H GLU 36 H GLU 36 -9.925 -20.533 -11.217 223 HA GLU 36 HA GLU 36 -10.862 -18.220 -9.646 224 HB2 GLU 36 1HB GLU 36 -9.068 -20.570 -8.900 225 HB3 GLU 36 2HB GLU 36 -9.689 -19.369 -7.777 226 HG2 GLU 36 1HG GLU 36 -11.969 -20.100 -8.185 227 HG3 GLU 36 2HG GLU 36 -11.418 -21.228 -9.421 228 H ARG 37 H ARG 37 -9.628 -16.871 -11.341 229 HA ARG 37 HA ARG 37 -6.758 -16.751 -11.192 230 HB2 ARG 37 1HB ARG 37 -8.237 -15.755 -13.009 231 HB3 ARG 37 2HB ARG 37 -8.672 -14.488 -11.872 232 HG2 ARG 37 1HG ARG 37 -6.275 -13.844 -11.718 233 HG3 ARG 37 2HG ARG 37 -5.907 -15.066 -12.959 234 HD2 ARG 37 1HD ARG 37 -6.105 -12.897 -13.960 235 HD3 ARG 37 2HD ARG 37 -7.450 -13.934 -14.486 236 HE ARG 37 HE ARG 37 -8.115 -12.339 -12.178 237 HH11 ARG 37 1HH1 ARG 37 -7.837 -12.307 -15.680 238 HH12 ARG 37 2HH1 ARG 37 -8.997 -11.014 -15.886 239 HH21 ARG 37 1HH2 ARG 37 -9.620 -10.662 -12.458 240 HH22 ARG 37 2HH2 ARG 37 -10.007 -10.082 -14.062 241 H LEU 38 H LEU 38 -5.687 -16.468 -9.395 242 HA LEU 38 HA LEU 38 -6.567 -14.260 -7.574 243 HB2 LEU 38 1HB LEU 38 -4.554 -16.488 -7.070 244 HB3 LEU 38 2HB LEU 38 -5.146 -15.316 -5.888 245 HG LEU 38 HG LEU 38 -6.815 -17.487 -7.208 246 HD11 LEU 38 1HD1 LEU 38 -6.779 -18.513 -4.979 247 HD12 LEU 38 2HD1 LEU 38 -5.143 -18.376 -5.666 248 HD13 LEU 38 3HD1 LEU 38 -5.679 -17.236 -4.409 249 HD21 LEU 38 1HD2 LEU 38 -8.517 -16.796 -5.555 250 HD22 LEU 38 2HD2 LEU 38 -7.442 -15.494 -4.991 251 HD23 LEU 38 3HD2 LEU 38 -8.101 -15.452 -6.644 252 H PHE 39 H PHE 39 -4.784 -13.075 -6.486 253 HA PHE 39 HA PHE 39 -2.356 -12.810 -8.212 254 HB2 PHE 39 1HB PHE 39 -4.008 -10.499 -7.104 255 HB3 PHE 39 2HB PHE 39 -2.465 -10.345 -7.930 256 HD1 PHE 39 HD1 PHE 39 -6.038 -10.787 -8.306 257 HD2 PHE 39 HD2 PHE 39 -2.287 -10.914 -10.347 258 HE1 PHE 39 HE1 PHE 39 -7.215 -10.644 -10.475 259 HE2 PHE 39 HE2 PHE 39 -3.460 -10.769 -12.518 260 HZ PHE 39 HZ PHE 39 -5.926 -10.636 -12.581 261 H THR 40 H THR 40 -0.487 -12.178 -7.211 262 HA THR 40 HA THR 40 -0.584 -12.131 -4.218 263 HB THR 40 HB THR 40 1.354 -13.757 -5.924 264 HG1 THR 40 HG1 THR 40 0.291 -15.518 -4.851 265 HG21 THR 40 1HG2 THR 40 2.198 -14.562 -3.754 266 HG22 THR 40 2HG2 THR 40 2.393 -12.799 -3.898 267 HG23 THR 40 3HG2 THR 40 1.077 -13.471 -2.908 268 H ILE 41 H ILE 41 0.492 -10.577 -3.301 269 HA ILE 41 HA ILE 41 2.579 -9.146 -4.930 270 HB ILE 41 HB ILE 41 0.869 -8.113 -2.611 271 HG12 ILE 41 1HG1 ILE 41 -0.452 -8.437 -4.648 272 HG13 ILE 41 2HG1 ILE 41 -0.277 -6.739 -4.233 273 HG21 ILE 41 1HG2 ILE 41 1.862 -5.931 -3.170 274 HG22 ILE 41 2HG2 ILE 41 3.117 -7.104 -2.706 275 HG23 ILE 41 3HG2 ILE 41 2.865 -6.703 -4.421 276 HD11 ILE 41 1HD1 ILE 41 -0.051 -7.084 -6.629 277 HD12 ILE 41 2HD1 ILE 41 1.478 -6.491 -5.935 278 HD13 ILE 41 3HD1 ILE 41 1.299 -8.210 -6.357 279 H ALA 42 H ALA 42 4.565 -9.270 -4.393 280 HA ALA 42 HA ALA 42 5.203 -10.163 -1.618 281 HB1 ALA 42 1HB ALA 42 7.416 -10.764 -2.530 282 HB2 ALA 42 2HB ALA 42 6.104 -11.589 -3.405 283 HB3 ALA 42 3HB ALA 42 6.911 -10.180 -4.132 284 H CYS 43 H CYS 43 6.255 -8.929 -0.228 285 HA CYS 43 HA CYS 43 7.193 -6.199 -1.171 286 HB2 CYS 43 1HB CYS 43 5.122 -6.042 0.009 287 HB3 CYS 43 2HB CYS 43 5.827 -6.870 1.390 288 HG CYS 43 HG CYS 43 5.526 -4.292 1.769 289 H SER 44 H SER 44 9.214 -5.649 -0.611 290 HA SER 44 HA SER 44 10.554 -7.067 1.711 291 HB2 SER 44 1HB SER 44 11.389 -8.050 -0.251 292 HB3 SER 44 2HB SER 44 11.768 -6.476 -0.934 293 HG SER 44 HG SER 44 13.529 -7.442 0.077 294 H ILE 45 H ILE 45 10.930 -5.580 3.231 295 HA ILE 45 HA ILE 45 12.013 -2.915 2.410 296 HB ILE 45 HB ILE 45 9.761 -3.380 4.431 297 HG12 ILE 45 1HG1 ILE 45 9.749 -1.890 1.795 298 HG13 ILE 45 2HG1 ILE 45 9.000 -3.451 2.096 299 HG21 ILE 45 1HG2 ILE 45 9.813 -0.935 4.717 300 HG22 ILE 45 2HG2 ILE 45 11.369 -1.666 5.177 301 HG23 ILE 45 3HG2 ILE 45 11.206 -0.832 3.614 302 HD11 ILE 45 1HD1 ILE 45 7.354 -1.663 2.154 303 HD12 ILE 45 2HD1 ILE 45 7.504 -2.428 3.754 304 HD13 ILE 45 3HD1 ILE 45 8.260 -0.846 3.448 305 H LEU 46 H LEU 46 13.706 -2.277 3.429 306 HA LEU 46 HA LEU 46 15.549 -2.435 4.831 307 HB2 LEU 46 1HB LEU 46 13.387 -3.231 6.825 308 HB3 LEU 46 2HB LEU 46 15.047 -2.804 7.252 309 HG LEU 46 HG LEU 46 13.057 -0.922 5.934 310 HD11 LEU 46 1HD1 LEU 46 12.949 0.140 8.145 311 HD12 LEU 46 2HD1 LEU 46 12.369 -1.541 8.194 312 HD13 LEU 46 3HD1 LEU 46 13.989 -1.141 8.811 313 HD21 LEU 46 1HD2 LEU 46 14.745 0.787 6.515 314 HD22 LEU 46 2HD2 LEU 46 15.812 -0.484 7.158 315 HD23 LEU 46 3HD2 LEU 46 15.427 -0.441 5.421 316 H ASN 47 H ASN 47 14.622 -4.646 7.128 317 HA ASN 47 HA ASN 47 16.070 -6.835 5.672 318 HB2 ASN 47 1HB ASN 47 15.878 -6.206 8.629 319 HB3 ASN 47 2HB ASN 47 16.564 -7.689 7.978 320 HD21 ASN 47 1HD2 ASN 47 19.154 -5.005 8.617 321 HD22 ASN 47 2HD2 ASN 47 17.819 -5.583 9.558 322 H TYR 48 H TYR 48 13.133 -6.093 5.707 323 HA TYR 48 HA TYR 48 12.097 -8.672 6.846 324 HB2 TYR 48 1HB TYR 48 10.643 -6.028 6.445 325 HB3 TYR 48 2HB TYR 48 9.918 -7.513 7.044 326 HD1 TYR 48 HD1 TYR 48 12.075 -4.671 7.835 327 HD2 TYR 48 HD2 TYR 48 10.450 -8.371 9.277 328 HE1 TYR 48 HE1 TYR 48 12.695 -4.044 10.144 329 HE2 TYR 48 HE2 TYR 48 11.070 -7.744 11.586 330 HH TYR 48 HH TYR 48 12.684 -4.650 12.281 331 H ARG 49 H ARG 49 10.787 -9.956 5.681 332 HA ARG 49 HA ARG 49 9.971 -9.040 2.965 333 HB2 ARG 49 1HB ARG 49 12.100 -10.316 2.702 334 HB3 ARG 49 2HB ARG 49 11.377 -11.678 3.543 335 HG2 ARG 49 1HG ARG 49 9.741 -11.957 1.755 336 HG3 ARG 49 2HG ARG 49 10.401 -10.534 0.914 337 HD2 ARG 49 1HD ARG 49 12.544 -11.650 0.704 338 HD3 ARG 49 2HD ARG 49 11.890 -13.070 1.551 339 HE ARG 49 HE ARG 49 11.355 -12.230 -1.197 340 HH11 ARG 49 1HH1 ARG 49 10.447 -14.303 1.489 341 HH12 ARG 49 2HH1 ARG 49 9.602 -15.454 0.479 342 HH21 ARG 49 1HH2 ARG 49 10.255 -13.731 -2.499 343 HH22 ARG 49 2HH2 ARG 49 9.492 -15.131 -1.778 344 H GLU 50 H GLU 50 7.934 -9.384 2.602 345 HA GLU 50 HA GLU 50 6.543 -11.670 3.872 346 HB2 GLU 50 1HB GLU 50 6.556 -9.719 5.532 347 HB3 GLU 50 2HB GLU 50 5.608 -8.816 4.358 348 HG2 GLU 50 1HG GLU 50 4.291 -9.898 6.180 349 HG3 GLU 50 2HG GLU 50 3.767 -10.300 4.547 350 H MET 51 H MET 51 4.522 -12.140 3.023 351 HA MET 51 HA MET 51 3.986 -10.799 0.394 352 HB2 MET 51 1HB MET 51 4.091 -13.788 0.941 353 HB3 MET 51 2HB MET 51 3.567 -13.048 -0.565 354 HG2 MET 51 1HG MET 51 5.805 -12.128 -0.927 355 HG3 MET 51 2HG MET 51 6.345 -12.779 0.623 356 HE1 MET 51 1HE MET 51 5.280 -15.279 -3.116 357 HE2 MET 51 2HE MET 51 4.062 -14.311 -2.250 358 HE3 MET 51 3HE MET 51 5.415 -13.504 -3.079 359 H GLY 52 H GLY 52 1.894 -10.889 -0.397 360 HA2 GLY 52 1HA GLY 52 -0.139 -12.236 1.289 361 HA3 GLY 52 2HA GLY 52 -0.327 -10.490 1.003 362 H LYS 53 H LYS 53 -2.251 -12.364 0.213 363 HA LYS 53 HA LYS 53 -2.239 -12.008 -2.722 364 HB2 LYS 53 1HB LYS 53 -2.615 -14.359 -3.208 365 HB3 LYS 53 2HB LYS 53 -1.073 -14.181 -2.383 366 HG2 LYS 53 1HG LYS 53 -2.132 -14.900 -0.263 367 HG3 LYS 53 2HG LYS 53 -3.667 -15.110 -1.117 368 HD2 LYS 53 1HD LYS 53 -2.604 -16.777 -2.611 369 HD3 LYS 53 2HD LYS 53 -1.075 -16.573 -1.743 370 HE2 LYS 53 1HE LYS 53 -2.130 -17.362 0.336 371 HE3 LYS 53 2HE LYS 53 -3.680 -17.522 -0.493 372 HZ1 LYS 53 1HZ LYS 53 -2.542 -19.613 -0.339 373 HZ2 LYS 53 2HZ LYS 53 -2.679 -19.170 -1.922 374 HZ3 LYS 53 3HZ LYS 53 -1.231 -19.021 -1.146 375 H GLY 54 H GLY 54 -4.264 -12.506 -3.725 376 HA2 GLY 54 1HA GLY 54 -6.602 -13.052 -2.110 377 HA3 GLY 54 2HA GLY 54 -6.447 -11.319 -2.477 378 H LYS 55 H LYS 55 -8.592 -11.921 -3.527 379 HA LYS 55 HA LYS 55 -8.419 -13.401 -6.062 380 HB2 LYS 55 1HB LYS 55 -10.650 -11.790 -4.762 381 HB3 LYS 55 2HB LYS 55 -10.813 -12.639 -6.293 382 HG2 LYS 55 1HG LYS 55 -10.341 -14.783 -5.151 383 HG3 LYS 55 2HG LYS 55 -10.204 -13.920 -3.613 384 HD2 LYS 55 1HD LYS 55 -12.534 -13.152 -3.811 385 HD3 LYS 55 2HD LYS 55 -12.678 -13.955 -5.382 386 HE2 LYS 55 1HE LYS 55 -12.210 -16.141 -4.279 387 HE3 LYS 55 2HE LYS 55 -12.147 -15.320 -2.717 388 HZ1 LYS 55 1HZ LYS 55 -14.290 -16.289 -3.119 389 HZ2 LYS 55 2HZ LYS 55 -14.427 -14.646 -3.044 390 HZ3 LYS 55 3HZ LYS 55 -14.486 -15.414 -4.503 391 H SER 56 H SER 56 -7.985 -10.150 -5.015 392 HA SER 56 HA SER 56 -7.830 -9.252 -7.912 393 HB2 SER 56 1HB SER 56 -8.857 -7.673 -5.614 394 HB3 SER 56 2HB SER 56 -8.549 -7.099 -7.246 395 HG SER 56 HG SER 56 -10.690 -7.704 -6.916 396 H LYS 57 H LYS 57 -6.280 -7.612 -8.310 397 HA LYS 57 HA LYS 57 -3.774 -7.891 -6.958 398 HB2 LYS 57 1HB LYS 57 -4.843 -5.729 -8.811 399 HB3 LYS 57 2HB LYS 57 -3.185 -5.774 -8.229 400 HG2 LYS 57 1HG LYS 57 -2.861 -7.972 -9.310 401 HG3 LYS 57 2HG LYS 57 -4.527 -7.916 -9.904 402 HD2 LYS 57 1HD LYS 57 -4.002 -5.817 -11.132 403 HD3 LYS 57 2HD LYS 57 -2.327 -5.926 -10.571 404 HE2 LYS 57 1HE LYS 57 -2.073 -8.095 -11.720 405 HE3 LYS 57 2HE LYS 57 -3.750 -8.012 -12.265 406 HZ1 LYS 57 1HZ LYS 57 -2.236 -7.283 -13.957 407 HZ2 LYS 57 2HZ LYS 57 -3.193 -6.024 -13.488 408 HZ3 LYS 57 3HZ LYS 57 -1.626 -6.102 -12.980 409 H LYS 58 H LYS 58 -6.336 -5.446 -6.660 410 HA LYS 58 HA LYS 58 -4.912 -3.748 -4.837 411 HB2 LYS 58 1HB LYS 58 -7.884 -4.200 -5.294 412 HB3 LYS 58 2HB LYS 58 -7.247 -2.976 -4.205 413 HG2 LYS 58 1HG LYS 58 -6.081 -1.896 -6.094 414 HG3 LYS 58 2HG LYS 58 -6.729 -3.126 -7.189 415 HD2 LYS 58 1HD LYS 58 -9.035 -2.432 -6.591 416 HD3 LYS 58 2HD LYS 58 -8.375 -1.187 -5.521 417 HE2 LYS 58 1HE LYS 58 -7.264 -0.110 -7.443 418 HE3 LYS 58 2HE LYS 58 -7.890 -1.362 -8.518 419 HZ1 LYS 58 1HZ LYS 58 -9.233 0.607 -8.582 420 HZ2 LYS 58 2HZ LYS 58 -10.112 -0.645 -7.965 421 HZ3 LYS 58 3HZ LYS 58 -9.527 0.526 -6.961 422 H ILE 59 H ILE 59 -7.049 -6.532 -4.308 423 HA ILE 59 HA ILE 59 -7.033 -6.377 -1.425 424 HB ILE 59 HB ILE 59 -7.390 -8.729 -3.346 425 HG12 ILE 59 1HG1 ILE 59 -9.462 -7.245 -1.718 426 HG13 ILE 59 2HG1 ILE 59 -9.087 -6.872 -3.394 427 HG21 ILE 59 1HG2 ILE 59 -8.288 -9.952 -1.407 428 HG22 ILE 59 2HG2 ILE 59 -6.584 -9.512 -1.151 429 HG23 ILE 59 3HG2 ILE 59 -7.872 -8.585 -0.347 430 HD11 ILE 59 1HD1 ILE 59 -11.051 -8.297 -3.230 431 HD12 ILE 59 2HD1 ILE 59 -9.725 -9.151 -4.057 432 HD13 ILE 59 3HD1 ILE 59 -10.106 -9.528 -2.359 433 H ALA 60 H ALA 60 -4.975 -8.224 -3.666 434 HA ALA 60 HA ALA 60 -3.374 -9.394 -1.621 435 HB1 ALA 60 1HB ALA 60 -1.728 -9.781 -3.419 436 HB2 ALA 60 2HB ALA 60 -3.376 -10.201 -3.942 437 HB3 ALA 60 3HB ALA 60 -2.633 -8.677 -4.480 438 H LYS 61 H LYS 61 -3.075 -6.321 -3.367 439 HA LYS 61 HA LYS 61 -0.531 -5.567 -2.273 440 HB2 LYS 61 1HB LYS 61 -2.871 -3.962 -3.356 441 HB3 LYS 61 2HB LYS 61 -1.390 -3.204 -2.786 442 HG2 LYS 61 1HG LYS 61 -0.091 -4.423 -4.477 443 HG3 LYS 61 2HG LYS 61 -1.562 -5.233 -5.034 444 HD2 LYS 61 1HD LYS 61 -2.548 -3.024 -5.602 445 HD3 LYS 61 2HD LYS 61 -1.052 -2.235 -5.080 446 HE2 LYS 61 1HE LYS 61 0.209 -3.480 -6.803 447 HE3 LYS 61 2HE LYS 61 -1.278 -4.276 -7.323 448 HZ1 LYS 61 1HZ LYS 61 -0.747 -2.409 -8.708 449 HZ2 LYS 61 2HZ LYS 61 -2.159 -2.122 -7.906 450 HZ3 LYS 61 3HZ LYS 61 -0.769 -1.378 -7.421 451 H ARG 62 H ARG 62 -3.853 -4.858 -1.183 452 HA ARG 62 HA ARG 62 -3.067 -3.250 1.054 453 HB2 ARG 62 1HB ARG 62 -5.542 -4.923 0.502 454 HB3 ARG 62 2HB ARG 62 -5.365 -3.933 1.942 455 HG2 ARG 62 1HG ARG 62 -5.249 -1.915 0.611 456 HG3 ARG 62 2HG ARG 62 -5.257 -2.869 -0.892 457 HD2 ARG 62 1HD ARG 62 -7.462 -3.731 -0.317 458 HD3 ARG 62 2HD ARG 62 -7.453 -2.742 1.162 459 HE ARG 62 HE ARG 62 -6.950 -1.020 -0.987 460 HH11 ARG 62 1HH1 ARG 62 -9.534 -3.110 0.152 461 HH12 ARG 62 2HH1 ARG 62 -10.803 -2.135 -0.554 462 HH21 ARG 62 1HH2 ARG 62 -8.606 0.237 -1.899 463 HH22 ARG 62 2HH2 ARG 62 -10.279 -0.240 -1.716 464 H LEU 63 H LEU 63 -3.688 -6.738 0.768 465 HA LEU 63 HA LEU 63 -3.354 -7.267 3.586 466 HB2 LEU 63 1HB LEU 63 -3.102 -9.024 1.114 467 HB3 LEU 63 2HB LEU 63 -2.982 -9.642 2.764 468 HG LEU 63 HG LEU 63 -5.435 -8.245 1.642 469 HD11 LEU 63 1HD1 LEU 63 -6.398 -10.498 1.504 470 HD12 LEU 63 2HD1 LEU 63 -4.983 -10.322 0.440 471 HD13 LEU 63 3HD1 LEU 63 -4.833 -11.196 1.983 472 HD21 LEU 63 1HD2 LEU 63 -6.507 -9.204 3.652 473 HD22 LEU 63 2HD2 LEU 63 -4.944 -9.885 4.162 474 HD23 LEU 63 3HD2 LEU 63 -5.167 -8.120 4.097 475 H ALA 64 H ALA 64 -1.128 -7.540 0.815 476 HA ALA 64 HA ALA 64 1.095 -8.484 2.321 477 HB1 ALA 64 1HB ALA 64 2.457 -7.684 0.424 478 HB2 ALA 64 2HB ALA 64 1.012 -8.561 -0.134 479 HB3 ALA 64 3HB ALA 64 1.055 -6.784 -0.199 480 H ALA 65 H ALA 65 0.019 -5.182 1.562 481 HA ALA 65 HA ALA 65 2.287 -3.870 2.711 482 HB1 ALA 65 1HB ALA 65 0.843 -1.869 2.736 483 HB2 ALA 65 2HB ALA 65 0.729 -2.736 1.186 484 HB3 ALA 65 3HB ALA 65 -0.572 -2.889 2.389 485 H HIS 66 H HIS 66 -0.901 -4.708 4.072 486 HA HIS 66 HA HIS 66 -0.424 -3.568 6.658 487 HB2 HIS 66 1HB HIS 66 -2.683 -4.205 5.899 488 HB3 HIS 66 2HB HIS 66 -2.205 -5.894 5.814 489 HD2 HIS 66 HD2 HIS 66 -2.781 -7.322 8.203 490 HE1 HIS 66 HE1 HIS 66 -3.122 -3.880 10.669 491 H ARG 67 H ARG 67 0.162 -6.832 5.377 492 HA ARG 67 HA ARG 67 1.033 -7.958 7.875 493 HB2 ARG 67 1HB ARG 67 1.583 -8.678 4.976 494 HB3 ARG 67 2HB ARG 67 2.232 -9.607 6.318 495 HG2 ARG 67 1HG ARG 67 -0.020 -10.149 7.079 496 HG3 ARG 67 2HG ARG 67 -0.714 -9.147 5.782 497 HD2 ARG 67 1HD ARG 67 0.223 -10.579 4.113 498 HD3 ARG 67 2HD ARG 67 1.072 -11.530 5.354 499 HE ARG 67 HE ARG 67 -1.678 -11.533 5.968 500 HH11 ARG 67 1HH1 ARG 67 0.510 -12.746 3.502 501 HH12 ARG 67 2HH1 ARG 67 -0.489 -14.129 3.117 502 HH21 ARG 67 1HH2 ARG 67 -2.967 -13.332 5.460 503 HH22 ARG 67 2HH2 ARG 67 -2.458 -14.462 4.225 504 H MET 68 H MET 68 2.850 -6.481 5.186 505 HA MET 68 HA MET 68 5.435 -6.739 6.401 506 HB2 MET 68 1HB MET 68 5.148 -6.193 4.029 507 HB3 MET 68 2HB MET 68 4.352 -4.682 4.441 508 HG2 MET 68 1HG MET 68 6.678 -4.339 3.754 509 HG3 MET 68 2HG MET 68 6.411 -3.817 5.420 510 HE1 MET 68 1HE MET 68 8.870 -7.460 4.034 511 HE2 MET 68 2HE MET 68 7.147 -7.294 3.615 512 HE3 MET 68 3HE MET 68 8.330 -6.107 3.012 513 H TRP 69 H TRP 69 2.984 -4.171 6.595 514 HA TRP 69 HA TRP 69 4.449 -2.325 8.166 515 HB2 TRP 69 1HB TRP 69 2.203 -1.864 7.202 516 HB3 TRP 69 2HB TRP 69 1.485 -3.025 8.310 517 HD1 TRP 69 HD1 TRP 69 3.136 0.462 8.286 518 HE1 TRP 69 HE1 TRP 69 2.460 1.722 10.441 519 HE3 TRP 69 HE3 TRP 69 0.705 -3.355 10.699 520 HZ2 TRP 69 HZ2 TRP 69 1.074 1.148 12.832 521 HZ3 TRP 69 HZ3 TRP 69 -0.272 -2.934 12.919 522 HH2 TRP 69 HH2 TRP 69 -0.097 -0.719 13.974 523 H MET 70 H MET 70 2.450 -5.078 9.244 524 HA MET 70 HA MET 70 2.964 -4.757 12.040 525 HB2 MET 70 1HB MET 70 2.334 -7.205 10.358 526 HB3 MET 70 2HB MET 70 2.455 -7.244 12.111 527 HG2 MET 70 1HG MET 70 0.643 -5.461 12.163 528 HG3 MET 70 2HG MET 70 0.434 -5.746 10.433 529 HE1 MET 70 1HE MET 70 -0.878 -9.380 10.243 530 HE2 MET 70 2HE MET 70 -0.621 -7.847 9.374 531 HE3 MET 70 3HE MET 70 0.775 -8.777 9.971 532 H ARG 71 H ARG 71 4.727 -6.573 9.538 533 HA ARG 71 HA ARG 71 6.736 -7.644 11.268 534 HB2 ARG 71 1HB ARG 71 6.910 -6.800 8.349 535 HB3 ARG 71 2HB ARG 71 8.119 -7.759 9.190 536 HG2 ARG 71 1HG ARG 71 5.247 -8.658 8.937 537 HG3 ARG 71 2HG ARG 71 6.490 -9.011 7.711 538 HD2 ARG 71 1HD ARG 71 7.862 -9.997 9.563 539 HD3 ARG 71 2HD ARG 71 6.416 -9.860 10.589 540 HE ARG 71 HE ARG 71 5.875 -11.202 8.098 541 HH11 ARG 71 1HH1 ARG 71 7.180 -11.628 11.332 542 HH12 ARG 71 2HH1 ARG 71 6.836 -13.342 11.381 543 HH21 ARG 71 1HH2 ARG 71 5.433 -13.429 8.174 544 HH22 ARG 71 2HH2 ARG 71 5.847 -14.362 9.594 545 H LEU 72 H LEU 72 6.491 -4.518 9.617 546 HA LEU 72 HA LEU 72 9.181 -3.692 10.306 547 HB2 LEU 72 1HB LEU 72 6.693 -2.136 9.493 548 HB3 LEU 72 2HB LEU 72 8.284 -1.400 9.716 549 HG LEU 72 HG LEU 72 7.728 -3.596 7.694 550 HD11 LEU 72 1HD1 LEU 72 7.664 -1.795 6.028 551 HD12 LEU 72 2HD1 LEU 72 6.342 -1.645 7.209 552 HD13 LEU 72 3HD1 LEU 72 7.769 -0.587 7.329 553 HD21 LEU 72 1HD2 LEU 72 9.858 -2.787 6.736 554 HD22 LEU 72 2HD2 LEU 72 9.995 -1.592 8.048 555 HD23 LEU 72 3HD2 LEU 72 10.078 -3.331 8.417 556 H GLN 73 H GLN 73 6.005 -3.228 11.806 557 HA GLN 73 HA GLN 73 6.971 -1.511 13.919 558 HB2 GLN 73 1HB GLN 73 4.535 -3.330 13.726 559 HB3 GLN 73 2HB GLN 73 4.835 -2.237 15.069 560 HG2 GLN 73 1HG GLN 73 4.482 -1.415 12.179 561 HG3 GLN 73 2HG GLN 73 3.256 -1.296 13.473 562 HE21 GLN 73 1HE2 GLN 73 5.451 1.854 12.813 563 HE22 GLN 73 2HE2 GLN 73 4.929 0.651 11.681 564 H GLU 74 H GLU 74 6.591 -5.023 13.617 565 HA GLU 74 HA GLU 74 7.349 -5.644 16.320 566 HB2 GLU 74 1HB GLU 74 6.266 -7.253 14.724 567 HB3 GLU 74 2HB GLU 74 7.752 -7.290 13.786 568 HG2 GLU 74 1HG GLU 74 8.960 -8.239 15.686 569 HG3 GLU 74 2HG GLU 74 7.506 -8.145 16.678 Start of MODEL 3 1 H1 ILE 8 1H ILE 8 1.052 0.392 -4.073 2 H2 ILE 8 2H ILE 8 0.920 -0.057 -2.509 3 H3 ILE 8 3H ILE 8 0.766 1.515 -2.923 4 HA ILE 8 HA ILE 8 3.049 0.219 -2.144 5 HB ILE 8 HB ILE 8 3.089 1.181 -5.050 6 HG12 ILE 8 1HG1 ILE 8 2.082 -1.000 -4.959 7 HG13 ILE 8 2HG1 ILE 8 3.711 -1.136 -5.602 8 HG21 ILE 8 1HG2 ILE 8 5.451 0.490 -4.989 9 HG22 ILE 8 2HG2 ILE 8 5.125 1.760 -3.786 10 HG23 ILE 8 3HG2 ILE 8 5.287 0.065 -3.269 11 HD11 ILE 8 1HD1 ILE 8 3.225 -2.946 -4.053 12 HD12 ILE 8 2HD1 ILE 8 4.524 -1.909 -3.415 13 HD13 ILE 8 3HD1 ILE 8 2.873 -1.772 -2.764 14 H GLY 9 H GLY 9 1.380 2.955 -3.522 15 HA2 GLY 9 1HA GLY 9 3.276 4.978 -3.036 16 HA3 GLY 9 2HA GLY 9 1.511 5.196 -2.967 17 H TRP 10 H TRP 10 0.987 3.404 -0.818 18 HA TRP 10 HA TRP 10 1.488 5.090 1.454 19 HB2 TRP 10 1HB TRP 10 -0.434 3.514 1.297 20 HB3 TRP 10 2HB TRP 10 0.678 2.153 1.337 21 HD1 TRP 10 HD1 TRP 10 -0.687 4.967 3.605 22 HE1 TRP 10 HE1 TRP 10 -0.345 4.285 6.075 23 HE3 TRP 10 HE3 TRP 10 2.061 0.699 2.871 24 HZ2 TRP 10 HZ2 TRP 10 0.924 2.202 7.498 25 HZ3 TRP 10 HZ3 TRP 10 2.810 -0.592 4.830 26 HH2 TRP 10 HH2 TRP 10 2.251 0.141 7.110 27 H LEU 11 H LEU 11 3.044 2.103 0.319 28 HA LEU 11 HA LEU 11 4.869 1.893 2.536 29 HB2 LEU 11 1HB LEU 11 5.037 0.923 -0.345 30 HB3 LEU 11 2HB LEU 11 6.209 0.498 0.906 31 HG LEU 11 HG LEU 11 3.252 -0.189 1.029 32 HD11 LEU 11 1HD1 LEU 11 3.974 -2.461 0.444 33 HD12 LEU 11 2HD1 LEU 11 4.339 -1.300 -0.854 34 HD13 LEU 11 3HD1 LEU 11 5.638 -1.875 0.218 35 HD21 LEU 11 1HD2 LEU 11 4.002 -1.700 2.836 36 HD22 LEU 11 2HD2 LEU 11 5.668 -1.103 2.644 37 HD23 LEU 11 3HD2 LEU 11 4.390 -0.005 3.217 38 H GLN 12 H GLN 12 5.026 3.604 -0.555 39 HA GLN 12 HA GLN 12 7.765 4.429 -0.323 40 HB2 GLN 12 1HB GLN 12 5.379 5.679 -1.743 41 HB3 GLN 12 2HB GLN 12 7.020 6.294 -1.883 42 HG2 GLN 12 1HG GLN 12 7.771 4.248 -2.909 43 HG3 GLN 12 2HG GLN 12 6.179 3.486 -2.631 44 HE21 GLN 12 1HE2 GLN 12 6.195 4.499 -6.150 45 HE22 GLN 12 2HE2 GLN 12 6.993 3.346 -5.133 46 H GLU 13 H GLU 13 4.741 6.085 0.604 47 HA GLU 13 HA GLU 13 6.033 8.384 1.734 48 HB2 GLU 13 1HB GLU 13 3.337 7.082 2.295 49 HB3 GLU 13 2HB GLU 13 3.845 8.605 3.012 50 HG2 GLU 13 1HG GLU 13 3.972 9.653 0.835 51 HG3 GLU 13 2HG GLU 13 3.641 8.119 0.034 52 H MET 14 H MET 14 4.996 5.308 3.194 53 HA MET 14 HA MET 14 5.757 5.871 5.870 54 HB2 MET 14 1HB MET 14 4.507 3.855 5.206 55 HB3 MET 14 2HB MET 14 5.905 3.255 4.325 56 HG2 MET 14 1HG MET 14 7.172 3.190 6.484 57 HG3 MET 14 2HG MET 14 5.689 3.654 7.321 58 HE1 MET 14 1HE MET 14 6.370 -0.346 5.105 59 HE2 MET 14 2HE MET 14 6.319 1.215 4.248 60 HE3 MET 14 3HE MET 14 7.628 0.877 5.407 61 H CYS 15 H CYS 15 7.720 4.411 3.265 62 HA CYS 15 HA CYS 15 10.174 4.097 4.690 63 HB2 CYS 15 1HB CYS 15 9.638 4.587 1.806 64 HB3 CYS 15 2HB CYS 15 11.235 4.317 2.489 65 HG CYS 15 HG CYS 15 10.671 2.032 3.591 66 H MET 16 H MET 16 8.962 6.850 2.728 67 HA MET 16 HA MET 16 11.252 8.516 3.007 68 HB2 MET 16 1HB MET 16 8.316 9.180 2.606 69 HB3 MET 16 2HB MET 16 9.593 10.387 2.563 70 HG2 MET 16 1HG MET 16 10.606 9.339 0.633 71 HG3 MET 16 2HG MET 16 9.492 7.973 0.732 72 HE1 MET 16 1HE MET 16 8.314 12.277 -0.488 73 HE2 MET 16 2HE MET 16 8.848 11.867 1.162 74 HE3 MET 16 3HE MET 16 9.983 11.727 -0.203 75 H GLN 17 H GLN 17 8.311 8.337 5.013 76 HA GLN 17 HA GLN 17 9.115 10.466 6.778 77 HB2 GLN 17 1HB GLN 17 7.165 8.152 7.109 78 HB3 GLN 17 2HB GLN 17 7.389 9.402 8.325 79 HG2 GLN 17 1HG GLN 17 6.629 11.109 6.787 80 HG3 GLN 17 2HG GLN 17 6.512 9.905 5.473 81 HE21 GLN 17 1HE2 GLN 17 3.094 10.352 6.696 82 HE22 GLN 17 2HE2 GLN 17 4.290 11.258 5.830 83 H ARG 18 H ARG 18 9.706 6.994 6.771 84 HA ARG 18 HA ARG 18 10.927 7.153 9.474 85 HB2 ARG 18 1HB ARG 18 10.477 4.824 7.568 86 HB3 ARG 18 2HB ARG 18 11.209 4.683 9.159 87 HG2 ARG 18 1HG ARG 18 9.111 5.477 10.190 88 HG3 ARG 18 2HG ARG 18 8.374 5.573 8.573 89 HD2 ARG 18 1HD ARG 18 8.756 3.193 8.263 90 HD3 ARG 18 2HD ARG 18 9.478 3.101 9.886 91 HE ARG 18 HE ARG 18 6.932 4.257 10.149 92 HH11 ARG 18 1HH1 ARG 18 8.363 1.194 9.193 93 HH12 ARG 18 2HH1 ARG 18 6.989 0.246 9.716 94 HH21 ARG 18 1HH2 ARG 18 5.155 3.015 10.824 95 HH22 ARG 18 2HH2 ARG 18 5.173 1.276 10.640 96 H ARG 19 H ARG 19 11.968 8.116 6.622 97 HA ARG 19 HA ARG 19 14.096 8.490 5.768 98 HB2 ARG 19 1HB ARG 19 14.940 7.651 8.570 99 HB3 ARG 19 2HB ARG 19 15.976 8.438 7.389 100 HG2 ARG 19 1HG ARG 19 14.564 10.441 7.455 101 HG3 ARG 19 2HG ARG 19 13.491 9.644 8.632 102 HD2 ARG 19 1HD ARG 19 15.454 9.389 10.127 103 HD3 ARG 19 2HD ARG 19 16.384 10.382 8.981 104 HE ARG 19 HE ARG 19 14.033 11.783 9.613 105 HH11 ARG 19 1HH1 ARG 19 16.954 10.656 11.208 106 HH12 ARG 19 2HH1 ARG 19 16.962 11.951 12.383 107 HH21 ARG 19 1HH2 ARG 19 14.054 13.459 11.144 108 HH22 ARG 19 2HH2 ARG 19 15.321 13.538 12.348 109 H TRP 20 H TRP 20 12.890 5.919 5.377 110 HA TRP 20 HA TRP 20 15.303 4.150 5.318 111 HB2 TRP 20 1HB TRP 20 12.328 3.588 5.002 112 HB3 TRP 20 2HB TRP 20 13.572 2.395 4.660 113 HD1 TRP 20 HD1 TRP 20 15.142 3.899 7.440 114 HE1 TRP 20 HE1 TRP 20 14.507 2.824 9.704 115 HE3 TRP 20 HE3 TRP 20 10.905 1.412 5.970 116 HZ2 TRP 20 HZ2 TRP 20 12.469 1.148 10.708 117 HZ3 TRP 20 HZ3 TRP 20 9.659 0.088 7.631 118 HH2 TRP 20 HH2 TRP 20 10.422 -0.043 9.966 119 HA PRO 21 HA PRO 21 15.790 4.461 0.965 120 HB2 PRO 21 1HB PRO 21 16.257 1.809 0.307 121 HB3 PRO 21 2HB PRO 21 17.482 2.782 1.132 122 HG2 PRO 21 1HG PRO 21 15.460 0.837 2.328 123 HG3 PRO 21 2HG PRO 21 17.195 0.942 2.642 124 HD2 PRO 21 1HD PRO 21 15.453 2.074 4.355 125 HD3 PRO 21 2HD PRO 21 16.993 2.926 3.936 126 HA PRO 22 HA PRO 22 12.062 3.853 -1.104 127 HB2 PRO 22 1HB PRO 22 13.721 2.554 -3.312 128 HB3 PRO 22 2HB PRO 22 12.546 3.869 -3.453 129 HG2 PRO 22 1HG PRO 22 15.134 4.476 -3.565 130 HG3 PRO 22 2HG PRO 22 14.061 5.502 -2.610 131 HD2 PRO 22 1HD PRO 22 15.969 3.328 -1.676 132 HD3 PRO 22 2HD PRO 22 15.627 4.943 -0.935 133 HA PRO 23 HA PRO 23 10.980 -0.291 -0.312 134 HB2 PRO 23 1HB PRO 23 8.359 -0.163 -1.059 135 HB3 PRO 23 2HB PRO 23 8.907 0.747 0.355 136 HG2 PRO 23 1HG PRO 23 8.492 1.727 -2.503 137 HG3 PRO 23 2HG PRO 23 7.910 2.456 -1.003 138 HD2 PRO 23 1HD PRO 23 10.190 3.332 -2.219 139 HD3 PRO 23 2HD PRO 23 10.025 3.313 -0.418 140 H SER 24 H SER 24 10.375 -2.218 -1.285 141 HA SER 24 HA SER 24 10.433 -2.199 -4.321 142 HB2 SER 24 1HB SER 24 11.763 -4.143 -2.512 143 HB3 SER 24 2HB SER 24 11.610 -4.251 -4.259 144 HG SER 24 HG SER 24 13.555 -3.333 -3.602 145 H TYR 25 H TYR 25 9.331 -3.969 -5.300 146 HA TYR 25 HA TYR 25 7.684 -5.767 -3.669 147 HB2 TYR 25 1HB TYR 25 5.533 -5.034 -4.531 148 HB3 TYR 25 2HB TYR 25 6.300 -3.706 -3.670 149 HD1 TYR 25 HD1 TYR 25 5.115 -4.931 -6.891 150 HD2 TYR 25 HD2 TYR 25 7.253 -1.790 -4.897 151 HE1 TYR 25 HE1 TYR 25 4.841 -3.484 -8.876 152 HE2 TYR 25 HE2 TYR 25 6.979 -0.343 -6.882 153 HH TYR 25 HH TYR 25 5.257 -1.496 -9.775 154 H GLU 26 H GLU 26 6.410 -7.259 -4.980 155 HA GLU 26 HA GLU 26 7.268 -7.540 -7.795 156 HB2 GLU 26 1HB GLU 26 9.115 -8.605 -6.496 157 HB3 GLU 26 2HB GLU 26 7.943 -9.637 -5.687 158 HG2 GLU 26 1HG GLU 26 7.369 -10.710 -7.790 159 HG3 GLU 26 2HG GLU 26 8.430 -9.614 -8.672 160 H THR 27 H THR 27 5.693 -8.247 -8.988 161 HA THR 27 HA THR 27 3.319 -9.459 -7.692 162 HB THR 27 HB THR 27 3.847 -8.685 -10.596 163 HG1 THR 27 HG1 THR 27 2.406 -6.958 -10.030 164 HG21 THR 27 1HG2 THR 27 1.416 -8.975 -10.867 165 HG22 THR 27 2HG2 THR 27 2.186 -10.500 -10.371 166 HG23 THR 27 3HG2 THR 27 1.289 -9.529 -9.181 167 H GLU 28 H GLU 28 2.942 -11.509 -7.515 168 HA GLU 28 HA GLU 28 4.779 -13.405 -8.875 169 HB2 GLU 28 1HB GLU 28 2.669 -13.808 -6.711 170 HB3 GLU 28 2HB GLU 28 3.703 -15.077 -7.352 171 HG2 GLU 28 1HG GLU 28 5.676 -13.612 -6.598 172 HG3 GLU 28 2HG GLU 28 4.482 -12.693 -5.684 173 H THR 29 H THR 29 3.772 -15.540 -9.527 174 HA THR 29 HA THR 29 2.155 -14.950 -11.836 175 HB THR 29 HB THR 29 2.781 -17.647 -10.554 176 HG1 THR 29 HG1 THR 29 4.453 -17.646 -12.161 177 HG21 THR 29 1HG2 THR 29 2.322 -18.538 -12.805 178 HG22 THR 29 2HG2 THR 29 0.888 -17.719 -12.140 179 HG23 THR 29 3HG2 THR 29 1.889 -16.906 -13.366 180 H GLU 30 H GLU 30 0.077 -14.974 -12.227 181 HA GLU 30 HA GLU 30 -1.876 -15.117 -10.143 182 HB2 GLU 30 1HB GLU 30 -2.243 -13.993 -12.340 183 HB3 GLU 30 2HB GLU 30 -2.217 -15.557 -13.141 184 HG2 GLU 30 1HG GLU 30 -4.211 -16.245 -11.873 185 HG3 GLU 30 2HG GLU 30 -4.237 -14.678 -11.067 186 H VAL 31 H VAL 31 -3.107 -16.650 -9.300 187 HA VAL 31 HA VAL 31 -2.811 -19.456 -10.318 188 HB VAL 31 HB VAL 31 -2.493 -20.162 -7.903 189 HG11 VAL 31 1HG1 VAL 31 -0.089 -19.710 -7.839 190 HG12 VAL 31 2HG1 VAL 31 -0.634 -20.187 -9.465 191 HG13 VAL 31 3HG1 VAL 31 -0.288 -18.478 -9.107 192 HG21 VAL 31 1HG2 VAL 31 -1.616 -18.468 -6.328 193 HG22 VAL 31 2HG2 VAL 31 -1.868 -17.201 -7.553 194 HG23 VAL 31 3HG2 VAL 31 -3.264 -18.060 -6.860 195 H GLY 32 H GLY 32 -4.984 -18.346 -10.995 196 HA2 GLY 32 1HA GLY 32 -6.951 -19.597 -9.170 197 HA3 GLY 32 2HA GLY 32 -7.176 -17.874 -9.553 198 H LEU 33 H LEU 33 -9.263 -18.785 -10.386 199 HA LEU 33 HA LEU 33 -8.925 -19.924 -13.140 200 HB2 LEU 33 1HB LEU 33 -11.322 -20.071 -11.266 201 HB3 LEU 33 2HB LEU 33 -11.214 -20.799 -12.872 202 HG LEU 33 HG LEU 33 -9.527 -21.592 -10.471 203 HD11 LEU 33 1HD1 LEU 33 -10.910 -23.620 -10.480 204 HD12 LEU 33 2HD1 LEU 33 -11.885 -22.161 -10.189 205 HD13 LEU 33 3HD1 LEU 33 -11.902 -22.938 -11.790 206 HD21 LEU 33 1HD2 LEU 33 -8.860 -23.478 -11.923 207 HD22 LEU 33 2HD2 LEU 33 -9.824 -22.794 -13.254 208 HD23 LEU 33 3HD2 LEU 33 -8.398 -21.918 -12.647 209 HA PRO 34 HA PRO 34 -10.607 -16.498 -15.172 210 HB2 PRO 34 1HB PRO 34 -12.797 -18.389 -16.157 211 HB3 PRO 34 2HB PRO 34 -11.792 -17.287 -17.108 212 HG2 PRO 34 1HG PRO 34 -11.211 -19.879 -17.173 213 HG3 PRO 34 2HG PRO 34 -9.889 -18.718 -17.017 214 HD2 PRO 34 1HD PRO 34 -11.201 -20.431 -14.878 215 HD3 PRO 34 2HD PRO 34 -9.453 -20.019 -15.100 216 H HIS 35 H HIS 35 -12.971 -18.587 -13.555 217 HA HIS 35 HA HIS 35 -14.776 -16.252 -13.227 218 HB2 HIS 35 1HB HIS 35 -16.340 -17.912 -12.254 219 HB3 HIS 35 2HB HIS 35 -15.819 -18.380 -13.866 220 HD2 HIS 35 HD2 HIS 35 -14.634 -20.862 -14.029 221 HE1 HIS 35 HE1 HIS 35 -14.368 -21.583 -9.837 222 H GLU 36 H GLU 36 -12.191 -17.652 -11.614 223 HA GLU 36 HA GLU 36 -12.814 -16.085 -9.187 224 HB2 GLU 36 1HB GLU 36 -13.800 -18.413 -8.841 225 HB3 GLU 36 2HB GLU 36 -12.170 -19.053 -8.983 226 HG2 GLU 36 1HG GLU 36 -11.475 -17.702 -7.039 227 HG3 GLU 36 2HG GLU 36 -13.118 -17.082 -6.892 228 H ARG 37 H ARG 37 -11.067 -14.943 -10.355 229 HA ARG 37 HA ARG 37 -8.473 -16.256 -10.587 230 HB2 ARG 37 1HB ARG 37 -9.291 -13.330 -10.772 231 HB3 ARG 37 2HB ARG 37 -7.684 -13.941 -11.135 232 HG2 ARG 37 1HG ARG 37 -8.603 -15.286 -12.978 233 HG3 ARG 37 2HG ARG 37 -10.229 -14.661 -12.612 234 HD2 ARG 37 1HD ARG 37 -9.400 -12.385 -13.008 235 HD3 ARG 37 2HD ARG 37 -7.826 -13.069 -13.472 236 HE ARG 37 HE ARG 37 -10.295 -13.080 -15.017 237 HH11 ARG 37 1HH1 ARG 37 -7.103 -14.481 -14.589 238 HH12 ARG 37 2HH1 ARG 37 -6.994 -15.050 -16.240 239 HH21 ARG 37 1HH2 ARG 37 -10.143 -13.822 -17.157 240 HH22 ARG 37 2HH2 ARG 37 -8.714 -14.677 -17.694 241 H LEU 38 H LEU 38 -6.650 -16.032 -9.417 242 HA LEU 38 HA LEU 38 -6.872 -14.504 -6.854 243 HB2 LEU 38 1HB LEU 38 -5.720 -17.299 -7.230 244 HB3 LEU 38 2HB LEU 38 -5.623 -16.351 -5.744 245 HG LEU 38 HG LEU 38 -8.219 -17.306 -7.000 246 HD11 LEU 38 1HD1 LEU 38 -8.228 -18.970 -5.196 247 HD12 LEU 38 2HD1 LEU 38 -6.836 -19.186 -6.283 248 HD13 LEU 38 3HD1 LEU 38 -6.612 -18.428 -4.688 249 HD21 LEU 38 1HD2 LEU 38 -9.153 -16.670 -4.802 250 HD22 LEU 38 2HD2 LEU 38 -7.548 -16.095 -4.287 251 HD23 LEU 38 3HD2 LEU 38 -8.407 -15.270 -5.610 252 H PHE 39 H PHE 39 -5.176 -13.354 -6.245 253 HA PHE 39 HA PHE 39 -2.725 -13.547 -7.966 254 HB2 PHE 39 1HB PHE 39 -4.149 -11.015 -7.039 255 HB3 PHE 39 2HB PHE 39 -2.609 -11.061 -7.882 256 HD1 PHE 39 HD1 PHE 39 -6.233 -11.521 -8.198 257 HD2 PHE 39 HD2 PHE 39 -2.485 -11.552 -10.248 258 HE1 PHE 39 HE1 PHE 39 -7.420 -11.463 -10.366 259 HE2 PHE 39 HE2 PHE 39 -3.668 -11.491 -12.418 260 HZ PHE 39 HZ PHE 39 -6.137 -11.448 -12.476 261 H THR 40 H THR 40 -0.780 -12.898 -7.070 262 HA THR 40 HA THR 40 -0.799 -12.583 -4.090 263 HB THR 40 HB THR 40 1.103 -14.351 -5.692 264 HG1 THR 40 HG1 THR 40 0.031 -16.026 -4.499 265 HG21 THR 40 1HG2 THR 40 1.945 -15.009 -3.472 266 HG22 THR 40 2HG2 THR 40 2.151 -13.261 -3.738 267 HG23 THR 40 3HG2 THR 40 0.832 -13.854 -2.703 268 H ILE 41 H ILE 41 0.363 -11.010 -3.309 269 HA ILE 41 HA ILE 41 2.424 -9.744 -5.094 270 HB ILE 41 HB ILE 41 0.366 -8.356 -3.303 271 HG12 ILE 41 1HG1 ILE 41 -0.514 -9.166 -5.474 272 HG13 ILE 41 2HG1 ILE 41 -0.558 -7.419 -5.295 273 HG21 ILE 41 1HG2 ILE 41 1.397 -6.267 -4.099 274 HG22 ILE 41 2HG2 ILE 41 2.574 -7.261 -3.211 275 HG23 ILE 41 3HG2 ILE 41 2.620 -7.204 -4.989 276 HD11 ILE 41 1HD1 ILE 41 0.149 -8.053 -7.533 277 HD12 ILE 41 2HD1 ILE 41 1.463 -7.212 -6.676 278 HD13 ILE 41 3HD1 ILE 41 1.508 -8.982 -6.859 279 H ALA 42 H ALA 42 4.328 -9.454 -4.326 280 HA ALA 42 HA ALA 42 4.669 -9.745 -1.372 281 HB1 ALA 42 1HB ALA 42 7.004 -10.363 -1.881 282 HB2 ALA 42 2HB ALA 42 5.850 -11.449 -2.691 283 HB3 ALA 42 3HB ALA 42 6.672 -10.172 -3.618 284 H CYS 43 H CYS 43 5.687 -8.247 -0.181 285 HA CYS 43 HA CYS 43 6.709 -5.761 -1.593 286 HB2 CYS 43 1HB CYS 43 5.014 -5.849 0.855 287 HB3 CYS 43 2HB CYS 43 5.836 -4.442 0.195 288 HG CYS 43 HG CYS 43 3.270 -4.379 -0.244 289 H SER 44 H SER 44 8.528 -4.859 -0.734 290 HA SER 44 HA SER 44 9.875 -6.317 1.563 291 HB2 SER 44 1HB SER 44 10.747 -7.155 -0.457 292 HB3 SER 44 2HB SER 44 11.096 -5.531 -1.028 293 HG SER 44 HG SER 44 12.867 -6.520 -0.059 294 H ILE 45 H ILE 45 10.463 -4.967 3.134 295 HA ILE 45 HA ILE 45 11.060 -2.103 2.455 296 HB ILE 45 HB ILE 45 9.422 -3.126 4.830 297 HG12 ILE 45 1HG1 ILE 45 8.179 -3.128 2.693 298 HG13 ILE 45 2HG1 ILE 45 7.536 -2.000 3.876 299 HG21 ILE 45 1HG2 ILE 45 9.168 -0.741 5.384 300 HG22 ILE 45 2HG2 ILE 45 10.880 -1.224 5.407 301 HG23 ILE 45 3HG2 ILE 45 10.233 -0.308 4.026 302 HD11 ILE 45 1HD1 ILE 45 7.551 -1.023 1.650 303 HD12 ILE 45 2HD1 ILE 45 8.657 -0.138 2.728 304 HD13 ILE 45 3HD1 ILE 45 9.307 -1.282 1.529 305 H LEU 46 H LEU 46 12.915 -1.427 3.044 306 HA LEU 46 HA LEU 46 14.953 -1.310 4.148 307 HB2 LEU 46 1HB LEU 46 13.409 -0.765 6.055 308 HB3 LEU 46 2HB LEU 46 13.356 -2.483 6.463 309 HG LEU 46 HG LEU 46 15.842 -2.393 6.861 310 HD11 LEU 46 1HD1 LEU 46 16.870 -0.180 7.126 311 HD12 LEU 46 2HD1 LEU 46 16.331 -0.459 5.454 312 HD13 LEU 46 3HD1 LEU 46 15.377 0.585 6.534 313 HD21 LEU 46 1HD2 LEU 46 15.612 -1.227 9.029 314 HD22 LEU 46 2HD2 LEU 46 14.099 -0.476 8.465 315 HD23 LEU 46 3HD2 LEU 46 14.186 -2.239 8.692 316 H ASN 47 H ASN 47 14.217 -3.916 6.296 317 HA ASN 47 HA ASN 47 16.051 -5.683 4.704 318 HB2 ASN 47 1HB ASN 47 15.989 -5.216 7.698 319 HB3 ASN 47 2HB ASN 47 16.876 -6.518 6.916 320 HD21 ASN 47 1HD2 ASN 47 18.937 -3.378 7.517 321 HD22 ASN 47 2HD2 ASN 47 17.777 -4.194 8.511 322 H TYR 48 H TYR 48 13.044 -5.465 4.979 323 HA TYR 48 HA TYR 48 12.577 -8.288 5.869 324 HB2 TYR 48 1HB TYR 48 10.776 -5.915 6.489 325 HB3 TYR 48 2HB TYR 48 10.473 -7.593 6.917 326 HD1 TYR 48 HD1 TYR 48 12.436 -4.587 7.672 327 HD2 TYR 48 HD2 TYR 48 11.681 -8.677 8.724 328 HE1 TYR 48 HE1 TYR 48 13.624 -4.255 9.813 329 HE2 TYR 48 HE2 TYR 48 12.869 -8.346 10.866 330 HH TYR 48 HH TYR 48 14.289 -5.196 11.713 331 H ARG 49 H ARG 49 10.540 -9.193 5.098 332 HA ARG 49 HA ARG 49 9.300 -7.924 2.758 333 HB2 ARG 49 1HB ARG 49 11.414 -8.990 1.855 334 HB3 ARG 49 2HB ARG 49 10.811 -10.542 2.415 335 HG2 ARG 49 1HG ARG 49 8.927 -10.421 0.899 336 HG3 ARG 49 2HG ARG 49 9.397 -8.778 0.401 337 HD2 ARG 49 1HD ARG 49 11.411 -9.584 -0.571 338 HD3 ARG 49 2HD ARG 49 11.127 -11.216 0.078 339 HE ARG 49 HE ARG 49 8.911 -10.825 -1.408 340 HH11 ARG 49 1HH1 ARG 49 12.318 -10.337 -2.112 341 HH12 ARG 49 2HH1 ARG 49 12.142 -10.675 -3.819 342 HH21 ARG 49 1HH2 ARG 49 8.695 -11.261 -3.626 343 HH22 ARG 49 2HH2 ARG 49 10.092 -11.198 -4.677 344 H GLU 50 H GLU 50 7.255 -8.403 2.679 345 HA GLU 50 HA GLU 50 6.385 -11.139 3.473 346 HB2 GLU 50 1HB GLU 50 5.288 -8.532 4.597 347 HB3 GLU 50 2HB GLU 50 4.390 -10.043 4.641 348 HG2 GLU 50 1HG GLU 50 7.125 -9.665 5.877 349 HG3 GLU 50 2HG GLU 50 5.604 -9.461 6.744 350 H MET 51 H MET 51 4.223 -11.671 2.772 351 HA MET 51 HA MET 51 3.378 -10.122 0.360 352 HB2 MET 51 1HB MET 51 3.358 -12.120 -1.005 353 HB3 MET 51 2HB MET 51 4.980 -11.883 -0.372 354 HG2 MET 51 1HG MET 51 4.494 -13.583 1.393 355 HG3 MET 51 2HG MET 51 2.924 -13.867 0.637 356 HE1 MET 51 1HE MET 51 7.031 -14.892 -1.217 357 HE2 MET 51 2HE MET 51 6.540 -13.213 -0.884 358 HE3 MET 51 3HE MET 51 6.771 -14.357 0.461 359 H GLY 52 H GLY 52 1.305 -10.708 -0.476 360 HA2 GLY 52 1HA GLY 52 -0.442 -12.122 1.477 361 HA3 GLY 52 2HA GLY 52 -0.838 -10.452 1.009 362 H LYS 53 H LYS 53 -2.543 -12.681 0.605 363 HA LYS 53 HA LYS 53 -2.567 -12.805 -2.393 364 HB2 LYS 53 1HB LYS 53 -3.375 -15.004 -0.448 365 HB3 LYS 53 2HB LYS 53 -3.554 -15.067 -2.195 366 HG2 LYS 53 1HG LYS 53 -1.088 -14.918 -2.439 367 HG3 LYS 53 2HG LYS 53 -0.935 -14.919 -0.677 368 HD2 LYS 53 1HD LYS 53 -2.079 -17.125 -0.593 369 HD3 LYS 53 2HD LYS 53 -2.180 -17.125 -2.360 370 HE2 LYS 53 1HE LYS 53 0.281 -17.054 -2.511 371 HE3 LYS 53 2HE LYS 53 0.398 -17.019 -0.750 372 HZ1 LYS 53 1HZ LYS 53 0.715 -19.221 -1.612 373 HZ2 LYS 53 2HZ LYS 53 -0.656 -19.174 -0.695 374 HZ3 LYS 53 3HZ LYS 53 -0.764 -19.207 -2.341 375 H GLY 54 H GLY 54 -4.495 -12.674 -3.430 376 HA2 GLY 54 1HA GLY 54 -6.976 -12.388 -1.887 377 HA3 GLY 54 2HA GLY 54 -6.372 -10.882 -2.617 378 H LYS 55 H LYS 55 -8.688 -11.350 -3.556 379 HA LYS 55 HA LYS 55 -8.615 -13.169 -5.891 380 HB2 LYS 55 1HB LYS 55 -10.763 -11.299 -4.818 381 HB3 LYS 55 2HB LYS 55 -10.956 -12.329 -6.230 382 HG2 LYS 55 1HG LYS 55 -10.639 -14.330 -4.828 383 HG3 LYS 55 2HG LYS 55 -10.425 -13.299 -3.406 384 HD2 LYS 55 1HD LYS 55 -12.703 -12.385 -3.724 385 HD3 LYS 55 2HD LYS 55 -12.917 -13.416 -5.146 386 HE2 LYS 55 1HE LYS 55 -12.618 -15.426 -3.735 387 HE3 LYS 55 2HE LYS 55 -12.403 -14.399 -2.315 388 HZ1 LYS 55 1HZ LYS 55 -14.639 -15.214 -2.485 389 HZ2 LYS 55 2HZ LYS 55 -14.631 -13.572 -2.648 390 HZ3 LYS 55 3HZ LYS 55 -14.832 -14.532 -3.974 391 H SER 56 H SER 56 -7.610 -10.046 -5.218 392 HA SER 56 HA SER 56 -7.328 -9.529 -8.179 393 HB2 SER 56 1HB SER 56 -8.014 -7.362 -8.085 394 HB3 SER 56 2HB SER 56 -9.301 -8.353 -7.415 395 HG SER 56 HG SER 56 -9.070 -6.716 -6.058 396 H LYS 57 H LYS 57 -5.644 -7.998 -8.640 397 HA LYS 57 HA LYS 57 -3.274 -8.259 -7.048 398 HB2 LYS 57 1HB LYS 57 -4.045 -6.291 -9.235 399 HB3 LYS 57 2HB LYS 57 -2.448 -6.345 -8.501 400 HG2 LYS 57 1HG LYS 57 -2.164 -8.671 -9.279 401 HG3 LYS 57 2HG LYS 57 -3.770 -8.613 -10.020 402 HD2 LYS 57 1HD LYS 57 -3.030 -6.721 -11.449 403 HD3 LYS 57 2HD LYS 57 -1.418 -6.817 -10.724 404 HE2 LYS 57 1HE LYS 57 -1.157 -9.115 -11.569 405 HE3 LYS 57 2HE LYS 57 -2.783 -9.062 -12.256 406 HZ1 LYS 57 1HZ LYS 57 -1.115 -8.602 -13.899 407 HZ2 LYS 57 2HZ LYS 57 -2.061 -7.269 -13.678 408 HZ3 LYS 57 3HZ LYS 57 -0.542 -7.319 -13.037 409 H LYS 58 H LYS 58 -5.784 -5.773 -7.164 410 HA LYS 58 HA LYS 58 -4.431 -3.878 -5.476 411 HB2 LYS 58 1HB LYS 58 -7.382 -4.380 -6.016 412 HB3 LYS 58 2HB LYS 58 -6.788 -3.044 -5.040 413 HG2 LYS 58 1HG LYS 58 -5.539 -2.172 -6.981 414 HG3 LYS 58 2HG LYS 58 -6.135 -3.518 -7.963 415 HD2 LYS 58 1HD LYS 58 -8.468 -2.774 -7.551 416 HD3 LYS 58 2HD LYS 58 -7.855 -1.413 -6.600 417 HE2 LYS 58 1HE LYS 58 -6.658 -0.555 -8.579 418 HE3 LYS 58 2HE LYS 58 -7.234 -1.925 -9.533 419 HZ1 LYS 58 1HZ LYS 58 -8.573 0.018 -9.880 420 HZ2 LYS 58 2HZ LYS 58 -9.479 -1.161 -9.166 421 HZ3 LYS 58 3HZ LYS 58 -8.941 0.119 -8.276 422 H ILE 59 H ILE 59 -6.765 -6.469 -4.726 423 HA ILE 59 HA ILE 59 -6.753 -6.038 -1.876 424 HB ILE 59 HB ILE 59 -7.282 -8.531 -3.566 425 HG12 ILE 59 1HG1 ILE 59 -9.245 -6.758 -2.103 426 HG13 ILE 59 2HG1 ILE 59 -8.825 -6.548 -3.796 427 HG21 ILE 59 1HG2 ILE 59 -8.281 -9.492 -1.532 428 HG22 ILE 59 2HG2 ILE 59 -6.548 -9.163 -1.299 429 HG23 ILE 59 3HG2 ILE 59 -7.763 -8.068 -0.600 430 HD11 ILE 59 1HD1 ILE 59 -10.892 -7.805 -3.554 431 HD12 ILE 59 2HD1 ILE 59 -9.626 -8.818 -4.289 432 HD13 ILE 59 3HD1 ILE 59 -10.053 -9.030 -2.575 433 H ALA 60 H ALA 60 -4.764 -8.151 -3.923 434 HA ALA 60 HA ALA 60 -3.332 -9.318 -1.744 435 HB1 ALA 60 1HB ALA 60 -1.673 -9.957 -3.455 436 HB2 ALA 60 2HB ALA 60 -3.335 -10.283 -4.004 437 HB3 ALA 60 3HB ALA 60 -2.457 -8.863 -4.619 438 H LYS 61 H LYS 61 -2.725 -6.416 -3.696 439 HA LYS 61 HA LYS 61 -0.194 -5.741 -2.540 440 HB2 LYS 61 1HB LYS 61 -2.399 -4.086 -3.807 441 HB3 LYS 61 2HB LYS 61 -0.922 -3.357 -3.192 442 HG2 LYS 61 1HG LYS 61 0.421 -4.673 -4.753 443 HG3 LYS 61 2HG LYS 61 -1.029 -5.506 -5.329 444 HD2 LYS 61 1HD LYS 61 -1.963 -3.335 -6.089 445 HD3 LYS 61 2HD LYS 61 -0.493 -2.520 -5.538 446 HE2 LYS 61 1HE LYS 61 0.851 -3.877 -7.109 447 HE3 LYS 61 2HE LYS 61 -0.613 -4.697 -7.658 448 HZ1 LYS 61 1HZ LYS 61 0.007 -2.922 -9.126 449 HZ2 LYS 61 2HZ LYS 61 -1.444 -2.579 -8.421 450 HZ3 LYS 61 3HZ LYS 61 -0.076 -1.813 -7.909 451 H ARG 62 H ARG 62 -3.509 -4.860 -1.579 452 HA ARG 62 HA ARG 62 -2.724 -3.178 0.610 453 HB2 ARG 62 1HB ARG 62 -5.243 -4.791 0.070 454 HB3 ARG 62 2HB ARG 62 -5.065 -3.727 1.457 455 HG2 ARG 62 1HG ARG 62 -4.837 -1.794 0.013 456 HG3 ARG 62 2HG ARG 62 -4.859 -2.836 -1.430 457 HD2 ARG 62 1HD ARG 62 -7.106 -3.573 -0.849 458 HD3 ARG 62 2HD ARG 62 -7.082 -2.500 0.570 459 HE ARG 62 HE ARG 62 -6.473 -0.935 -1.674 460 HH11 ARG 62 1HH1 ARG 62 -9.160 -2.827 -0.432 461 HH12 ARG 62 2HH1 ARG 62 -10.377 -1.840 -1.210 462 HH21 ARG 62 1HH2 ARG 62 -8.062 0.338 -2.679 463 HH22 ARG 62 2HH2 ARG 62 -9.757 -0.049 -2.482 464 H LEU 63 H LEU 63 -3.505 -6.647 0.460 465 HA LEU 63 HA LEU 63 -3.187 -7.033 3.316 466 HB2 LEU 63 1HB LEU 63 -3.157 -8.956 0.956 467 HB3 LEU 63 2HB LEU 63 -3.074 -9.473 2.643 468 HG LEU 63 HG LEU 63 -5.395 -7.931 1.432 469 HD11 LEU 63 1HD1 LEU 63 -6.574 -10.083 1.499 470 HD12 LEU 63 2HD1 LEU 63 -5.163 -10.139 0.416 471 HD13 LEU 63 3HD1 LEU 63 -5.078 -10.886 2.029 472 HD21 LEU 63 1HD2 LEU 63 -6.527 -8.600 3.524 473 HD22 LEU 63 2HD2 LEU 63 -5.030 -9.383 4.084 474 HD23 LEU 63 3HD2 LEU 63 -5.082 -7.618 3.864 475 H ALA 64 H ALA 64 -1.027 -7.265 0.538 476 HA ALA 64 HA ALA 64 1.187 -8.410 1.943 477 HB1 ALA 64 1HB ALA 64 2.550 -7.489 0.104 478 HB2 ALA 64 2HB ALA 64 1.087 -8.295 -0.509 479 HB3 ALA 64 3HB ALA 64 1.160 -6.520 -0.437 480 H ALA 65 H ALA 65 0.271 -5.015 1.340 481 HA ALA 65 HA ALA 65 2.479 -3.885 2.768 482 HB1 ALA 65 1HB ALA 65 1.110 -1.833 2.825 483 HB2 ALA 65 2HB ALA 65 1.100 -2.580 1.210 484 HB3 ALA 65 3HB ALA 65 -0.305 -2.766 2.285 485 H HIS 66 H HIS 66 -0.777 -4.865 3.791 486 HA HIS 66 HA HIS 66 -0.622 -3.966 6.488 487 HB2 HIS 66 1HB HIS 66 -2.719 -4.801 5.530 488 HB3 HIS 66 2HB HIS 66 -2.016 -6.394 5.284 489 HD2 HIS 66 HD2 HIS 66 -2.427 -8.167 7.481 490 HE1 HIS 66 HE1 HIS 66 -3.558 -5.131 10.230 491 H ARG 67 H ARG 67 0.140 -7.218 5.203 492 HA ARG 67 HA ARG 67 1.195 -8.198 7.684 493 HB2 ARG 67 1HB ARG 67 1.655 -9.016 4.794 494 HB3 ARG 67 2HB ARG 67 2.364 -9.875 6.152 495 HG2 ARG 67 1HG ARG 67 0.173 -10.477 6.989 496 HG3 ARG 67 2HG ARG 67 -0.610 -9.495 5.727 497 HD2 ARG 67 1HD ARG 67 0.241 -10.913 4.015 498 HD3 ARG 67 2HD ARG 67 1.215 -11.824 5.192 499 HE ARG 67 HE ARG 67 -1.457 -11.951 6.033 500 HH11 ARG 67 1HH1 ARG 67 0.506 -13.013 3.320 501 HH12 ARG 67 2HH1 ARG 67 -0.484 -14.417 2.991 502 HH21 ARG 67 1HH2 ARG 67 -2.735 -13.777 5.596 503 HH22 ARG 67 2HH2 ARG 67 -2.319 -14.850 4.279 504 H MET 68 H MET 68 2.698 -6.487 4.981 505 HA MET 68 HA MET 68 5.411 -6.705 5.839 506 HB2 MET 68 1HB MET 68 4.612 -5.780 3.639 507 HB3 MET 68 2HB MET 68 4.077 -4.334 4.483 508 HG2 MET 68 1HG MET 68 6.171 -3.799 3.549 509 HG3 MET 68 2HG MET 68 6.477 -4.043 5.270 510 HE1 MET 68 1HE MET 68 8.909 -6.854 5.494 511 HE2 MET 68 2HE MET 68 8.526 -5.188 5.994 512 HE3 MET 68 3HE MET 68 7.327 -6.485 6.224 513 H TRP 69 H TRP 69 2.972 -4.213 6.615 514 HA TRP 69 HA TRP 69 4.606 -2.695 8.382 515 HB2 TRP 69 1HB TRP 69 2.396 -1.929 7.560 516 HB3 TRP 69 2HB TRP 69 1.602 -3.205 8.471 517 HD1 TRP 69 HD1 TRP 69 3.504 0.111 9.005 518 HE1 TRP 69 HE1 TRP 69 2.918 1.041 11.346 519 HE3 TRP 69 HE3 TRP 69 0.789 -3.864 10.775 520 HZ2 TRP 69 HZ2 TRP 69 1.486 0.182 13.622 521 HZ3 TRP 69 HZ3 TRP 69 -0.161 -3.747 13.044 522 HH2 TRP 69 HH2 TRP 69 0.176 -1.757 14.450 523 H MET 70 H MET 70 2.525 -5.508 9.031 524 HA MET 70 HA MET 70 2.919 -5.585 11.856 525 HB2 MET 70 1HB MET 70 2.409 -7.801 9.841 526 HB3 MET 70 2HB MET 70 2.402 -8.044 11.582 527 HG2 MET 70 1HG MET 70 0.515 -6.535 11.835 528 HG3 MET 70 2HG MET 70 0.568 -6.123 10.120 529 HE1 MET 70 1HE MET 70 -0.707 -10.220 11.842 530 HE2 MET 70 2HE MET 70 0.960 -9.609 11.985 531 HE3 MET 70 3HE MET 70 -0.372 -8.769 12.817 532 H ARG 71 H ARG 71 4.737 -7.234 9.260 533 HA ARG 71 HA ARG 71 6.665 -8.471 10.951 534 HB2 ARG 71 1HB ARG 71 6.483 -9.060 8.591 535 HB3 ARG 71 2HB ARG 71 6.884 -7.420 8.104 536 HG2 ARG 71 1HG ARG 71 8.787 -8.850 7.772 537 HG3 ARG 71 2HG ARG 71 9.147 -7.709 9.091 538 HD2 ARG 71 1HD ARG 71 9.926 -9.882 9.685 539 HD3 ARG 71 2HD ARG 71 8.531 -9.463 10.706 540 HE ARG 71 HE ARG 71 7.749 -10.933 8.363 541 HH11 ARG 71 1HH1 ARG 71 9.122 -11.262 11.580 542 HH12 ARG 71 2HH1 ARG 71 8.573 -12.910 11.782 543 HH21 ARG 71 1HH2 ARG 71 7.041 -13.074 8.638 544 HH22 ARG 71 2HH2 ARG 71 7.395 -13.937 10.118 545 H LEU 72 H LEU 72 6.624 -5.231 9.494 546 HA LEU 72 HA LEU 72 9.268 -4.504 10.341 547 HB2 LEU 72 1HB LEU 72 6.788 -2.839 9.751 548 HB3 LEU 72 2HB LEU 72 8.382 -2.146 10.066 549 HG LEU 72 HG LEU 72 7.794 -4.043 7.768 550 HD11 LEU 72 1HD1 LEU 72 7.780 -2.030 6.364 551 HD12 LEU 72 2HD1 LEU 72 6.459 -2.009 7.556 552 HD13 LEU 72 3HD1 LEU 72 7.911 -1.014 7.818 553 HD21 LEU 72 1HD2 LEU 72 9.947 -3.165 6.928 554 HD22 LEU 72 2HD2 LEU 72 10.110 -2.164 8.391 555 HD23 LEU 72 3HD2 LEU 72 10.148 -3.938 8.519 556 H GLN 73 H GLN 73 6.105 -4.202 11.912 557 HA GLN 73 HA GLN 73 7.123 -2.804 14.231 558 HB2 GLN 73 1HB GLN 73 4.630 -4.500 13.796 559 HB3 GLN 73 2HB GLN 73 4.964 -3.621 15.281 560 HG2 GLN 73 1HG GLN 73 4.636 -2.384 12.539 561 HG3 GLN 73 2HG GLN 73 3.418 -2.409 13.845 562 HE21 GLN 73 1HE2 GLN 73 5.739 0.719 13.621 563 HE22 GLN 73 2HE2 GLN 73 5.186 -0.298 12.332 564 H GLU 74 H GLU 74 6.667 -6.225 13.437 565 HA GLU 74 HA GLU 74 7.343 -7.258 16.025 566 HB2 GLU 74 1HB GLU 74 7.578 -8.396 13.215 567 HB3 GLU 74 2HB GLU 74 8.039 -9.312 14.643 568 HG2 GLU 74 1HG GLU 74 5.756 -9.138 15.515 569 HG3 GLU 74 2HG GLU 74 5.285 -8.174 14.116 Start of MODEL 4 1 H1 ILE 8 1H ILE 8 0.848 -1.003 -2.420 2 H2 ILE 8 2H ILE 8 0.831 -1.945 -1.086 3 H3 ILE 8 3H ILE 8 0.305 -0.401 -1.002 4 HA ILE 8 HA ILE 8 2.834 -1.323 -0.498 5 HB ILE 8 HB ILE 8 3.048 -1.128 -3.057 6 HG12 ILE 8 1HG1 ILE 8 5.155 0.211 -2.924 7 HG13 ILE 8 2HG1 ILE 8 4.739 0.635 -1.271 8 HG21 ILE 8 1HG2 ILE 8 3.189 1.156 -3.966 9 HG22 ILE 8 2HG2 ILE 8 1.560 0.818 -3.336 10 HG23 ILE 8 3HG2 ILE 8 2.688 1.818 -2.392 11 HD11 ILE 8 1HD1 ILE 8 6.319 -1.212 -1.332 12 HD12 ILE 8 2HD1 ILE 8 4.766 -1.741 -0.642 13 HD13 ILE 8 3HD1 ILE 8 5.189 -2.170 -2.317 14 H GLY 9 H GLY 9 0.432 1.111 -0.877 15 HA2 GLY 9 1HA GLY 9 1.770 3.386 0.077 16 HA3 GLY 9 2HA GLY 9 0.046 3.037 0.346 17 H TRP 10 H TRP 10 0.354 0.666 1.878 18 HA TRP 10 HA TRP 10 0.614 1.669 4.512 19 HB2 TRP 10 1HB TRP 10 0.724 -1.096 3.295 20 HB3 TRP 10 2HB TRP 10 1.095 -0.882 5.000 21 HD1 TRP 10 HD1 TRP 10 -1.795 -1.125 2.603 22 HE1 TRP 10 HE1 TRP 10 -4.034 -0.888 3.874 23 HE3 TRP 10 HE3 TRP 10 0.033 0.451 7.128 24 HZ2 TRP 10 HZ2 TRP 10 -4.884 -0.135 6.459 25 HZ3 TRP 10 HZ3 TRP 10 -1.547 0.915 8.959 26 HH2 TRP 10 HH2 TRP 10 -3.968 0.625 8.638 27 H LEU 11 H LEU 11 3.016 -0.124 2.571 28 HA LEU 11 HA LEU 11 5.034 0.051 4.659 29 HB2 LEU 11 1HB LEU 11 5.063 -1.764 3.002 30 HB3 LEU 11 2HB LEU 11 5.210 -0.595 1.686 31 HG LEU 11 HG LEU 11 7.455 0.006 2.400 32 HD11 LEU 11 1HD1 LEU 11 8.521 -1.115 4.306 33 HD12 LEU 11 2HD1 LEU 11 7.106 -0.162 4.812 34 HD13 LEU 11 3HD1 LEU 11 6.987 -1.933 4.684 35 HD21 LEU 11 1HD2 LEU 11 8.558 -2.175 2.031 36 HD22 LEU 11 2HD2 LEU 11 7.024 -3.010 2.377 37 HD23 LEU 11 3HD2 LEU 11 7.166 -1.969 0.940 38 H GLN 12 H GLN 12 4.239 1.944 1.788 39 HA GLN 12 HA GLN 12 6.593 3.537 1.695 40 HB2 GLN 12 1HB GLN 12 3.706 4.087 0.923 41 HB3 GLN 12 2HB GLN 12 4.973 5.283 0.693 42 HG2 GLN 12 1HG GLN 12 6.197 3.727 -0.756 43 HG3 GLN 12 2HG GLN 12 4.907 2.514 -0.524 44 HE21 GLN 12 1HE2 GLN 12 4.256 4.183 -3.743 45 HE22 GLN 12 2HE2 GLN 12 5.487 3.172 -3.061 46 H GLU 13 H GLU 13 3.553 4.079 3.477 47 HA GLU 13 HA GLU 13 4.307 6.584 4.620 48 HB2 GLU 13 1HB GLU 13 2.442 4.386 5.598 49 HB3 GLU 13 2HB GLU 13 2.618 5.931 6.417 50 HG2 GLU 13 1HG GLU 13 1.799 7.116 4.467 51 HG3 GLU 13 2HG GLU 13 1.746 5.620 3.537 52 H MET 14 H MET 14 4.780 3.262 5.801 53 HA MET 14 HA MET 14 6.046 3.969 8.268 54 HB2 MET 14 1HB MET 14 5.248 1.689 7.734 55 HB3 MET 14 2HB MET 14 6.475 1.542 6.485 56 HG2 MET 14 1HG MET 14 7.163 0.360 8.482 57 HG3 MET 14 2HG MET 14 8.244 1.727 8.195 58 HE1 MET 14 1HE MET 14 5.275 1.207 11.664 59 HE2 MET 14 2HE MET 14 4.736 1.070 9.972 60 HE3 MET 14 3HE MET 14 5.937 -0.075 10.621 61 H CYS 15 H CYS 15 7.485 3.235 5.079 62 HA CYS 15 HA CYS 15 10.239 3.445 5.941 63 HB2 CYS 15 1HB CYS 15 10.847 3.258 3.777 64 HB3 CYS 15 2HB CYS 15 9.393 2.282 3.934 65 HG CYS 15 HG CYS 15 9.761 5.292 2.687 66 H MET 16 H MET 16 7.827 5.796 4.834 67 HA MET 16 HA MET 16 9.642 8.027 4.545 68 HB2 MET 16 1HB MET 16 6.671 7.831 5.132 69 HB3 MET 16 2HB MET 16 7.511 9.366 4.963 70 HG2 MET 16 1HG MET 16 8.070 8.891 2.667 71 HG3 MET 16 2HG MET 16 7.472 7.236 2.809 72 HE1 MET 16 1HE MET 16 4.856 11.045 2.725 73 HE2 MET 16 2HE MET 16 6.001 10.717 4.048 74 HE3 MET 16 3HE MET 16 6.605 10.998 2.397 75 H GLN 17 H GLN 17 7.609 6.933 7.269 76 HA GLN 17 HA GLN 17 8.580 8.930 9.099 77 HB2 GLN 17 1HB GLN 17 7.346 6.183 9.552 78 HB3 GLN 17 2HB GLN 17 7.717 7.307 10.851 79 HG2 GLN 17 1HG GLN 17 6.162 8.938 9.940 80 HG3 GLN 17 2HG GLN 17 5.825 7.861 8.556 81 HE21 GLN 17 1HE2 GLN 17 3.025 7.329 10.819 82 HE22 GLN 17 2HE2 GLN 17 3.630 8.541 9.738 83 H ARG 18 H ARG 18 9.872 5.882 8.009 84 HA ARG 18 HA ARG 18 11.845 5.833 10.233 85 HB2 ARG 18 1HB ARG 18 11.345 3.921 7.917 86 HB3 ARG 18 2HB ARG 18 12.548 3.682 9.174 87 HG2 ARG 18 1HG ARG 18 9.554 3.812 9.607 88 HG3 ARG 18 2HG ARG 18 10.554 2.340 9.571 89 HD2 ARG 18 1HD ARG 18 11.786 3.108 11.498 90 HD3 ARG 18 2HD ARG 18 10.844 4.617 11.518 91 HE ARG 18 HE ARG 18 9.068 3.493 12.456 92 HH11 ARG 18 1HH1 ARG 18 11.461 1.179 11.334 93 HH12 ARG 18 2HH1 ARG 18 10.703 -0.181 12.131 94 HH21 ARG 18 1HH2 ARG 18 8.093 1.720 13.486 95 HH22 ARG 18 2HH2 ARG 18 8.797 0.124 13.349 96 H ARG 19 H ARG 19 11.553 7.259 7.232 97 HA ARG 19 HA ARG 19 13.083 8.154 5.727 98 HB2 ARG 19 1HB ARG 19 14.933 7.930 8.135 99 HB3 ARG 19 2HB ARG 19 15.281 8.844 6.675 100 HG2 ARG 19 1HG ARG 19 13.305 10.283 7.144 101 HG3 ARG 19 2HG ARG 19 13.075 9.399 8.672 102 HD2 ARG 19 1HD ARG 19 15.400 10.026 9.285 103 HD3 ARG 19 2HD ARG 19 15.433 11.066 7.842 104 HE ARG 19 HE ARG 19 13.129 11.692 9.347 105 HH11 ARG 19 1HH1 ARG 19 16.627 11.934 9.565 106 HH12 ARG 19 2HH1 ARG 19 16.591 13.357 10.582 107 HH21 ARG 19 1HH2 ARG 19 13.095 13.539 10.667 108 HH22 ARG 19 2HH2 ARG 19 14.592 14.266 11.206 109 H TRP 20 H TRP 20 12.679 5.440 5.481 110 HA TRP 20 HA TRP 20 15.409 4.340 4.959 111 HB2 TRP 20 1HB TRP 20 12.645 3.077 5.106 112 HB3 TRP 20 2HB TRP 20 14.043 2.220 4.473 113 HD1 TRP 20 HD1 TRP 20 15.443 4.222 7.158 114 HE1 TRP 20 HE1 TRP 20 15.616 2.899 9.373 115 HE3 TRP 20 HE3 TRP 20 12.354 0.301 5.978 116 HZ2 TRP 20 HZ2 TRP 20 14.566 0.512 10.453 117 HZ3 TRP 20 HZ3 TRP 20 11.982 -1.471 7.647 118 HH2 TRP 20 HH2 TRP 20 13.065 -1.372 9.853 119 HA PRO 21 HA PRO 21 15.290 4.726 0.590 120 HB2 PRO 21 1HB PRO 21 15.674 1.705 0.551 121 HB3 PRO 21 2HB PRO 21 16.630 2.943 -0.274 122 HG2 PRO 21 1HG PRO 21 17.666 1.783 1.885 123 HG3 PRO 21 2HG PRO 21 17.831 3.531 1.697 124 HD2 PRO 21 1HD PRO 21 15.855 1.963 3.402 125 HD3 PRO 21 2HD PRO 21 16.787 3.457 3.820 126 HA PRO 22 HA PRO 22 11.270 3.886 -0.799 127 HB2 PRO 22 1HB PRO 22 12.678 3.133 -3.400 128 HB3 PRO 22 2HB PRO 22 11.325 4.248 -3.169 129 HG2 PRO 22 1HG PRO 22 13.740 5.275 -3.600 130 HG3 PRO 22 2HG PRO 22 12.721 5.996 -2.351 131 HD2 PRO 22 1HD PRO 22 15.049 4.064 -2.050 132 HD3 PRO 22 2HD PRO 22 14.625 5.507 -1.044 133 HA PRO 23 HA PRO 23 11.030 -0.464 -0.412 134 HB2 PRO 23 1HB PRO 23 8.312 -0.657 -0.338 135 HB3 PRO 23 2HB PRO 23 9.163 0.123 1.002 136 HG2 PRO 23 1HG PRO 23 7.768 1.412 -1.384 137 HG3 PRO 23 2HG PRO 23 7.614 1.824 0.326 138 HD2 PRO 23 1HD PRO 23 9.289 3.202 -1.341 139 HD3 PRO 23 2HD PRO 23 9.686 2.935 0.404 140 H SER 24 H SER 24 10.196 -2.307 -1.486 141 HA SER 24 HA SER 24 9.567 -1.809 -4.414 142 HB2 SER 24 1HB SER 24 11.468 -3.813 -3.321 143 HB3 SER 24 2HB SER 24 10.925 -3.658 -4.985 144 HG SER 24 HG SER 24 12.870 -2.600 -4.594 145 H TYR 25 H TYR 25 8.523 -3.619 -5.447 146 HA TYR 25 HA TYR 25 7.454 -5.800 -3.792 147 HB2 TYR 25 1HB TYR 25 5.104 -5.305 -4.221 148 HB3 TYR 25 2HB TYR 25 5.837 -3.990 -3.314 149 HD1 TYR 25 HD1 TYR 25 4.356 -5.007 -6.500 150 HD2 TYR 25 HD2 TYR 25 6.254 -1.814 -4.351 151 HE1 TYR 25 HE1 TYR 25 3.575 -3.395 -8.203 152 HE2 TYR 25 HE2 TYR 25 5.473 -0.203 -6.055 153 HH TYR 25 HH TYR 25 3.544 -1.269 -8.848 154 H GLU 26 H GLU 26 6.199 -7.348 -5.031 155 HA GLU 26 HA GLU 26 6.639 -7.241 -7.966 156 HB2 GLU 26 1HB GLU 26 7.799 -9.387 -8.007 157 HB3 GLU 26 2HB GLU 26 8.719 -8.249 -7.033 158 HG2 GLU 26 1HG GLU 26 7.741 -9.268 -4.984 159 HG3 GLU 26 2HG GLU 26 6.925 -10.454 -6.000 160 H THR 27 H THR 27 5.403 -8.645 -9.169 161 HA THR 27 HA THR 27 3.110 -9.825 -7.636 162 HB THR 27 HB THR 27 3.205 -8.800 -10.509 163 HG1 THR 27 HG1 THR 27 1.775 -7.204 -9.619 164 HG21 THR 27 1HG2 THR 27 0.775 -9.207 -10.479 165 HG22 THR 27 2HG2 THR 27 1.677 -10.719 -10.215 166 HG23 THR 27 3HG2 THR 27 0.905 -9.891 -8.842 167 H GLU 28 H GLU 28 2.705 -11.889 -7.711 168 HA GLU 28 HA GLU 28 4.518 -13.594 -9.324 169 HB2 GLU 28 1HB GLU 28 2.442 -14.273 -7.197 170 HB3 GLU 28 2HB GLU 28 3.487 -15.442 -7.991 171 HG2 GLU 28 1HG GLU 28 5.462 -14.173 -7.079 172 HG3 GLU 28 2HG GLU 28 4.326 -13.195 -6.153 173 H THR 29 H THR 29 3.537 -15.637 -10.224 174 HA THR 29 HA THR 29 1.840 -14.846 -12.402 175 HB THR 29 HB THR 29 2.485 -17.652 -11.391 176 HG1 THR 29 HG1 THR 29 4.116 -17.508 -13.035 177 HG21 THR 29 1HG2 THR 29 1.963 -18.328 -13.702 178 HG22 THR 29 2HG2 THR 29 0.552 -17.569 -12.928 179 HG23 THR 29 3HG2 THR 29 1.526 -16.650 -14.099 180 H GLU 30 H GLU 30 -0.251 -14.881 -12.763 181 HA GLU 30 HA GLU 30 -2.157 -15.118 -10.662 182 HB2 GLU 30 1HB GLU 30 -2.607 -13.947 -12.802 183 HB3 GLU 30 2HB GLU 30 -2.529 -15.475 -13.666 184 HG2 GLU 30 1HG GLU 30 -4.487 -16.287 -12.411 185 HG3 GLU 30 2HG GLU 30 -4.566 -14.752 -11.549 186 H VAL 31 H VAL 31 -3.311 -16.682 -9.792 187 HA VAL 31 HA VAL 31 -3.114 -19.448 -10.929 188 HB VAL 31 HB VAL 31 -2.658 -20.257 -8.566 189 HG11 VAL 31 1HG1 VAL 31 -0.246 -19.855 -8.645 190 HG12 VAL 31 2HG1 VAL 31 -0.907 -20.257 -10.247 191 HG13 VAL 31 3HG1 VAL 31 -0.500 -18.570 -9.850 192 HG21 VAL 31 1HG2 VAL 31 -1.643 -18.642 -6.991 193 HG22 VAL 31 2HG2 VAL 31 -1.947 -17.324 -8.148 194 HG23 VAL 31 3HG2 VAL 31 -3.313 -18.182 -7.396 195 H GLY 32 H GLY 32 -5.306 -18.284 -11.420 196 HA2 GLY 32 1HA GLY 32 -7.172 -19.497 -9.453 197 HA3 GLY 32 2HA GLY 32 -7.399 -17.787 -9.889 198 H LEU 33 H LEU 33 -9.527 -18.541 -10.622 199 HA LEU 33 HA LEU 33 -9.402 -19.940 -13.272 200 HB2 LEU 33 1HB LEU 33 -11.722 -19.720 -11.311 201 HB3 LEU 33 2HB LEU 33 -11.737 -20.597 -12.843 202 HG LEU 33 HG LEU 33 -10.020 -21.304 -10.438 203 HD11 LEU 33 1HD1 LEU 33 -11.558 -23.203 -10.208 204 HD12 LEU 33 2HD1 LEU 33 -12.401 -21.648 -10.022 205 HD13 LEU 33 3HD1 LEU 33 -12.547 -22.563 -11.541 206 HD21 LEU 33 1HD2 LEU 33 -9.566 -23.363 -11.727 207 HD22 LEU 33 2HD2 LEU 33 -10.528 -22.726 -13.083 208 HD23 LEU 33 3HD2 LEU 33 -9.013 -21.920 -12.610 209 HA PRO 34 HA PRO 34 -10.891 -16.552 -15.521 210 HB2 PRO 34 1HB PRO 34 -13.212 -18.363 -16.336 211 HB3 PRO 34 2HB PRO 34 -12.147 -17.412 -17.378 212 HG2 PRO 34 1HG PRO 34 -11.748 -20.036 -17.244 213 HG3 PRO 34 2HG PRO 34 -10.347 -18.963 -17.192 214 HD2 PRO 34 1HD PRO 34 -11.750 -20.399 -14.910 215 HD3 PRO 34 2HD PRO 34 -9.979 -20.146 -15.184 216 H HIS 35 H HIS 35 -13.352 -18.371 -13.727 217 HA HIS 35 HA HIS 35 -14.996 -15.904 -13.536 218 HB2 HIS 35 1HB HIS 35 -16.651 -17.391 -12.439 219 HB3 HIS 35 2HB HIS 35 -16.190 -17.991 -14.026 220 HD2 HIS 35 HD2 HIS 35 -15.163 -20.550 -14.050 221 HE1 HIS 35 HE1 HIS 35 -14.896 -21.035 -9.824 222 H GLU 36 H GLU 36 -12.483 -17.363 -11.866 223 HA GLU 36 HA GLU 36 -12.985 -15.635 -9.520 224 HB2 GLU 36 1HB GLU 36 -14.095 -17.882 -9.045 225 HB3 GLU 36 2HB GLU 36 -12.505 -18.621 -9.171 226 HG2 GLU 36 1HG GLU 36 -11.709 -17.221 -7.304 227 HG3 GLU 36 2HG GLU 36 -13.308 -16.493 -7.175 228 H ARG 37 H ARG 37 -11.197 -14.636 -10.727 229 HA ARG 37 HA ARG 37 -8.671 -16.042 -10.968 230 HB2 ARG 37 1HB ARG 37 -9.310 -13.066 -11.002 231 HB3 ARG 37 2HB ARG 37 -7.763 -13.770 -11.445 232 HG2 ARG 37 1HG ARG 37 -8.843 -14.962 -13.315 233 HG3 ARG 37 2HG ARG 37 -10.396 -14.212 -12.874 234 HD2 ARG 37 1HD ARG 37 -7.897 -12.699 -13.588 235 HD3 ARG 37 2HD ARG 37 -9.223 -13.076 -14.712 236 HE ARG 37 HE ARG 37 -10.438 -11.839 -12.564 237 HH11 ARG 37 1HH1 ARG 37 -7.888 -11.010 -14.835 238 HH12 ARG 37 2HH1 ARG 37 -8.226 -9.294 -14.780 239 HH21 ARG 37 1HH2 ARG 37 -10.866 -9.610 -12.501 240 HH22 ARG 37 2HH2 ARG 37 -9.911 -8.501 -13.459 241 H LEU 38 H LEU 38 -6.828 -15.946 -9.805 242 HA LEU 38 HA LEU 38 -6.992 -14.570 -7.152 243 HB2 LEU 38 1HB LEU 38 -5.919 -17.366 -7.710 244 HB3 LEU 38 2HB LEU 38 -5.810 -16.520 -6.163 245 HG LEU 38 HG LEU 38 -8.420 -17.322 -7.496 246 HD11 LEU 38 1HD1 LEU 38 -8.485 -19.104 -5.808 247 HD12 LEU 38 2HD1 LEU 38 -7.091 -19.282 -6.900 248 HD13 LEU 38 3HD1 LEU 38 -6.858 -18.640 -5.256 249 HD21 LEU 38 1HD2 LEU 38 -9.352 -16.812 -5.264 250 HD22 LEU 38 2HD2 LEU 38 -7.737 -16.315 -4.703 251 HD23 LEU 38 3HD2 LEU 38 -8.564 -15.380 -5.972 252 H PHE 39 H PHE 39 -5.250 -13.532 -6.463 253 HA PHE 39 HA PHE 39 -2.797 -13.702 -8.176 254 HB2 PHE 39 1HB PHE 39 -4.110 -11.137 -7.181 255 HB3 PHE 39 2HB PHE 39 -2.629 -11.250 -8.119 256 HD1 PHE 39 HD1 PHE 39 -6.259 -11.306 -8.213 257 HD2 PHE 39 HD2 PHE 39 -2.702 -11.945 -10.491 258 HE1 PHE 39 HE1 PHE 39 -7.574 -11.166 -10.301 259 HE2 PHE 39 HE2 PHE 39 -4.013 -11.803 -12.582 260 HZ PHE 39 HZ PHE 39 -6.450 -11.415 -12.486 261 H THR 40 H THR 40 -0.857 -13.239 -7.228 262 HA THR 40 HA THR 40 -0.911 -12.776 -4.269 263 HB THR 40 HB THR 40 0.893 -14.747 -5.743 264 HG1 THR 40 HG1 THR 40 -0.285 -16.273 -4.453 265 HG21 THR 40 1HG2 THR 40 1.689 -15.318 -3.483 266 HG22 THR 40 2HG2 THR 40 2.006 -13.607 -3.855 267 HG23 THR 40 3HG2 THR 40 0.651 -14.050 -2.791 268 H ILE 41 H ILE 41 0.346 -11.249 -3.536 269 HA ILE 41 HA ILE 41 2.582 -10.253 -5.259 270 HB ILE 41 HB ILE 41 0.331 -8.567 -4.053 271 HG12 ILE 41 1HG1 ILE 41 1.214 -8.948 -6.924 272 HG13 ILE 41 2HG1 ILE 41 -0.236 -9.619 -6.194 273 HG21 ILE 41 1HG2 ILE 41 1.576 -6.630 -4.923 274 HG22 ILE 41 2HG2 ILE 41 2.532 -7.510 -3.708 275 HG23 ILE 41 3HG2 ILE 41 2.897 -7.704 -5.438 276 HD11 ILE 41 1HD1 ILE 41 -0.752 -7.639 -7.506 277 HD12 ILE 41 2HD1 ILE 41 -1.094 -7.354 -5.782 278 HD13 ILE 41 3HD1 ILE 41 0.374 -6.673 -6.523 279 H ALA 42 H ALA 42 4.310 -9.465 -4.289 280 HA ALA 42 HA ALA 42 4.268 -9.602 -1.301 281 HB1 ALA 42 1HB ALA 42 6.578 -10.462 -1.406 282 HB2 ALA 42 2HB ALA 42 5.439 -11.549 -2.236 283 HB3 ALA 42 3HB ALA 42 6.491 -10.471 -3.183 284 H CYS 43 H CYS 43 5.560 -8.187 -0.153 285 HA CYS 43 HA CYS 43 6.817 -5.919 -1.733 286 HB2 CYS 43 1HB CYS 43 5.203 -5.652 0.757 287 HB3 CYS 43 2HB CYS 43 6.120 -4.393 -0.057 288 HG CYS 43 HG CYS 43 3.610 -4.039 -0.451 289 H SER 44 H SER 44 8.618 -4.956 -0.755 290 HA SER 44 HA SER 44 9.915 -6.394 1.555 291 HB2 SER 44 1HB SER 44 11.826 -6.955 0.408 292 HB3 SER 44 2HB SER 44 10.444 -7.699 -0.381 293 HG SER 44 HG SER 44 11.885 -6.765 -1.832 294 H ILE 45 H ILE 45 11.584 -5.212 2.499 295 HA ILE 45 HA ILE 45 12.793 -2.928 1.131 296 HB ILE 45 HB ILE 45 10.667 -1.920 2.125 297 HG12 ILE 45 1HG1 ILE 45 13.211 -0.923 3.421 298 HG13 ILE 45 2HG1 ILE 45 12.816 -0.669 1.728 299 HG21 ILE 45 1HG2 ILE 45 10.581 -1.666 4.572 300 HG22 ILE 45 2HG2 ILE 45 10.523 -3.382 4.105 301 HG23 ILE 45 3HG2 ILE 45 12.033 -2.682 4.733 302 HD11 ILE 45 1HD1 ILE 45 12.241 1.279 3.065 303 HD12 ILE 45 2HD1 ILE 45 10.776 0.541 2.372 304 HD13 ILE 45 3HD1 ILE 45 11.177 0.285 4.087 305 H LEU 46 H LEU 46 14.807 -2.781 1.585 306 HA LEU 46 HA LEU 46 16.839 -3.391 2.535 307 HB2 LEU 46 1HB LEU 46 15.219 -2.948 5.077 308 HB3 LEU 46 2HB LEU 46 16.980 -3.065 5.005 309 HG LEU 46 HG LEU 46 15.316 -0.891 3.685 310 HD11 LEU 46 1HD1 LEU 46 16.233 0.544 5.454 311 HD12 LEU 46 2HD1 LEU 46 15.241 -0.773 6.123 312 HD13 LEU 46 3HD1 LEU 46 17.017 -0.871 6.195 313 HD21 LEU 46 1HD2 LEU 46 17.517 0.176 3.329 314 HD22 LEU 46 2HD2 LEU 46 18.321 -1.245 4.040 315 HD23 LEU 46 3HD2 LEU 46 17.429 -1.402 2.508 316 H ASN 47 H ASN 47 15.736 -4.636 5.481 317 HA ASN 47 HA ASN 47 16.383 -7.393 4.493 318 HB2 ASN 47 1HB ASN 47 16.696 -6.161 7.245 319 HB3 ASN 47 2HB ASN 47 17.001 -7.848 6.855 320 HD21 ASN 47 1HD2 ASN 47 19.850 -5.121 6.320 321 HD22 ASN 47 2HD2 ASN 47 18.379 -4.853 7.195 322 H TYR 48 H TYR 48 13.751 -6.065 4.389 323 HA TYR 48 HA TYR 48 12.278 -8.094 6.035 324 HB2 TYR 48 1HB TYR 48 11.402 -5.232 5.487 325 HB3 TYR 48 2HB TYR 48 10.478 -6.449 6.356 326 HD1 TYR 48 HD1 TYR 48 13.287 -4.110 6.505 327 HD2 TYR 48 HD2 TYR 48 11.119 -7.159 8.606 328 HE1 TYR 48 HE1 TYR 48 14.350 -3.407 8.622 329 HE2 TYR 48 HE2 TYR 48 12.182 -6.455 10.724 330 HH TYR 48 HH TYR 48 14.512 -3.768 10.808 331 H ARG 49 H ARG 49 10.418 -8.958 5.186 332 HA ARG 49 HA ARG 49 9.434 -8.163 2.559 333 HB2 ARG 49 1HB ARG 49 11.504 -9.442 1.948 334 HB3 ARG 49 2HB ARG 49 10.876 -10.831 2.822 335 HG2 ARG 49 1HG ARG 49 9.096 -11.128 1.266 336 HG3 ARG 49 2HG ARG 49 9.425 -9.558 0.494 337 HD2 ARG 49 1HD ARG 49 11.617 -10.391 -0.201 338 HD3 ARG 49 2HD ARG 49 11.224 -11.970 0.516 339 HE ARG 49 HE ARG 49 10.216 -10.847 -1.973 340 HH11 ARG 49 1HH1 ARG 49 9.750 -13.245 0.552 341 HH12 ARG 49 2HH1 ARG 49 8.787 -14.302 -0.456 342 HH21 ARG 49 1HH2 ARG 49 8.965 -12.227 -3.272 343 HH22 ARG 49 2HH2 ARG 49 8.342 -13.727 -2.621 344 H GLU 50 H GLU 50 7.366 -8.527 2.489 345 HA GLU 50 HA GLU 50 6.331 -11.043 3.727 346 HB2 GLU 50 1HB GLU 50 5.135 -8.256 4.029 347 HB3 GLU 50 2HB GLU 50 4.297 -9.744 4.448 348 HG2 GLU 50 1HG GLU 50 6.920 -8.894 5.688 349 HG3 GLU 50 2HG GLU 50 5.339 -8.501 6.359 350 H MET 51 H MET 51 4.043 -11.470 3.020 351 HA MET 51 HA MET 51 3.512 -10.578 0.242 352 HB2 MET 51 1HB MET 51 3.546 -12.828 -0.664 353 HB3 MET 51 2HB MET 51 5.128 -12.448 0.001 354 HG2 MET 51 1HG MET 51 4.588 -13.753 2.028 355 HG3 MET 51 2HG MET 51 3.005 -14.142 1.349 356 HE1 MET 51 1HE MET 51 3.805 -16.488 -1.613 357 HE2 MET 51 2HE MET 51 2.553 -15.850 -0.520 358 HE3 MET 51 3HE MET 51 3.403 -14.754 -1.636 359 H GLY 52 H GLY 52 1.473 -11.110 -0.552 360 HA2 GLY 52 1HA GLY 52 -0.371 -12.572 1.224 361 HA3 GLY 52 2HA GLY 52 -0.746 -10.854 0.954 362 H LYS 53 H LYS 53 -2.649 -12.541 0.193 363 HA LYS 53 HA LYS 53 -2.601 -12.404 -2.758 364 HB2 LYS 53 1HB LYS 53 -3.131 -14.753 -3.081 365 HB3 LYS 53 2HB LYS 53 -1.584 -14.621 -2.256 366 HG2 LYS 53 1HG LYS 53 -2.695 -15.119 -0.101 367 HG3 LYS 53 2HG LYS 53 -4.239 -15.279 -0.949 368 HD2 LYS 53 1HD LYS 53 -3.295 -17.117 -2.317 369 HD3 LYS 53 2HD LYS 53 -1.756 -16.961 -1.457 370 HE2 LYS 53 1HE LYS 53 -2.861 -17.532 0.664 371 HE3 LYS 53 2HE LYS 53 -4.421 -17.632 -0.155 372 HZ1 LYS 53 1HZ LYS 53 -3.440 -19.786 0.141 373 HZ2 LYS 53 2HZ LYS 53 -3.549 -19.442 -1.468 374 HZ3 LYS 53 3HZ LYS 53 -2.092 -19.349 -0.702 375 H GLY 54 H GLY 54 -4.655 -12.858 -3.737 376 HA2 GLY 54 1HA GLY 54 -7.037 -13.144 -2.145 377 HA3 GLY 54 2HA GLY 54 -6.750 -11.434 -2.542 378 H LYS 55 H LYS 55 -8.863 -11.747 -3.658 379 HA LYS 55 HA LYS 55 -8.758 -13.282 -6.187 380 HB2 LYS 55 1HB LYS 55 -10.927 -11.575 -4.904 381 HB3 LYS 55 2HB LYS 55 -11.105 -12.408 -6.443 382 HG2 LYS 55 1HG LYS 55 -10.777 -14.577 -5.316 383 HG3 LYS 55 2HG LYS 55 -10.590 -13.741 -3.768 384 HD2 LYS 55 1HD LYS 55 -12.871 -12.828 -3.968 385 HD3 LYS 55 2HD LYS 55 -13.061 -13.623 -5.538 386 HE2 LYS 55 1HE LYS 55 -12.754 -15.829 -4.452 387 HE3 LYS 55 2HE LYS 55 -12.581 -15.033 -2.886 388 HZ1 LYS 55 1HZ LYS 55 -14.801 -15.834 -3.228 389 HZ2 LYS 55 2HZ LYS 55 -14.813 -14.187 -3.135 390 HZ3 LYS 55 3HZ LYS 55 -14.975 -14.932 -4.598 391 H SER 56 H SER 56 -7.880 -10.203 -5.123 392 HA SER 56 HA SER 56 -7.750 -9.242 -7.997 393 HB2 SER 56 1HB SER 56 -8.480 -7.595 -5.635 394 HB3 SER 56 2HB SER 56 -8.139 -7.025 -7.262 395 HG SER 56 HG SER 56 -10.333 -7.337 -6.883 396 H LYS 57 H LYS 57 -5.950 -7.977 -8.485 397 HA LYS 57 HA LYS 57 -3.514 -8.457 -7.033 398 HB2 LYS 57 1HB LYS 57 -4.253 -6.411 -9.158 399 HB3 LYS 57 2HB LYS 57 -2.628 -6.591 -8.511 400 HG2 LYS 57 1HG LYS 57 -2.565 -8.927 -9.320 401 HG3 LYS 57 2HG LYS 57 -4.193 -8.730 -9.984 402 HD2 LYS 57 1HD LYS 57 -3.363 -6.872 -11.418 403 HD3 LYS 57 2HD LYS 57 -1.732 -7.129 -10.780 404 HE2 LYS 57 1HE LYS 57 -1.736 -9.430 -11.668 405 HE3 LYS 57 2HE LYS 57 -3.375 -9.200 -12.284 406 HZ1 LYS 57 1HZ LYS 57 -1.739 -8.871 -13.987 407 HZ2 LYS 57 2HZ LYS 57 -2.536 -7.455 -13.701 408 HZ3 LYS 57 3HZ LYS 57 -1.004 -7.671 -13.127 409 H LYS 58 H LYS 58 -5.789 -5.735 -7.052 410 HA LYS 58 HA LYS 58 -4.360 -3.994 -5.323 411 HB2 LYS 58 1HB LYS 58 -6.468 -3.386 -6.490 412 HB3 LYS 58 2HB LYS 58 -7.360 -4.499 -5.462 413 HG2 LYS 58 1HG LYS 58 -6.808 -3.166 -3.485 414 HG3 LYS 58 2HG LYS 58 -5.830 -2.074 -4.475 415 HD2 LYS 58 1HD LYS 58 -7.825 -1.445 -5.779 416 HD3 LYS 58 2HD LYS 58 -8.811 -2.566 -4.829 417 HE2 LYS 58 1HE LYS 58 -8.291 -1.285 -2.777 418 HE3 LYS 58 2HE LYS 58 -7.307 -0.165 -3.723 419 HZ1 LYS 58 1HZ LYS 58 -9.501 0.690 -3.347 420 HZ2 LYS 58 2HZ LYS 58 -9.275 0.429 -4.960 421 HZ3 LYS 58 3HZ LYS 58 -10.195 -0.616 -4.076 422 H ILE 59 H ILE 59 -6.581 -6.662 -4.505 423 HA ILE 59 HA ILE 59 -6.377 -6.312 -1.651 424 HB ILE 59 HB ILE 59 -7.019 -8.761 -3.367 425 HG12 ILE 59 1HG1 ILE 59 -8.883 -7.013 -1.752 426 HG13 ILE 59 2HG1 ILE 59 -8.569 -6.774 -3.463 427 HG21 ILE 59 1HG2 ILE 59 -7.896 -9.764 -1.297 428 HG22 ILE 59 2HG2 ILE 59 -6.152 -9.443 -1.162 429 HG23 ILE 59 3HG2 ILE 59 -7.319 -8.361 -0.367 430 HD11 ILE 59 1HD1 ILE 59 -10.621 -8.031 -3.116 431 HD12 ILE 59 2HD1 ILE 59 -9.406 -9.033 -3.946 432 HD13 ILE 59 3HD1 ILE 59 -9.727 -9.275 -2.213 433 H ALA 60 H ALA 60 -4.614 -8.501 -3.838 434 HA ALA 60 HA ALA 60 -3.057 -9.712 -1.801 435 HB1 ALA 60 1HB ALA 60 -1.517 -10.341 -3.624 436 HB2 ALA 60 2HB ALA 60 -3.215 -10.609 -4.084 437 HB3 ALA 60 3HB ALA 60 -2.337 -9.194 -4.708 438 H LYS 61 H LYS 61 -2.402 -6.827 -3.784 439 HA LYS 61 HA LYS 61 0.241 -6.376 -2.739 440 HB2 LYS 61 1HB LYS 61 -0.785 -5.374 -4.856 441 HB3 LYS 61 2HB LYS 61 -1.676 -4.276 -3.811 442 HG2 LYS 61 1HG LYS 61 0.460 -3.400 -2.918 443 HG3 LYS 61 2HG LYS 61 1.343 -4.487 -3.999 444 HD2 LYS 61 1HD LYS 61 -0.658 -2.406 -4.951 445 HD3 LYS 61 2HD LYS 61 1.089 -2.136 -4.865 446 HE2 LYS 61 1HE LYS 61 1.454 -4.038 -6.410 447 HE3 LYS 61 2HE LYS 61 -0.290 -4.297 -6.503 448 HZ1 LYS 61 1HZ LYS 61 0.512 -3.019 -8.350 449 HZ2 LYS 61 2HZ LYS 61 -0.508 -2.098 -7.438 450 HZ3 LYS 61 3HZ LYS 61 1.121 -1.856 -7.353 451 H ARG 62 H ARG 62 -2.937 -5.056 -1.815 452 HA ARG 62 HA ARG 62 -1.929 -3.298 0.214 453 HB2 ARG 62 1HB ARG 62 -4.616 -4.657 -0.182 454 HB3 ARG 62 2HB ARG 62 -4.304 -3.544 1.141 455 HG2 ARG 62 1HG ARG 62 -3.905 -1.726 -0.397 456 HG3 ARG 62 2HG ARG 62 -4.022 -2.831 -1.789 457 HD2 ARG 62 1HD ARG 62 -6.070 -1.641 -1.557 458 HD3 ARG 62 2HD ARG 62 -6.339 -3.343 -1.113 459 HE ARG 62 HE ARG 62 -5.712 -1.711 1.172 460 HH11 ARG 62 1HH1 ARG 62 -8.289 -2.624 -1.034 461 HH12 ARG 62 2HH1 ARG 62 -9.563 -2.293 0.119 462 HH21 ARG 62 1HH2 ARG 62 -7.374 -1.284 2.659 463 HH22 ARG 62 2HH2 ARG 62 -9.046 -1.534 2.209 464 H LEU 63 H LEU 63 -2.965 -6.689 0.327 465 HA LEU 63 HA LEU 63 -2.769 -6.979 3.171 466 HB2 LEU 63 1HB LEU 63 -2.485 -8.943 0.868 467 HB3 LEU 63 2HB LEU 63 -2.411 -9.440 2.561 468 HG LEU 63 HG LEU 63 -4.803 -8.068 1.283 469 HD11 LEU 63 1HD1 LEU 63 -5.827 -10.299 1.310 470 HD12 LEU 63 2HD1 LEU 63 -4.388 -10.249 0.265 471 HD13 LEU 63 3HD1 LEU 63 -4.292 -10.997 1.877 472 HD21 LEU 63 1HD2 LEU 63 -5.939 -8.829 3.342 473 HD22 LEU 63 2HD2 LEU 63 -4.405 -9.507 3.939 474 HD23 LEU 63 3HD2 LEU 63 -4.578 -7.749 3.725 475 H ALA 64 H ALA 64 -0.395 -7.676 0.597 476 HA ALA 64 HA ALA 64 1.695 -8.482 2.351 477 HB1 ALA 64 1HB ALA 64 3.198 -7.982 0.458 478 HB2 ALA 64 2HB ALA 64 1.755 -8.877 -0.074 479 HB3 ALA 64 3HB ALA 64 1.873 -7.126 -0.364 480 H ALA 65 H ALA 65 0.862 -5.273 1.048 481 HA ALA 65 HA ALA 65 3.127 -3.936 2.175 482 HB1 ALA 65 1HB ALA 65 1.843 -1.871 1.753 483 HB2 ALA 65 2HB ALA 65 1.787 -2.971 0.355 484 HB3 ALA 65 3HB ALA 65 0.386 -2.844 1.444 485 H HIS 66 H HIS 66 -0.141 -4.551 3.405 486 HA HIS 66 HA HIS 66 0.190 -2.977 5.811 487 HB2 HIS 66 1HB HIS 66 -2.020 -3.774 4.784 488 HB3 HIS 66 2HB HIS 66 -1.646 -5.372 5.416 489 HD2 HIS 66 HD2 HIS 66 -0.623 -2.733 8.097 490 HE1 HIS 66 HE1 HIS 66 -4.592 -3.997 8.929 491 H ARG 67 H ARG 67 0.717 -6.402 5.039 492 HA ARG 67 HA ARG 67 1.547 -7.222 7.650 493 HB2 ARG 67 1HB ARG 67 2.270 -8.144 4.853 494 HB3 ARG 67 2HB ARG 67 2.986 -8.879 6.279 495 HG2 ARG 67 1HG ARG 67 0.707 -9.475 7.078 496 HG3 ARG 67 2HG ARG 67 0.046 -8.820 5.561 497 HD2 ARG 67 1HD ARG 67 0.275 -11.196 5.399 498 HD3 ARG 67 2HD ARG 67 1.440 -10.405 4.312 499 HE ARG 67 HE ARG 67 3.189 -11.195 5.604 500 HH11 ARG 67 1HH1 ARG 67 0.122 -11.849 7.187 501 HH12 ARG 67 2HH1 ARG 67 0.818 -12.942 8.362 502 HH21 ARG 67 1HH2 ARG 67 4.081 -12.616 7.134 503 HH22 ARG 67 2HH2 ARG 67 3.059 -13.377 8.332 504 H MET 68 H MET 68 3.355 -5.714 4.989 505 HA MET 68 HA MET 68 5.906 -5.723 6.314 506 HB2 MET 68 1HB MET 68 4.712 -3.907 4.193 507 HB3 MET 68 2HB MET 68 6.375 -3.782 4.748 508 HG2 MET 68 1HG MET 68 5.150 -6.241 3.465 509 HG3 MET 68 2HG MET 68 6.151 -5.044 2.640 510 HE1 MET 68 1HE MET 68 9.651 -5.527 4.253 511 HE2 MET 68 2HE MET 68 8.713 -4.753 2.952 512 HE3 MET 68 3HE MET 68 8.413 -4.311 4.651 513 H TRP 69 H TRP 69 3.299 -3.292 6.226 514 HA TRP 69 HA TRP 69 4.544 -1.354 7.884 515 HB2 TRP 69 1HB TRP 69 2.392 -1.016 6.656 516 HB3 TRP 69 2HB TRP 69 1.598 -2.129 7.761 517 HD1 TRP 69 HD1 TRP 69 3.131 1.404 7.653 518 HE1 TRP 69 HE1 TRP 69 2.249 2.764 9.668 519 HE3 TRP 69 HE3 TRP 69 0.664 -2.355 10.120 520 HZ2 TRP 69 HZ2 TRP 69 0.707 2.281 11.983 521 HZ3 TRP 69 HZ3 TRP 69 -0.493 -1.840 12.231 522 HH2 TRP 69 HH2 TRP 69 -0.479 0.441 13.152 523 H MET 70 H MET 70 2.422 -4.067 8.837 524 HA MET 70 HA MET 70 2.678 -3.606 11.661 525 HB2 MET 70 1HB MET 70 2.010 -6.090 10.048 526 HB3 MET 70 2HB MET 70 1.972 -6.041 11.805 527 HG2 MET 70 1HG MET 70 0.293 -4.166 11.636 528 HG3 MET 70 2HG MET 70 0.248 -4.446 9.893 529 HE1 MET 70 1HE MET 70 -1.465 -7.843 9.483 530 HE2 MET 70 2HE MET 70 -1.042 -6.287 8.727 531 HE3 MET 70 3HE MET 70 0.244 -7.385 9.287 532 H ARG 71 H ARG 71 4.551 -5.600 9.399 533 HA ARG 71 HA ARG 71 6.185 -6.919 11.311 534 HB2 ARG 71 1HB ARG 71 6.175 -7.522 8.925 535 HB3 ARG 71 2HB ARG 71 6.853 -5.958 8.500 536 HG2 ARG 71 1HG ARG 71 8.566 -7.650 8.417 537 HG3 ARG 71 2HG ARG 71 8.912 -6.529 9.757 538 HD2 ARG 71 1HD ARG 71 9.310 -8.760 10.480 539 HD3 ARG 71 2HD ARG 71 7.857 -8.141 11.299 540 HE ARG 71 HE ARG 71 7.284 -9.606 8.867 541 HH11 ARG 71 1HH1 ARG 71 7.898 -9.869 12.316 542 HH12 ARG 71 2HH1 ARG 71 7.059 -11.395 12.476 543 HH21 ARG 71 1HH2 ARG 71 6.197 -11.588 9.087 544 HH22 ARG 71 2HH2 ARG 71 6.096 -12.369 10.649 545 H LEU 72 H LEU 72 6.633 -3.760 9.732 546 HA LEU 72 HA LEU 72 9.154 -3.300 11.152 547 HB2 LEU 72 1HB LEU 72 7.396 -1.745 9.258 548 HB3 LEU 72 2HB LEU 72 8.604 -0.881 10.214 549 HG LEU 72 HG LEU 72 10.407 -1.994 9.143 550 HD11 LEU 72 1HD1 LEU 72 10.091 -3.894 7.621 551 HD12 LEU 72 2HD1 LEU 72 9.501 -4.259 9.260 552 HD13 LEU 72 3HD1 LEU 72 8.345 -3.876 7.962 553 HD21 LEU 72 1HD2 LEU 72 9.972 -1.542 6.753 554 HD22 LEU 72 2HD2 LEU 72 8.223 -1.491 7.079 555 HD23 LEU 72 3HD2 LEU 72 9.296 -0.255 7.781 556 H GLN 73 H GLN 73 5.774 -2.419 11.571 557 HA GLN 73 HA GLN 73 6.138 -0.462 13.622 558 HB2 GLN 73 1HB GLN 73 3.971 -0.898 12.461 559 HB3 GLN 73 2HB GLN 73 3.868 -2.463 13.255 560 HG2 GLN 73 1HG GLN 73 2.457 -0.901 14.396 561 HG3 GLN 73 2HG GLN 73 3.835 -1.311 15.455 562 HE21 GLN 73 1HE2 GLN 73 4.455 2.044 16.043 563 HE22 GLN 73 2HE2 GLN 73 4.271 0.430 16.647 564 H GLU 74 H GLU 74 5.819 -4.000 13.810 565 HA GLU 74 HA GLU 74 6.210 -3.892 16.746 566 HB2 GLU 74 1HB GLU 74 5.806 -6.219 14.819 567 HB3 GLU 74 2HB GLU 74 5.965 -6.383 16.562 568 HG2 GLU 74 1HG GLU 74 3.928 -5.040 16.878 569 HG3 GLU 74 2HG GLU 74 3.769 -4.871 15.131 Start of MODEL 5 1 H1 ILE 8 1H ILE 8 -0.334 -0.471 -0.816 2 H2 ILE 8 2H ILE 8 -0.334 -0.471 0.816 3 H3 ILE 8 3H ILE 8 -0.334 0.943 0.000 4 HA ILE 8 HA ILE 8 1.842 -0.445 0.917 5 HB ILE 8 HB ILE 8 1.548 -0.378 -2.128 6 HG12 ILE 8 1HG1 ILE 8 2.167 -2.706 -0.298 7 HG13 ILE 8 2HG1 ILE 8 0.568 -2.343 -0.929 8 HG21 ILE 8 1HG2 ILE 8 3.887 -1.142 -2.183 9 HG22 ILE 8 2HG2 ILE 8 3.757 0.462 -1.424 10 HG23 ILE 8 3HG2 ILE 8 3.985 -0.984 -0.413 11 HD11 ILE 8 1HD1 ILE 8 1.660 -4.072 -2.245 12 HD12 ILE 8 2HD1 ILE 8 1.401 -2.609 -3.226 13 HD13 ILE 8 3HD1 ILE 8 3.021 -2.978 -2.586 14 H GLY 9 H GLY 9 0.421 2.050 -1.084 15 HA2 GLY 9 1HA GLY 9 2.617 3.797 -1.287 16 HA3 GLY 9 2HA GLY 9 0.914 4.305 -1.203 17 H TRP 10 H TRP 10 0.315 3.318 1.385 18 HA TRP 10 HA TRP 10 1.192 5.379 3.120 19 HB2 TRP 10 1HB TRP 10 -0.769 3.863 3.529 20 HB3 TRP 10 2HB TRP 10 0.347 2.547 3.866 21 HD1 TRP 10 HD1 TRP 10 1.397 5.926 5.233 22 HE1 TRP 10 HE1 TRP 10 1.099 5.960 7.802 23 HE3 TRP 10 HE3 TRP 10 -1.222 1.551 5.780 24 HZ2 TRP 10 HZ2 TRP 10 -0.099 4.334 9.774 25 HZ3 TRP 10 HZ3 TRP 10 -1.913 0.845 8.036 26 HH2 TRP 10 HH2 TRP 10 -1.366 2.212 10.006 27 H LEU 11 H LEU 11 2.446 2.050 2.806 28 HA LEU 11 HA LEU 11 4.486 2.425 4.814 29 HB2 LEU 11 1HB LEU 11 4.177 0.436 2.531 30 HB3 LEU 11 2HB LEU 11 5.481 0.359 3.719 31 HG LEU 11 HG LEU 11 2.525 0.153 4.391 32 HD11 LEU 11 1HD1 LEU 11 2.989 -2.237 4.698 33 HD12 LEU 11 2HD1 LEU 11 3.267 -1.725 3.017 34 HD13 LEU 11 3HD1 LEU 11 4.649 -1.991 4.107 35 HD21 LEU 11 1HD2 LEU 11 3.389 -0.618 6.574 36 HD22 LEU 11 2HD2 LEU 11 5.056 -0.349 6.010 37 HD23 LEU 11 3HD2 LEU 11 3.950 1.032 6.210 38 H GLN 12 H GLN 12 4.384 2.936 1.331 39 HA GLN 12 HA GLN 12 7.183 3.403 0.950 40 HB2 GLN 12 1HB GLN 12 4.728 4.507 -0.473 41 HB3 GLN 12 2HB GLN 12 6.374 4.823 -1.003 42 HG2 GLN 12 1HG GLN 12 6.753 2.457 -1.389 43 HG3 GLN 12 2HG GLN 12 5.126 2.078 -0.759 44 HE21 GLN 12 1HE2 GLN 12 4.832 2.022 -4.412 45 HE22 GLN 12 2HE2 GLN 12 5.608 1.100 -3.167 46 H GLU 13 H GLU 13 4.539 5.624 1.824 47 HA GLU 13 HA GLU 13 6.196 7.962 2.042 48 HB2 GLU 13 1HB GLU 13 3.579 7.182 3.389 49 HB3 GLU 13 2HB GLU 13 4.331 8.760 3.576 50 HG2 GLU 13 1HG GLU 13 4.089 9.224 1.219 51 HG3 GLU 13 2HG GLU 13 3.514 7.587 0.911 52 H MET 14 H MET 14 5.189 5.550 4.466 53 HA MET 14 HA MET 14 6.551 6.712 6.684 54 HB2 MET 14 1HB MET 14 5.902 3.821 6.017 55 HB3 MET 14 2HB MET 14 6.571 4.338 7.558 56 HG2 MET 14 1HG MET 14 4.603 5.653 8.046 57 HG3 MET 14 2HG MET 14 3.951 5.362 6.432 58 HE1 MET 14 1HE MET 14 4.339 2.169 9.756 59 HE2 MET 14 2HE MET 14 5.759 2.901 8.970 60 HE3 MET 14 3HE MET 14 4.681 3.902 9.974 61 H CYS 15 H CYS 15 7.696 4.408 4.228 62 HA CYS 15 HA CYS 15 10.315 3.882 5.239 63 HB2 CYS 15 1HB CYS 15 9.323 2.671 3.432 64 HB3 CYS 15 2HB CYS 15 9.450 4.085 2.395 65 HG CYS 15 HG CYS 15 12.029 4.329 2.590 66 H MET 16 H MET 16 9.229 6.382 2.895 67 HA MET 16 HA MET 16 11.775 7.658 2.629 68 HB2 MET 16 1HB MET 16 8.943 8.673 2.218 69 HB3 MET 16 2HB MET 16 10.373 9.618 1.829 70 HG2 MET 16 1HG MET 16 11.083 7.755 0.281 71 HG3 MET 16 2HG MET 16 9.514 7.000 0.575 72 HE1 MET 16 1HE MET 16 6.978 9.361 -1.084 73 HE2 MET 16 2HE MET 16 7.296 7.729 -0.447 74 HE3 MET 16 3HE MET 16 7.365 9.137 0.640 75 H GLN 17 H GLN 17 9.089 8.233 4.871 76 HA GLN 17 HA GLN 17 10.290 10.607 6.029 77 HB2 GLN 17 1HB GLN 17 8.104 8.714 6.981 78 HB3 GLN 17 2HB GLN 17 8.600 10.139 7.883 79 HG2 GLN 17 1HG GLN 17 7.952 11.579 6.020 80 HG3 GLN 17 2HG GLN 17 7.482 10.140 5.072 81 HE21 GLN 17 1HE2 GLN 17 4.338 11.388 6.398 82 HE22 GLN 17 2HE2 GLN 17 5.514 11.792 5.191 83 H ARG 18 H ARG 18 10.964 7.285 6.315 84 HA ARG 18 HA ARG 18 12.354 7.730 8.929 85 HB2 ARG 18 1HB ARG 18 11.578 5.203 7.426 86 HB3 ARG 18 2HB ARG 18 12.614 5.205 8.845 87 HG2 ARG 18 1HG ARG 18 10.820 6.069 10.223 88 HG3 ARG 18 2HG ARG 18 9.768 6.241 8.797 89 HD2 ARG 18 1HD ARG 18 9.992 3.796 8.438 90 HD3 ARG 18 2HD ARG 18 10.849 3.705 9.994 91 HE ARG 18 HE ARG 18 8.002 4.119 9.554 92 HH11 ARG 18 1HH1 ARG 18 10.681 4.388 11.810 93 HH12 ARG 18 2HH1 ARG 18 9.654 4.365 13.226 94 HH21 ARG 18 1HH2 ARG 18 6.679 4.091 11.400 95 HH22 ARG 18 2HH2 ARG 18 7.389 4.197 12.995 96 H ARG 19 H ARG 19 13.004 8.138 5.788 97 HA ARG 19 HA ARG 19 14.967 8.186 4.545 98 HB2 ARG 19 1HB ARG 19 16.243 7.999 7.303 99 HB3 ARG 19 2HB ARG 19 17.084 8.432 5.822 100 HG2 ARG 19 1HG ARG 19 15.710 10.456 5.615 101 HG3 ARG 19 2HG ARG 19 14.845 10.016 7.108 102 HD2 ARG 19 1HD ARG 19 17.029 10.036 8.284 103 HD3 ARG 19 2HD ARG 19 17.760 10.680 6.795 104 HE ARG 19 HE ARG 19 15.557 12.300 7.435 105 HH11 ARG 19 1HH1 ARG 19 18.698 11.454 8.764 106 HH12 ARG 19 2HH1 ARG 19 18.911 12.993 9.568 107 HH21 ARG 19 1HH2 ARG 19 15.846 14.293 8.484 108 HH22 ARG 19 2HH2 ARG 19 17.298 14.600 9.411 109 H TRP 20 H TRP 20 13.692 5.658 4.971 110 HA TRP 20 HA TRP 20 15.974 3.758 5.133 111 HB2 TRP 20 1HB TRP 20 12.959 3.424 4.927 112 HB3 TRP 20 2HB TRP 20 14.067 2.073 4.738 113 HD1 TRP 20 HD1 TRP 20 15.802 3.939 7.244 114 HE1 TRP 20 HE1 TRP 20 15.183 3.224 9.650 115 HE3 TRP 20 HE3 TRP 20 11.480 1.376 6.217 116 HZ2 TRP 20 HZ2 TRP 20 13.124 1.767 10.919 117 HZ3 TRP 20 HZ3 TRP 20 10.234 0.343 8.072 118 HH2 TRP 20 HH2 TRP 20 11.036 0.535 10.389 119 HA PRO 21 HA PRO 21 16.648 3.145 0.847 120 HB2 PRO 21 1HB PRO 21 16.056 0.213 1.419 121 HB3 PRO 21 2HB PRO 21 17.468 0.910 0.615 122 HG2 PRO 21 1HG PRO 21 17.742 0.041 3.116 123 HG3 PRO 21 2HG PRO 21 18.481 1.580 2.663 124 HD2 PRO 21 1HD PRO 21 15.877 1.067 4.154 125 HD3 PRO 21 2HD PRO 21 17.159 2.299 4.489 126 HA PRO 22 HA PRO 22 12.735 3.332 -1.030 127 HB2 PRO 22 1HB PRO 22 14.304 2.069 -3.329 128 HB3 PRO 22 2HB PRO 22 13.225 3.470 -3.379 129 HG2 PRO 22 1HG PRO 22 15.847 3.905 -3.435 130 HG3 PRO 22 2HG PRO 22 14.839 4.926 -2.406 131 HD2 PRO 22 1HD PRO 22 16.601 2.574 -1.639 132 HD3 PRO 22 2HD PRO 22 16.334 4.136 -0.765 133 HA PRO 23 HA PRO 23 11.436 -0.841 -0.526 134 HB2 PRO 23 1HB PRO 23 8.765 -0.340 -0.497 135 HB3 PRO 23 2HB PRO 23 9.758 0.220 0.855 136 HG2 PRO 23 1HG PRO 23 8.774 1.786 -1.569 137 HG3 PRO 23 2HG PRO 23 8.690 2.244 0.135 138 HD2 PRO 23 1HD PRO 23 10.693 3.135 -1.511 139 HD3 PRO 23 2HD PRO 23 10.963 2.822 0.251 140 H SER 24 H SER 24 10.199 -2.406 -1.639 141 HA SER 24 HA SER 24 9.471 -1.789 -4.484 142 HB2 SER 24 1HB SER 24 11.809 -2.025 -4.638 143 HB3 SER 24 2HB SER 24 11.748 -3.572 -3.808 144 HG SER 24 HG SER 24 11.757 -3.777 -6.047 145 H TYR 25 H TYR 25 7.971 -3.181 -5.243 146 HA TYR 25 HA TYR 25 7.560 -5.777 -3.821 147 HB2 TYR 25 1HB TYR 25 5.157 -5.457 -3.772 148 HB3 TYR 25 2HB TYR 25 5.928 -4.138 -2.901 149 HD1 TYR 25 HD1 TYR 25 3.965 -5.084 -5.833 150 HD2 TYR 25 HD2 TYR 25 5.989 -1.871 -3.836 151 HE1 TYR 25 HE1 TYR 25 2.757 -3.449 -7.238 152 HE2 TYR 25 HE2 TYR 25 4.780 -0.236 -5.240 153 HH TYR 25 HH TYR 25 2.444 -1.299 -7.704 154 H GLU 26 H GLU 26 6.404 -7.361 -5.012 155 HA GLU 26 HA GLU 26 6.554 -6.928 -7.972 156 HB2 GLU 26 1HB GLU 26 7.719 -9.273 -6.409 157 HB3 GLU 26 2HB GLU 26 7.587 -9.198 -8.161 158 HG2 GLU 26 1HG GLU 26 9.088 -7.243 -8.189 159 HG3 GLU 26 2HG GLU 26 9.226 -7.330 -6.434 160 H THR 27 H THR 27 5.172 -8.063 -9.230 161 HA THR 27 HA THR 27 2.974 -9.444 -7.727 162 HB THR 27 HB THR 27 2.891 -7.987 -10.407 163 HG1 THR 27 HG1 THR 27 1.538 -6.553 -9.184 164 HG21 THR 27 1HG2 THR 27 0.464 -8.391 -10.287 165 HG22 THR 27 2HG2 THR 27 1.364 -9.927 -10.325 166 HG23 THR 27 3HG2 THR 27 0.690 -9.328 -8.792 167 H GLU 28 H GLU 28 2.527 -11.471 -8.075 168 HA GLU 28 HA GLU 28 4.146 -12.923 -10.096 169 HB2 GLU 28 1HB GLU 28 2.274 -13.905 -7.899 170 HB3 GLU 28 2HB GLU 28 3.205 -14.947 -8.966 171 HG2 GLU 28 1HG GLU 28 4.358 -12.958 -6.998 172 HG3 GLU 28 2HG GLU 28 4.235 -14.699 -6.759 173 H THR 29 H THR 29 3.246 -14.483 -11.507 174 HA THR 29 HA THR 29 1.018 -13.479 -13.019 175 HB THR 29 HB THR 29 2.263 -16.265 -13.043 176 HG1 THR 29 HG1 THR 29 3.444 -15.356 -14.821 177 HG21 THR 29 1HG2 THR 29 1.337 -16.384 -15.322 178 HG22 THR 29 2HG2 THR 29 0.043 -16.165 -14.120 179 HG23 THR 29 3HG2 THR 29 0.586 -14.787 -15.105 180 H GLU 30 H GLU 30 -1.070 -13.954 -13.129 181 HA GLU 30 HA GLU 30 -2.429 -14.857 -10.806 182 HB2 GLU 30 1HB GLU 30 -4.426 -14.962 -12.245 183 HB3 GLU 30 2HB GLU 30 -3.514 -13.491 -12.551 184 HG2 GLU 30 1HG GLU 30 -3.017 -15.894 -14.270 185 HG3 GLU 30 2HG GLU 30 -4.479 -14.941 -14.514 186 H VAL 31 H VAL 31 -3.246 -16.710 -10.087 187 HA VAL 31 HA VAL 31 -2.765 -19.190 -11.722 188 HB VAL 31 HB VAL 31 -2.093 -20.323 -9.597 189 HG11 VAL 31 1HG1 VAL 31 0.175 -19.416 -9.456 190 HG12 VAL 31 2HG1 VAL 31 -0.377 -19.573 -11.141 191 HG13 VAL 31 3HG1 VAL 31 -0.346 -17.974 -10.359 192 HG21 VAL 31 1HG2 VAL 31 -1.457 -18.932 -7.651 193 HG22 VAL 31 2HG2 VAL 31 -2.035 -17.480 -8.503 194 HG23 VAL 31 3HG2 VAL 31 -3.186 -18.753 -8.033 195 H GLY 32 H GLY 32 -5.160 -17.747 -11.561 196 HA2 GLY 32 1HA GLY 32 -6.786 -19.624 -9.885 197 HA3 GLY 32 2HA GLY 32 -7.240 -17.933 -10.204 198 H LEU 33 H LEU 33 -9.207 -18.425 -11.156 199 HA LEU 33 HA LEU 33 -9.151 -20.159 -13.586 200 HB2 LEU 33 1HB LEU 33 -11.521 -19.022 -12.048 201 HB3 LEU 33 2HB LEU 33 -11.591 -20.201 -13.362 202 HG LEU 33 HG LEU 33 -10.363 -20.686 -10.624 203 HD11 LEU 33 1HD1 LEU 33 -12.316 -22.135 -10.286 204 HD12 LEU 33 2HD1 LEU 33 -12.792 -20.440 -10.546 205 HD13 LEU 33 3HD1 LEU 33 -12.966 -21.625 -11.862 206 HD21 LEU 33 1HD2 LEU 33 -10.251 -23.031 -11.398 207 HD22 LEU 33 2HD2 LEU 33 -10.873 -22.535 -12.991 208 HD23 LEU 33 3HD2 LEU 33 -9.279 -21.965 -12.441 209 HA PRO 34 HA PRO 34 -9.646 -16.956 -16.523 210 HB2 PRO 34 1HB PRO 34 -12.172 -18.440 -17.362 211 HB3 PRO 34 2HB PRO 34 -10.821 -17.916 -18.375 212 HG2 PRO 34 1HG PRO 34 -11.006 -20.498 -17.770 213 HG3 PRO 34 2HG PRO 34 -9.423 -19.719 -17.689 214 HD2 PRO 34 1HD PRO 34 -11.348 -20.390 -15.428 215 HD3 PRO 34 2HD PRO 34 -9.550 -20.582 -15.490 216 H HIS 35 H HIS 35 -12.459 -17.982 -14.660 217 HA HIS 35 HA HIS 35 -13.505 -15.183 -14.902 218 HB2 HIS 35 1HB HIS 35 -14.976 -17.742 -14.137 219 HB3 HIS 35 2HB HIS 35 -15.691 -16.140 -14.233 220 HD2 HIS 35 HD2 HIS 35 -15.031 -19.149 -16.489 221 HE1 HIS 35 HE1 HIS 35 -16.077 -15.901 -19.043 222 H GLU 36 H GLU 36 -11.427 -16.497 -13.047 223 HA GLU 36 HA GLU 36 -12.109 -14.925 -10.727 224 HB2 GLU 36 1HB GLU 36 -13.666 -16.840 -10.339 225 HB3 GLU 36 2HB GLU 36 -12.307 -17.952 -10.418 226 HG2 GLU 36 1HG GLU 36 -11.314 -16.919 -8.437 227 HG3 GLU 36 2HG GLU 36 -12.629 -15.747 -8.371 228 H ARG 37 H ARG 37 -9.993 -14.373 -11.814 229 HA ARG 37 HA ARG 37 -7.764 -16.203 -11.477 230 HB2 ARG 37 1HB ARG 37 -7.899 -13.211 -12.005 231 HB3 ARG 37 2HB ARG 37 -6.403 -14.130 -11.972 232 HG2 ARG 37 1HG ARG 37 -7.140 -15.465 -13.876 233 HG3 ARG 37 2HG ARG 37 -8.698 -14.604 -13.890 234 HD2 ARG 37 1HD ARG 37 -6.025 -13.265 -14.196 235 HD3 ARG 37 2HD ARG 37 -7.043 -13.804 -15.552 236 HE ARG 37 HE ARG 37 -8.673 -12.232 -13.938 237 HH11 ARG 37 1HH1 ARG 37 -5.706 -11.825 -15.774 238 HH12 ARG 37 2HH1 ARG 37 -5.995 -10.131 -16.104 239 HH21 ARG 37 1HH2 ARG 37 -9.037 -10.033 -14.373 240 HH22 ARG 37 2HH2 ARG 37 -7.880 -9.116 -15.312 241 H LEU 38 H LEU 38 -6.166 -16.296 -10.012 242 HA LEU 38 HA LEU 38 -6.589 -14.682 -7.520 243 HB2 LEU 38 1HB LEU 38 -5.229 -17.387 -7.856 244 HB3 LEU 38 2HB LEU 38 -5.459 -16.521 -6.334 245 HG LEU 38 HG LEU 38 -7.690 -17.648 -8.064 246 HD11 LEU 38 1HD1 LEU 38 -7.908 -19.307 -6.269 247 HD12 LEU 38 2HD1 LEU 38 -6.313 -19.393 -7.053 248 HD13 LEU 38 3HD1 LEU 38 -6.481 -18.619 -5.459 249 HD21 LEU 38 1HD2 LEU 38 -9.096 -17.102 -6.106 250 HD22 LEU 38 2HD2 LEU 38 -7.686 -16.382 -5.293 251 HD23 LEU 38 3HD2 LEU 38 -8.334 -15.639 -6.774 252 H PHE 39 H PHE 39 -5.022 -13.479 -6.701 253 HA PHE 39 HA PHE 39 -2.499 -13.360 -8.326 254 HB2 PHE 39 1HB PHE 39 -4.090 -11.060 -7.112 255 HB3 PHE 39 2HB PHE 39 -2.552 -10.904 -7.946 256 HD1 PHE 39 HD1 PHE 39 -6.142 -11.475 -8.324 257 HD2 PHE 39 HD2 PHE 39 -2.401 -11.173 -10.364 258 HE1 PHE 39 HE1 PHE 39 -7.337 -11.229 -10.474 259 HE2 PHE 39 HE2 PHE 39 -3.592 -10.924 -12.516 260 HZ PHE 39 HZ PHE 39 -6.061 -10.954 -12.571 261 H THR 40 H THR 40 -0.599 -13.006 -7.340 262 HA THR 40 HA THR 40 -0.646 -12.734 -4.357 263 HB THR 40 HB THR 40 1.162 -14.596 -5.962 264 HG1 THR 40 HG1 THR 40 0.005 -16.206 -4.757 265 HG21 THR 40 1HG2 THR 40 1.982 -15.300 -3.748 266 HG22 THR 40 2HG2 THR 40 2.286 -13.567 -4.018 267 HG23 THR 40 3HG2 THR 40 0.943 -14.083 -2.972 268 H ILE 41 H ILE 41 0.529 -11.176 -3.575 269 HA ILE 41 HA ILE 41 2.727 -10.030 -5.260 270 HB ILE 41 HB ILE 41 0.440 -8.481 -3.943 271 HG12 ILE 41 1HG1 ILE 41 1.222 -8.714 -6.858 272 HG13 ILE 41 2HG1 ILE 41 -0.141 -9.525 -6.102 273 HG21 ILE 41 1HG2 ILE 41 1.575 -6.476 -4.811 274 HG22 ILE 41 2HG2 ILE 41 2.611 -7.348 -3.658 275 HG23 ILE 41 3HG2 ILE 41 2.913 -7.486 -5.405 276 HD11 ILE 41 1HD1 ILE 41 -0.859 -7.536 -7.301 277 HD12 ILE 41 2HD1 ILE 41 -1.147 -7.352 -5.554 278 HD13 ILE 41 3HD1 ILE 41 0.233 -6.530 -6.321 279 H ALA 42 H ALA 42 4.502 -9.561 -4.286 280 HA ALA 42 HA ALA 42 4.451 -9.672 -1.296 281 HB1 ALA 42 1HB ALA 42 6.749 -10.560 -1.433 282 HB2 ALA 42 2HB ALA 42 5.592 -11.609 -2.288 283 HB3 ALA 42 3HB ALA 42 6.655 -10.520 -3.209 284 H CYS 43 H CYS 43 5.649 -8.249 -0.112 285 HA CYS 43 HA CYS 43 6.728 -5.847 -1.624 286 HB2 CYS 43 1HB CYS 43 4.543 -5.363 -0.798 287 HB3 CYS 43 2HB CYS 43 5.039 -5.805 0.830 288 HG CYS 43 HG CYS 43 4.839 -3.254 0.634 289 H SER 44 H SER 44 8.704 -5.221 -1.014 290 HA SER 44 HA SER 44 9.909 -6.391 1.515 291 HB2 SER 44 1HB SER 44 10.835 -7.406 -0.389 292 HB3 SER 44 2HB SER 44 11.208 -5.843 -1.098 293 HG SER 44 HG SER 44 12.948 -6.746 0.002 294 H ILE 45 H ILE 45 10.531 -4.941 2.979 295 HA ILE 45 HA ILE 45 11.329 -2.196 2.085 296 HB ILE 45 HB ILE 45 9.470 -2.843 4.429 297 HG12 ILE 45 1HG1 ILE 45 8.864 -1.300 1.898 298 HG13 ILE 45 2HG1 ILE 45 8.397 -2.969 2.181 299 HG21 ILE 45 1HG2 ILE 45 9.373 -0.400 4.721 300 HG22 ILE 45 2HG2 ILE 45 11.037 -1.001 4.909 301 HG23 ILE 45 3HG2 ILE 45 10.549 -0.192 3.401 302 HD11 ILE 45 1HD1 ILE 45 6.549 -1.454 2.625 303 HD12 ILE 45 2HD1 ILE 45 7.055 -2.278 4.120 304 HD13 ILE 45 3HD1 ILE 45 7.527 -0.587 3.832 305 H LEU 46 H LEU 46 13.128 -1.492 2.831 306 HA LEU 46 HA LEU 46 15.099 -1.427 4.053 307 HB2 LEU 46 1HB LEU 46 13.496 -0.749 5.849 308 HB3 LEU 46 2HB LEU 46 13.294 -2.449 6.285 309 HG LEU 46 HG LEU 46 15.746 -2.525 6.854 310 HD11 LEU 46 1HD1 LEU 46 16.913 -0.384 7.143 311 HD12 LEU 46 2HD1 LEU 46 16.469 -0.667 5.443 312 HD13 LEU 46 3HD1 LEU 46 15.522 0.469 6.434 313 HD21 LEU 46 1HD2 LEU 46 15.456 -1.290 8.976 314 HD22 LEU 46 2HD2 LEU 46 14.044 -0.448 8.293 315 HD23 LEU 46 3HD2 LEU 46 13.987 -2.206 8.562 316 H ASN 47 H ASN 47 14.171 -3.915 6.249 317 HA ASN 47 HA ASN 47 15.925 -5.848 4.767 318 HB2 ASN 47 1HB ASN 47 15.896 -5.217 7.730 319 HB3 ASN 47 2HB ASN 47 16.696 -6.615 7.026 320 HD21 ASN 47 1HD2 ASN 47 18.968 -3.602 7.453 321 HD22 ASN 47 2HD2 ASN 47 17.768 -4.294 8.492 322 H TYR 48 H TYR 48 12.968 -5.501 4.908 323 HA TYR 48 HA TYR 48 12.327 -8.219 5.989 324 HB2 TYR 48 1HB TYR 48 10.620 -5.727 6.354 325 HB3 TYR 48 2HB TYR 48 10.211 -7.354 6.879 326 HD1 TYR 48 HD1 TYR 48 12.255 -4.388 7.541 327 HD2 TYR 48 HD2 TYR 48 11.312 -8.381 8.797 328 HE1 TYR 48 HE1 TYR 48 13.360 -3.967 9.711 329 HE2 TYR 48 HE2 TYR 48 12.416 -7.960 10.967 330 HH TYR 48 HH TYR 48 13.908 -4.812 11.692 331 H ARG 49 H ARG 49 10.363 -9.148 5.155 332 HA ARG 49 HA ARG 49 9.207 -8.014 2.715 333 HB2 ARG 49 1HB ARG 49 11.383 -9.022 1.921 334 HB3 ARG 49 2HB ARG 49 10.834 -10.578 2.525 335 HG2 ARG 49 1HG ARG 49 8.959 -10.556 0.955 336 HG3 ARG 49 2HG ARG 49 9.467 -8.956 0.363 337 HD2 ARG 49 1HD ARG 49 11.470 -9.821 -0.516 338 HD3 ARG 49 2HD ARG 49 11.240 -11.379 0.311 339 HE ARG 49 HE ARG 49 9.014 -11.115 -1.282 340 HH11 ARG 49 1HH1 ARG 49 12.484 -11.062 -1.827 341 HH12 ARG 49 2HH1 ARG 49 12.366 -11.709 -3.448 342 HH21 ARG 49 1HH2 ARG 49 8.874 -11.955 -3.387 343 HH22 ARG 49 2HH2 ARG 49 10.323 -12.215 -4.332 344 H GLU 50 H GLU 50 7.188 -8.577 2.549 345 HA GLU 50 HA GLU 50 6.361 -11.251 3.606 346 HB2 GLU 50 1HB GLU 50 4.927 -8.600 4.064 347 HB3 GLU 50 2HB GLU 50 4.263 -10.181 4.450 348 HG2 GLU 50 1HG GLU 50 6.810 -9.079 5.652 349 HG3 GLU 50 2HG GLU 50 5.214 -8.920 6.384 350 H MET 51 H MET 51 4.086 -11.785 2.892 351 HA MET 51 HA MET 51 3.651 -10.889 0.078 352 HB2 MET 51 1HB MET 51 5.181 -12.828 -0.030 353 HB3 MET 51 2HB MET 51 4.066 -13.776 0.942 354 HG2 MET 51 1HG MET 51 2.386 -13.686 -0.819 355 HG3 MET 51 2HG MET 51 3.413 -12.622 -1.784 356 HE1 MET 51 1HE MET 51 4.101 -17.118 -1.011 357 HE2 MET 51 2HE MET 51 4.061 -15.939 0.323 358 HE3 MET 51 3HE MET 51 2.604 -16.221 -0.661 359 H GLY 52 H GLY 52 1.624 -10.599 -0.410 360 HA2 GLY 52 1HA GLY 52 -0.419 -12.091 1.194 361 HA3 GLY 52 2HA GLY 52 -0.653 -10.420 0.633 362 H LYS 53 H LYS 53 -2.525 -12.325 0.025 363 HA LYS 53 HA LYS 53 -2.470 -12.319 -2.899 364 HB2 LYS 53 1HB LYS 53 -2.614 -14.720 -3.218 365 HB3 LYS 53 2HB LYS 53 -1.105 -14.344 -2.398 366 HG2 LYS 53 1HG LYS 53 -2.090 -15.029 -0.247 367 HG3 LYS 53 2HG LYS 53 -3.618 -15.392 -1.062 368 HD2 LYS 53 1HD LYS 53 -2.480 -17.082 -2.459 369 HD3 LYS 53 2HD LYS 53 -0.944 -16.711 -1.662 370 HE2 LYS 53 1HE LYS 53 -1.914 -17.404 0.512 371 HE3 LYS 53 2HE LYS 53 -3.436 -17.792 -0.294 372 HZ1 LYS 53 1HZ LYS 53 -2.084 -19.732 0.018 373 HZ2 LYS 53 2HZ LYS 53 -2.262 -19.432 -1.594 374 HZ3 LYS 53 3HZ LYS 53 -0.841 -19.070 -0.840 375 H GLY 54 H GLY 54 -4.437 -12.945 -3.863 376 HA2 GLY 54 1HA GLY 54 -6.742 -13.714 -2.350 377 HA3 GLY 54 2HA GLY 54 -6.699 -11.943 -2.513 378 H LYS 55 H LYS 55 -8.662 -12.119 -3.747 379 HA LYS 55 HA LYS 55 -8.505 -13.547 -6.343 380 HB2 LYS 55 1HB LYS 55 -10.769 -12.028 -4.988 381 HB3 LYS 55 2HB LYS 55 -10.901 -12.851 -6.536 382 HG2 LYS 55 1HG LYS 55 -10.409 -15.006 -5.436 383 HG3 LYS 55 2HG LYS 55 -10.286 -14.176 -3.879 384 HD2 LYS 55 1HD LYS 55 -12.637 -13.391 -4.137 385 HD3 LYS 55 2HD LYS 55 -12.751 -14.292 -5.656 386 HE2 LYS 55 1HE LYS 55 -12.266 -16.396 -4.433 387 HE3 LYS 55 2HE LYS 55 -12.184 -15.491 -2.919 388 HZ1 LYS 55 1HZ LYS 55 -14.323 -16.500 -3.229 389 HZ2 LYS 55 2HZ LYS 55 -14.476 -14.857 -3.241 390 HZ3 LYS 55 3HZ LYS 55 -14.553 -15.704 -4.655 391 H SER 56 H SER 56 -7.476 -10.638 -5.247 392 HA SER 56 HA SER 56 -7.452 -9.543 -8.049 393 HB2 SER 56 1HB SER 56 -8.251 -7.477 -7.538 394 HB3 SER 56 2HB SER 56 -9.442 -8.648 -6.994 395 HG SER 56 HG SER 56 -9.259 -7.360 -5.337 396 H LYS 57 H LYS 57 -5.814 -7.977 -8.357 397 HA LYS 57 HA LYS 57 -3.415 -8.242 -6.801 398 HB2 LYS 57 1HB LYS 57 -4.318 -6.119 -8.785 399 HB3 LYS 57 2HB LYS 57 -2.710 -6.170 -8.076 400 HG2 LYS 57 1HG LYS 57 -2.323 -8.385 -9.088 401 HG3 LYS 57 2HG LYS 57 -3.944 -8.341 -9.796 402 HD2 LYS 57 1HD LYS 57 -3.317 -6.253 -11.018 403 HD3 LYS 57 2HD LYS 57 -1.679 -6.393 -10.364 404 HE2 LYS 57 1HE LYS 57 -1.414 -8.583 -11.467 405 HE3 LYS 57 2HE LYS 57 -3.058 -8.474 -12.101 406 HZ1 LYS 57 1HZ LYS 57 -1.442 -7.804 -13.722 407 HZ2 LYS 57 2HZ LYS 57 -2.396 -6.518 -13.324 408 HZ3 LYS 57 3HZ LYS 57 -0.859 -6.621 -12.733 409 H LYS 58 H LYS 58 -6.124 -5.996 -6.630 410 HA LYS 58 HA LYS 58 -4.938 -4.132 -4.803 411 HB2 LYS 58 1HB LYS 58 -7.826 -4.976 -5.244 412 HB3 LYS 58 2HB LYS 58 -7.349 -3.671 -4.166 413 HG2 LYS 58 1HG LYS 58 -6.352 -2.456 -6.067 414 HG3 LYS 58 2HG LYS 58 -6.828 -3.770 -7.152 415 HD2 LYS 58 1HD LYS 58 -9.207 -3.393 -6.550 416 HD3 LYS 58 2HD LYS 58 -8.719 -2.061 -5.492 417 HE2 LYS 58 1HE LYS 58 -7.773 -0.857 -7.424 418 HE3 LYS 58 2HE LYS 58 -8.220 -2.192 -8.489 419 HZ1 LYS 58 1HZ LYS 58 -9.824 -0.428 -8.565 420 HZ2 LYS 58 2HZ LYS 58 -10.520 -1.786 -7.937 421 HZ3 LYS 58 3HZ LYS 58 -10.102 -0.537 -6.943 422 H ILE 59 H ILE 59 -6.875 -7.069 -4.211 423 HA ILE 59 HA ILE 59 -6.738 -6.910 -1.336 424 HB ILE 59 HB ILE 59 -7.075 -9.276 -3.243 425 HG12 ILE 59 1HG1 ILE 59 -9.136 -7.914 -1.500 426 HG13 ILE 59 2HG1 ILE 59 -8.853 -7.484 -3.180 427 HG21 ILE 59 1HG2 ILE 59 -7.819 -10.545 -1.269 428 HG22 ILE 59 2HG2 ILE 59 -6.125 -10.028 -1.096 429 HG23 ILE 59 3HG2 ILE 59 -7.413 -9.164 -0.223 430 HD11 ILE 59 1HD1 ILE 59 -10.736 -9.006 -2.970 431 HD12 ILE 59 2HD1 ILE 59 -9.409 -9.774 -3.874 432 HD13 ILE 59 3HD1 ILE 59 -9.697 -10.210 -2.173 433 H ALA 60 H ALA 60 -4.642 -8.549 -3.687 434 HA ALA 60 HA ALA 60 -2.934 -9.747 -1.756 435 HB1 ALA 60 1HB ALA 60 -1.291 -9.886 -3.593 436 HB2 ALA 60 2HB ALA 60 -2.916 -10.373 -4.132 437 HB3 ALA 60 3HB ALA 60 -2.281 -8.767 -4.558 438 H LYS 61 H LYS 61 -2.756 -6.572 -3.358 439 HA LYS 61 HA LYS 61 -0.293 -5.759 -2.118 440 HB2 LYS 61 1HB LYS 61 -2.627 -4.199 -3.281 441 HB3 LYS 61 2HB LYS 61 -1.186 -3.421 -2.639 442 HG2 LYS 61 1HG LYS 61 0.200 -4.626 -4.296 443 HG3 LYS 61 2HG LYS 61 -1.259 -5.385 -4.948 444 HD2 LYS 61 1HD LYS 61 -2.178 -3.125 -5.459 445 HD3 LYS 61 2HD LYS 61 -0.676 -2.401 -4.865 446 HE2 LYS 61 1HE LYS 61 0.601 -3.621 -6.594 447 HE3 LYS 61 2HE LYS 61 -0.891 -4.358 -7.183 448 HZ1 LYS 61 1HZ LYS 61 -0.270 -2.461 -8.488 449 HZ2 LYS 61 2HZ LYS 61 -1.697 -2.162 -7.718 450 HZ3 LYS 61 3HZ LYS 61 -0.303 -1.473 -7.168 451 H ARG 62 H ARG 62 -3.692 -5.345 -1.159 452 HA ARG 62 HA ARG 62 -3.165 -3.693 1.121 453 HB2 ARG 62 1HB ARG 62 -5.415 -5.615 0.441 454 HB3 ARG 62 2HB ARG 62 -5.397 -4.676 1.926 455 HG2 ARG 62 1HG ARG 62 -5.476 -2.602 0.689 456 HG3 ARG 62 2HG ARG 62 -5.314 -3.476 -0.853 457 HD2 ARG 62 1HD ARG 62 -7.422 -4.618 -0.408 458 HD3 ARG 62 2HD ARG 62 -7.587 -3.698 1.106 459 HE ARG 62 HE ARG 62 -7.205 -1.846 -0.964 460 HH11 ARG 62 1HH1 ARG 62 -9.575 -4.246 0.020 461 HH12 ARG 62 2HH1 ARG 62 -10.923 -3.391 -0.695 462 HH21 ARG 62 1HH2 ARG 62 -8.963 -0.746 -1.889 463 HH22 ARG 62 2HH2 ARG 62 -10.578 -1.410 -1.776 464 H LEU 63 H LEU 63 -3.446 -7.229 0.808 465 HA LEU 63 HA LEU 63 -3.100 -7.711 3.638 466 HB2 LEU 63 1HB LEU 63 -2.723 -9.472 1.184 467 HB3 LEU 63 2HB LEU 63 -2.578 -10.063 2.842 468 HG LEU 63 HG LEU 63 -5.103 -8.851 1.662 469 HD11 LEU 63 1HD1 LEU 63 -5.919 -11.166 1.600 470 HD12 LEU 63 2HD1 LEU 63 -4.504 -10.939 0.545 471 HD13 LEU 63 3HD1 LEU 63 -4.319 -11.744 2.122 472 HD21 LEU 63 1HD2 LEU 63 -6.139 -9.801 3.695 473 HD22 LEU 63 2HD2 LEU 63 -4.542 -10.361 4.248 474 HD23 LEU 63 3HD2 LEU 63 -4.876 -8.618 4.113 475 H ALA 64 H ALA 64 -0.861 -7.704 0.878 476 HA ALA 64 HA ALA 64 1.470 -8.429 2.335 477 HB1 ALA 64 1HB ALA 64 2.708 -7.316 0.514 478 HB2 ALA 64 2HB ALA 64 1.398 -8.340 -0.120 479 HB3 ALA 64 3HB ALA 64 1.196 -6.574 -0.057 480 H ALA 65 H ALA 65 0.020 -5.231 1.730 481 HA ALA 65 HA ALA 65 2.024 -3.743 3.124 482 HB1 ALA 65 1HB ALA 65 0.328 -1.954 3.212 483 HB2 ALA 65 2HB ALA 65 0.412 -2.693 1.596 484 HB3 ALA 65 3HB ALA 65 -0.919 -3.114 2.699 485 H HIS 66 H HIS 66 -1.046 -5.180 4.211 486 HA HIS 66 HA HIS 66 -0.978 -4.272 6.898 487 HB2 HIS 66 1HB HIS 66 -2.000 -6.895 5.728 488 HB3 HIS 66 2HB HIS 66 -2.287 -6.381 7.385 489 HD2 HIS 66 HD2 HIS 66 -2.839 -3.134 6.019 490 HE1 HIS 66 HE1 HIS 66 -6.400 -5.170 4.862 491 H ARG 67 H ARG 67 0.434 -7.235 5.496 492 HA ARG 67 HA ARG 67 1.527 -8.174 7.985 493 HB2 ARG 67 1HB ARG 67 2.265 -8.707 5.085 494 HB3 ARG 67 2HB ARG 67 3.050 -9.511 6.436 495 HG2 ARG 67 1HG ARG 67 0.861 -10.442 7.132 496 HG3 ARG 67 2HG ARG 67 0.117 -9.679 5.706 497 HD2 ARG 67 1HD ARG 67 0.581 -11.966 5.228 498 HD3 ARG 67 2HD ARG 67 1.685 -10.941 4.282 499 HE ARG 67 HE ARG 67 3.478 -11.748 5.494 500 HH11 ARG 67 1HH1 ARG 67 0.465 -12.824 6.946 501 HH12 ARG 67 2HH1 ARG 67 1.242 -13.985 7.999 502 HH21 ARG 67 1HH2 ARG 67 4.475 -13.258 6.866 503 HH22 ARG 67 2HH2 ARG 67 3.511 -14.231 7.955 504 H MET 68 H MET 68 2.900 -6.194 5.371 505 HA MET 68 HA MET 68 5.557 -6.102 6.485 506 HB2 MET 68 1HB MET 68 4.052 -4.363 4.512 507 HB3 MET 68 2HB MET 68 5.700 -4.000 5.006 508 HG2 MET 68 1HG MET 68 4.749 -6.512 3.603 509 HG3 MET 68 2HG MET 68 5.703 -5.200 2.905 510 HE1 MET 68 1HE MET 68 9.120 -5.556 4.785 511 HE2 MET 68 2HE MET 68 8.217 -4.690 3.517 512 HE3 MET 68 3HE MET 68 7.752 -4.506 5.226 513 H TRP 69 H TRP 69 2.727 -3.988 6.833 514 HA TRP 69 HA TRP 69 4.006 -1.966 8.399 515 HB2 TRP 69 1HB TRP 69 1.721 -1.771 7.381 516 HB3 TRP 69 2HB TRP 69 1.124 -2.949 8.541 517 HD1 TRP 69 HD1 TRP 69 2.372 0.687 8.332 518 HE1 TRP 69 HE1 TRP 69 1.617 1.959 10.453 519 HE3 TRP 69 HE3 TRP 69 0.481 -3.270 10.989 520 HZ2 TRP 69 HZ2 TRP 69 0.379 1.340 12.914 521 HZ3 TRP 69 HZ3 TRP 69 -0.473 -2.863 13.223 522 HH2 TRP 69 HH2 TRP 69 -0.529 -0.596 14.175 523 H MET 70 H MET 70 2.181 -4.856 9.443 524 HA MET 70 HA MET 70 2.674 -4.514 12.241 525 HB2 MET 70 1HB MET 70 2.148 -6.985 10.558 526 HB3 MET 70 2HB MET 70 2.269 -7.020 12.311 527 HG2 MET 70 1HG MET 70 0.378 -5.353 12.393 528 HG3 MET 70 2HG MET 70 0.202 -5.561 10.649 529 HE1 MET 70 1HE MET 70 -1.067 -9.164 10.230 530 HE2 MET 70 2HE MET 70 -0.883 -7.556 9.488 531 HE3 MET 70 3HE MET 70 0.558 -8.494 9.951 532 H ARG 71 H ARG 71 4.508 -6.276 9.751 533 HA ARG 71 HA ARG 71 6.500 -7.363 11.458 534 HB2 ARG 71 1HB ARG 71 6.246 -7.943 9.053 535 HB3 ARG 71 2HB ARG 71 6.786 -6.332 8.607 536 HG2 ARG 71 1HG ARG 71 8.596 -7.882 8.329 537 HG3 ARG 71 2HG ARG 71 8.977 -6.805 9.694 538 HD2 ARG 71 1HD ARG 71 9.567 -9.035 10.273 539 HD3 ARG 71 2HD ARG 71 8.144 -8.554 11.225 540 HE ARG 71 HE ARG 71 7.481 -9.937 8.769 541 HH11 ARG 71 1HH1 ARG 71 8.380 -10.325 12.143 542 HH12 ARG 71 2HH1 ARG 71 7.657 -11.912 12.282 543 HH21 ARG 71 1HH2 ARG 71 6.546 -11.997 8.963 544 HH22 ARG 71 2HH2 ARG 71 6.618 -12.859 10.483 545 H LEU 72 H LEU 72 6.433 -4.212 9.787 546 HA LEU 72 HA LEU 72 9.018 -3.430 10.873 547 HB2 LEU 72 1HB LEU 72 6.779 -1.818 9.582 548 HB3 LEU 72 2HB LEU 72 8.376 -1.177 9.980 549 HG LEU 72 HG LEU 72 7.878 -3.436 8.010 550 HD11 LEU 72 1HD1 LEU 72 8.317 -1.742 6.289 551 HD12 LEU 72 2HD1 LEU 72 6.867 -1.351 7.242 552 HD13 LEU 72 3HD1 LEU 72 8.392 -0.485 7.545 553 HD21 LEU 72 1HD2 LEU 72 10.220 -2.972 7.369 554 HD22 LEU 72 2HD2 LEU 72 10.323 -1.731 8.641 555 HD23 LEU 72 3HD2 LEU 72 10.106 -3.442 9.082 556 H GLN 73 H GLN 73 5.668 -3.017 11.849 557 HA GLN 73 HA GLN 73 6.165 -1.007 13.853 558 HB2 GLN 73 1HB GLN 73 3.899 -1.572 12.928 559 HB3 GLN 73 2HB GLN 73 3.974 -3.124 13.750 560 HG2 GLN 73 1HG GLN 73 2.626 -1.586 15.016 561 HG3 GLN 73 2HG GLN 73 4.122 -1.949 15.922 562 HE21 GLN 73 1HE2 GLN 73 4.630 1.438 16.451 563 HE22 GLN 73 2HE2 GLN 73 4.513 -0.167 17.091 564 H GLU 74 H GLU 74 6.180 -4.551 13.935 565 HA GLU 74 HA GLU 74 6.805 -4.542 16.823 566 HB2 GLU 74 1HB GLU 74 6.609 -6.788 14.772 567 HB3 GLU 74 2HB GLU 74 6.935 -7.029 16.483 568 HG2 GLU 74 1HG GLU 74 4.749 -6.025 17.035 569 HG3 GLU 74 2HG GLU 74 4.423 -5.810 15.317 Start of MODEL 6 1 H1 ILE 8 1H ILE 8 1.308 0.207 -4.170 2 H2 ILE 8 2H ILE 8 1.203 -0.197 -2.592 3 H3 ILE 8 3H ILE 8 1.039 1.362 -3.049 4 HA ILE 8 HA ILE 8 3.338 0.092 -2.272 5 HB ILE 8 HB ILE 8 3.327 0.971 -5.204 6 HG12 ILE 8 1HG1 ILE 8 2.325 -1.205 -5.039 7 HG13 ILE 8 2HG1 ILE 8 3.945 -1.362 -5.698 8 HG21 ILE 8 1HG2 ILE 8 5.690 0.283 -5.164 9 HG22 ILE 8 2HG2 ILE 8 5.384 1.586 -3.992 10 HG23 ILE 8 3HG2 ILE 8 5.556 -0.093 -3.430 11 HD11 ILE 8 1HD1 ILE 8 3.477 -3.126 -4.091 12 HD12 ILE 8 2HD1 ILE 8 4.785 -2.072 -3.501 13 HD13 ILE 8 3HD1 ILE 8 3.142 -1.914 -2.833 14 H GLY 9 H GLY 9 1.646 2.786 -3.706 15 HA2 GLY 9 1HA GLY 9 3.542 4.825 -3.277 16 HA3 GLY 9 2HA GLY 9 1.777 5.041 -3.211 17 H TRP 10 H TRP 10 1.223 3.336 -1.024 18 HA TRP 10 HA TRP 10 1.726 5.069 1.204 19 HB2 TRP 10 1HB TRP 10 -0.193 3.497 1.097 20 HB3 TRP 10 2HB TRP 10 0.912 2.132 1.149 21 HD1 TRP 10 HD1 TRP 10 -0.401 4.996 3.388 22 HE1 TRP 10 HE1 TRP 10 -0.054 4.341 5.865 23 HE3 TRP 10 HE3 TRP 10 2.268 0.673 2.692 24 HZ2 TRP 10 HZ2 TRP 10 1.189 2.256 7.306 25 HZ3 TRP 10 HZ3 TRP 10 3.008 -0.605 4.663 26 HH2 TRP 10 HH2 TRP 10 2.478 0.167 6.937 27 H LEU 11 H LEU 11 3.304 2.070 0.142 28 HA LEU 11 HA LEU 11 5.088 1.886 2.391 29 HB2 LEU 11 1HB LEU 11 5.307 0.888 -0.477 30 HB3 LEU 11 2HB LEU 11 6.464 0.481 0.795 31 HG LEU 11 HG LEU 11 3.508 -0.214 0.895 32 HD11 LEU 11 1HD1 LEU 11 4.236 -2.488 0.324 33 HD12 LEU 11 2HD1 LEU 11 4.606 -1.332 -0.977 34 HD13 LEU 11 3HD1 LEU 11 5.901 -1.900 0.104 35 HD21 LEU 11 1HD2 LEU 11 4.251 -1.716 2.713 36 HD22 LEU 11 2HD2 LEU 11 5.917 -1.117 2.527 37 HD23 LEU 11 3HD2 LEU 11 4.634 -0.018 3.088 38 H GLN 12 H GLN 12 5.378 3.474 -0.770 39 HA GLN 12 HA GLN 12 8.106 4.302 -0.432 40 HB2 GLN 12 1HB GLN 12 6.876 4.320 -2.614 41 HB3 GLN 12 2HB GLN 12 5.872 5.636 -2.021 42 HG2 GLN 12 1HG GLN 12 7.844 7.075 -1.822 43 HG3 GLN 12 2HG GLN 12 8.871 5.738 -2.412 44 HE21 GLN 12 1HE2 GLN 12 8.379 7.736 -5.382 45 HE22 GLN 12 2HE2 GLN 12 9.302 7.720 -3.916 46 H GLU 13 H GLU 13 5.035 5.955 0.301 47 HA GLU 13 HA GLU 13 6.242 8.349 1.326 48 HB2 GLU 13 1HB GLU 13 3.572 7.000 1.896 49 HB3 GLU 13 2HB GLU 13 4.022 8.564 2.560 50 HG2 GLU 13 1HG GLU 13 4.155 9.534 0.355 51 HG3 GLU 13 2HG GLU 13 3.913 7.960 -0.401 52 H MET 14 H MET 14 5.161 5.378 2.980 53 HA MET 14 HA MET 14 5.935 6.090 5.609 54 HB2 MET 14 1HB MET 14 4.678 4.049 5.101 55 HB3 MET 14 2HB MET 14 6.042 3.392 4.209 56 HG2 MET 14 1HG MET 14 7.376 3.406 6.322 57 HG3 MET 14 2HG MET 14 5.935 3.947 7.186 58 HE1 MET 14 1HE MET 14 6.383 -0.163 5.110 59 HE2 MET 14 2HE MET 14 6.298 1.364 4.197 60 HE3 MET 14 3HE MET 14 7.689 1.038 5.260 61 H CYS 15 H CYS 15 7.898 4.602 3.031 62 HA CYS 15 HA CYS 15 10.341 4.265 4.493 63 HB2 CYS 15 1HB CYS 15 9.825 4.688 1.595 64 HB3 CYS 15 2HB CYS 15 11.416 4.418 2.293 65 HG CYS 15 HG CYS 15 10.821 2.167 3.450 66 H MET 16 H MET 16 9.185 6.975 2.438 67 HA MET 16 HA MET 16 11.510 8.612 2.752 68 HB2 MET 16 1HB MET 16 8.619 9.277 2.112 69 HB3 MET 16 2HB MET 16 9.901 10.479 2.117 70 HG2 MET 16 1HG MET 16 11.104 9.046 0.401 71 HG3 MET 16 2HG MET 16 9.631 8.079 0.295 72 HE1 MET 16 1HE MET 16 7.024 10.525 -1.189 73 HE2 MET 16 2HE MET 16 7.415 8.833 -0.791 74 HE3 MET 16 3HE MET 16 7.255 10.040 0.508 75 H GLN 17 H GLN 17 8.523 8.398 4.653 76 HA GLN 17 HA GLN 17 9.188 10.642 6.360 77 HB2 GLN 17 1HB GLN 17 7.263 8.304 6.673 78 HB3 GLN 17 2HB GLN 17 7.415 9.589 7.862 79 HG2 GLN 17 1HG GLN 17 6.701 11.243 6.241 80 HG3 GLN 17 2HG GLN 17 6.649 9.995 4.964 81 HE21 GLN 17 1HE2 GLN 17 3.182 10.443 6.046 82 HE22 GLN 17 2HE2 GLN 17 4.400 11.338 5.200 83 H ARG 18 H ARG 18 9.822 7.177 6.495 84 HA ARG 18 HA ARG 18 10.963 7.461 9.225 85 HB2 ARG 18 1HB ARG 18 10.529 5.055 7.414 86 HB3 ARG 18 2HB ARG 18 11.275 4.970 9.002 87 HG2 ARG 18 1HG ARG 18 9.189 5.798 10.025 88 HG3 ARG 18 2HG ARG 18 8.436 5.845 8.412 89 HD2 ARG 18 1HD ARG 18 8.847 3.446 8.180 90 HD3 ARG 18 2HD ARG 18 9.526 3.421 9.824 91 HE ARG 18 HE ARG 18 6.719 3.630 9.059 92 HH11 ARG 18 1HH1 ARG 18 9.106 4.020 11.606 93 HH12 ARG 18 2HH1 ARG 18 7.933 3.893 12.897 94 HH21 ARG 18 1HH2 ARG 18 5.205 3.466 10.743 95 HH22 ARG 18 2HH2 ARG 18 5.724 3.579 12.410 96 H ARG 19 H ARG 19 12.029 8.076 6.203 97 HA ARG 19 HA ARG 19 14.152 8.290 5.283 98 HB2 ARG 19 1HB ARG 19 15.021 7.930 8.178 99 HB3 ARG 19 2HB ARG 19 16.052 8.490 6.870 100 HG2 ARG 19 1HG ARG 19 14.652 10.490 6.605 101 HG3 ARG 19 2HG ARG 19 13.598 9.921 7.922 102 HD2 ARG 19 1HD ARG 19 15.584 9.911 9.404 103 HD3 ARG 19 2HD ARG 19 16.504 10.672 8.086 104 HE ARG 19 HE ARG 19 14.180 12.195 8.501 105 HH11 ARG 19 1HH1 ARG 19 17.125 11.332 10.210 106 HH12 ARG 19 2HH1 ARG 19 17.172 12.816 11.135 107 HH21 ARG 19 1HH2 ARG 19 14.252 14.117 9.706 108 HH22 ARG 19 2HH2 ARG 19 15.546 14.394 10.850 109 H TRP 20 H TRP 20 12.935 5.726 5.272 110 HA TRP 20 HA TRP 20 15.264 3.892 5.632 111 HB2 TRP 20 1HB TRP 20 12.298 3.423 5.143 112 HB3 TRP 20 2HB TRP 20 13.492 2.137 5.046 113 HD1 TRP 20 HD1 TRP 20 14.871 4.028 7.741 114 HE1 TRP 20 HE1 TRP 20 14.053 3.233 10.062 115 HE3 TRP 20 HE3 TRP 20 10.802 1.287 6.246 116 HZ2 TRP 20 HZ2 TRP 20 11.952 1.655 11.094 117 HZ3 TRP 20 HZ3 TRP 20 9.430 0.158 7.951 118 HH2 TRP 20 HH2 TRP 20 9.989 0.338 10.339 119 HA PRO 21 HA PRO 21 16.296 3.469 1.397 120 HB2 PRO 21 1HB PRO 21 15.722 0.502 1.784 121 HB3 PRO 21 2HB PRO 21 17.179 1.261 1.130 122 HG2 PRO 21 1HG PRO 21 17.271 0.283 3.603 123 HG3 PRO 21 2HG PRO 21 18.007 1.856 3.282 124 HD2 PRO 21 1HD PRO 21 15.306 1.223 4.533 125 HD3 PRO 21 2HD PRO 21 16.526 2.465 5.023 126 HA PRO 22 HA PRO 22 12.657 3.480 -0.983 127 HB2 PRO 22 1HB PRO 22 14.370 1.943 -2.984 128 HB3 PRO 22 2HB PRO 22 13.399 3.395 -3.260 129 HG2 PRO 22 1HG PRO 22 16.040 3.663 -3.087 130 HG3 PRO 22 2HG PRO 22 15.010 4.835 -2.260 131 HD2 PRO 22 1HD PRO 22 16.502 2.446 -1.113 132 HD3 PRO 22 2HD PRO 22 16.305 4.107 -0.423 133 HA PRO 23 HA PRO 23 10.964 -0.455 -0.267 134 HB2 PRO 23 1HB PRO 23 8.513 -0.055 -1.414 135 HB3 PRO 23 2HB PRO 23 8.955 0.836 0.048 136 HG2 PRO 23 1HG PRO 23 9.094 1.749 -2.859 137 HG3 PRO 23 2HG PRO 23 8.392 2.600 -1.480 138 HD2 PRO 23 1HD PRO 23 10.912 3.158 -2.348 139 HD3 PRO 23 2HD PRO 23 10.490 3.206 -0.589 140 H SER 24 H SER 24 10.639 -2.381 -1.175 141 HA SER 24 HA SER 24 10.778 -2.536 -4.206 142 HB2 SER 24 1HB SER 24 11.969 -4.402 -2.225 143 HB3 SER 24 2HB SER 24 11.874 -4.627 -3.965 144 HG SER 24 HG SER 24 13.825 -3.727 -3.301 145 H TYR 25 H TYR 25 9.602 -4.244 -5.152 146 HA TYR 25 HA TYR 25 7.785 -5.889 -3.549 147 HB2 TYR 25 1HB TYR 25 5.711 -4.978 -4.394 148 HB3 TYR 25 2HB TYR 25 6.594 -3.694 -3.579 149 HD1 TYR 25 HD1 TYR 25 5.214 -4.873 -6.722 150 HD2 TYR 25 HD2 TYR 25 7.756 -1.936 -4.899 151 HE1 TYR 25 HE1 TYR 25 5.040 -3.466 -8.746 152 HE2 TYR 25 HE2 TYR 25 7.582 -0.529 -6.924 153 HH TYR 25 HH TYR 25 5.648 -1.566 -9.724 154 H GLU 26 H GLU 26 6.287 -7.155 -4.965 155 HA GLU 26 HA GLU 26 7.153 -7.446 -7.770 156 HB2 GLU 26 1HB GLU 26 8.804 -8.832 -6.504 157 HB3 GLU 26 2HB GLU 26 7.479 -9.723 -5.768 158 HG2 GLU 26 1HG GLU 26 6.789 -10.554 -7.963 159 HG3 GLU 26 2HG GLU 26 8.069 -9.620 -8.735 160 H THR 27 H THR 27 5.643 -8.233 -9.073 161 HA THR 27 HA THR 27 3.042 -8.939 -7.758 162 HB THR 27 HB THR 27 3.580 -7.706 -10.497 163 HG1 THR 27 HG1 THR 27 2.514 -5.902 -9.501 164 HG21 THR 27 1HG2 THR 27 1.129 -7.502 -10.627 165 HG22 THR 27 2HG2 THR 27 1.619 -9.208 -10.493 166 HG23 THR 27 3HG2 THR 27 0.970 -8.354 -9.074 167 H GLU 28 H GLU 28 2.434 -10.935 -7.833 168 HA GLU 28 HA GLU 28 3.200 -12.553 -10.245 169 HB2 GLU 28 1HB GLU 28 4.286 -13.322 -8.111 170 HB3 GLU 28 2HB GLU 28 2.691 -13.540 -7.406 171 HG2 GLU 28 1HG GLU 28 2.157 -15.236 -9.091 172 HG3 GLU 28 2HG GLU 28 3.733 -14.999 -9.844 173 H THR 29 H THR 29 1.576 -12.792 -11.556 174 HA THR 29 HA THR 29 -1.184 -12.656 -10.409 175 HB THR 29 HB THR 29 -1.913 -11.969 -12.628 176 HG1 THR 29 HG1 THR 29 -0.326 -11.773 -14.309 177 HG21 THR 29 1HG2 THR 29 -0.655 -9.868 -12.891 178 HG22 THR 29 2HG2 THR 29 -0.978 -10.205 -11.173 179 HG23 THR 29 3HG2 THR 29 0.639 -10.507 -11.850 180 H GLU 30 H GLU 30 -2.869 -13.879 -11.563 181 HA GLU 30 HA GLU 30 -3.760 -15.898 -12.294 182 HB2 GLU 30 1HB GLU 30 -1.095 -16.088 -13.764 183 HB3 GLU 30 2HB GLU 30 -2.512 -17.076 -14.090 184 HG2 GLU 30 1HG GLU 30 -3.769 -15.076 -14.758 185 HG3 GLU 30 2HG GLU 30 -2.365 -14.070 -14.406 186 H VAL 31 H VAL 31 -2.931 -16.077 -9.788 187 HA VAL 31 HA VAL 31 -1.776 -18.863 -9.700 188 HB VAL 31 HB VAL 31 -0.976 -18.320 -7.434 189 HG11 VAL 31 1HG1 VAL 31 0.816 -16.752 -7.995 190 HG12 VAL 31 2HG1 VAL 31 0.556 -17.953 -9.281 191 HG13 VAL 31 3HG1 VAL 31 -0.052 -16.292 -9.479 192 HG21 VAL 31 1HG2 VAL 31 -1.087 -15.995 -6.594 193 HG22 VAL 31 2HG2 VAL 31 -2.017 -15.520 -8.035 194 HG23 VAL 31 3HG2 VAL 31 -2.715 -16.661 -6.861 195 H GLY 32 H GLY 32 -2.340 -19.700 -7.315 196 HA2 GLY 32 1HA GLY 32 -4.087 -20.234 -5.813 197 HA3 GLY 32 2HA GLY 32 -5.210 -19.248 -6.779 198 H LEU 33 H LEU 33 -6.698 -20.344 -7.855 199 HA LEU 33 HA LEU 33 -6.123 -23.207 -8.536 200 HB2 LEU 33 1HB LEU 33 -8.803 -21.864 -7.996 201 HB3 LEU 33 2HB LEU 33 -8.544 -23.577 -8.340 202 HG LEU 33 HG LEU 33 -7.552 -22.117 -5.865 203 HD11 LEU 33 1HD1 LEU 33 -9.302 -23.395 -4.712 204 HD12 LEU 33 2HD1 LEU 33 -9.986 -22.298 -5.934 205 HD13 LEU 33 3HD1 LEU 33 -9.860 -24.041 -6.273 206 HD21 LEU 33 1HD2 LEU 33 -7.032 -24.401 -5.077 207 HD22 LEU 33 2HD2 LEU 33 -7.557 -25.063 -6.644 208 HD23 LEU 33 3HD2 LEU 33 -6.123 -24.013 -6.558 209 HA PRO 34 HA PRO 34 -6.711 -22.569 -12.811 210 HB2 PRO 34 1HB PRO 34 -8.802 -24.777 -12.615 211 HB3 PRO 34 2HB PRO 34 -7.416 -24.673 -13.708 212 HG2 PRO 34 1HG PRO 34 -7.267 -26.351 -11.651 213 HG3 PRO 34 2HG PRO 34 -5.863 -25.350 -12.033 214 HD2 PRO 34 1HD PRO 34 -7.973 -24.951 -9.875 215 HD3 PRO 34 2HD PRO 34 -6.179 -24.737 -9.770 216 H HIS 35 H HIS 35 -9.546 -22.844 -10.742 217 HA HIS 35 HA HIS 35 -11.097 -21.274 -12.760 218 HB2 HIS 35 1HB HIS 35 -12.026 -22.824 -10.303 219 HB3 HIS 35 2HB HIS 35 -13.077 -21.934 -11.395 220 HD2 HIS 35 HD2 HIS 35 -11.677 -25.439 -11.005 221 HE1 HIS 35 HE1 HIS 35 -13.022 -25.130 -15.037 222 H GLU 36 H GLU 36 -9.782 -21.181 -9.519 223 HA GLU 36 HA GLU 36 -11.035 -18.500 -9.095 224 HB2 GLU 36 1HB GLU 36 -11.158 -20.308 -7.295 225 HB3 GLU 36 2HB GLU 36 -9.413 -20.173 -7.137 226 HG2 GLU 36 1HG GLU 36 -10.541 -18.897 -5.416 227 HG3 GLU 36 2HG GLU 36 -9.622 -17.833 -6.478 228 H ARG 37 H ARG 37 -9.847 -17.251 -10.479 229 HA ARG 37 HA ARG 37 -6.937 -17.287 -10.466 230 HB2 ARG 37 1HB ARG 37 -8.300 -16.528 -12.419 231 HB3 ARG 37 2HB ARG 37 -8.875 -15.165 -11.471 232 HG2 ARG 37 1HG ARG 37 -6.626 -14.251 -11.339 233 HG3 ARG 37 2HG ARG 37 -5.979 -15.668 -12.202 234 HD2 ARG 37 1HD ARG 37 -7.336 -15.105 -14.136 235 HD3 ARG 37 2HD ARG 37 -7.976 -13.687 -13.274 236 HE ARG 37 HE ARG 37 -5.137 -13.600 -13.280 237 HH11 ARG 37 1HH1 ARG 37 -7.887 -13.232 -15.435 238 HH12 ARG 37 2HH1 ARG 37 -7.055 -12.134 -16.513 239 HH21 ARG 37 1HH2 ARG 37 -4.068 -12.174 -14.686 240 HH22 ARG 37 2HH2 ARG 37 -4.893 -11.534 -16.090 241 H LEU 38 H LEU 38 -5.961 -16.904 -8.605 242 HA LEU 38 HA LEU 38 -6.728 -14.432 -7.111 243 HB2 LEU 38 1HB LEU 38 -4.854 -16.698 -6.319 244 HB3 LEU 38 2HB LEU 38 -5.365 -15.356 -5.291 245 HG LEU 38 HG LEU 38 -7.180 -17.546 -6.362 246 HD11 LEU 38 1HD1 LEU 38 -7.217 -18.305 -4.027 247 HD12 LEU 38 2HD1 LEU 38 -5.576 -18.364 -4.712 248 HD13 LEU 38 3HD1 LEU 38 -6.031 -17.050 -3.601 249 HD21 LEU 38 1HD2 LEU 38 -8.830 -16.550 -4.815 250 HD22 LEU 38 2HD2 LEU 38 -7.667 -15.269 -4.398 251 HD23 LEU 38 3HD2 LEU 38 -8.320 -15.374 -6.050 252 H PHE 39 H PHE 39 -4.931 -13.196 -6.132 253 HA PHE 39 HA PHE 39 -2.542 -13.105 -7.939 254 HB2 PHE 39 1HB PHE 39 -4.105 -10.708 -6.888 255 HB3 PHE 39 2HB PHE 39 -2.623 -10.635 -7.827 256 HD1 PHE 39 HD1 PHE 39 -6.223 -11.312 -7.924 257 HD2 PHE 39 HD2 PHE 39 -2.618 -11.092 -10.207 258 HE1 PHE 39 HE1 PHE 39 -7.548 -11.292 -10.011 259 HE2 PHE 39 HE2 PHE 39 -3.941 -11.070 -12.296 260 HZ PHE 39 HZ PHE 39 -6.407 -11.172 -12.197 261 H THR 40 H THR 40 -0.622 -12.718 -7.043 262 HA THR 40 HA THR 40 -0.601 -12.416 -4.056 263 HB THR 40 HB THR 40 1.295 -14.045 -5.806 264 HG1 THR 40 HG1 THR 40 0.359 -15.786 -4.591 265 HG21 THR 40 1HG2 THR 40 2.303 -14.730 -3.665 266 HG22 THR 40 2HG2 THR 40 2.433 -12.970 -3.895 267 HG23 THR 40 3HG2 THR 40 1.206 -13.635 -2.793 268 H ILE 41 H ILE 41 0.279 -10.667 -3.331 269 HA ILE 41 HA ILE 41 2.386 -9.322 -5.008 270 HB ILE 41 HB ILE 41 0.446 -8.101 -2.979 271 HG12 ILE 41 1HG1 ILE 41 -0.669 -8.774 -5.063 272 HG13 ILE 41 2HG1 ILE 41 -0.643 -7.032 -4.840 273 HG21 ILE 41 1HG2 ILE 41 1.372 -5.953 -3.746 274 HG22 ILE 41 2HG2 ILE 41 2.640 -6.978 -3.037 275 HG23 ILE 41 3HG2 ILE 41 2.512 -6.817 -4.804 276 HD11 ILE 41 1HD1 ILE 41 -0.187 -7.628 -7.153 277 HD12 ILE 41 2HD1 ILE 41 1.233 -6.846 -6.416 278 HD13 ILE 41 3HD1 ILE 41 1.205 -8.611 -6.643 279 H ALA 42 H ALA 42 4.330 -9.275 -4.329 280 HA ALA 42 HA ALA 42 4.797 -9.748 -1.418 281 HB1 ALA 42 1HB ALA 42 7.082 -10.396 -2.086 282 HB2 ALA 42 2HB ALA 42 5.855 -11.384 -2.915 283 HB3 ALA 42 3HB ALA 42 6.675 -10.068 -3.786 284 H CYS 43 H CYS 43 5.975 -8.396 -0.183 285 HA CYS 43 HA CYS 43 6.992 -5.837 -1.459 286 HB2 CYS 43 1HB CYS 43 5.444 -6.047 1.078 287 HB3 CYS 43 2HB CYS 43 6.261 -4.622 0.452 288 HG CYS 43 HG CYS 43 4.934 -4.513 -1.781 289 H SER 44 H SER 44 8.789 -4.928 -0.471 290 HA SER 44 HA SER 44 10.099 -6.425 1.807 291 HB2 SER 44 1HB SER 44 11.016 -7.374 -0.136 292 HB3 SER 44 2HB SER 44 11.411 -5.787 -0.779 293 HG SER 44 HG SER 44 13.137 -6.756 0.287 294 H ILE 45 H ILE 45 10.526 -4.986 3.355 295 HA ILE 45 HA ILE 45 11.278 -2.185 2.580 296 HB ILE 45 HB ILE 45 9.322 -3.016 4.784 297 HG12 ILE 45 1HG1 ILE 45 8.364 -3.108 2.505 298 HG13 ILE 45 2HG1 ILE 45 7.612 -1.901 3.537 299 HG21 ILE 45 1HG2 ILE 45 9.085 -0.596 5.169 300 HG22 ILE 45 2HG2 ILE 45 10.762 -1.125 5.438 301 HG23 ILE 45 3HG2 ILE 45 10.328 -0.274 3.937 302 HD11 ILE 45 1HD1 ILE 45 7.940 -1.048 1.284 303 HD12 ILE 45 2HD1 ILE 45 8.927 -0.133 2.449 304 HD13 ILE 45 3HD1 ILE 45 9.688 -1.356 1.403 305 H LEU 46 H LEU 46 12.994 -1.412 3.442 306 HA LEU 46 HA LEU 46 14.891 -1.284 4.774 307 HB2 LEU 46 1HB LEU 46 13.126 -0.699 6.463 308 HB3 LEU 46 2HB LEU 46 13.017 -2.407 6.898 309 HG LEU 46 HG LEU 46 15.436 -2.311 7.598 310 HD11 LEU 46 1HD1 LEU 46 16.429 -0.093 7.945 311 HD12 LEU 46 2HD1 LEU 46 16.100 -0.404 6.224 312 HD13 LEU 46 3HD1 LEU 46 15.022 0.660 7.158 313 HD21 LEU 46 1HD2 LEU 46 14.942 -1.103 9.697 314 HD22 LEU 46 2HD2 LEU 46 13.513 -0.363 8.936 315 HD23 LEU 46 3HD2 LEU 46 13.567 -2.122 9.206 316 H ASN 47 H ASN 47 13.966 -3.802 6.923 317 HA ASN 47 HA ASN 47 15.888 -5.652 5.546 318 HB2 ASN 47 1HB ASN 47 15.621 -5.052 8.504 319 HB3 ASN 47 2HB ASN 47 16.538 -6.401 7.846 320 HD21 ASN 47 1HD2 ASN 47 18.617 -3.280 8.455 321 HD22 ASN 47 2HD2 ASN 47 17.383 -4.042 9.402 322 H TYR 48 H TYR 48 12.923 -5.450 5.462 323 HA TYR 48 HA TYR 48 12.329 -8.194 6.509 324 HB2 TYR 48 1HB TYR 48 10.529 -5.747 6.700 325 HB3 TYR 48 2HB TYR 48 10.053 -7.390 7.103 326 HD1 TYR 48 HD1 TYR 48 12.176 -4.537 8.089 327 HD2 TYR 48 HD2 TYR 48 10.716 -8.427 9.158 328 HE1 TYR 48 HE1 TYR 48 12.990 -4.208 10.399 329 HE2 TYR 48 HE2 TYR 48 11.530 -8.098 11.469 330 HH TYR 48 HH TYR 48 13.172 -5.092 12.429 331 H ARG 49 H ARG 49 10.556 -9.270 5.492 332 HA ARG 49 HA ARG 49 9.605 -8.211 2.914 333 HB2 ARG 49 1HB ARG 49 11.872 -9.237 2.423 334 HB3 ARG 49 2HB ARG 49 11.243 -10.774 2.996 335 HG2 ARG 49 1HG ARG 49 9.586 -10.805 1.210 336 HG3 ARG 49 2HG ARG 49 10.132 -9.205 0.655 337 HD2 ARG 49 1HD ARG 49 12.272 -10.065 0.083 338 HD3 ARG 49 2HD ARG 49 11.889 -11.639 0.819 339 HE ARG 49 HE ARG 49 9.925 -11.295 -1.061 340 HH11 ARG 49 1HH1 ARG 49 13.437 -11.231 -1.129 341 HH12 ARG 49 2HH1 ARG 49 13.540 -11.810 -2.777 342 HH21 ARG 49 1HH2 ARG 49 10.072 -12.045 -3.199 343 HH22 ARG 49 2HH2 ARG 49 11.636 -12.270 -3.949 344 H GLU 50 H GLU 50 7.673 -8.919 2.402 345 HA GLU 50 HA GLU 50 6.657 -11.508 3.292 346 HB2 GLU 50 1HB GLU 50 6.512 -10.054 5.381 347 HB3 GLU 50 2HB GLU 50 5.406 -9.009 4.500 348 HG2 GLU 50 1HG GLU 50 4.243 -10.588 5.969 349 HG3 GLU 50 2HG GLU 50 3.797 -10.795 4.277 350 H MET 51 H MET 51 4.524 -11.962 2.565 351 HA MET 51 HA MET 51 3.614 -10.163 0.356 352 HB2 MET 51 1HB MET 51 3.493 -12.024 -1.186 353 HB3 MET 51 2HB MET 51 5.143 -11.884 -0.596 354 HG2 MET 51 1HG MET 51 4.696 -13.734 1.008 355 HG3 MET 51 2HG MET 51 3.075 -13.899 0.329 356 HE1 MET 51 1HE MET 51 7.025 -14.870 -1.865 357 HE2 MET 51 2HE MET 51 6.616 -13.216 -1.348 358 HE3 MET 51 3HE MET 51 6.883 -14.488 -0.132 359 H GLY 52 H GLY 52 1.495 -10.602 -0.438 360 HA2 GLY 52 1HA GLY 52 -0.190 -12.291 1.337 361 HA3 GLY 52 2HA GLY 52 -0.609 -10.573 1.144 362 H LYS 53 H LYS 53 -2.089 -13.038 0.394 363 HA LYS 53 HA LYS 53 -2.282 -12.568 -2.566 364 HB2 LYS 53 1HB LYS 53 -1.385 -14.798 -2.154 365 HB3 LYS 53 2HB LYS 53 -2.649 -15.139 -0.980 366 HG2 LYS 53 1HG LYS 53 -4.333 -15.222 -2.677 367 HG3 LYS 53 2HG LYS 53 -3.233 -14.559 -3.893 368 HD2 LYS 53 1HD LYS 53 -3.343 -16.913 -4.288 369 HD3 LYS 53 2HD LYS 53 -1.769 -16.605 -3.540 370 HE2 LYS 53 1HE LYS 53 -2.647 -17.306 -1.353 371 HE3 LYS 53 2HE LYS 53 -4.247 -17.559 -2.056 372 HZ1 LYS 53 1HZ LYS 53 -3.033 -19.603 -1.869 373 HZ2 LYS 53 2HZ LYS 53 -3.298 -19.258 -3.460 374 HZ3 LYS 53 3HZ LYS 53 -1.803 -19.023 -2.802 375 H GLY 54 H GLY 54 -4.201 -12.224 -3.466 376 HA2 GLY 54 1HA GLY 54 -6.609 -12.378 -1.724 377 HA3 GLY 54 2HA GLY 54 -6.172 -10.818 -2.459 378 H LYS 55 H LYS 55 -8.546 -11.461 -3.173 379 HA LYS 55 HA LYS 55 -8.651 -13.302 -5.461 380 HB2 LYS 55 1HB LYS 55 -10.684 -11.369 -4.281 381 HB3 LYS 55 2HB LYS 55 -11.009 -12.433 -5.642 382 HG2 LYS 55 1HG LYS 55 -10.586 -14.400 -4.215 383 HG3 LYS 55 2HG LYS 55 -10.253 -13.330 -2.845 384 HD2 LYS 55 1HD LYS 55 -12.540 -12.416 -2.986 385 HD3 LYS 55 2HD LYS 55 -12.877 -13.455 -4.379 386 HE2 LYS 55 1HE LYS 55 -12.467 -15.458 -2.971 387 HE3 LYS 55 2HE LYS 55 -12.166 -14.411 -1.581 388 HZ1 LYS 55 1HZ LYS 55 -14.405 -15.232 -1.598 389 HZ2 LYS 55 2HZ LYS 55 -14.412 -13.593 -1.784 390 HZ3 LYS 55 3HZ LYS 55 -14.694 -14.571 -3.081 391 H SER 56 H SER 56 -8.010 -9.947 -4.948 392 HA SER 56 HA SER 56 -7.836 -9.571 -7.952 393 HB2 SER 56 1HB SER 56 -8.677 -7.465 -7.869 394 HB3 SER 56 2HB SER 56 -9.830 -8.515 -7.060 395 HG SER 56 HG SER 56 -9.526 -6.686 -5.877 396 H LYS 57 H LYS 57 -6.372 -7.804 -8.524 397 HA LYS 57 HA LYS 57 -3.835 -7.903 -7.208 398 HB2 LYS 57 1HB LYS 57 -5.027 -5.887 -9.149 399 HB3 LYS 57 2HB LYS 57 -3.358 -5.834 -8.599 400 HG2 LYS 57 1HG LYS 57 -2.953 -8.059 -9.577 401 HG3 LYS 57 2HG LYS 57 -4.635 -8.124 -10.122 402 HD2 LYS 57 1HD LYS 57 -4.257 -6.078 -11.483 403 HD3 LYS 57 2HD LYS 57 -2.566 -6.059 -10.963 404 HE2 LYS 57 1HE LYS 57 -2.208 -8.267 -11.997 405 HE3 LYS 57 2HE LYS 57 -3.903 -8.324 -12.489 406 HZ1 LYS 57 1HZ LYS 57 -2.491 -7.604 -14.271 407 HZ2 LYS 57 2HZ LYS 57 -3.514 -6.383 -13.845 408 HZ3 LYS 57 3HZ LYS 57 -1.931 -6.330 -13.386 409 H LYS 58 H LYS 58 -6.490 -5.549 -6.991 410 HA LYS 58 HA LYS 58 -5.146 -3.717 -5.247 411 HB2 LYS 58 1HB LYS 58 -7.257 -3.195 -6.451 412 HB3 LYS 58 2HB LYS 58 -8.114 -4.364 -5.455 413 HG2 LYS 58 1HG LYS 58 -7.671 -3.035 -3.452 414 HG3 LYS 58 2HG LYS 58 -6.718 -1.886 -4.402 415 HD2 LYS 58 1HD LYS 58 -8.707 -1.325 -5.745 416 HD3 LYS 58 2HD LYS 58 -9.665 -2.501 -4.834 417 HE2 LYS 58 1HE LYS 58 -9.240 -1.228 -2.752 418 HE3 LYS 58 2HE LYS 58 -8.297 -0.049 -3.667 419 HZ1 LYS 58 1HZ LYS 58 -10.537 0.692 -3.319 420 HZ2 LYS 58 2HZ LYS 58 -10.271 0.463 -4.931 421 HZ3 LYS 58 3HZ LYS 58 -11.153 -0.637 -4.075 422 H ILE 59 H ILE 59 -7.321 -6.450 -4.500 423 HA ILE 59 HA ILE 59 -7.151 -6.168 -1.645 424 HB ILE 59 HB ILE 59 -7.670 -8.603 -3.421 425 HG12 ILE 59 1HG1 ILE 59 -9.624 -6.971 -1.791 426 HG13 ILE 59 2HG1 ILE 59 -9.297 -6.678 -3.492 427 HG21 ILE 59 1HG2 ILE 59 -8.531 -9.688 -1.386 428 HG22 ILE 59 2HG2 ILE 59 -6.803 -9.301 -1.221 429 HG23 ILE 59 3HG2 ILE 59 -8.023 -8.285 -0.417 430 HD11 ILE 59 1HD1 ILE 59 -11.301 -8.024 -3.203 431 HD12 ILE 59 2HD1 ILE 59 -10.036 -8.957 -4.039 432 HD13 ILE 59 3HD1 ILE 59 -10.369 -9.253 -2.316 433 H ALA 60 H ALA 60 -5.186 -8.080 -3.900 434 HA ALA 60 HA ALA 60 -3.614 -9.317 -1.859 435 HB1 ALA 60 1HB ALA 60 -2.019 -9.800 -3.680 436 HB2 ALA 60 2HB ALA 60 -3.694 -10.153 -4.168 437 HB3 ALA 60 3HB ALA 60 -2.894 -8.671 -4.741 438 H LYS 61 H LYS 61 -3.171 -6.306 -3.694 439 HA LYS 61 HA LYS 61 -0.600 -5.645 -2.600 440 HB2 LYS 61 1HB LYS 61 -2.845 -3.961 -3.762 441 HB3 LYS 61 2HB LYS 61 -1.330 -3.262 -3.205 442 HG2 LYS 61 1HG LYS 61 -0.084 -4.610 -4.839 443 HG3 LYS 61 2HG LYS 61 -1.594 -5.355 -5.385 444 HD2 LYS 61 1HD LYS 61 -2.448 -3.104 -6.024 445 HD3 LYS 61 2HD LYS 61 -0.903 -2.396 -5.530 446 HE2 LYS 61 1HE LYS 61 0.272 -3.775 -7.210 447 HE3 LYS 61 2HE LYS 61 -1.263 -4.500 -7.698 448 HZ1 LYS 61 1HZ LYS 61 -0.625 -2.721 -9.153 449 HZ2 LYS 61 2HZ LYS 61 -2.015 -2.320 -8.360 450 HZ3 LYS 61 3HZ LYS 61 -0.581 -1.643 -7.905 451 H ARG 62 H ARG 62 -3.900 -4.896 -1.515 452 HA ARG 62 HA ARG 62 -3.102 -3.257 0.709 453 HB2 ARG 62 1HB ARG 62 -5.578 -4.942 0.190 454 HB3 ARG 62 2HB ARG 62 -5.391 -3.921 1.608 455 HG2 ARG 62 1HG ARG 62 -5.293 -1.931 0.236 456 HG3 ARG 62 2HG ARG 62 -5.308 -2.915 -1.248 457 HD2 ARG 62 1HD ARG 62 -7.490 -2.051 -0.860 458 HD3 ARG 62 2HD ARG 62 -7.506 -3.804 -0.563 459 HE ARG 62 HE ARG 62 -7.028 -2.288 1.838 460 HH11 ARG 62 1HH1 ARG 62 -9.525 -3.412 -0.362 461 HH12 ARG 62 2HH1 ARG 62 -10.786 -3.373 0.849 462 HH21 ARG 62 1HH2 ARG 62 -8.674 -2.241 3.402 463 HH22 ARG 62 2HH2 ARG 62 -10.306 -2.710 2.980 464 H LEU 63 H LEU 63 -3.768 -6.743 0.445 465 HA LEU 63 HA LEU 63 -3.309 -7.284 3.240 466 HB2 LEU 63 1HB LEU 63 -3.139 -9.034 0.755 467 HB3 LEU 63 2HB LEU 63 -2.970 -9.652 2.401 468 HG LEU 63 HG LEU 63 -5.456 -8.266 1.337 469 HD11 LEU 63 1HD1 LEU 63 -6.418 -10.522 1.261 470 HD12 LEU 63 2HD1 LEU 63 -5.033 -10.361 0.156 471 HD13 LEU 63 3HD1 LEU 63 -4.840 -11.211 1.708 472 HD21 LEU 63 1HD2 LEU 63 -6.472 -9.194 3.390 473 HD22 LEU 63 2HD2 LEU 63 -4.893 -9.865 3.868 474 HD23 LEU 63 3HD2 LEU 63 -5.122 -8.102 3.782 475 H ALA 64 H ALA 64 -1.191 -7.224 0.407 476 HA ALA 64 HA ALA 64 1.117 -8.279 1.722 477 HB1 ALA 64 1HB ALA 64 2.380 -7.232 -0.122 478 HB2 ALA 64 2HB ALA 64 0.946 -8.098 -0.723 479 HB3 ALA 64 3HB ALA 64 0.927 -6.324 -0.597 480 H ALA 65 H ALA 65 0.015 -4.921 1.237 481 HA ALA 65 HA ALA 65 2.226 -3.720 2.600 482 HB1 ALA 65 1HB ALA 65 0.777 -1.728 2.740 483 HB2 ALA 65 2HB ALA 65 0.736 -2.451 1.115 484 HB3 ALA 65 3HB ALA 65 -0.618 -2.711 2.239 485 H HIS 66 H HIS 66 -0.959 -4.818 3.730 486 HA HIS 66 HA HIS 66 -0.711 -3.924 6.429 487 HB2 HIS 66 1HB HIS 66 -2.843 -4.748 5.525 488 HB3 HIS 66 2HB HIS 66 -2.153 -6.345 5.268 489 HD2 HIS 66 HD2 HIS 66 -2.518 -8.104 7.481 490 HE1 HIS 66 HE1 HIS 66 -3.528 -5.048 10.254 491 H ARG 67 H ARG 67 0.064 -7.125 5.036 492 HA ARG 67 HA ARG 67 1.163 -8.176 7.471 493 HB2 ARG 67 1HB ARG 67 1.594 -8.887 4.548 494 HB3 ARG 67 2HB ARG 67 2.336 -9.781 5.866 495 HG2 ARG 67 1HG ARG 67 0.130 -10.392 6.729 496 HG3 ARG 67 2HG ARG 67 -0.643 -9.451 5.430 497 HD2 ARG 67 1HD ARG 67 0.271 -10.885 3.767 498 HD3 ARG 67 2HD ARG 67 1.244 -11.748 4.980 499 HE ARG 67 HE ARG 67 -1.471 -11.896 5.736 500 HH11 ARG 67 1HH1 ARG 67 0.686 -13.069 3.224 501 HH12 ARG 67 2HH1 ARG 67 -0.235 -14.528 2.939 502 HH21 ARG 67 1HH2 ARG 67 -2.659 -13.793 5.357 503 HH22 ARG 67 2HH2 ARG 67 -2.130 -14.939 4.146 504 H MET 68 H MET 68 2.621 -6.393 4.782 505 HA MET 68 HA MET 68 5.340 -6.577 5.606 506 HB2 MET 68 1HB MET 68 4.487 -5.596 3.446 507 HB3 MET 68 2HB MET 68 3.954 -4.183 4.346 508 HG2 MET 68 1HG MET 68 6.025 -3.594 3.395 509 HG3 MET 68 2HG MET 68 6.368 -3.897 5.100 510 HE1 MET 68 1HE MET 68 8.869 -6.645 5.163 511 HE2 MET 68 2HE MET 68 8.481 -4.993 5.703 512 HE3 MET 68 3HE MET 68 7.315 -6.313 5.965 513 H TRP 69 H TRP 69 2.882 -4.135 6.479 514 HA TRP 69 HA TRP 69 4.510 -2.662 8.289 515 HB2 TRP 69 1HB TRP 69 2.281 -1.901 7.504 516 HB3 TRP 69 2HB TRP 69 1.512 -3.210 8.390 517 HD1 TRP 69 HD1 TRP 69 3.362 0.123 8.980 518 HE1 TRP 69 HE1 TRP 69 2.803 0.981 11.354 519 HE3 TRP 69 HE3 TRP 69 0.765 -3.952 10.698 520 HZ2 TRP 69 HZ2 TRP 69 1.434 0.035 13.635 521 HZ3 TRP 69 HZ3 TRP 69 -0.142 -3.913 12.987 522 HH2 TRP 69 HH2 TRP 69 0.181 -1.952 14.437 523 H MET 70 H MET 70 2.499 -5.543 8.834 524 HA MET 70 HA MET 70 2.853 -5.695 11.658 525 HB2 MET 70 1HB MET 70 2.439 -7.859 9.568 526 HB3 MET 70 2HB MET 70 2.422 -8.162 11.299 527 HG2 MET 70 1HG MET 70 0.483 -6.732 11.586 528 HG3 MET 70 2HG MET 70 0.544 -6.244 9.890 529 HE1 MET 70 1HE MET 70 -0.611 -10.456 11.410 530 HE2 MET 70 2HE MET 70 1.034 -9.798 11.595 531 HE3 MET 70 3HE MET 70 -0.330 -9.043 12.455 532 H ARG 71 H ARG 71 4.768 -7.195 9.044 533 HA ARG 71 HA ARG 71 6.677 -8.430 10.790 534 HB2 ARG 71 1HB ARG 71 6.962 -7.443 7.925 535 HB3 ARG 71 2HB ARG 71 8.138 -8.452 8.754 536 HG2 ARG 71 1HG ARG 71 5.281 -9.219 8.105 537 HG3 ARG 71 2HG ARG 71 6.752 -9.779 7.273 538 HD2 ARG 71 1HD ARG 71 7.518 -10.711 9.449 539 HD3 ARG 71 2HD ARG 71 5.913 -10.317 10.108 540 HE ARG 71 HE ARG 71 5.711 -11.842 7.688 541 HH11 ARG 71 1HH1 ARG 71 6.401 -12.105 11.123 542 HH12 ARG 71 2HH1 ARG 71 5.884 -13.773 11.226 543 HH21 ARG 71 1HH2 ARG 71 5.043 -14.007 7.836 544 HH22 ARG 71 2HH2 ARG 71 5.115 -14.851 9.366 545 H LEU 72 H LEU 72 6.558 -5.213 9.313 546 HA LEU 72 HA LEU 72 9.190 -4.402 10.110 547 HB2 LEU 72 1HB LEU 72 6.631 -2.842 9.587 548 HB3 LEU 72 2HB LEU 72 8.182 -2.069 9.926 549 HG LEU 72 HG LEU 72 7.694 -3.924 7.572 550 HD11 LEU 72 1HD1 LEU 72 7.598 -1.871 6.230 551 HD12 LEU 72 2HD1 LEU 72 6.275 -1.944 7.417 552 HD13 LEU 72 3HD1 LEU 72 7.682 -0.896 7.716 553 HD21 LEU 72 1HD2 LEU 72 9.809 -2.930 6.768 554 HD22 LEU 72 2HD2 LEU 72 9.926 -1.969 8.262 555 HD23 LEU 72 3HD2 LEU 72 10.039 -3.744 8.334 556 H GLN 73 H GLN 73 6.057 -4.227 11.763 557 HA GLN 73 HA GLN 73 7.166 -2.909 14.112 558 HB2 GLN 73 1HB GLN 73 4.587 -4.475 13.679 559 HB3 GLN 73 2HB GLN 73 4.986 -3.617 15.160 560 HG2 GLN 73 1HG GLN 73 4.639 -2.373 12.424 561 HG3 GLN 73 2HG GLN 73 3.478 -2.317 13.780 562 HE21 GLN 73 1HE2 GLN 73 5.964 0.670 13.421 563 HE22 GLN 73 2HE2 GLN 73 5.305 -0.328 12.168 564 H GLU 74 H GLU 74 6.695 -6.245 13.097 565 HA GLU 74 HA GLU 74 7.198 -7.475 15.639 566 HB2 GLU 74 1HB GLU 74 6.282 -8.652 13.617 567 HB3 GLU 74 2HB GLU 74 7.859 -8.516 12.852 568 HG2 GLU 74 1HG GLU 74 8.854 -9.890 14.621 569 HG3 GLU 74 2HG GLU 74 7.291 -10.002 15.426 Start of MODEL 7 1 H1 ILE 8 1H ILE 8 1.347 0.477 -2.312 2 H2 ILE 8 2H ILE 8 1.552 -0.070 -0.788 3 H3 ILE 8 3H ILE 8 1.169 1.495 -1.048 4 HA ILE 8 HA ILE 8 3.675 0.419 -0.791 5 HB ILE 8 HB ILE 8 3.065 1.527 -3.578 6 HG12 ILE 8 1HG1 ILE 8 2.356 -0.779 -3.417 7 HG13 ILE 8 2HG1 ILE 8 3.800 -0.653 -4.409 8 HG21 ILE 8 1HG2 ILE 8 5.460 1.142 -3.996 9 HG22 ILE 8 2HG2 ILE 8 5.221 2.302 -2.669 10 HG23 ILE 8 3HG2 ILE 8 5.675 0.620 -2.308 11 HD11 ILE 8 1HD1 ILE 8 3.913 -2.587 -2.941 12 HD12 ILE 8 2HD1 ILE 8 5.180 -1.409 -2.522 13 HD13 ILE 8 3HD1 ILE 8 3.717 -1.539 -1.517 14 H GLY 9 H GLY 9 1.897 3.154 -2.220 15 HA2 GLY 9 1HA GLY 9 3.705 5.170 -1.413 16 HA3 GLY 9 2HA GLY 9 1.960 5.398 -1.671 17 H TRP 10 H TRP 10 1.203 3.450 0.381 18 HA TRP 10 HA TRP 10 0.980 5.129 2.655 19 HB2 TRP 10 1HB TRP 10 -0.502 3.226 2.378 20 HB3 TRP 10 2HB TRP 10 0.849 2.102 2.369 21 HD1 TRP 10 HD1 TRP 10 0.560 4.918 4.997 22 HE1 TRP 10 HE1 TRP 10 0.263 3.849 7.333 23 HE3 TRP 10 HE3 TRP 10 0.060 0.019 3.563 24 HZ2 TRP 10 HZ2 TRP 10 -0.135 1.264 8.397 25 HZ3 TRP 10 HZ3 TRP 10 -0.275 -1.703 5.290 26 HH2 TRP 10 HH2 TRP 10 -0.375 -1.097 7.671 27 H LEU 11 H LEU 11 3.151 2.310 2.260 28 HA LEU 11 HA LEU 11 4.566 3.045 4.727 29 HB2 LEU 11 1HB LEU 11 5.116 0.904 2.630 30 HB3 LEU 11 2HB LEU 11 5.971 1.062 4.167 31 HG LEU 11 HG LEU 11 3.027 0.391 3.819 32 HD11 LEU 11 1HD1 LEU 11 3.708 -1.802 4.688 33 HD12 LEU 11 2HD1 LEU 11 4.535 -1.414 3.161 34 HD13 LEU 11 3HD1 LEU 11 5.405 -1.268 4.706 35 HD21 LEU 11 1HD2 LEU 11 3.081 0.046 6.266 36 HD22 LEU 11 2HD2 LEU 11 4.771 0.606 6.309 37 HD23 LEU 11 3HD2 LEU 11 3.471 1.732 5.849 38 H GLN 12 H GLN 12 4.891 3.675 1.351 39 HA GLN 12 HA GLN 12 7.698 4.274 1.290 40 HB2 GLN 12 1HB GLN 12 6.243 4.038 -0.740 41 HB3 GLN 12 2HB GLN 12 5.431 5.536 -0.310 42 HG2 GLN 12 1HG GLN 12 7.522 6.774 -0.565 43 HG3 GLN 12 2HG GLN 12 8.371 5.255 -0.967 44 HE21 GLN 12 1HE2 GLN 12 7.757 6.711 -4.217 45 HE22 GLN 12 2HE2 GLN 12 8.815 6.872 -2.855 46 H GLU 13 H GLU 13 4.864 6.297 2.037 47 HA GLU 13 HA GLU 13 6.337 8.682 2.641 48 HB2 GLU 13 1HB GLU 13 3.692 7.596 3.688 49 HB3 GLU 13 2HB GLU 13 4.319 9.182 4.116 50 HG2 GLU 13 1HG GLU 13 4.222 9.907 1.812 51 HG3 GLU 13 2HG GLU 13 3.770 8.289 1.279 52 H MET 14 H MET 14 5.352 5.952 4.709 53 HA MET 14 HA MET 14 6.506 6.956 7.126 54 HB2 MET 14 1HB MET 14 6.021 4.126 6.138 55 HB3 MET 14 2HB MET 14 6.590 4.503 7.757 56 HG2 MET 14 1HG MET 14 4.533 5.786 8.190 57 HG3 MET 14 2HG MET 14 3.962 5.425 6.559 58 HE1 MET 14 1HE MET 14 4.494 2.305 9.932 59 HE2 MET 14 2HE MET 14 5.876 3.138 9.179 60 HE3 MET 14 3HE MET 14 4.696 4.061 10.140 61 H CYS 15 H CYS 15 7.917 5.205 4.406 62 HA CYS 15 HA CYS 15 10.522 4.675 5.574 63 HB2 CYS 15 1HB CYS 15 9.574 4.877 2.765 64 HB3 CYS 15 2HB CYS 15 11.246 4.576 3.218 65 HG CYS 15 HG CYS 15 10.755 2.481 4.675 66 H MET 16 H MET 16 9.285 7.277 3.426 67 HA MET 16 HA MET 16 11.770 8.666 3.187 68 HB2 MET 16 1HB MET 16 8.891 9.585 2.905 69 HB3 MET 16 2HB MET 16 10.268 10.622 2.561 70 HG2 MET 16 1HG MET 16 11.030 8.901 0.874 71 HG3 MET 16 2HG MET 16 9.497 8.065 1.135 72 HE1 MET 16 1HE MET 16 6.845 10.457 -0.296 73 HE2 MET 16 2HE MET 16 7.226 8.796 0.224 74 HE3 MET 16 3HE MET 16 7.280 10.132 1.399 75 H GLN 17 H GLN 17 9.207 8.867 5.601 76 HA GLN 17 HA GLN 17 10.316 11.230 6.890 77 HB2 GLN 17 1HB GLN 17 8.316 9.125 7.809 78 HB3 GLN 17 2HB GLN 17 8.760 10.528 8.770 79 HG2 GLN 17 1HG GLN 17 7.899 12.022 7.045 80 HG3 GLN 17 2HG GLN 17 7.489 10.614 6.026 81 HE21 GLN 17 1HE2 GLN 17 4.330 11.501 7.571 82 HE22 GLN 17 2HE2 GLN 17 5.401 12.058 6.329 83 H ARG 18 H ARG 18 11.244 7.973 6.799 84 HA ARG 18 HA ARG 18 12.757 8.299 9.372 85 HB2 ARG 18 1HB ARG 18 11.644 5.793 8.054 86 HB3 ARG 18 2HB ARG 18 12.756 5.776 9.414 87 HG2 ARG 18 1HG ARG 18 11.138 6.805 10.855 88 HG3 ARG 18 2HG ARG 18 10.038 7.105 9.488 89 HD2 ARG 18 1HD ARG 18 9.717 4.759 9.170 90 HD3 ARG 18 2HD ARG 18 10.931 4.386 10.415 91 HE ARG 18 HE ARG 18 9.364 4.774 12.037 92 HH11 ARG 18 1HH1 ARG 18 8.217 6.126 9.004 93 HH12 ARG 18 2HH1 ARG 18 6.622 6.489 9.624 94 HH21 ARG 18 1HH2 ARG 18 7.290 5.251 12.830 95 HH22 ARG 18 2HH2 ARG 18 6.096 5.994 11.790 96 H ARG 19 H ARG 19 13.263 8.786 6.315 97 HA ARG 19 HA ARG 19 15.111 8.644 4.912 98 HB2 ARG 19 1HB ARG 19 16.540 7.949 7.508 99 HB3 ARG 19 2HB ARG 19 17.322 8.416 6.006 100 HG2 ARG 19 1HG ARG 19 16.322 10.641 6.142 101 HG3 ARG 19 2HG ARG 19 15.465 10.173 7.631 102 HD2 ARG 19 1HD ARG 19 17.679 9.689 8.651 103 HD3 ARG 19 2HD ARG 19 18.431 10.393 7.201 104 HE ARG 19 HE ARG 19 16.563 12.248 8.174 105 HH11 ARG 19 1HH1 ARG 19 19.574 10.748 9.187 106 HH12 ARG 19 2HH1 ARG 19 20.076 12.117 10.153 107 HH21 ARG 19 1HH2 ARG 19 17.226 14.019 9.431 108 HH22 ARG 19 2HH2 ARG 19 18.748 13.969 10.292 109 H TRP 20 H TRP 20 13.453 6.283 5.357 110 HA TRP 20 HA TRP 20 15.448 4.117 4.859 111 HB2 TRP 20 1HB TRP 20 12.442 4.083 5.352 112 HB3 TRP 20 2HB TRP 20 13.368 2.658 4.905 113 HD1 TRP 20 HD1 TRP 20 15.781 4.178 7.007 114 HE1 TRP 20 HE1 TRP 20 15.596 3.456 9.483 115 HE3 TRP 20 HE3 TRP 20 11.030 2.249 6.912 116 HZ2 TRP 20 HZ2 TRP 20 13.673 2.235 11.152 117 HZ3 TRP 20 HZ3 TRP 20 10.076 1.317 8.983 118 HH2 TRP 20 HH2 TRP 20 11.371 1.310 11.074 119 HA PRO 21 HA PRO 21 14.686 4.053 0.526 120 HB2 PRO 21 1HB PRO 21 14.962 1.371 0.006 121 HB3 PRO 21 2HB PRO 21 16.368 2.338 0.468 122 HG2 PRO 21 1HG PRO 21 14.617 0.555 2.216 123 HG3 PRO 21 2HG PRO 21 16.380 0.600 2.121 124 HD2 PRO 21 1HD PRO 21 15.057 1.925 4.088 125 HD3 PRO 21 2HD PRO 21 16.548 2.621 3.335 126 HA PRO 22 HA PRO 22 10.378 3.452 0.078 127 HB2 PRO 22 1HB PRO 22 11.241 3.130 -2.826 128 HB3 PRO 22 2HB PRO 22 9.990 4.190 -2.165 129 HG2 PRO 22 1HG PRO 22 12.295 5.285 -2.911 130 HG3 PRO 22 2HG PRO 22 11.565 5.800 -1.388 131 HD2 PRO 22 1HD PRO 22 13.841 3.833 -1.855 132 HD3 PRO 22 2HD PRO 22 13.696 5.131 -0.603 133 HA PRO 23 HA PRO 23 10.107 -0.908 -0.212 134 HB2 PRO 23 1HB PRO 23 7.390 -1.118 -0.015 135 HB3 PRO 23 2HB PRO 23 8.329 -0.580 1.383 136 HG2 PRO 23 1HG PRO 23 6.807 1.098 -0.657 137 HG3 PRO 23 2HG PRO 23 6.765 1.215 1.105 138 HD2 PRO 23 1HD PRO 23 8.345 2.858 -0.400 139 HD3 PRO 23 2HD PRO 23 8.857 2.285 1.238 140 H SER 24 H SER 24 9.290 -2.559 -1.529 141 HA SER 24 HA SER 24 8.223 -1.675 -4.219 142 HB2 SER 24 1HB SER 24 9.791 -2.870 -5.402 143 HB3 SER 24 2HB SER 24 10.610 -1.701 -4.378 144 HG SER 24 HG SER 24 11.576 -3.731 -4.341 145 H TYR 25 H TYR 25 7.758 -3.693 -5.544 146 HA TYR 25 HA TYR 25 6.985 -6.072 -3.970 147 HB2 TYR 25 1HB TYR 25 4.644 -5.958 -4.470 148 HB3 TYR 25 2HB TYR 25 5.083 -4.438 -3.703 149 HD1 TYR 25 HD1 TYR 25 3.855 -6.047 -6.720 150 HD2 TYR 25 HD2 TYR 25 5.299 -2.366 -5.054 151 HE1 TYR 25 HE1 TYR 25 2.900 -4.806 -8.632 152 HE2 TYR 25 HE2 TYR 25 4.343 -1.126 -6.966 153 HH TYR 25 HH TYR 25 2.608 -2.815 -9.572 154 H GLU 26 H GLU 26 6.310 -7.853 -5.236 155 HA GLU 26 HA GLU 26 6.634 -7.522 -8.189 156 HB2 GLU 26 1HB GLU 26 8.753 -8.469 -7.248 157 HB3 GLU 26 2HB GLU 26 7.831 -9.781 -6.528 158 HG2 GLU 26 1HG GLU 26 7.141 -10.536 -8.761 159 HG3 GLU 26 2HG GLU 26 8.043 -9.210 -9.492 160 H THR 27 H THR 27 5.043 -8.299 -9.318 161 HA THR 27 HA THR 27 2.950 -9.837 -7.871 162 HB THR 27 HB THR 27 2.926 -8.521 -10.625 163 HG1 THR 27 HG1 THR 27 1.560 -7.015 -9.509 164 HG21 THR 27 1HG2 THR 27 0.495 -8.908 -10.524 165 HG22 THR 27 2HG2 THR 27 1.387 -10.447 -10.461 166 HG23 THR 27 3HG2 THR 27 0.691 -9.760 -8.975 167 H GLU 28 H GLU 28 2.476 -11.872 -8.160 168 HA GLU 28 HA GLU 28 4.059 -13.382 -10.193 169 HB2 GLU 28 1HB GLU 28 2.428 -14.335 -7.799 170 HB3 GLU 28 2HB GLU 28 3.326 -15.379 -8.891 171 HG2 GLU 28 1HG GLU 28 5.427 -14.304 -8.207 172 HG3 GLU 28 2HG GLU 28 4.532 -13.238 -7.125 173 H THR 29 H THR 29 3.065 -15.099 -11.381 174 HA THR 29 HA THR 29 0.734 -14.214 -12.800 175 HB THR 29 HB THR 29 1.948 -17.011 -12.665 176 HG1 THR 29 HG1 THR 29 3.014 -16.279 -14.592 177 HG21 THR 29 1HG2 THR 29 0.865 -17.310 -14.858 178 HG22 THR 29 2HG2 THR 29 -0.340 -16.965 -13.595 179 HG23 THR 29 3HG2 THR 29 0.149 -15.686 -14.730 180 H GLU 30 H GLU 30 -1.358 -14.594 -12.660 181 HA GLU 30 HA GLU 30 -2.451 -15.353 -10.120 182 HB2 GLU 30 1HB GLU 30 -4.605 -15.111 -11.175 183 HB3 GLU 30 2HB GLU 30 -3.563 -13.848 -11.813 184 HG2 GLU 30 1HG GLU 30 -3.923 -16.453 -13.280 185 HG3 GLU 30 2HG GLU 30 -5.098 -15.147 -13.422 186 H VAL 31 H VAL 31 -3.771 -17.080 -9.525 187 HA VAL 31 HA VAL 31 -3.272 -19.621 -11.063 188 HB VAL 31 HB VAL 31 -2.948 -20.760 -8.884 189 HG11 VAL 31 1HG1 VAL 31 -0.710 -19.923 -8.359 190 HG12 VAL 31 2HG1 VAL 31 -0.982 -20.042 -10.113 191 HG13 VAL 31 3HG1 VAL 31 -1.036 -18.455 -9.309 192 HG21 VAL 31 1HG2 VAL 31 -2.602 -19.415 -6.837 193 HG22 VAL 31 2HG2 VAL 31 -2.992 -17.935 -7.745 194 HG23 VAL 31 3HG2 VAL 31 -4.239 -19.179 -7.492 195 H GLY 32 H GLY 32 -5.571 -17.654 -10.679 196 HA2 GLY 32 1HA GLY 32 -7.516 -19.500 -9.387 197 HA3 GLY 32 2HA GLY 32 -7.784 -17.780 -9.755 198 H LEU 33 H LEU 33 -9.730 -18.199 -10.834 199 HA LEU 33 HA LEU 33 -9.564 -19.901 -13.282 200 HB2 LEU 33 1HB LEU 33 -11.987 -18.683 -11.897 201 HB3 LEU 33 2HB LEU 33 -12.018 -19.823 -13.246 202 HG LEU 33 HG LEU 33 -11.022 -20.436 -10.440 203 HD11 LEU 33 1HD1 LEU 33 -13.056 -21.801 -10.294 204 HD12 LEU 33 2HD1 LEU 33 -13.436 -20.080 -10.539 205 HD13 LEU 33 3HD1 LEU 33 -13.560 -21.223 -11.899 206 HD21 LEU 33 1HD2 LEU 33 -10.953 -22.762 -11.271 207 HD22 LEU 33 2HD2 LEU 33 -11.428 -22.198 -12.891 208 HD23 LEU 33 3HD2 LEU 33 -9.858 -21.716 -12.206 209 HA PRO 34 HA PRO 34 -9.699 -16.631 -16.188 210 HB2 PRO 34 1HB PRO 34 -12.200 -18.003 -17.257 211 HB3 PRO 34 2HB PRO 34 -10.749 -17.521 -18.145 212 HG2 PRO 34 1HG PRO 34 -11.085 -20.101 -17.603 213 HG3 PRO 34 2HG PRO 34 -9.485 -19.388 -17.377 214 HD2 PRO 34 1HD PRO 34 -11.619 -20.008 -15.296 215 HD3 PRO 34 2HD PRO 34 -9.832 -20.280 -15.212 216 H HIS 35 H HIS 35 -12.707 -17.589 -14.607 217 HA HIS 35 HA HIS 35 -13.794 -14.857 -15.072 218 HB2 HIS 35 1HB HIS 35 -15.045 -17.345 -13.827 219 HB3 HIS 35 2HB HIS 35 -15.868 -15.807 -14.045 220 HD2 HIS 35 HD2 HIS 35 -15.273 -19.041 -15.961 221 HE1 HIS 35 HE1 HIS 35 -16.633 -16.177 -18.809 222 H GLU 36 H GLU 36 -12.227 -16.740 -12.652 223 HA GLU 36 HA GLU 36 -12.469 -14.423 -10.793 224 HB2 GLU 36 1HB GLU 36 -14.173 -16.226 -10.178 225 HB3 GLU 36 2HB GLU 36 -12.818 -17.307 -9.884 226 HG2 GLU 36 1HG GLU 36 -11.966 -15.766 -8.158 227 HG3 GLU 36 2HG GLU 36 -13.334 -14.693 -8.449 228 H ARG 37 H ARG 37 -10.346 -14.065 -11.728 229 HA ARG 37 HA ARG 37 -8.229 -16.005 -11.296 230 HB2 ARG 37 1HB ARG 37 -8.178 -13.022 -11.894 231 HB3 ARG 37 2HB ARG 37 -6.743 -14.033 -11.821 232 HG2 ARG 37 1HG ARG 37 -7.540 -15.359 -13.709 233 HG3 ARG 37 2HG ARG 37 -9.040 -14.401 -13.762 234 HD2 ARG 37 1HD ARG 37 -6.284 -13.236 -14.054 235 HD3 ARG 37 2HD ARG 37 -7.310 -13.746 -15.415 236 HE ARG 37 HE ARG 37 -8.857 -12.034 -13.845 237 HH11 ARG 37 1HH1 ARG 37 -5.887 -11.873 -15.715 238 HH12 ARG 37 2HH1 ARG 37 -6.079 -10.178 -16.107 239 HH21 ARG 37 1HH2 ARG 37 -9.094 -9.836 -14.360 240 HH22 ARG 37 2HH2 ARG 37 -7.894 -9.024 -15.340 241 H LEU 38 H LEU 38 -6.684 -16.163 -9.786 242 HA LEU 38 HA LEU 38 -7.019 -14.409 -7.375 243 HB2 LEU 38 1HB LEU 38 -6.031 -17.287 -7.524 244 HB3 LEU 38 2HB LEU 38 -6.171 -16.315 -6.056 245 HG LEU 38 HG LEU 38 -8.503 -17.204 -7.790 246 HD11 LEU 38 1HD1 LEU 38 -8.985 -18.736 -5.934 247 HD12 LEU 38 2HD1 LEU 38 -7.405 -19.079 -6.677 248 HD13 LEU 38 3HD1 LEU 38 -7.489 -18.221 -5.120 249 HD21 LEU 38 1HD2 LEU 38 -9.852 -16.381 -5.889 250 HD22 LEU 38 2HD2 LEU 38 -8.368 -15.832 -5.073 251 HD23 LEU 38 3HD2 LEU 38 -8.879 -15.070 -6.599 252 H PHE 39 H PHE 39 -5.379 -13.246 -6.710 253 HA PHE 39 HA PHE 39 -2.850 -13.554 -8.298 254 HB2 PHE 39 1HB PHE 39 -4.163 -11.051 -7.155 255 HB3 PHE 39 2HB PHE 39 -2.607 -11.088 -7.969 256 HD1 PHE 39 HD1 PHE 39 -6.236 -11.315 -8.392 257 HD2 PHE 39 HD2 PHE 39 -2.452 -11.403 -10.372 258 HE1 PHE 39 HE1 PHE 39 -7.369 -11.003 -10.567 259 HE2 PHE 39 HE2 PHE 39 -3.581 -11.089 -12.549 260 HZ PHE 39 HZ PHE 39 -6.041 -10.891 -12.646 261 H THR 40 H THR 40 -0.891 -13.345 -7.363 262 HA THR 40 HA THR 40 -0.845 -12.939 -4.396 263 HB THR 40 HB THR 40 0.770 -15.012 -5.948 264 HG1 THR 40 HG1 THR 40 -0.490 -16.469 -4.656 265 HG21 THR 40 1HG2 THR 40 1.573 -15.685 -3.719 266 HG22 THR 40 2HG2 THR 40 2.011 -13.996 -4.069 267 HG23 THR 40 3HG2 THR 40 0.652 -14.356 -2.980 268 H ILE 41 H ILE 41 0.520 -11.505 -3.677 269 HA ILE 41 HA ILE 41 2.749 -10.609 -5.472 270 HB ILE 41 HB ILE 41 0.724 -8.821 -4.032 271 HG12 ILE 41 1HG1 ILE 41 1.296 -9.155 -6.987 272 HG13 ILE 41 2HG1 ILE 41 -0.109 -9.781 -6.140 273 HG21 ILE 41 1HG2 ILE 41 2.018 -6.953 -4.978 274 HG22 ILE 41 2HG2 ILE 41 3.019 -7.935 -3.884 275 HG23 ILE 41 3HG2 ILE 41 3.200 -8.104 -5.645 276 HD11 ILE 41 1HD1 ILE 41 -0.643 -7.726 -7.324 277 HD12 ILE 41 2HD1 ILE 41 -0.800 -7.494 -5.566 278 HD13 ILE 41 3HD1 ILE 41 0.624 -6.859 -6.426 279 H ALA 42 H ALA 42 4.615 -10.410 -4.593 280 HA ALA 42 HA ALA 42 4.725 -10.445 -1.608 281 HB1 ALA 42 1HB ALA 42 7.020 -11.306 -1.889 282 HB2 ALA 42 2HB ALA 42 5.828 -12.353 -2.695 283 HB3 ALA 42 3HB ALA 42 6.826 -11.238 -3.656 284 H CYS 43 H CYS 43 5.493 -8.798 -0.510 285 HA CYS 43 HA CYS 43 6.705 -6.485 -2.056 286 HB2 CYS 43 1HB CYS 43 4.992 -6.367 0.378 287 HB3 CYS 43 2HB CYS 43 5.747 -5.026 -0.472 288 HG CYS 43 HG CYS 43 3.218 -5.037 -0.915 289 H SER 44 H SER 44 8.304 -5.271 -0.998 290 HA SER 44 HA SER 44 9.631 -6.538 1.412 291 HB2 SER 44 1HB SER 44 10.695 -7.464 -0.476 292 HB3 SER 44 2HB SER 44 10.990 -5.865 -1.142 293 HG SER 44 HG SER 44 12.739 -6.668 0.020 294 H ILE 45 H ILE 45 10.602 -5.100 2.763 295 HA ILE 45 HA ILE 45 10.925 -2.259 1.990 296 HB ILE 45 HB ILE 45 8.522 -2.443 2.772 297 HG12 ILE 45 1HG1 ILE 45 10.255 -0.953 4.750 298 HG13 ILE 45 2HG1 ILE 45 9.989 -0.412 3.100 299 HG21 ILE 45 1HG2 ILE 45 8.113 -2.937 5.149 300 HG22 ILE 45 2HG2 ILE 45 8.828 -4.338 4.319 301 HG23 ILE 45 3HG2 ILE 45 9.837 -3.318 5.371 302 HD11 ILE 45 1HD1 ILE 45 8.496 0.723 4.647 303 HD12 ILE 45 2HD1 ILE 45 7.570 -0.292 3.515 304 HD13 ILE 45 3HD1 ILE 45 7.840 -0.839 5.187 305 H LEU 46 H LEU 46 12.676 -1.467 2.735 306 HA LEU 46 HA LEU 46 14.641 -1.305 3.966 307 HB2 LEU 46 1HB LEU 46 12.960 -0.517 5.652 308 HB3 LEU 46 2HB LEU 46 12.803 -2.176 6.235 309 HG LEU 46 HG LEU 46 15.251 -2.110 6.849 310 HD11 LEU 46 1HD1 LEU 46 16.318 0.096 6.990 311 HD12 LEU 46 2HD1 LEU 46 15.925 -0.338 5.310 312 HD13 LEU 46 3HD1 LEU 46 14.909 0.829 6.189 313 HD21 LEU 46 1HD2 LEU 46 14.860 -0.728 8.860 314 HD22 LEU 46 2HD2 LEU 46 13.429 -0.005 8.086 315 HD23 LEU 46 3HD2 LEU 46 13.441 -1.738 8.492 316 H ASN 47 H ASN 47 13.685 -3.618 6.337 317 HA ASN 47 HA ASN 47 15.539 -5.621 5.084 318 HB2 ASN 47 1HB ASN 47 15.288 -4.817 7.994 319 HB3 ASN 47 2HB ASN 47 16.161 -6.236 7.432 320 HD21 ASN 47 1HD2 ASN 47 18.344 -3.155 7.839 321 HD22 ASN 47 2HD2 ASN 47 17.087 -3.815 8.831 322 H TYR 48 H TYR 48 12.613 -5.377 4.905 323 HA TYR 48 HA TYR 48 11.901 -7.981 6.205 324 HB2 TYR 48 1HB TYR 48 10.142 -5.500 6.075 325 HB3 TYR 48 2HB TYR 48 9.660 -7.074 6.693 326 HD1 TYR 48 HD1 TYR 48 11.693 -4.075 7.318 327 HD2 TYR 48 HD2 TYR 48 10.395 -7.864 8.855 328 HE1 TYR 48 HE1 TYR 48 12.493 -3.437 9.568 329 HE2 TYR 48 HE2 TYR 48 11.194 -7.226 11.105 330 HH TYR 48 HH TYR 48 12.711 -4.061 11.688 331 H ARG 49 H ARG 49 10.091 -9.080 5.255 332 HA ARG 49 HA ARG 49 9.139 -8.219 2.625 333 HB2 ARG 49 1HB ARG 49 11.421 -9.249 2.166 334 HB3 ARG 49 2HB ARG 49 10.795 -10.762 2.802 335 HG2 ARG 49 1HG ARG 49 9.109 -10.839 1.031 336 HG3 ARG 49 2HG ARG 49 9.696 -9.281 0.399 337 HD2 ARG 49 1HD ARG 49 11.782 -10.209 -0.181 338 HD3 ARG 49 2HD ARG 49 11.432 -11.713 0.702 339 HE ARG 49 HE ARG 49 9.414 -11.548 -1.145 340 HH11 ARG 49 1HH1 ARG 49 12.922 -11.472 -1.317 341 HH12 ARG 49 2HH1 ARG 49 12.985 -12.194 -2.909 342 HH21 ARG 49 1HH2 ARG 49 9.509 -12.484 -3.212 343 HH22 ARG 49 2HH2 ARG 49 11.054 -12.767 -3.983 344 H GLU 50 H GLU 50 7.169 -8.887 2.298 345 HA GLU 50 HA GLU 50 6.269 -11.449 3.515 346 HB2 GLU 50 1HB GLU 50 4.994 -8.729 4.019 347 HB3 GLU 50 2HB GLU 50 4.169 -10.255 4.307 348 HG2 GLU 50 1HG GLU 50 6.776 -9.474 5.627 349 HG3 GLU 50 2HG GLU 50 5.185 -9.179 6.324 350 H MET 51 H MET 51 4.248 -12.221 2.703 351 HA MET 51 HA MET 51 3.665 -11.171 -0.044 352 HB2 MET 51 1HB MET 51 5.210 -13.082 -0.235 353 HB3 MET 51 2HB MET 51 4.141 -14.068 0.753 354 HG2 MET 51 1HG MET 51 2.415 -13.997 -0.956 355 HG3 MET 51 2HG MET 51 3.373 -12.877 -1.927 356 HE1 MET 51 1HE MET 51 4.292 -17.352 -1.255 357 HE2 MET 51 2HE MET 51 4.278 -16.186 0.091 358 HE3 MET 51 3HE MET 51 2.778 -16.532 -0.804 359 H GLY 52 H GLY 52 1.628 -11.010 -0.593 360 HA2 GLY 52 1HA GLY 52 -0.383 -12.418 1.119 361 HA3 GLY 52 2HA GLY 52 -0.581 -10.718 0.635 362 H LYS 53 H LYS 53 -2.576 -12.461 0.046 363 HA LYS 53 HA LYS 53 -2.567 -12.412 -2.899 364 HB2 LYS 53 1HB LYS 53 -3.113 -14.762 -3.178 365 HB3 LYS 53 2HB LYS 53 -1.552 -14.626 -2.382 366 HG2 LYS 53 1HG LYS 53 -2.621 -15.093 -0.203 367 HG3 LYS 53 2HG LYS 53 -4.186 -15.244 -1.013 368 HD2 LYS 53 1HD LYS 53 -3.299 -17.110 -2.379 369 HD3 LYS 53 2HD LYS 53 -1.736 -16.961 -1.562 370 HE2 LYS 53 1HE LYS 53 -2.801 -17.482 0.599 371 HE3 LYS 53 2HE LYS 53 -4.376 -17.597 -0.192 372 HZ1 LYS 53 1HZ LYS 53 -3.390 -19.745 0.126 373 HZ2 LYS 53 2HZ LYS 53 -3.526 -19.429 -1.487 374 HZ3 LYS 53 3HZ LYS 53 -2.056 -19.323 -0.747 375 H GLY 54 H GLY 54 -4.635 -12.832 -3.838 376 HA2 GLY 54 1HA GLY 54 -7.008 -13.150 -2.281 377 HA3 GLY 54 2HA GLY 54 -6.697 -11.415 -2.524 378 H LYS 55 H LYS 55 -8.702 -11.379 -3.727 379 HA LYS 55 HA LYS 55 -8.794 -12.944 -6.244 380 HB2 LYS 55 1HB LYS 55 -10.793 -11.047 -4.951 381 HB3 LYS 55 2HB LYS 55 -11.071 -11.927 -6.447 382 HG2 LYS 55 1HG LYS 55 -10.876 -14.066 -5.237 383 HG3 LYS 55 2HG LYS 55 -10.587 -13.184 -3.730 384 HD2 LYS 55 1HD LYS 55 -12.806 -12.072 -3.990 385 HD3 LYS 55 2HD LYS 55 -13.094 -13.035 -5.446 386 HE2 LYS 55 1HE LYS 55 -12.877 -15.111 -4.100 387 HE3 LYS 55 2HE LYS 55 -12.631 -14.136 -2.649 388 HZ1 LYS 55 1HZ LYS 55 -14.898 -14.845 -2.860 389 HZ2 LYS 55 2HZ LYS 55 -14.817 -13.202 -2.976 390 HZ3 LYS 55 3HZ LYS 55 -15.048 -14.114 -4.331 391 H SER 56 H SER 56 -7.395 -10.115 -5.303 392 HA SER 56 HA SER 56 -7.274 -9.168 -8.159 393 HB2 SER 56 1HB SER 56 -7.805 -7.000 -7.733 394 HB3 SER 56 2HB SER 56 -9.121 -7.992 -7.123 395 HG SER 56 HG SER 56 -8.621 -6.465 -5.636 396 H LYS 57 H LYS 57 -5.486 -7.763 -8.534 397 HA LYS 57 HA LYS 57 -3.094 -8.288 -7.031 398 HB2 LYS 57 1HB LYS 57 -3.788 -6.105 -9.033 399 HB3 LYS 57 2HB LYS 57 -2.180 -6.341 -8.363 400 HG2 LYS 57 1HG LYS 57 -2.088 -8.597 -9.347 401 HG3 LYS 57 2HG LYS 57 -3.714 -8.376 -10.007 402 HD2 LYS 57 1HD LYS 57 -2.877 -6.381 -11.276 403 HD3 LYS 57 2HD LYS 57 -1.246 -6.736 -10.687 404 HE2 LYS 57 1HE LYS 57 -1.324 -8.950 -11.772 405 HE3 LYS 57 2HE LYS 57 -2.964 -8.625 -12.339 406 HZ1 LYS 57 1HZ LYS 57 -1.342 -8.191 -14.033 407 HZ2 LYS 57 2HZ LYS 57 -2.097 -6.785 -13.613 408 HZ3 LYS 57 3HZ LYS 57 -0.564 -7.090 -13.084 409 H LYS 58 H LYS 58 -5.496 -5.707 -6.869 410 HA LYS 58 HA LYS 58 -4.072 -3.981 -5.088 411 HB2 LYS 58 1HB LYS 58 -7.046 -4.496 -5.457 412 HB3 LYS 58 2HB LYS 58 -6.403 -3.244 -4.403 413 HG2 LYS 58 1HG LYS 58 -5.312 -2.169 -6.338 414 HG3 LYS 58 2HG LYS 58 -5.962 -3.428 -7.398 415 HD2 LYS 58 1HD LYS 58 -8.265 -2.772 -6.755 416 HD3 LYS 58 2HD LYS 58 -7.607 -1.503 -5.712 417 HE2 LYS 58 1HE LYS 58 -6.565 -0.420 -7.667 418 HE3 LYS 58 2HE LYS 58 -7.186 -1.696 -8.717 419 HZ1 LYS 58 1HZ LYS 58 -8.574 0.242 -8.769 420 HZ2 LYS 58 2HZ LYS 58 -9.411 -1.024 -8.122 421 HZ3 LYS 58 3HZ LYS 58 -8.831 0.169 -7.141 422 H ILE 59 H ILE 59 -6.347 -6.643 -4.394 423 HA ILE 59 HA ILE 59 -6.146 -6.422 -1.528 424 HB ILE 59 HB ILE 59 -6.821 -8.782 -3.353 425 HG12 ILE 59 1HG1 ILE 59 -8.663 -7.094 -1.653 426 HG13 ILE 59 2HG1 ILE 59 -8.338 -6.763 -3.347 427 HG21 ILE 59 1HG2 ILE 59 -7.713 -9.869 -1.333 428 HG22 ILE 59 2HG2 ILE 59 -5.964 -9.581 -1.185 429 HG23 ILE 59 3HG2 ILE 59 -7.115 -8.521 -0.338 430 HD11 ILE 59 1HD1 ILE 59 -10.409 -8.008 -3.078 431 HD12 ILE 59 2HD1 ILE 59 -9.205 -8.979 -3.960 432 HD13 ILE 59 3HD1 ILE 59 -9.536 -9.314 -2.243 433 H ALA 60 H ALA 60 -4.376 -8.495 -3.817 434 HA ALA 60 HA ALA 60 -2.876 -9.866 -1.840 435 HB1 ALA 60 1HB ALA 60 -1.306 -10.385 -3.671 436 HB2 ALA 60 2HB ALA 60 -2.997 -10.596 -4.183 437 HB3 ALA 60 3HB ALA 60 -2.088 -9.153 -4.688 438 H LYS 61 H LYS 61 -2.107 -6.880 -3.633 439 HA LYS 61 HA LYS 61 0.525 -6.614 -2.455 440 HB2 LYS 61 1HB LYS 61 -0.192 -5.579 -4.635 441 HB3 LYS 61 2HB LYS 61 -1.226 -4.478 -3.734 442 HG2 LYS 61 1HG LYS 61 0.651 -3.410 -2.702 443 HG3 LYS 61 2HG LYS 61 1.763 -4.657 -3.285 444 HD2 LYS 61 1HD LYS 61 2.004 -2.715 -4.697 445 HD3 LYS 61 2HD LYS 61 1.201 -3.981 -5.638 446 HE2 LYS 61 1HE LYS 61 -1.003 -2.923 -5.102 447 HE3 LYS 61 2HE LYS 61 -0.145 -1.620 -4.274 448 HZ1 LYS 61 1HZ LYS 61 -0.698 -1.026 -6.517 449 HZ2 LYS 61 2HZ LYS 61 0.942 -1.096 -6.348 450 HZ3 LYS 61 3HZ LYS 61 0.139 -2.312 -7.122 451 H ARG 62 H ARG 62 -2.657 -5.249 -1.679 452 HA ARG 62 HA ARG 62 -1.709 -3.472 0.376 453 HB2 ARG 62 1HB ARG 62 -4.396 -4.778 -0.161 454 HB3 ARG 62 2HB ARG 62 -4.134 -3.688 1.191 455 HG2 ARG 62 1HG ARG 62 -3.665 -1.850 -0.275 456 HG3 ARG 62 2HG ARG 62 -3.646 -2.922 -1.696 457 HD2 ARG 62 1HD ARG 62 -6.004 -3.467 -1.259 458 HD3 ARG 62 2HD ARG 62 -5.996 -2.281 0.067 459 HE ARG 62 HE ARG 62 -5.058 -0.941 -2.186 460 HH11 ARG 62 1HH1 ARG 62 -7.992 -2.606 -1.207 461 HH12 ARG 62 2HH1 ARG 62 -9.035 -1.618 -2.206 462 HH21 ARG 62 1HH2 ARG 62 -6.422 0.335 -3.478 463 HH22 ARG 62 2HH2 ARG 62 -8.147 0.046 -3.491 464 H LEU 63 H LEU 63 -2.811 -6.843 0.444 465 HA LEU 63 HA LEU 63 -2.680 -7.138 3.299 466 HB2 LEU 63 1HB LEU 63 -2.425 -9.104 0.994 467 HB3 LEU 63 2HB LEU 63 -2.380 -9.608 2.686 468 HG LEU 63 HG LEU 63 -4.722 -8.174 1.385 469 HD11 LEU 63 1HD1 LEU 63 -5.806 -10.376 1.413 470 HD12 LEU 63 2HD1 LEU 63 -4.356 -10.370 0.381 471 HD13 LEU 63 3HD1 LEU 63 -4.295 -11.112 1.998 472 HD21 LEU 63 1HD2 LEU 63 -5.898 -8.894 3.437 473 HD22 LEU 63 2HD2 LEU 63 -4.389 -9.610 4.051 474 HD23 LEU 63 3HD2 LEU 63 -4.512 -7.849 3.827 475 H ALA 64 H ALA 64 -0.288 -7.835 0.747 476 HA ALA 64 HA ALA 64 1.776 -8.724 2.478 477 HB1 ALA 64 1HB ALA 64 3.308 -8.119 0.640 478 HB2 ALA 64 2HB ALA 64 1.870 -8.975 0.035 479 HB3 ALA 64 3HB ALA 64 1.998 -7.211 -0.149 480 H ALA 65 H ALA 65 0.952 -5.442 1.372 481 HA ALA 65 HA ALA 65 3.111 -4.110 2.662 482 HB1 ALA 65 1HB ALA 65 1.694 -2.096 2.502 483 HB2 ALA 65 2HB ALA 65 1.680 -3.026 0.984 484 HB3 ALA 65 3HB ALA 65 0.295 -3.116 2.096 485 H HIS 66 H HIS 66 -0.187 -4.827 3.820 486 HA HIS 66 HA HIS 66 0.108 -3.581 6.376 487 HB2 HIS 66 1HB HIS 66 -2.082 -4.299 5.419 488 HB3 HIS 66 2HB HIS 66 -1.601 -5.981 5.590 489 HD2 HIS 66 HD2 HIS 66 -2.387 -7.085 7.952 490 HE1 HIS 66 HE1 HIS 66 -2.979 -3.463 10.118 491 H ARG 67 H ARG 67 0.830 -6.880 5.285 492 HA ARG 67 HA ARG 67 1.558 -7.932 7.842 493 HB2 ARG 67 1HB ARG 67 2.463 -8.593 5.019 494 HB3 ARG 67 2HB ARG 67 3.025 -9.483 6.426 495 HG2 ARG 67 1HG ARG 67 0.723 -10.154 6.943 496 HG3 ARG 67 2HG ARG 67 0.141 -9.236 5.533 497 HD2 ARG 67 1HD ARG 67 0.314 -11.547 4.968 498 HD3 ARG 67 2HD ARG 67 1.567 -10.634 4.096 499 HE ARG 67 HE ARG 67 3.206 -11.719 5.309 500 HH11 ARG 67 1HH1 ARG 67 0.042 -12.449 6.648 501 HH12 ARG 67 2HH1 ARG 67 0.633 -13.742 7.667 502 HH21 ARG 67 1HH2 ARG 67 3.961 -13.400 6.636 503 HH22 ARG 67 2HH2 ARG 67 2.851 -14.281 7.661 504 H MET 68 H MET 68 3.571 -6.391 5.328 505 HA MET 68 HA MET 68 6.022 -6.454 6.782 506 HB2 MET 68 1HB MET 68 4.952 -4.488 4.730 507 HB3 MET 68 2HB MET 68 6.594 -4.441 5.356 508 HG2 MET 68 1HG MET 68 6.840 -6.842 4.529 509 HG3 MET 68 2HG MET 68 5.307 -6.607 3.686 510 HE1 MET 68 1HE MET 68 6.229 -3.554 1.327 511 HE2 MET 68 2HE MET 68 4.927 -4.642 1.869 512 HE3 MET 68 3HE MET 68 5.606 -3.437 2.990 513 H TRP 69 H TRP 69 3.409 -4.040 6.779 514 HA TRP 69 HA TRP 69 4.649 -2.185 8.555 515 HB2 TRP 69 1HB TRP 69 2.588 -1.662 7.303 516 HB3 TRP 69 2HB TRP 69 1.708 -2.898 8.191 517 HD1 TRP 69 HD1 TRP 69 3.340 0.568 8.722 518 HE1 TRP 69 HE1 TRP 69 2.263 1.684 10.791 519 HE3 TRP 69 HE3 TRP 69 0.459 -3.360 10.327 520 HZ2 TRP 69 HZ2 TRP 69 0.431 0.971 12.818 521 HZ3 TRP 69 HZ3 TRP 69 -0.932 -3.078 12.339 522 HH2 TRP 69 HH2 TRP 69 -0.953 -0.948 13.568 523 H MET 70 H MET 70 2.634 -5.038 9.236 524 HA MET 70 HA MET 70 2.632 -4.768 12.084 525 HB2 MET 70 1HB MET 70 2.474 -7.206 10.280 526 HB3 MET 70 2HB MET 70 2.277 -7.278 12.025 527 HG2 MET 70 1HG MET 70 0.303 -5.868 11.914 528 HG3 MET 70 2HG MET 70 0.538 -5.613 10.183 529 HE1 MET 70 1HE MET 70 -0.747 -9.595 12.149 530 HE2 MET 70 2HE MET 70 0.860 -8.879 12.423 531 HE3 MET 70 3HE MET 70 -0.599 -8.041 13.003 532 H ARG 71 H ARG 71 4.917 -6.405 9.901 533 HA ARG 71 HA ARG 71 6.647 -7.388 11.967 534 HB2 ARG 71 1HB ARG 71 7.243 -6.573 9.096 535 HB3 ARG 71 2HB ARG 71 8.368 -7.427 10.142 536 HG2 ARG 71 1HG ARG 71 5.680 -8.463 9.206 537 HG3 ARG 71 2HG ARG 71 7.281 -8.953 8.600 538 HD2 ARG 71 1HD ARG 71 7.846 -9.721 10.872 539 HD3 ARG 71 2HD ARG 71 6.181 -9.345 11.372 540 HE ARG 71 HE ARG 71 6.258 -11.055 9.061 541 HH11 ARG 71 1HH1 ARG 71 6.562 -11.010 12.560 542 HH12 ARG 71 2HH1 ARG 71 6.069 -12.678 12.750 543 HH21 ARG 71 1HH2 ARG 71 5.620 -13.219 9.320 544 HH22 ARG 71 2HH2 ARG 71 5.536 -13.929 10.916 545 H LEU 72 H LEU 72 6.502 -4.283 10.275 546 HA LEU 72 HA LEU 72 8.901 -3.203 11.445 547 HB2 LEU 72 1HB LEU 72 6.372 -1.913 10.352 548 HB3 LEU 72 2HB LEU 72 7.766 -0.984 10.911 549 HG LEU 72 HG LEU 72 7.858 -3.000 8.640 550 HD11 LEU 72 1HD1 LEU 72 7.899 -1.030 7.176 551 HD12 LEU 72 2HD1 LEU 72 6.381 -1.131 8.099 552 HD13 LEU 72 3HD1 LEU 72 7.645 0.024 8.586 553 HD21 LEU 72 1HD2 LEU 72 10.026 -1.906 8.180 554 HD22 LEU 72 2HD2 LEU 72 9.803 -0.863 9.605 555 HD23 LEU 72 3HD2 LEU 72 10.002 -2.620 9.811 556 H GLN 73 H GLN 73 5.505 -3.183 12.477 557 HA GLN 73 HA GLN 73 6.041 -1.620 14.869 558 HB2 GLN 73 1HB GLN 73 3.729 -3.461 14.121 559 HB3 GLN 73 2HB GLN 73 3.769 -2.453 15.561 560 HG2 GLN 73 1HG GLN 73 3.849 -1.464 12.703 561 HG3 GLN 73 2HG GLN 73 2.446 -1.426 13.808 562 HE21 GLN 73 1HE2 GLN 73 4.683 1.766 13.642 563 HE22 GLN 73 2HE2 GLN 73 4.365 0.616 12.386 564 H GLU 74 H GLU 74 6.184 -5.017 14.048 565 HA GLU 74 HA GLU 74 6.213 -6.031 16.746 566 HB2 GLU 74 1HB GLU 74 5.836 -7.425 14.688 567 HB3 GLU 74 2HB GLU 74 7.520 -7.182 14.245 568 HG2 GLU 74 1HG GLU 74 8.242 -8.331 16.285 569 HG3 GLU 74 2HG GLU 74 6.561 -8.542 16.773 Start of MODEL 8 1 H1 ILE 8 1H ILE 8 0.433 -1.742 -2.772 2 H2 ILE 8 2H ILE 8 0.367 -1.885 -1.147 3 H3 ILE 8 3H ILE 8 0.098 -0.436 -1.851 4 HA ILE 8 HA ILE 8 2.481 -1.412 -0.919 5 HB ILE 8 HB ILE 8 3.858 -1.269 -2.968 6 HG12 ILE 8 1HG1 ILE 8 1.262 -1.084 -4.513 7 HG13 ILE 8 2HG1 ILE 8 2.312 0.282 -4.168 8 HG21 ILE 8 1HG2 ILE 8 3.166 -3.361 -4.066 9 HG22 ILE 8 2HG2 ILE 8 3.035 -3.494 -2.297 10 HG23 ILE 8 3HG2 ILE 8 1.573 -3.251 -3.281 11 HD11 ILE 8 1HD1 ILE 8 2.693 -0.572 -6.412 12 HD12 ILE 8 2HD1 ILE 8 4.142 -0.796 -5.403 13 HD13 ILE 8 3HD1 ILE 8 3.078 -2.179 -5.754 14 H GLY 9 H GLY 9 0.472 0.895 -2.500 15 HA2 GLY 9 1HA GLY 9 2.177 3.149 -2.492 16 HA3 GLY 9 2HA GLY 9 0.414 3.193 -2.260 17 H TRP 10 H TRP 10 0.280 1.664 0.127 18 HA TRP 10 HA TRP 10 0.772 3.561 2.176 19 HB2 TRP 10 1HB TRP 10 -0.752 1.658 2.482 20 HB3 TRP 10 2HB TRP 10 0.580 0.523 2.317 21 HD1 TRP 10 HD1 TRP 10 1.801 3.345 4.358 22 HE1 TRP 10 HE1 TRP 10 1.736 2.775 6.880 23 HE3 TRP 10 HE3 TRP 10 -1.147 -0.847 4.143 24 HZ2 TRP 10 HZ2 TRP 10 0.575 0.804 8.534 25 HZ3 TRP 10 HZ3 TRP 10 -1.696 -2.029 6.232 26 HH2 TRP 10 HH2 TRP 10 -0.855 -1.221 8.397 27 H LEU 11 H LEU 11 2.757 0.762 1.194 28 HA LEU 11 HA LEU 11 4.782 1.230 3.189 29 HB2 LEU 11 1HB LEU 11 4.890 -0.222 0.512 30 HB3 LEU 11 2HB LEU 11 6.165 -0.276 1.734 31 HG LEU 11 HG LEU 11 3.334 -1.308 2.126 32 HD11 LEU 11 1HD1 LEU 11 4.375 -3.526 1.976 33 HD12 LEU 11 2HD1 LEU 11 4.565 -2.606 0.465 34 HD13 LEU 11 3HD1 LEU 11 5.936 -2.767 1.588 35 HD21 LEU 11 1HD2 LEU 11 4.298 -2.310 4.170 36 HD22 LEU 11 2HD2 LEU 11 5.860 -1.533 3.815 37 HD23 LEU 11 3HD2 LEU 11 4.437 -0.535 4.200 38 H GLN 12 H GLN 12 4.389 2.325 -0.150 39 HA GLN 12 HA GLN 12 6.971 3.539 -0.410 40 HB2 GLN 12 1HB GLN 12 4.284 4.183 -1.689 41 HB3 GLN 12 2HB GLN 12 5.783 4.985 -2.136 42 HG2 GLN 12 1HG GLN 12 6.740 2.911 -2.907 43 HG3 GLN 12 2HG GLN 12 5.321 2.001 -2.316 44 HE21 GLN 12 1HE2 GLN 12 4.826 2.373 -5.924 45 HE22 GLN 12 2HE2 GLN 12 5.889 1.533 -4.843 46 H GLU 13 H GLU 13 3.852 4.911 0.650 47 HA GLU 13 HA GLU 13 4.911 7.519 1.243 48 HB2 GLU 13 1HB GLU 13 2.496 6.004 2.314 49 HB3 GLU 13 2HB GLU 13 2.852 7.675 2.727 50 HG2 GLU 13 1HG GLU 13 2.603 8.362 0.425 51 HG3 GLU 13 2HG GLU 13 2.432 6.689 -0.100 52 H MET 14 H MET 14 4.467 4.619 3.259 53 HA MET 14 HA MET 14 5.413 5.668 5.711 54 HB2 MET 14 1HB MET 14 4.465 3.429 5.543 55 HB3 MET 14 2HB MET 14 5.767 2.910 4.482 56 HG2 MET 14 1HG MET 14 7.365 3.401 6.405 57 HG3 MET 14 2HG MET 14 5.936 3.590 7.423 58 HE1 MET 14 1HE MET 14 7.189 -0.337 5.324 59 HE2 MET 14 2HE MET 14 6.632 1.092 4.419 60 HE3 MET 14 3HE MET 14 8.158 1.156 5.334 61 H CYS 15 H CYS 15 7.311 4.184 3.072 62 HA CYS 15 HA CYS 15 9.899 4.373 4.288 63 HB2 CYS 15 1HB CYS 15 9.066 4.321 1.434 64 HB3 CYS 15 2HB CYS 15 10.736 4.358 1.982 65 HG CYS 15 HG CYS 15 10.576 2.231 3.468 66 H MET 16 H MET 16 8.174 6.606 2.066 67 HA MET 16 HA MET 16 10.266 8.549 1.894 68 HB2 MET 16 1HB MET 16 7.261 8.743 1.523 69 HB3 MET 16 2HB MET 16 8.348 10.095 1.237 70 HG2 MET 16 1HG MET 16 9.572 8.620 -0.426 71 HG3 MET 16 2HG MET 16 8.257 7.458 -0.243 72 HE1 MET 16 1HE MET 16 5.197 9.220 -1.768 73 HE2 MET 16 2HE MET 16 5.920 7.678 -1.250 74 HE3 MET 16 3HE MET 16 5.622 8.966 -0.058 75 H GLN 17 H GLN 17 7.488 8.302 4.101 76 HA GLN 17 HA GLN 17 8.037 10.823 5.409 77 HB2 GLN 17 1HB GLN 17 6.410 8.383 6.222 78 HB3 GLN 17 2HB GLN 17 6.515 9.835 7.206 79 HG2 GLN 17 1HG GLN 17 5.503 11.161 5.446 80 HG3 GLN 17 2HG GLN 17 5.482 9.740 4.364 81 HE21 GLN 17 1HE2 GLN 17 2.085 10.013 5.696 82 HE22 GLN 17 2HE2 GLN 17 3.129 10.885 4.623 83 H ARG 18 H ARG 18 9.090 7.508 5.951 84 HA ARG 18 HA ARG 18 10.349 8.300 8.528 85 HB2 ARG 18 1HB ARG 18 10.034 5.621 7.122 86 HB3 ARG 18 2HB ARG 18 10.904 5.839 8.633 87 HG2 ARG 18 1HG ARG 18 8.825 6.633 9.708 88 HG3 ARG 18 2HG ARG 18 7.954 6.355 8.180 89 HD2 ARG 18 1HD ARG 18 8.634 3.993 8.277 90 HD3 ARG 18 2HD ARG 18 9.370 4.306 9.866 91 HE ARG 18 HE ARG 18 6.532 4.101 9.228 92 HH11 ARG 18 1HH1 ARG 18 8.952 5.148 11.549 93 HH12 ARG 18 2HH1 ARG 18 7.847 5.116 12.905 94 HH21 ARG 18 1HH2 ARG 18 5.107 4.064 10.995 95 HH22 ARG 18 2HH2 ARG 18 5.670 4.503 12.592 96 H ARG 19 H ARG 19 11.163 8.607 5.403 97 HA ARG 19 HA ARG 19 13.194 8.886 4.309 98 HB2 ARG 19 1HB ARG 19 14.248 9.020 7.162 99 HB3 ARG 19 2HB ARG 19 15.150 9.483 5.728 100 HG2 ARG 19 1HG ARG 19 13.523 11.277 5.279 101 HG3 ARG 19 2HG ARG 19 12.627 10.814 6.746 102 HD2 ARG 19 1HD ARG 19 14.697 11.216 8.046 103 HD3 ARG 19 2HD ARG 19 15.443 11.850 6.562 104 HE ARG 19 HE ARG 19 13.006 13.196 6.940 105 HH11 ARG 19 1HH1 ARG 19 16.133 12.881 8.508 106 HH12 ARG 19 2HH1 ARG 19 16.088 14.486 9.201 107 HH21 ARG 19 1HH2 ARG 19 12.958 15.278 7.845 108 HH22 ARG 19 2HH2 ARG 19 14.291 15.844 8.826 109 H TRP 20 H TRP 20 12.268 6.241 4.695 110 HA TRP 20 HA TRP 20 14.748 4.674 5.179 111 HB2 TRP 20 1HB TRP 20 11.860 3.920 4.593 112 HB3 TRP 20 2HB TRP 20 13.161 2.738 4.613 113 HD1 TRP 20 HD1 TRP 20 14.249 4.888 7.251 114 HE1 TRP 20 HE1 TRP 20 13.404 4.143 9.579 115 HE3 TRP 20 HE3 TRP 20 10.515 1.708 5.753 116 HZ2 TRP 20 HZ2 TRP 20 11.410 2.433 10.615 117 HZ3 TRP 20 HZ3 TRP 20 9.177 0.546 7.463 118 HH2 TRP 20 HH2 TRP 20 9.610 0.901 9.858 119 HA PRO 21 HA PRO 21 15.978 4.073 0.988 120 HB2 PRO 21 1HB PRO 21 15.754 1.108 1.628 121 HB3 PRO 21 2HB PRO 21 17.135 1.983 0.955 122 HG2 PRO 21 1HG PRO 21 17.243 1.225 3.504 123 HG3 PRO 21 2HG PRO 21 17.805 2.842 3.071 124 HD2 PRO 21 1HD PRO 21 15.139 2.000 4.280 125 HD3 PRO 21 2HD PRO 21 16.197 3.400 4.719 126 HA PRO 22 HA PRO 22 12.414 3.455 -1.411 127 HB2 PRO 22 1HB PRO 22 14.323 1.930 -3.240 128 HB3 PRO 22 2HB PRO 22 13.200 3.227 -3.666 129 HG2 PRO 22 1HG PRO 22 15.789 3.812 -3.500 130 HG3 PRO 22 2HG PRO 22 14.618 4.933 -2.798 131 HD2 PRO 22 1HD PRO 22 16.356 2.857 -1.414 132 HD3 PRO 22 2HD PRO 22 15.945 4.539 -0.887 133 HA PRO 23 HA PRO 23 11.234 -0.595 -0.268 134 HB2 PRO 23 1HB PRO 23 8.629 -0.433 -1.069 135 HB3 PRO 23 2HB PRO 23 9.181 0.534 0.304 136 HG2 PRO 23 1HG PRO 23 8.840 1.372 -2.608 137 HG3 PRO 23 2HG PRO 23 8.261 2.199 -1.159 138 HD2 PRO 23 1HD PRO 23 10.585 2.935 -2.386 139 HD3 PRO 23 2HD PRO 23 10.394 3.021 -0.588 140 H SER 24 H SER 24 10.793 -2.562 -1.119 141 HA SER 24 HA SER 24 10.830 -2.741 -4.151 142 HB2 SER 24 1HB SER 24 12.106 -4.562 -2.182 143 HB3 SER 24 2HB SER 24 11.968 -4.812 -3.915 144 HG SER 24 HG SER 24 13.919 -3.868 -3.317 145 H TYR 25 H TYR 25 9.610 -4.406 -5.069 146 HA TYR 25 HA TYR 25 7.964 -6.178 -3.420 147 HB2 TYR 25 1HB TYR 25 5.803 -5.338 -4.127 148 HB3 TYR 25 2HB TYR 25 6.670 -4.056 -3.292 149 HD1 TYR 25 HD1 TYR 25 5.301 -5.197 -6.481 150 HD2 TYR 25 HD2 TYR 25 7.567 -2.130 -4.515 151 HE1 TYR 25 HE1 TYR 25 4.963 -3.704 -8.421 152 HE2 TYR 25 HE2 TYR 25 7.229 -0.636 -6.455 153 HH TYR 25 HH TYR 25 5.369 -1.702 -9.295 154 H GLU 26 H GLU 26 6.435 -7.460 -4.792 155 HA GLU 26 HA GLU 26 7.251 -7.682 -7.630 156 HB2 GLU 26 1HB GLU 26 8.897 -9.093 -6.388 157 HB3 GLU 26 2HB GLU 26 7.569 -9.985 -5.658 158 HG2 GLU 26 1HG GLU 26 6.874 -10.815 -7.835 159 HG3 GLU 26 2HG GLU 26 8.110 -9.843 -8.631 160 H THR 27 H THR 27 5.683 -8.306 -8.921 161 HA THR 27 HA THR 27 3.081 -8.951 -7.585 162 HB THR 27 HB THR 27 3.656 -7.730 -10.322 163 HG1 THR 27 HG1 THR 27 2.683 -5.885 -9.306 164 HG21 THR 27 1HG2 THR 27 1.216 -7.409 -10.436 165 HG22 THR 27 2HG2 THR 27 1.626 -9.137 -10.318 166 HG23 THR 27 3HG2 THR 27 1.027 -8.264 -8.888 167 H GLU 28 H GLU 28 2.423 -10.939 -7.631 168 HA GLU 28 HA GLU 28 2.977 -12.541 -10.110 169 HB2 GLU 28 1HB GLU 28 2.325 -13.458 -7.276 170 HB3 GLU 28 2HB GLU 28 2.466 -14.526 -8.665 171 HG2 GLU 28 1HG GLU 28 4.824 -13.867 -8.935 172 HG3 GLU 28 2HG GLU 28 4.682 -12.798 -7.542 173 H THR 29 H THR 29 1.396 -12.959 -11.424 174 HA THR 29 HA THR 29 -1.384 -12.378 -10.452 175 HB THR 29 HB THR 29 -1.918 -11.675 -12.732 176 HG1 THR 29 HG1 THR 29 -0.204 -11.616 -14.294 177 HG21 THR 29 1HG2 THR 29 -0.487 -9.678 -12.911 178 HG22 THR 29 2HG2 THR 29 -0.958 -9.973 -11.221 179 HG23 THR 29 3HG2 THR 29 0.675 -10.403 -11.777 180 H GLU 30 H GLU 30 -3.125 -13.515 -11.432 181 HA GLU 30 HA GLU 30 -4.179 -15.518 -11.980 182 HB2 GLU 30 1HB GLU 30 -1.783 -15.742 -13.852 183 HB3 GLU 30 2HB GLU 30 -3.259 -16.690 -13.970 184 HG2 GLU 30 1HG GLU 30 -4.552 -14.647 -14.394 185 HG3 GLU 30 2HG GLU 30 -3.085 -13.682 -14.249 186 H VAL 31 H VAL 31 -2.981 -15.784 -9.639 187 HA VAL 31 HA VAL 31 -1.773 -18.546 -9.783 188 HB VAL 31 HB VAL 31 -0.782 -18.057 -7.588 189 HG11 VAL 31 1HG1 VAL 31 0.854 -16.353 -8.228 190 HG12 VAL 31 2HG1 VAL 31 0.538 -17.503 -9.549 191 HG13 VAL 31 3HG1 VAL 31 -0.180 -15.875 -9.595 192 HG21 VAL 31 1HG2 VAL 31 -0.942 -15.789 -6.612 193 HG22 VAL 31 2HG2 VAL 31 -2.035 -15.301 -7.930 194 HG23 VAL 31 3HG2 VAL 31 -2.548 -16.540 -6.760 195 H GLY 32 H GLY 32 -2.100 -19.633 -7.532 196 HA2 GLY 32 1HA GLY 32 -3.656 -20.342 -5.893 197 HA3 GLY 32 2HA GLY 32 -4.893 -19.291 -6.622 198 H LEU 33 H LEU 33 -6.487 -20.833 -6.793 199 HA LEU 33 HA LEU 33 -5.968 -23.448 -7.988 200 HB2 LEU 33 1HB LEU 33 -8.569 -21.985 -7.372 201 HB3 LEU 33 2HB LEU 33 -8.448 -23.675 -7.870 202 HG LEU 33 HG LEU 33 -7.319 -22.524 -5.294 203 HD11 LEU 33 1HD1 LEU 33 -9.153 -23.759 -4.228 204 HD12 LEU 33 2HD1 LEU 33 -9.760 -22.507 -5.336 205 HD13 LEU 33 3HD1 LEU 33 -9.776 -24.217 -5.830 206 HD21 LEU 33 1HD2 LEU 33 -6.973 -24.903 -4.719 207 HD22 LEU 33 2HD2 LEU 33 -7.566 -25.378 -6.329 208 HD23 LEU 33 3HD2 LEU 33 -6.052 -24.455 -6.175 209 HA PRO 34 HA PRO 34 -6.399 -22.721 -12.254 210 HB2 PRO 34 1HB PRO 34 -8.456 -24.971 -12.155 211 HB3 PRO 34 2HB PRO 34 -7.045 -24.821 -13.211 212 HG2 PRO 34 1HG PRO 34 -6.914 -26.529 -11.178 213 HG3 PRO 34 2HG PRO 34 -5.522 -25.494 -11.509 214 HD2 PRO 34 1HD PRO 34 -7.686 -25.181 -9.393 215 HD3 PRO 34 2HD PRO 34 -5.902 -24.916 -9.249 216 H HIS 35 H HIS 35 -9.268 -23.008 -10.253 217 HA HIS 35 HA HIS 35 -10.850 -21.616 -12.368 218 HB2 HIS 35 1HB HIS 35 -11.742 -22.992 -9.797 219 HB3 HIS 35 2HB HIS 35 -12.812 -22.243 -10.973 220 HD2 HIS 35 HD2 HIS 35 -11.421 -25.658 -10.221 221 HE1 HIS 35 HE1 HIS 35 -12.487 -25.730 -14.347 222 H GLU 36 H GLU 36 -9.028 -20.904 -9.667 223 HA GLU 36 HA GLU 36 -10.653 -18.432 -9.148 224 HB2 GLU 36 1HB GLU 36 -8.877 -19.989 -7.220 225 HB3 GLU 36 2HB GLU 36 -9.682 -18.469 -6.856 226 HG2 GLU 36 1HG GLU 36 -11.176 -20.971 -7.652 227 HG3 GLU 36 2HG GLU 36 -10.773 -20.573 -5.984 228 H ARG 37 H ARG 37 -9.719 -16.994 -10.443 229 HA ARG 37 HA ARG 37 -6.819 -16.784 -10.710 230 HB2 ARG 37 1HB ARG 37 -8.413 -16.056 -12.492 231 HB3 ARG 37 2HB ARG 37 -9.020 -14.803 -11.420 232 HG2 ARG 37 1HG ARG 37 -6.841 -13.703 -11.418 233 HG3 ARG 37 2HG ARG 37 -6.175 -14.997 -12.443 234 HD2 ARG 37 1HD ARG 37 -7.771 -14.430 -14.187 235 HD3 ARG 37 2HD ARG 37 -8.420 -13.128 -13.164 236 HE ARG 37 HE ARG 37 -5.655 -12.722 -13.380 237 HH11 ARG 37 1HH1 ARG 37 -8.484 -12.754 -15.464 238 HH12 ARG 37 2HH1 ARG 37 -7.820 -11.594 -16.593 239 HH21 ARG 37 1HH2 ARG 37 -4.804 -11.218 -14.853 240 HH22 ARG 37 2HH2 ARG 37 -5.737 -10.724 -16.248 241 H LEU 38 H LEU 38 -5.920 -16.583 -8.713 242 HA LEU 38 HA LEU 38 -6.692 -14.167 -7.135 243 HB2 LEU 38 1HB LEU 38 -4.854 -16.477 -6.389 244 HB3 LEU 38 2HB LEU 38 -5.417 -15.192 -5.316 245 HG LEU 38 HG LEU 38 -7.161 -17.344 -6.569 246 HD11 LEU 38 1HD1 LEU 38 -7.308 -18.195 -4.271 247 HD12 LEU 38 2HD1 LEU 38 -5.633 -18.211 -4.872 248 HD13 LEU 38 3HD1 LEU 38 -6.159 -16.946 -3.735 249 HD21 LEU 38 1HD2 LEU 38 -8.899 -16.425 -5.071 250 HD22 LEU 38 2HD2 LEU 38 -7.773 -15.151 -4.545 251 HD23 LEU 38 3HD2 LEU 38 -8.340 -15.197 -6.231 252 H PHE 39 H PHE 39 -4.915 -12.999 -6.050 253 HA PHE 39 HA PHE 39 -2.493 -12.822 -7.808 254 HB2 PHE 39 1HB PHE 39 -4.103 -10.500 -6.661 255 HB3 PHE 39 2HB PHE 39 -2.571 -10.351 -7.507 256 HD1 PHE 39 HD1 PHE 39 -6.139 -11.191 -7.872 257 HD2 PHE 39 HD2 PHE 39 -2.439 -10.498 -9.893 258 HE1 PHE 39 HE1 PHE 39 -7.345 -11.039 -10.025 259 HE2 PHE 39 HE2 PHE 39 -3.642 -10.342 -12.047 260 HZ PHE 39 HZ PHE 39 -6.096 -10.614 -12.112 261 H THR 40 H THR 40 -0.595 -12.634 -6.855 262 HA THR 40 HA THR 40 -0.599 -12.335 -3.867 263 HB THR 40 HB THR 40 1.211 -14.095 -5.581 264 HG1 THR 40 HG1 THR 40 0.139 -15.766 -4.380 265 HG21 THR 40 1HG2 THR 40 2.132 -14.839 -3.421 266 HG22 THR 40 2HG2 THR 40 2.384 -13.093 -3.652 267 HG23 THR 40 3HG2 THR 40 1.095 -13.670 -2.571 268 H ILE 41 H ILE 41 0.353 -10.618 -3.160 269 HA ILE 41 HA ILE 41 2.549 -9.408 -4.824 270 HB ILE 41 HB ILE 41 0.687 -8.069 -2.797 271 HG12 ILE 41 1HG1 ILE 41 -0.511 -8.711 -4.834 272 HG13 ILE 41 2HG1 ILE 41 -0.367 -6.968 -4.672 273 HG21 ILE 41 1HG2 ILE 41 1.701 -5.981 -3.620 274 HG22 ILE 41 2HG2 ILE 41 2.931 -7.054 -2.914 275 HG23 ILE 41 3HG2 ILE 41 2.779 -6.918 -4.681 276 HD11 ILE 41 1HD1 ILE 41 0.000 -7.669 -6.971 277 HD12 ILE 41 2HD1 ILE 41 1.483 -6.958 -6.289 278 HD13 ILE 41 3HD1 ILE 41 1.336 -8.724 -6.454 279 H ALA 42 H ALA 42 4.483 -9.606 -4.152 280 HA ALA 42 HA ALA 42 4.933 -9.985 -1.231 281 HB1 ALA 42 1HB ALA 42 7.197 -10.712 -1.889 282 HB2 ALA 42 2HB ALA 42 5.941 -11.670 -2.708 283 HB3 ALA 42 3HB ALA 42 6.802 -10.390 -3.594 284 H CYS 43 H CYS 43 6.156 -8.659 -0.011 285 HA CYS 43 HA CYS 43 7.176 -6.108 -1.303 286 HB2 CYS 43 1HB CYS 43 5.658 -6.316 1.252 287 HB3 CYS 43 2HB CYS 43 6.473 -4.893 0.620 288 HG CYS 43 HG CYS 43 5.122 -4.771 -1.595 289 H SER 44 H SER 44 9.014 -5.237 -0.388 290 HA SER 44 HA SER 44 10.361 -6.759 1.861 291 HB2 SER 44 1HB SER 44 11.267 -7.613 -0.131 292 HB3 SER 44 2HB SER 44 11.617 -5.995 -0.720 293 HG SER 44 HG SER 44 13.381 -6.965 0.281 294 H ILE 45 H ILE 45 10.734 -5.362 3.460 295 HA ILE 45 HA ILE 45 11.572 -2.562 2.774 296 HB ILE 45 HB ILE 45 9.626 -3.399 4.984 297 HG12 ILE 45 1HG1 ILE 45 8.640 -3.414 2.707 298 HG13 ILE 45 2HG1 ILE 45 7.916 -2.240 3.794 299 HG21 ILE 45 1HG2 ILE 45 9.456 -0.982 5.423 300 HG22 ILE 45 2HG2 ILE 45 11.124 -1.557 5.649 301 HG23 ILE 45 3HG2 ILE 45 10.683 -0.665 4.174 302 HD11 ILE 45 1HD1 ILE 45 8.217 -1.306 1.570 303 HD12 ILE 45 2HD1 ILE 45 9.231 -0.445 2.752 304 HD13 ILE 45 3HD1 ILE 45 9.963 -1.634 1.649 305 H LEU 46 H LEU 46 13.356 -1.925 3.596 306 HA LEU 46 HA LEU 46 15.352 -2.042 4.778 307 HB2 LEU 46 1HB LEU 46 13.483 -3.006 6.982 308 HB3 LEU 46 2HB LEU 46 15.141 -2.445 7.220 309 HG LEU 46 HG LEU 46 12.860 -0.726 6.180 310 HD11 LEU 46 1HD1 LEU 46 12.932 0.307 8.406 311 HD12 LEU 46 2HD1 LEU 46 12.501 -1.417 8.494 312 HD13 LEU 46 3HD1 LEU 46 14.146 -0.888 8.921 313 HD21 LEU 46 1HD2 LEU 46 14.460 1.114 6.586 314 HD22 LEU 46 2HD2 LEU 46 15.697 -0.069 7.075 315 HD23 LEU 46 3HD2 LEU 46 15.104 -0.044 5.397 316 H ASN 47 H ASN 47 14.868 -4.302 7.123 317 HA ASN 47 HA ASN 47 16.225 -6.399 5.464 318 HB2 ASN 47 1HB ASN 47 16.270 -5.901 8.453 319 HB3 ASN 47 2HB ASN 47 17.023 -7.272 7.651 320 HD21 ASN 47 1HD2 ASN 47 18.971 -3.815 7.965 321 HD22 ASN 47 2HD2 ASN 47 17.515 -4.209 8.817 322 H TYR 48 H TYR 48 13.311 -5.889 5.628 323 HA TYR 48 HA TYR 48 12.516 -8.571 6.714 324 HB2 TYR 48 1HB TYR 48 10.935 -5.973 6.859 325 HB3 TYR 48 2HB TYR 48 10.336 -7.557 7.333 326 HD1 TYR 48 HD1 TYR 48 12.669 -4.834 8.177 327 HD2 TYR 48 HD2 TYR 48 11.004 -8.596 9.397 328 HE1 TYR 48 HE1 TYR 48 13.565 -4.493 10.455 329 HE2 TYR 48 HE2 TYR 48 11.900 -8.254 11.675 330 HH TYR 48 HH TYR 48 13.749 -5.330 12.505 331 H ARG 49 H ARG 49 10.789 -9.619 5.708 332 HA ARG 49 HA ARG 49 9.801 -8.498 3.150 333 HB2 ARG 49 1HB ARG 49 11.930 -9.759 2.623 334 HB3 ARG 49 2HB ARG 49 11.184 -11.205 3.286 335 HG2 ARG 49 1HG ARG 49 9.466 -11.157 1.561 336 HG3 ARG 49 2HG ARG 49 10.134 -9.638 0.916 337 HD2 ARG 49 1HD ARG 49 12.187 -10.732 0.352 338 HD3 ARG 49 2HD ARG 49 11.628 -12.241 1.109 339 HE ARG 49 HE ARG 49 9.697 -11.657 -0.760 340 HH11 ARG 49 1HH1 ARG 49 13.181 -12.107 -0.837 341 HH12 ARG 49 2HH1 ARG 49 13.190 -12.730 -2.471 342 HH21 ARG 49 1HH2 ARG 49 9.722 -12.467 -2.881 343 HH22 ARG 49 2HH2 ARG 49 11.233 -12.934 -3.630 344 H GLU 50 H GLU 50 7.814 -9.087 2.641 345 HA GLU 50 HA GLU 50 6.590 -11.527 3.675 346 HB2 GLU 50 1HB GLU 50 6.531 -9.979 5.680 347 HB3 GLU 50 2HB GLU 50 5.569 -8.857 4.729 348 HG2 GLU 50 1HG GLU 50 4.187 -10.204 6.217 349 HG3 GLU 50 2HG GLU 50 3.783 -10.487 4.525 350 H MET 51 H MET 51 4.445 -11.868 2.937 351 HA MET 51 HA MET 51 3.691 -10.141 0.616 352 HB2 MET 51 1HB MET 51 3.488 -12.070 -0.832 353 HB3 MET 51 2HB MET 51 5.133 -11.991 -0.218 354 HG2 MET 51 1HG MET 51 4.547 -13.726 1.474 355 HG3 MET 51 2HG MET 51 2.938 -13.841 0.756 356 HE1 MET 51 1HE MET 51 6.894 -15.177 -1.216 357 HE2 MET 51 2HE MET 51 6.590 -13.476 -0.784 358 HE3 MET 51 3HE MET 51 6.698 -14.714 0.491 359 H GLY 52 H GLY 52 1.564 -10.503 -0.203 360 HA2 GLY 52 1HA GLY 52 -0.246 -12.025 1.594 361 HA3 GLY 52 2HA GLY 52 -0.563 -10.292 1.346 362 H LYS 53 H LYS 53 -2.174 -12.682 0.636 363 HA LYS 53 HA LYS 53 -2.273 -12.304 -2.341 364 HB2 LYS 53 1HB LYS 53 -1.508 -14.561 -1.850 365 HB3 LYS 53 2HB LYS 53 -2.800 -14.798 -0.681 366 HG2 LYS 53 1HG LYS 53 -4.468 -14.857 -2.392 367 HG3 LYS 53 2HG LYS 53 -3.327 -14.283 -3.617 368 HD2 LYS 53 1HD LYS 53 -3.523 -16.631 -3.958 369 HD3 LYS 53 2HD LYS 53 -1.961 -16.388 -3.161 370 HE2 LYS 53 1HE LYS 53 -2.933 -17.005 -0.998 371 HE3 LYS 53 2HE LYS 53 -4.531 -17.161 -1.731 372 HZ1 LYS 53 1HZ LYS 53 -3.465 -19.280 -1.484 373 HZ2 LYS 53 2HZ LYS 53 -3.672 -18.945 -3.086 374 HZ3 LYS 53 3HZ LYS 53 -2.179 -18.801 -2.400 375 H GLY 54 H GLY 54 -4.161 -11.930 -3.307 376 HA2 GLY 54 1HA GLY 54 -6.621 -11.966 -1.633 377 HA3 GLY 54 2HA GLY 54 -6.138 -10.446 -2.422 378 H LYS 55 H LYS 55 -8.518 -11.147 -3.149 379 HA LYS 55 HA LYS 55 -8.542 -13.019 -5.414 380 HB2 LYS 55 1HB LYS 55 -10.621 -11.101 -4.294 381 HB3 LYS 55 2HB LYS 55 -10.904 -12.154 -5.673 382 HG2 LYS 55 1HG LYS 55 -10.478 -14.131 -4.238 383 HG3 LYS 55 2HG LYS 55 -10.244 -13.054 -2.854 384 HD2 LYS 55 1HD LYS 55 -12.542 -12.204 -3.104 385 HD3 LYS 55 2HD LYS 55 -12.781 -13.236 -4.522 386 HE2 LYS 55 1HE LYS 55 -12.381 -15.242 -3.104 387 HE3 LYS 55 2HE LYS 55 -12.205 -14.195 -1.694 388 HZ1 LYS 55 1HZ LYS 55 -14.409 -15.091 -1.857 389 HZ2 LYS 55 2HZ LYS 55 -14.461 -13.452 -2.036 390 HZ3 LYS 55 3HZ LYS 55 -14.626 -14.431 -3.353 391 H SER 56 H SER 56 -8.144 -9.587 -4.922 392 HA SER 56 HA SER 56 -7.846 -9.250 -7.926 393 HB2 SER 56 1HB SER 56 -8.763 -7.228 -5.952 394 HB3 SER 56 2HB SER 56 -8.429 -6.977 -7.658 395 HG SER 56 HG SER 56 -10.602 -7.375 -7.237 396 H LYS 57 H LYS 57 -6.193 -7.809 -8.585 397 HA LYS 57 HA LYS 57 -3.696 -8.099 -7.248 398 HB2 LYS 57 1HB LYS 57 -4.033 -7.549 -9.690 399 HB3 LYS 57 2HB LYS 57 -4.486 -5.918 -9.217 400 HG2 LYS 57 1HG LYS 57 -2.246 -5.611 -8.188 401 HG3 LYS 57 2HG LYS 57 -1.797 -7.233 -8.735 402 HD2 LYS 57 1HD LYS 57 -2.752 -5.040 -10.608 403 HD3 LYS 57 2HD LYS 57 -1.047 -5.341 -10.242 404 HE2 LYS 57 1HE LYS 57 -1.309 -7.678 -11.064 405 HE3 LYS 57 2HE LYS 57 -2.987 -7.326 -11.484 406 HZ1 LYS 57 1HZ LYS 57 -1.543 -7.113 -13.370 407 HZ2 LYS 57 2HZ LYS 57 -2.195 -5.643 -13.000 408 HZ3 LYS 57 3HZ LYS 57 -0.627 -5.972 -12.609 409 H LYS 58 H LYS 58 -5.954 -5.341 -7.298 410 HA LYS 58 HA LYS 58 -4.340 -3.635 -5.648 411 HB2 LYS 58 1HB LYS 58 -7.340 -3.745 -6.134 412 HB3 LYS 58 2HB LYS 58 -6.558 -2.490 -5.183 413 HG2 LYS 58 1HG LYS 58 -5.235 -1.813 -7.154 414 HG3 LYS 58 2HG LYS 58 -6.025 -3.075 -8.110 415 HD2 LYS 58 1HD LYS 58 -8.227 -2.018 -7.673 416 HD3 LYS 58 2HD LYS 58 -7.423 -0.748 -6.739 417 HE2 LYS 58 1HE LYS 58 -6.153 -0.064 -8.737 418 HE3 LYS 58 2HE LYS 58 -6.915 -1.350 -9.676 419 HZ1 LYS 58 1HZ LYS 58 -7.992 0.751 -10.020 420 HZ2 LYS 58 2HZ LYS 58 -9.036 -0.296 -9.288 421 HZ3 LYS 58 3HZ LYS 58 -8.323 0.906 -8.412 422 H ILE 59 H ILE 59 -6.905 -5.966 -4.840 423 HA ILE 59 HA ILE 59 -6.861 -5.505 -2.000 424 HB ILE 59 HB ILE 59 -7.536 -7.984 -3.657 425 HG12 ILE 59 1HG1 ILE 59 -9.373 -6.053 -2.229 426 HG13 ILE 59 2HG1 ILE 59 -8.966 -5.941 -3.934 427 HG21 ILE 59 1HG2 ILE 59 -8.590 -8.860 -1.612 428 HG22 ILE 59 2HG2 ILE 59 -6.840 -8.632 -1.383 429 HG23 ILE 59 3HG2 ILE 59 -7.987 -7.457 -0.697 430 HD11 ILE 59 1HD1 ILE 59 -11.107 -7.048 -3.614 431 HD12 ILE 59 2HD1 ILE 59 -9.921 -8.171 -4.321 432 HD13 ILE 59 3HD1 ILE 59 -10.335 -8.284 -2.594 433 H ALA 60 H ALA 60 -4.968 -7.719 -4.025 434 HA ALA 60 HA ALA 60 -3.611 -8.947 -1.825 435 HB1 ALA 60 1HB ALA 60 -1.986 -9.691 -3.526 436 HB2 ALA 60 2HB ALA 60 -3.661 -9.938 -4.072 437 HB3 ALA 60 3HB ALA 60 -2.711 -8.573 -4.704 438 H LYS 61 H LYS 61 -2.873 -6.090 -3.794 439 HA LYS 61 HA LYS 61 -0.302 -5.542 -2.649 440 HB2 LYS 61 1HB LYS 61 -2.414 -3.768 -3.920 441 HB3 LYS 61 2HB LYS 61 -0.875 -3.141 -3.346 442 HG2 LYS 61 1HG LYS 61 0.317 -4.658 -4.898 443 HG3 LYS 61 2HG LYS 61 -1.240 -5.256 -5.488 444 HD2 LYS 61 1HD LYS 61 -1.848 -3.002 -6.253 445 HD3 LYS 61 2HD LYS 61 -0.333 -2.356 -5.603 446 HE2 LYS 61 1HE LYS 61 0.956 -3.765 -7.153 447 HE3 LYS 61 2HE LYS 61 -0.536 -4.472 -7.778 448 HZ1 LYS 61 1HZ LYS 61 0.272 -2.728 -9.190 449 HZ2 LYS 61 2HZ LYS 61 -1.181 -2.291 -8.543 450 HZ3 LYS 61 3HZ LYS 61 0.214 -1.630 -7.960 451 H ARG 62 H ARG 62 -3.571 -4.514 -1.691 452 HA ARG 62 HA ARG 62 -2.705 -2.888 0.519 453 HB2 ARG 62 1HB ARG 62 -5.306 -4.358 -0.043 454 HB3 ARG 62 2HB ARG 62 -5.074 -3.307 1.345 455 HG2 ARG 62 1HG ARG 62 -4.726 -1.389 -0.103 456 HG3 ARG 62 2HG ARG 62 -4.825 -2.431 -1.544 457 HD2 ARG 62 1HD ARG 62 -7.108 -3.024 -0.946 458 HD3 ARG 62 2HD ARG 62 -7.006 -1.959 0.475 459 HE ARG 62 HE ARG 62 -6.320 -0.428 -1.770 460 HH11 ARG 62 1HH1 ARG 62 -9.109 -2.153 -0.510 461 HH12 ARG 62 2HH1 ARG 62 -10.269 -1.090 -1.276 462 HH21 ARG 62 1HH2 ARG 62 -7.835 0.945 -2.758 463 HH22 ARG 62 2HH2 ARG 62 -9.549 0.663 -2.548 464 H LEU 63 H LEU 63 -3.689 -6.304 0.316 465 HA LEU 63 HA LEU 63 -3.352 -6.819 3.133 466 HB2 LEU 63 1HB LEU 63 -3.263 -8.635 0.691 467 HB3 LEU 63 2HB LEU 63 -3.197 -9.226 2.354 468 HG LEU 63 HG LEU 63 -5.520 -7.654 1.185 469 HD11 LEU 63 1HD1 LEU 63 -6.673 -9.821 1.120 470 HD12 LEU 63 2HD1 LEU 63 -5.246 -9.803 0.057 471 HD13 LEU 63 3HD1 LEU 63 -5.174 -10.633 1.629 472 HD21 LEU 63 1HD2 LEU 63 -6.673 -8.448 3.222 473 HD22 LEU 63 2HD2 LEU 63 -5.174 -9.242 3.762 474 HD23 LEU 63 3HD2 LEU 63 -5.246 -7.468 3.635 475 H ALA 64 H ALA 64 -1.152 -6.941 0.374 476 HA ALA 64 HA ALA 64 1.017 -8.172 1.799 477 HB1 ALA 64 1HB ALA 64 2.415 -7.322 -0.047 478 HB2 ALA 64 2HB ALA 64 0.930 -8.092 -0.655 479 HB3 ALA 64 3HB ALA 64 1.058 -6.318 -0.608 480 H ALA 65 H ALA 65 0.114 -4.779 1.239 481 HA ALA 65 HA ALA 65 2.376 -3.641 2.563 482 HB1 ALA 65 1HB ALA 65 0.980 -1.613 2.742 483 HB2 ALA 65 2HB ALA 65 0.883 -2.331 1.116 484 HB3 ALA 65 3HB ALA 65 -0.450 -2.560 2.271 485 H HIS 66 H HIS 66 -0.843 -4.575 3.768 486 HA HIS 66 HA HIS 66 -0.424 -3.734 6.473 487 HB2 HIS 66 1HB HIS 66 -2.658 -4.323 5.603 488 HB3 HIS 66 2HB HIS 66 -2.145 -5.985 5.347 489 HD2 HIS 66 HD2 HIS 66 -2.645 -7.678 7.585 490 HE1 HIS 66 HE1 HIS 66 -3.251 -4.511 10.352 491 H ARG 67 H ARG 67 0.024 -6.941 4.962 492 HA ARG 67 HA ARG 67 1.025 -8.215 7.319 493 HB2 ARG 67 1HB ARG 67 1.382 -8.750 4.356 494 HB3 ARG 67 2HB ARG 67 2.158 -9.750 5.574 495 HG2 ARG 67 1HG ARG 67 -0.830 -9.305 5.384 496 HG3 ARG 67 2HG ARG 67 0.047 -10.698 4.707 497 HD2 ARG 67 1HD ARG 67 -0.173 -9.898 7.597 498 HD3 ARG 67 2HD ARG 67 -0.887 -11.319 6.800 499 HE ARG 67 HE ARG 67 1.873 -11.449 6.377 500 HH11 ARG 67 1HH1 ARG 67 -0.359 -11.504 9.089 501 HH12 ARG 67 2HH1 ARG 67 0.677 -12.502 10.083 502 HH21 ARG 67 1HH2 ARG 67 3.210 -12.745 7.677 503 HH22 ARG 67 2HH2 ARG 67 2.697 -13.205 9.285 504 H MET 68 H MET 68 2.713 -6.512 4.691 505 HA MET 68 HA MET 68 5.369 -6.932 5.633 506 HB2 MET 68 1HB MET 68 4.737 -5.948 3.416 507 HB3 MET 68 2HB MET 68 4.242 -4.476 4.239 508 HG2 MET 68 1HG MET 68 6.405 -4.062 3.392 509 HG3 MET 68 2HG MET 68 6.612 -4.300 5.129 510 HE1 MET 68 1HE MET 68 9.022 -7.090 5.471 511 HE2 MET 68 2HE MET 68 8.702 -5.377 5.840 512 HE3 MET 68 3HE MET 68 7.472 -6.612 6.203 513 H TRP 69 H TRP 69 3.090 -4.285 6.371 514 HA TRP 69 HA TRP 69 4.747 -2.880 8.195 515 HB2 TRP 69 1HB TRP 69 2.569 -2.025 7.368 516 HB3 TRP 69 2HB TRP 69 1.726 -3.285 8.258 517 HD1 TRP 69 HD1 TRP 69 3.739 -0.043 8.842 518 HE1 TRP 69 HE1 TRP 69 3.178 0.875 11.193 519 HE3 TRP 69 HE3 TRP 69 0.887 -3.947 10.553 520 HZ2 TRP 69 HZ2 TRP 69 1.712 0.035 13.455 521 HZ3 TRP 69 HZ3 TRP 69 -0.065 -3.828 12.821 522 HH2 TRP 69 HH2 TRP 69 0.335 -1.870 14.254 523 H MET 70 H MET 70 2.502 -5.580 8.809 524 HA MET 70 HA MET 70 2.953 -5.748 11.623 525 HB2 MET 70 1HB MET 70 2.224 -7.866 9.572 526 HB3 MET 70 2HB MET 70 2.252 -8.158 11.305 527 HG2 MET 70 1HG MET 70 0.495 -6.509 11.655 528 HG3 MET 70 2HG MET 70 0.518 -6.077 9.944 529 HE1 MET 70 1HE MET 70 -0.993 -10.095 11.663 530 HE2 MET 70 2HE MET 70 0.718 -9.608 11.753 531 HE3 MET 70 3HE MET 70 -0.518 -8.685 12.642 532 H ARG 71 H ARG 71 4.642 -7.336 8.917 533 HA ARG 71 HA ARG 71 6.442 -8.849 10.559 534 HB2 ARG 71 1HB ARG 71 6.087 -9.287 8.142 535 HB3 ARG 71 2HB ARG 71 6.824 -7.742 7.748 536 HG2 ARG 71 1HG ARG 71 8.372 -9.583 7.386 537 HG3 ARG 71 2HG ARG 71 8.964 -8.507 8.675 538 HD2 ARG 71 1HD ARG 71 8.151 -10.043 10.351 539 HD3 ARG 71 2HD ARG 71 7.505 -11.108 9.081 540 HE ARG 71 HE ARG 71 10.169 -10.815 8.452 541 HH11 ARG 71 1HH1 ARG 71 8.375 -11.892 11.273 542 HH12 ARG 71 2HH1 ARG 71 9.622 -13.000 11.799 543 HH21 ARG 71 1HH2 ARG 71 11.781 -12.257 9.145 544 HH22 ARG 71 2HH2 ARG 71 11.550 -13.207 10.595 545 H LEU 72 H LEU 72 6.607 -5.555 9.275 546 HA LEU 72 HA LEU 72 9.280 -5.009 10.182 547 HB2 LEU 72 1HB LEU 72 6.863 -3.226 9.700 548 HB3 LEU 72 2HB LEU 72 8.455 -2.599 10.136 549 HG LEU 72 HG LEU 72 7.929 -4.258 7.648 550 HD11 LEU 72 1HD1 LEU 72 7.980 -2.121 6.441 551 HD12 LEU 72 2HD1 LEU 72 6.617 -2.199 7.583 552 HD13 LEU 72 3HD1 LEU 72 8.066 -1.248 7.989 553 HD21 LEU 72 1HD2 LEU 72 10.117 -3.326 6.971 554 HD22 LEU 72 2HD2 LEU 72 10.234 -2.470 8.528 555 HD23 LEU 72 3HD2 LEU 72 10.255 -4.249 8.487 556 H GLN 73 H GLN 73 6.110 -4.660 11.743 557 HA GLN 73 HA GLN 73 7.142 -3.509 14.175 558 HB2 GLN 73 1HB GLN 73 4.614 -5.110 13.604 559 HB3 GLN 73 2HB GLN 73 4.954 -4.334 15.143 560 HG2 GLN 73 1HG GLN 73 4.682 -2.920 12.483 561 HG3 GLN 73 2HG GLN 73 3.449 -3.000 13.773 562 HE21 GLN 73 1HE2 GLN 73 5.825 0.089 13.773 563 HE22 GLN 73 2HE2 GLN 73 5.256 -0.828 12.417 564 H GLU 74 H GLU 74 6.676 -6.838 13.088 565 HA GLU 74 HA GLU 74 7.257 -8.138 15.561 566 HB2 GLU 74 1HB GLU 74 7.709 -8.929 12.661 567 HB3 GLU 74 2HB GLU 74 8.127 -9.992 13.997 568 HG2 GLU 74 1HG GLU 74 5.792 -9.999 14.743 569 HG3 GLU 74 2HG GLU 74 5.361 -8.899 13.436 Start of MODEL 9 1 H1 ILE 8 1H ILE 8 -2.733 0.851 -0.400 2 H2 ILE 8 2H ILE 8 -2.155 0.286 1.019 3 H3 ILE 8 3H ILE 8 -1.847 1.824 0.566 4 HA ILE 8 HA ILE 8 -0.292 -0.384 0.109 5 HB ILE 8 HB ILE 8 -1.527 0.844 -2.408 6 HG12 ILE 8 1HG1 ILE 8 -1.531 -2.048 -1.525 7 HG13 ILE 8 2HG1 ILE 8 -2.865 -0.941 -1.241 8 HG21 ILE 8 1HG2 ILE 8 0.016 -0.639 -3.625 9 HG22 ILE 8 2HG2 ILE 8 0.909 0.521 -2.614 10 HG23 ILE 8 3HG2 ILE 8 0.730 -1.168 -2.083 11 HD11 ILE 8 1HD1 ILE 8 -3.263 -2.307 -3.213 12 HD12 ILE 8 2HD1 ILE 8 -3.107 -0.591 -3.661 13 HD13 ILE 8 3HD1 ILE 8 -1.756 -1.714 -3.949 14 H GLY 9 H GLY 9 -0.889 2.721 -1.550 15 HA2 GLY 9 1HA GLY 9 1.884 3.436 -1.538 16 HA3 GLY 9 2HA GLY 9 0.516 4.539 -1.816 17 H TRP 10 H TRP 10 -0.644 3.677 0.846 18 HA TRP 10 HA TRP 10 0.366 5.727 2.524 19 HB2 TRP 10 1HB TRP 10 -1.809 4.585 2.888 20 HB3 TRP 10 2HB TRP 10 -0.968 3.097 3.296 21 HD1 TRP 10 HD1 TRP 10 -1.659 6.625 4.690 22 HE1 TRP 10 HE1 TRP 10 -1.237 6.615 7.241 23 HE3 TRP 10 HE3 TRP 10 0.310 1.911 5.143 24 HZ2 TRP 10 HZ2 TRP 10 -0.208 4.826 9.168 25 HZ3 TRP 10 HZ3 TRP 10 0.995 1.111 7.369 26 HH2 TRP 10 HH2 TRP 10 0.740 2.540 9.354 27 H LEU 11 H LEU 11 1.320 2.320 2.272 28 HA LEU 11 HA LEU 11 3.159 2.369 4.479 29 HB2 LEU 11 1HB LEU 11 2.300 0.288 3.406 30 HB3 LEU 11 2HB LEU 11 3.197 0.687 1.938 31 HG LEU 11 HG LEU 11 5.326 0.484 3.214 32 HD11 LEU 11 1HD1 LEU 11 5.268 -0.516 5.455 33 HD12 LEU 11 2HD1 LEU 11 4.457 1.067 5.420 34 HD13 LEU 11 3HD1 LEU 11 3.491 -0.428 5.449 35 HD21 LEU 11 1HD2 LEU 11 5.230 -1.978 3.415 36 HD22 LEU 11 2HD2 LEU 11 3.451 -1.912 3.380 37 HD23 LEU 11 3HD2 LEU 11 4.388 -1.422 1.948 38 H GLN 12 H GLN 12 3.605 2.976 1.001 39 HA GLN 12 HA GLN 12 6.418 3.471 1.125 40 HB2 GLN 12 1HB GLN 12 5.163 3.161 -0.999 41 HB3 GLN 12 2HB GLN 12 4.313 4.675 -0.724 42 HG2 GLN 12 1HG GLN 12 6.398 5.920 -0.893 43 HG3 GLN 12 2HG GLN 12 7.301 4.393 -1.102 44 HE21 GLN 12 1HE2 GLN 12 6.969 5.613 -4.491 45 HE22 GLN 12 2HE2 GLN 12 7.888 5.902 -3.051 46 H GLU 13 H GLU 13 3.639 5.620 1.627 47 HA GLU 13 HA GLU 13 5.138 8.037 1.952 48 HB2 GLU 13 1HB GLU 13 2.480 7.118 3.119 49 HB3 GLU 13 2HB GLU 13 3.124 8.737 3.349 50 HG2 GLU 13 1HG GLU 13 3.020 9.189 0.986 51 HG3 GLU 13 2HG GLU 13 2.591 7.517 0.635 52 H MET 14 H MET 14 4.078 5.623 4.356 53 HA MET 14 HA MET 14 5.286 6.952 6.603 54 HB2 MET 14 1HB MET 14 4.598 4.031 6.127 55 HB3 MET 14 2HB MET 14 5.124 4.683 7.671 56 HG2 MET 14 1HG MET 14 2.597 5.420 6.170 57 HG3 MET 14 2HG MET 14 2.716 4.446 7.638 58 HE1 MET 14 1HE MET 14 3.703 7.012 10.366 59 HE2 MET 14 2HE MET 14 3.128 5.363 10.019 60 HE3 MET 14 3HE MET 14 4.747 5.872 9.483 61 H CYS 15 H CYS 15 6.509 4.544 4.308 62 HA CYS 15 HA CYS 15 9.051 3.971 5.492 63 HB2 CYS 15 1HB CYS 15 8.198 4.060 2.644 64 HB3 CYS 15 2HB CYS 15 9.793 3.570 3.196 65 HG CYS 15 HG CYS 15 8.968 1.679 4.769 66 H MET 16 H MET 16 8.112 6.488 3.105 67 HA MET 16 HA MET 16 10.679 7.741 2.948 68 HB2 MET 16 1HB MET 16 7.870 8.783 2.460 69 HB3 MET 16 2HB MET 16 9.314 9.737 2.154 70 HG2 MET 16 1HG MET 16 10.081 7.897 0.593 71 HG3 MET 16 2HG MET 16 8.487 7.165 0.790 72 HE1 MET 16 1HE MET 16 6.078 9.642 -0.901 73 HE2 MET 16 2HE MET 16 6.324 7.986 -0.292 74 HE3 MET 16 3HE MET 16 6.388 9.367 0.830 75 H GLN 17 H GLN 17 7.908 8.348 5.085 76 HA GLN 17 HA GLN 17 9.080 10.603 6.430 77 HB2 GLN 17 1HB GLN 17 6.989 8.564 7.287 78 HB3 GLN 17 2HB GLN 17 7.452 9.938 8.280 79 HG2 GLN 17 1HG GLN 17 6.696 11.485 6.561 80 HG3 GLN 17 2HG GLN 17 6.289 10.113 5.492 81 HE21 GLN 17 1HE2 GLN 17 3.097 11.071 6.934 82 HE22 GLN 17 2HE2 GLN 17 4.238 11.631 5.757 83 H ARG 18 H ARG 18 9.441 7.134 6.827 84 HA ARG 18 HA ARG 18 11.039 7.513 9.296 85 HB2 ARG 18 1HB ARG 18 10.228 5.061 7.691 86 HB3 ARG 18 2HB ARG 18 11.290 4.992 9.089 87 HG2 ARG 18 1HG ARG 18 9.525 5.797 10.539 88 HG3 ARG 18 2HG ARG 18 8.448 6.038 9.142 89 HD2 ARG 18 1HD ARG 18 9.642 3.389 9.908 90 HD3 ARG 18 2HD ARG 18 8.047 3.964 10.447 91 HE ARG 18 HE ARG 18 8.261 4.154 7.611 92 HH11 ARG 18 1HH1 ARG 18 7.881 1.810 10.200 93 HH12 ARG 18 2HH1 ARG 18 7.031 0.655 9.199 94 HH21 ARG 18 1HH2 ARG 18 7.157 2.645 6.321 95 HH22 ARG 18 2HH2 ARG 18 6.621 1.126 7.003 96 H ARG 19 H ARG 19 11.650 8.089 6.183 97 HA ARG 19 HA ARG 19 13.633 8.327 4.995 98 HB2 ARG 19 1HB ARG 19 14.925 7.700 7.679 99 HB3 ARG 19 2HB ARG 19 15.745 8.369 6.276 100 HG2 ARG 19 1HG ARG 19 14.423 10.412 6.434 101 HG3 ARG 19 2HG ARG 19 13.515 9.733 7.807 102 HD2 ARG 19 1HD ARG 19 15.663 9.514 9.022 103 HD3 ARG 19 2HD ARG 19 16.446 10.386 7.684 104 HE ARG 19 HE ARG 19 14.250 11.917 8.538 105 HH11 ARG 19 1HH1 ARG 19 17.345 10.801 9.770 106 HH12 ARG 19 2HH1 ARG 19 17.562 12.178 10.827 107 HH21 ARG 19 1HH2 ARG 19 14.543 13.699 9.915 108 HH22 ARG 19 2HH2 ARG 19 15.977 13.818 10.910 109 H TRP 20 H TRP 20 12.291 5.733 5.230 110 HA TRP 20 HA TRP 20 14.643 3.949 4.709 111 HB2 TRP 20 1HB TRP 20 11.731 3.319 5.347 112 HB3 TRP 20 2HB TRP 20 12.915 2.110 4.870 113 HD1 TRP 20 HD1 TRP 20 15.100 4.026 6.839 114 HE1 TRP 20 HE1 TRP 20 15.141 3.349 9.334 115 HE3 TRP 20 HE3 TRP 20 10.706 1.387 7.010 116 HZ2 TRP 20 HZ2 TRP 20 13.507 1.891 11.117 117 HZ3 TRP 20 HZ3 TRP 20 10.003 0.374 9.142 118 HH2 TRP 20 HH2 TRP 20 11.375 0.620 11.168 119 HA PRO 21 HA PRO 21 13.872 3.751 0.382 120 HB2 PRO 21 1HB PRO 21 14.086 0.747 0.801 121 HB3 PRO 21 2HB PRO 21 14.987 1.764 -0.331 122 HG2 PRO 21 1HG PRO 21 16.245 0.867 1.837 123 HG3 PRO 21 2HG PRO 21 16.487 2.546 1.344 124 HD2 PRO 21 1HD PRO 21 14.662 1.430 3.515 125 HD3 PRO 21 2HD PRO 21 15.755 2.871 3.576 126 HA PRO 22 HA PRO 22 9.554 2.985 0.040 127 HB2 PRO 22 1HB PRO 22 10.416 2.605 -2.856 128 HB3 PRO 22 2HB PRO 22 9.118 3.625 -2.223 129 HG2 PRO 22 1HG PRO 22 11.362 4.803 -3.028 130 HG3 PRO 22 2HG PRO 22 10.614 5.339 -1.520 131 HD2 PRO 22 1HD PRO 22 12.984 3.470 -1.926 132 HD3 PRO 22 2HD PRO 22 12.780 4.807 -0.725 133 HA PRO 23 HA PRO 23 9.316 -1.356 -0.001 134 HB2 PRO 23 1HB PRO 23 6.640 -1.623 -0.660 135 HB3 PRO 23 2HB PRO 23 7.139 -1.069 0.943 136 HG2 PRO 23 1HG PRO 23 6.276 0.582 -1.467 137 HG3 PRO 23 2HG PRO 23 5.749 0.736 0.211 138 HD2 PRO 23 1HD PRO 23 7.664 2.371 -0.772 139 HD3 PRO 23 2HD PRO 23 7.780 1.734 0.918 140 H SER 24 H SER 24 9.666 -2.956 -1.317 141 HA SER 24 HA SER 24 9.419 -2.435 -4.283 142 HB2 SER 24 1HB SER 24 11.610 -2.837 -3.558 143 HB3 SER 24 2HB SER 24 11.128 -4.329 -2.764 144 HG SER 24 HG SER 24 11.956 -4.660 -4.828 145 H TYR 25 H TYR 25 7.657 -3.297 -5.193 146 HA TYR 25 HA TYR 25 6.432 -5.730 -3.961 147 HB2 TYR 25 1HB TYR 25 5.365 -3.657 -5.912 148 HB3 TYR 25 2HB TYR 25 4.507 -5.137 -5.506 149 HD1 TYR 25 HD1 TYR 25 5.588 -1.846 -4.313 150 HD2 TYR 25 HD2 TYR 25 3.524 -5.469 -3.303 151 HE1 TYR 25 HE1 TYR 25 4.595 -0.731 -2.343 152 HE2 TYR 25 HE2 TYR 25 2.530 -4.354 -1.334 153 HH TYR 25 HH TYR 25 3.255 -0.953 -0.585 154 H GLU 26 H GLU 26 6.320 -7.629 -4.917 155 HA GLU 26 HA GLU 26 7.077 -7.783 -7.814 156 HB2 GLU 26 1HB GLU 26 8.942 -8.591 -6.330 157 HB3 GLU 26 2HB GLU 26 7.842 -9.774 -5.637 158 HG2 GLU 26 1HG GLU 26 7.643 -10.936 -7.719 159 HG3 GLU 26 2HG GLU 26 8.488 -9.655 -8.585 160 H THR 27 H THR 27 5.610 -8.622 -9.052 161 HA THR 27 HA THR 27 3.286 -9.942 -7.723 162 HB THR 27 HB THR 27 3.567 -8.733 -10.511 163 HG1 THR 27 HG1 THR 27 2.169 -7.134 -9.577 164 HG21 THR 27 1HG2 THR 27 1.123 -9.021 -10.623 165 HG22 THR 27 2HG2 THR 27 1.940 -10.590 -10.426 166 HG23 THR 27 3HG2 THR 27 1.140 -9.822 -9.035 167 H GLU 28 H GLU 28 2.798 -11.977 -7.937 168 HA GLU 28 HA GLU 28 4.375 -13.602 -9.888 169 HB2 GLU 28 1HB GLU 28 2.677 -14.421 -7.493 170 HB3 GLU 28 2HB GLU 28 3.526 -15.537 -8.552 171 HG2 GLU 28 1HG GLU 28 5.676 -14.531 -7.885 172 HG3 GLU 28 2HG GLU 28 4.819 -13.425 -6.814 173 H THR 29 H THR 29 3.328 -15.318 -11.042 174 HA THR 29 HA THR 29 1.093 -14.352 -12.555 175 HB THR 29 HB THR 29 2.150 -17.204 -12.308 176 HG1 THR 29 HG1 THR 29 3.309 -16.584 -14.220 177 HG21 THR 29 1HG2 THR 29 1.117 -17.508 -14.524 178 HG22 THR 29 2HG2 THR 29 -0.105 -17.065 -13.308 179 HG23 THR 29 3HG2 THR 29 0.485 -15.846 -14.462 180 H GLU 30 H GLU 30 -1.016 -14.579 -12.445 181 HA GLU 30 HA GLU 30 -2.245 -15.260 -9.952 182 HB2 GLU 30 1HB GLU 30 -4.353 -14.992 -11.128 183 HB3 GLU 30 2HB GLU 30 -3.246 -13.738 -11.669 184 HG2 GLU 30 1HG GLU 30 -3.527 -16.299 -13.220 185 HG3 GLU 30 2HG GLU 30 -4.709 -15.003 -13.392 186 H VAL 31 H VAL 31 -3.447 -16.956 -9.250 187 HA VAL 31 HA VAL 31 -3.163 -19.515 -10.815 188 HB VAL 31 HB VAL 31 -2.761 -20.656 -8.638 189 HG11 VAL 31 1HG1 VAL 31 -0.443 -19.948 -8.302 190 HG12 VAL 31 2HG1 VAL 31 -0.856 -20.078 -10.028 191 HG13 VAL 31 3HG1 VAL 31 -0.754 -18.478 -9.254 192 HG21 VAL 31 1HG2 VAL 31 -2.179 -19.302 -6.651 193 HG22 VAL 31 2HG2 VAL 31 -2.549 -17.815 -7.557 194 HG23 VAL 31 3HG2 VAL 31 -3.845 -18.978 -7.185 195 H GLY 32 H GLY 32 -5.385 -17.671 -10.682 196 HA2 GLY 32 1HA GLY 32 -7.322 -19.334 -9.123 197 HA3 GLY 32 2HA GLY 32 -7.559 -17.626 -9.559 198 H LEU 33 H LEU 33 -9.509 -17.955 -10.612 199 HA LEU 33 HA LEU 33 -9.519 -19.836 -12.927 200 HB2 LEU 33 1HB LEU 33 -11.801 -18.280 -11.646 201 HB3 LEU 33 2HB LEU 33 -11.953 -19.518 -12.897 202 HG LEU 33 HG LEU 33 -10.992 -19.996 -10.053 203 HD11 LEU 33 1HD1 LEU 33 -13.152 -21.130 -9.784 204 HD12 LEU 33 2HD1 LEU 33 -13.358 -19.405 -10.168 205 HD13 LEU 33 3HD1 LEU 33 -13.617 -20.634 -11.428 206 HD21 LEU 33 1HD2 LEU 33 -11.172 -22.377 -10.691 207 HD22 LEU 33 2HD2 LEU 33 -11.610 -21.900 -12.350 208 HD23 LEU 33 3HD2 LEU 33 -9.989 -21.528 -11.715 209 HA PRO 34 HA PRO 34 -9.345 -16.825 -16.089 210 HB2 PRO 34 1HB PRO 34 -11.977 -18.019 -17.054 211 HB3 PRO 34 2HB PRO 34 -10.488 -17.762 -17.972 212 HG2 PRO 34 1HG PRO 34 -11.082 -20.241 -17.218 213 HG3 PRO 34 2HG PRO 34 -9.417 -19.678 -17.045 214 HD2 PRO 34 1HD PRO 34 -11.595 -19.903 -14.930 215 HD3 PRO 34 2HD PRO 34 -9.844 -20.345 -14.815 216 H HIS 35 H HIS 35 -12.456 -17.340 -14.490 217 HA HIS 35 HA HIS 35 -13.147 -14.494 -15.090 218 HB2 HIS 35 1HB HIS 35 -14.871 -16.774 -14.028 219 HB3 HIS 35 2HB HIS 35 -15.432 -15.138 -14.343 220 HD2 HIS 35 HD2 HIS 35 -15.263 -18.446 -16.138 221 HE1 HIS 35 HE1 HIS 35 -15.540 -15.486 -19.191 222 H GLU 36 H GLU 36 -11.863 -16.450 -12.657 223 HA GLU 36 HA GLU 36 -12.188 -14.193 -10.738 224 HB2 GLU 36 1HB GLU 36 -13.906 -16.028 -10.255 225 HB3 GLU 36 2HB GLU 36 -12.555 -17.102 -9.926 226 HG2 GLU 36 1HG GLU 36 -11.797 -15.582 -8.131 227 HG3 GLU 36 2HG GLU 36 -13.180 -14.537 -8.448 228 H ARG 37 H ARG 37 -10.016 -13.891 -11.707 229 HA ARG 37 HA ARG 37 -7.947 -15.855 -11.184 230 HB2 ARG 37 1HB ARG 37 -7.823 -12.888 -11.848 231 HB3 ARG 37 2HB ARG 37 -6.412 -13.928 -11.731 232 HG2 ARG 37 1HG ARG 37 -7.198 -15.272 -13.604 233 HG3 ARG 37 2HG ARG 37 -8.688 -14.303 -13.694 234 HD2 ARG 37 1HD ARG 37 -5.920 -13.166 -13.975 235 HD3 ARG 37 2HD ARG 37 -6.931 -13.699 -15.339 236 HE ARG 37 HE ARG 37 -8.486 -11.942 -13.828 237 HH11 ARG 37 1HH1 ARG 37 -5.493 -11.844 -15.664 238 HH12 ARG 37 2HH1 ARG 37 -5.667 -10.158 -16.098 239 HH21 ARG 37 1HH2 ARG 37 -8.702 -9.754 -14.397 240 HH22 ARG 37 2HH2 ARG 37 -7.483 -8.974 -15.381 241 H LEU 38 H LEU 38 -6.432 -16.012 -9.646 242 HA LEU 38 HA LEU 38 -6.788 -14.219 -7.267 243 HB2 LEU 38 1HB LEU 38 -5.823 -17.106 -7.377 244 HB3 LEU 38 2HB LEU 38 -5.955 -16.118 -5.918 245 HG LEU 38 HG LEU 38 -8.291 -17.000 -7.651 246 HD11 LEU 38 1HD1 LEU 38 -8.801 -18.497 -5.774 247 HD12 LEU 38 2HD1 LEU 38 -7.222 -18.871 -6.503 248 HD13 LEU 38 3HD1 LEU 38 -7.304 -17.987 -4.960 249 HD21 LEU 38 1HD2 LEU 38 -9.640 -16.131 -5.771 250 HD22 LEU 38 2HD2 LEU 38 -8.154 -15.587 -4.956 251 HD23 LEU 38 3HD2 LEU 38 -8.647 -14.843 -6.496 252 H PHE 39 H PHE 39 -5.183 -12.982 -6.696 253 HA PHE 39 HA PHE 39 -2.611 -13.380 -8.187 254 HB2 PHE 39 1HB PHE 39 -3.923 -10.844 -7.118 255 HB3 PHE 39 2HB PHE 39 -2.339 -10.908 -7.874 256 HD1 PHE 39 HD1 PHE 39 -5.953 -11.106 -8.426 257 HD2 PHE 39 HD2 PHE 39 -2.099 -11.257 -10.265 258 HE1 PHE 39 HE1 PHE 39 -7.002 -10.815 -10.646 259 HE2 PHE 39 HE2 PHE 39 -3.145 -10.963 -12.486 260 HZ PHE 39 HZ PHE 39 -5.598 -10.743 -12.676 261 H THR 40 H THR 40 -0.669 -13.200 -7.219 262 HA THR 40 HA THR 40 -0.672 -12.771 -4.254 263 HB THR 40 HB THR 40 0.927 -14.886 -5.764 264 HG1 THR 40 HG1 THR 40 -0.385 -16.308 -4.485 265 HG21 THR 40 1HG2 THR 40 1.679 -15.561 -3.518 266 HG22 THR 40 2HG2 THR 40 2.158 -13.884 -3.871 267 HG23 THR 40 3HG2 THR 40 0.773 -14.208 -2.803 268 H ILE 41 H ILE 41 0.616 -11.259 -3.583 269 HA ILE 41 HA ILE 41 2.956 -10.474 -5.281 270 HB ILE 41 HB ILE 41 0.818 -8.587 -4.168 271 HG12 ILE 41 1HG1 ILE 41 1.576 -9.206 -7.033 272 HG13 ILE 41 2HG1 ILE 41 0.125 -9.766 -6.216 273 HG21 ILE 41 1HG2 ILE 41 2.157 -6.807 -5.217 274 HG22 ILE 41 2HG2 ILE 41 3.094 -7.661 -3.969 275 HG23 ILE 41 3HG2 ILE 41 3.385 -8.004 -5.691 276 HD11 ILE 41 1HD1 ILE 41 -0.351 -7.847 -7.630 277 HD12 ILE 41 2HD1 ILE 41 -0.619 -7.444 -5.916 278 HD13 ILE 41 3HD1 ILE 41 0.849 -6.876 -6.746 279 H ALA 42 H ALA 42 4.740 -10.121 -4.281 280 HA ALA 42 HA ALA 42 4.623 -10.094 -1.302 281 HB1 ALA 42 1HB ALA 42 6.988 -10.789 -1.408 282 HB2 ALA 42 2HB ALA 42 5.937 -11.913 -2.302 283 HB3 ALA 42 3HB ALA 42 6.924 -10.726 -3.185 284 H CYS 43 H CYS 43 5.865 -8.672 -0.079 285 HA CYS 43 HA CYS 43 6.792 -6.171 -1.526 286 HB2 CYS 43 1HB CYS 43 4.614 -5.787 -0.624 287 HB3 CYS 43 2HB CYS 43 5.175 -6.261 0.973 288 HG CYS 43 HG CYS 43 6.311 -3.840 -0.931 289 H SER 44 H SER 44 8.841 -5.699 -1.055 290 HA SER 44 HA SER 44 10.114 -6.894 1.425 291 HB2 SER 44 1HB SER 44 10.977 -7.856 -0.519 292 HB3 SER 44 2HB SER 44 11.290 -6.281 -1.231 293 HG SER 44 HG SER 44 13.099 -7.168 -0.234 294 H ILE 45 H ILE 45 10.818 -5.496 2.912 295 HA ILE 45 HA ILE 45 11.837 -2.832 2.003 296 HB ILE 45 HB ILE 45 10.068 -3.333 4.451 297 HG12 ILE 45 1HG1 ILE 45 9.515 -1.634 2.009 298 HG13 ILE 45 2HG1 ILE 45 8.859 -3.242 2.274 299 HG21 ILE 45 1HG2 ILE 45 10.289 -0.910 4.826 300 HG22 ILE 45 2HG2 ILE 45 11.875 -1.714 4.892 301 HG23 ILE 45 3HG2 ILE 45 11.404 -0.793 3.444 302 HD11 ILE 45 1HD1 ILE 45 7.244 -1.526 2.874 303 HD12 ILE 45 2HD1 ILE 45 7.729 -2.460 4.310 304 HD13 ILE 45 3HD1 ILE 45 8.392 -0.830 4.041 305 H LEU 46 H LEU 46 13.797 -2.470 2.521 306 HA LEU 46 HA LEU 46 15.872 -2.743 3.524 307 HB2 LEU 46 1HB LEU 46 14.122 -3.320 5.950 308 HB3 LEU 46 2HB LEU 46 15.863 -3.028 6.008 309 HG LEU 46 HG LEU 46 13.805 -1.004 5.057 310 HD11 LEU 46 1HD1 LEU 46 14.219 0.094 7.213 311 HD12 LEU 46 2HD1 LEU 46 13.524 -1.530 7.425 312 HD13 LEU 46 3HD1 LEU 46 15.262 -1.261 7.704 313 HD21 LEU 46 1HD2 LEU 46 15.708 0.562 5.247 314 HD22 LEU 46 2HD2 LEU 46 16.773 -0.787 5.710 315 HD23 LEU 46 3HD2 LEU 46 16.060 -0.735 4.080 316 H ASN 47 H ASN 47 15.155 -4.864 6.020 317 HA ASN 47 HA ASN 47 16.303 -7.125 4.416 318 HB2 ASN 47 1HB ASN 47 16.475 -6.510 7.379 319 HB3 ASN 47 2HB ASN 47 17.058 -7.991 6.631 320 HD21 ASN 47 1HD2 ASN 47 19.371 -4.757 6.732 321 HD22 ASN 47 2HD2 ASN 47 17.909 -4.955 7.639 322 H TYR 48 H TYR 48 13.411 -6.205 4.917 323 HA TYR 48 HA TYR 48 12.434 -8.837 5.983 324 HB2 TYR 48 1HB TYR 48 11.096 -6.119 6.276 325 HB3 TYR 48 2HB TYR 48 10.485 -7.653 6.881 326 HD1 TYR 48 HD1 TYR 48 12.887 -4.945 7.387 327 HD2 TYR 48 HD2 TYR 48 11.531 -8.763 8.799 328 HE1 TYR 48 HE1 TYR 48 14.096 -4.589 9.513 329 HE2 TYR 48 HE2 TYR 48 12.741 -8.407 10.924 330 HH TYR 48 HH TYR 48 14.604 -5.432 11.505 331 H ARG 49 H ARG 49 10.422 -9.589 5.184 332 HA ARG 49 HA ARG 49 9.292 -8.381 2.771 333 HB2 ARG 49 1HB ARG 49 11.386 -9.575 1.953 334 HB3 ARG 49 2HB ARG 49 10.674 -11.078 2.519 335 HG2 ARG 49 1HG ARG 49 8.854 -10.884 0.946 336 HG3 ARG 49 2HG ARG 49 9.405 -9.265 0.452 337 HD2 ARG 49 1HD ARG 49 11.375 -10.141 -0.505 338 HD3 ARG 49 2HD ARG 49 11.079 -11.747 0.200 339 HE ARG 49 HE ARG 49 8.875 -11.419 -1.303 340 HH11 ARG 49 1HH1 ARG 49 12.271 -10.889 -2.029 341 HH12 ARG 49 2HH1 ARG 49 12.096 -11.265 -3.728 342 HH21 ARG 49 1HH2 ARG 49 8.660 -11.904 -3.510 343 HH22 ARG 49 2HH2 ARG 49 10.052 -11.840 -4.568 344 H GLU 50 H GLU 50 7.235 -8.801 2.653 345 HA GLU 50 HA GLU 50 6.235 -11.375 3.813 346 HB2 GLU 50 1HB GLU 50 5.011 -8.608 4.192 347 HB3 GLU 50 2HB GLU 50 4.247 -10.120 4.661 348 HG2 GLU 50 1HG GLU 50 6.931 -9.263 5.744 349 HG3 GLU 50 2HG GLU 50 5.406 -8.770 6.477 350 H MET 51 H MET 51 4.366 -12.224 2.927 351 HA MET 51 HA MET 51 3.872 -11.213 0.142 352 HB2 MET 51 1HB MET 51 5.126 -13.361 0.244 353 HB3 MET 51 2HB MET 51 3.819 -14.072 1.180 354 HG2 MET 51 1HG MET 51 2.280 -13.780 -0.708 355 HG3 MET 51 2HG MET 51 3.559 -13.008 -1.648 356 HE1 MET 51 1HE MET 51 5.982 -15.856 -2.515 357 HE2 MET 51 2HE MET 51 5.416 -14.214 -2.904 358 HE3 MET 51 3HE MET 51 6.141 -14.552 -1.314 359 H GLY 52 H GLY 52 1.922 -10.668 -0.422 360 HA2 GLY 52 1HA GLY 52 -0.345 -11.682 1.254 361 HA3 GLY 52 2HA GLY 52 -0.295 -10.043 0.565 362 H LYS 53 H LYS 53 -2.474 -11.558 0.045 363 HA LYS 53 HA LYS 53 -2.377 -11.886 -2.859 364 HB2 LYS 53 1HB LYS 53 -2.990 -14.233 -2.930 365 HB3 LYS 53 2HB LYS 53 -1.448 -14.071 -2.101 366 HG2 LYS 53 1HG LYS 53 -2.583 -14.306 0.075 367 HG3 LYS 53 2HG LYS 53 -4.137 -14.460 -0.755 368 HD2 LYS 53 1HD LYS 53 -3.323 -16.481 -1.921 369 HD3 LYS 53 2HD LYS 53 -1.759 -16.323 -1.107 370 HE2 LYS 53 1HE LYS 53 -2.859 -16.597 1.083 371 HE3 LYS 53 2HE LYS 53 -4.431 -16.722 0.290 372 HZ1 LYS 53 1HZ LYS 53 -3.535 -18.869 0.815 373 HZ2 LYS 53 2HZ LYS 53 -3.648 -18.699 -0.822 374 HZ3 LYS 53 3HZ LYS 53 -2.180 -18.583 -0.079 375 H GLY 54 H GLY 54 -4.473 -12.509 -3.764 376 HA2 GLY 54 1HA GLY 54 -6.856 -12.687 -2.274 377 HA3 GLY 54 2HA GLY 54 -6.571 -10.958 -2.583 378 H LYS 55 H LYS 55 -8.554 -11.024 -3.827 379 HA LYS 55 HA LYS 55 -8.547 -12.659 -6.297 380 HB2 LYS 55 1HB LYS 55 -10.594 -10.731 -5.130 381 HB3 LYS 55 2HB LYS 55 -10.818 -11.650 -6.612 382 HG2 LYS 55 1HG LYS 55 -10.657 -13.757 -5.339 383 HG3 LYS 55 2HG LYS 55 -10.431 -12.832 -3.847 384 HD2 LYS 55 1HD LYS 55 -12.642 -11.747 -4.206 385 HD3 LYS 55 2HD LYS 55 -12.869 -12.727 -5.662 386 HE2 LYS 55 1HE LYS 55 -12.707 -14.787 -4.288 387 HE3 LYS 55 2HE LYS 55 -12.509 -13.799 -2.838 388 HZ1 LYS 55 1HZ LYS 55 -14.769 -14.508 -3.121 389 HZ2 LYS 55 2HZ LYS 55 -14.681 -12.866 -3.249 390 HZ3 LYS 55 3HZ LYS 55 -14.866 -13.790 -4.602 391 H SER 56 H SER 56 -7.209 -9.779 -5.398 392 HA SER 56 HA SER 56 -6.969 -8.949 -8.284 393 HB2 SER 56 1HB SER 56 -7.506 -6.762 -7.957 394 HB3 SER 56 2HB SER 56 -8.850 -7.731 -7.371 395 HG SER 56 HG SER 56 -8.461 -6.212 -5.884 396 H LYS 57 H LYS 57 -5.161 -7.574 -8.648 397 HA LYS 57 HA LYS 57 -2.823 -8.058 -7.061 398 HB2 LYS 57 1HB LYS 57 -3.454 -5.916 -9.128 399 HB3 LYS 57 2HB LYS 57 -1.866 -6.136 -8.404 400 HG2 LYS 57 1HG LYS 57 -1.752 -8.419 -9.332 401 HG3 LYS 57 2HG LYS 57 -3.351 -8.201 -10.057 402 HD2 LYS 57 1HD LYS 57 -2.469 -6.259 -11.352 403 HD3 LYS 57 2HD LYS 57 -0.864 -6.561 -10.669 404 HE2 LYS 57 1HE LYS 57 -0.837 -8.805 -11.684 405 HE3 LYS 57 2HE LYS 57 -2.456 -8.543 -12.338 406 HZ1 LYS 57 1HZ LYS 57 -0.768 -8.124 -13.969 407 HZ2 LYS 57 2HZ LYS 57 -1.576 -6.725 -13.633 408 HZ3 LYS 57 3HZ LYS 57 -0.063 -6.971 -13.024 409 H LYS 58 H LYS 58 -5.203 -5.448 -7.034 410 HA LYS 58 HA LYS 58 -3.829 -3.719 -5.214 411 HB2 LYS 58 1HB LYS 58 -5.853 -3.058 -6.495 412 HB3 LYS 58 2HB LYS 58 -6.819 -4.186 -5.554 413 HG2 LYS 58 1HG LYS 58 -6.370 -2.910 -3.510 414 HG3 LYS 58 2HG LYS 58 -5.336 -1.797 -4.417 415 HD2 LYS 58 1HD LYS 58 -7.250 -1.124 -5.811 416 HD3 LYS 58 2HD LYS 58 -8.292 -2.270 -4.955 417 HE2 LYS 58 1HE LYS 58 -7.879 -1.051 -2.836 418 HE3 LYS 58 2HE LYS 58 -6.860 0.102 -3.702 419 HZ1 LYS 58 1HZ LYS 58 -9.078 0.930 -3.412 420 HZ2 LYS 58 2HZ LYS 58 -8.770 0.714 -5.018 421 HZ3 LYS 58 3HZ LYS 58 -9.723 -0.362 -4.208 422 H ILE 59 H ILE 59 -6.216 -6.299 -4.572 423 HA ILE 59 HA ILE 59 -6.121 -6.036 -1.708 424 HB ILE 59 HB ILE 59 -6.796 -8.410 -3.515 425 HG12 ILE 59 1HG1 ILE 59 -8.653 -6.621 -1.937 426 HG13 ILE 59 2HG1 ILE 59 -8.241 -6.343 -3.623 427 HG21 ILE 59 1HG2 ILE 59 -7.816 -9.420 -1.515 428 HG22 ILE 59 2HG2 ILE 59 -6.066 -9.188 -1.292 429 HG23 ILE 59 3HG2 ILE 59 -7.216 -8.070 -0.522 430 HD11 ILE 59 1HD1 ILE 59 -10.365 -7.510 -3.419 431 HD12 ILE 59 2HD1 ILE 59 -9.158 -8.542 -4.222 432 HD13 ILE 59 3HD1 ILE 59 -9.576 -8.824 -2.515 433 H ALA 60 H ALA 60 -4.224 -8.046 -3.928 434 HA ALA 60 HA ALA 60 -2.771 -9.435 -1.920 435 HB1 ALA 60 1HB ALA 60 -1.085 -9.809 -3.683 436 HB2 ALA 60 2HB ALA 60 -2.735 -10.082 -4.290 437 HB3 ALA 60 3HB ALA 60 -1.875 -8.579 -4.695 438 H LYS 61 H LYS 61 -2.038 -6.365 -3.584 439 HA LYS 61 HA LYS 61 0.422 -5.884 -2.161 440 HB2 LYS 61 1HB LYS 61 -1.518 -4.055 -3.618 441 HB3 LYS 61 2HB LYS 61 -0.041 -3.467 -2.867 442 HG2 LYS 61 1HG LYS 61 1.285 -4.981 -4.317 443 HG3 LYS 61 2HG LYS 61 -0.212 -5.519 -5.093 444 HD2 LYS 61 1HD LYS 61 -0.676 -3.199 -5.813 445 HD3 LYS 61 2HD LYS 61 0.817 -2.657 -5.032 446 HE2 LYS 61 1HE LYS 61 2.139 -4.107 -6.524 447 HE3 LYS 61 2HE LYS 61 0.658 -4.690 -7.289 448 HZ1 LYS 61 1HZ LYS 61 1.688 -2.960 -8.566 449 HZ2 LYS 61 2HZ LYS 61 0.220 -2.446 -8.017 450 HZ3 LYS 61 3HZ LYS 61 1.604 -1.902 -7.304 451 H ARG 62 H ARG 62 -2.954 -5.109 -1.469 452 HA ARG 62 HA ARG 62 -2.433 -3.307 0.708 453 HB2 ARG 62 1HB ARG 62 -4.789 -5.077 -0.015 454 HB3 ARG 62 2HB ARG 62 -4.790 -4.070 1.424 455 HG2 ARG 62 1HG ARG 62 -4.656 -2.062 0.120 456 HG3 ARG 62 2HG ARG 62 -4.385 -2.992 -1.374 457 HD2 ARG 62 1HD ARG 62 -6.651 -2.269 -1.301 458 HD3 ARG 62 2HD ARG 62 -6.601 -4.030 -1.058 459 HE ARG 62 HE ARG 62 -6.583 -2.595 1.434 460 HH11 ARG 62 1HH1 ARG 62 -8.659 -3.718 -1.169 461 HH12 ARG 62 2HH1 ARG 62 -10.091 -3.783 -0.167 462 HH21 ARG 62 1HH2 ARG 62 -8.450 -2.683 2.724 463 HH22 ARG 62 2HH2 ARG 62 -9.974 -3.196 2.037 464 H LEU 63 H LEU 63 -3.070 -6.816 0.656 465 HA LEU 63 HA LEU 63 -2.820 -7.122 3.514 466 HB2 LEU 63 1HB LEU 63 -3.943 -8.769 2.003 467 HB3 LEU 63 2HB LEU 63 -2.376 -9.149 1.282 468 HG LEU 63 HG LEU 63 -1.591 -10.023 3.462 469 HD11 LEU 63 1HD1 LEU 63 -3.203 -10.319 5.290 470 HD12 LEU 63 2HD1 LEU 63 -2.947 -8.600 4.911 471 HD13 LEU 63 3HD1 LEU 63 -4.425 -9.423 4.357 472 HD21 LEU 63 1HD2 LEU 63 -3.028 -12.034 3.464 473 HD22 LEU 63 2HD2 LEU 63 -4.249 -11.162 2.505 474 HD23 LEU 63 3HD2 LEU 63 -2.653 -11.517 1.803 475 H ALA 64 H ALA 64 -0.515 -7.545 0.836 476 HA ALA 64 HA ALA 64 1.691 -8.364 2.425 477 HB1 ALA 64 1HB ALA 64 3.083 -7.552 0.557 478 HB2 ALA 64 2HB ALA 64 1.687 -8.487 -0.029 479 HB3 ALA 64 3HB ALA 64 1.671 -6.711 -0.125 480 H ALA 65 H ALA 65 0.548 -5.111 1.552 481 HA ALA 65 HA ALA 65 2.718 -3.711 2.787 482 HB1 ALA 65 1HB ALA 65 1.217 -1.754 2.700 483 HB2 ALA 65 2HB ALA 65 1.207 -2.652 1.163 484 HB3 ALA 65 3HB ALA 65 -0.148 -2.823 2.302 485 H HIS 66 H HIS 66 -0.508 -4.627 4.002 486 HA HIS 66 HA HIS 66 -0.228 -3.521 6.613 487 HB2 HIS 66 1HB HIS 66 -2.379 -4.377 5.775 488 HB3 HIS 66 2HB HIS 66 -1.725 -6.006 5.676 489 HD2 HIS 66 HD2 HIS 66 -2.113 -7.534 8.053 490 HE1 HIS 66 HE1 HIS 66 -3.096 -4.206 10.503 491 H ARG 67 H ARG 67 0.655 -6.750 5.389 492 HA ARG 67 HA ARG 67 1.639 -7.760 7.876 493 HB2 ARG 67 1HB ARG 67 2.325 -8.383 4.985 494 HB3 ARG 67 2HB ARG 67 3.068 -9.234 6.330 495 HG2 ARG 67 1HG ARG 67 0.077 -9.119 5.892 496 HG3 ARG 67 2HG ARG 67 1.133 -10.403 5.255 497 HD2 ARG 67 1HD ARG 67 0.739 -9.661 8.145 498 HD3 ARG 67 2HD ARG 67 0.104 -11.098 7.310 499 HE ARG 67 HE ARG 67 2.903 -11.047 6.981 500 HH11 ARG 67 1HH1 ARG 67 0.516 -11.452 9.526 501 HH12 ARG 67 2HH1 ARG 67 1.547 -12.472 10.504 502 HH21 ARG 67 1HH2 ARG 67 4.233 -12.372 8.259 503 HH22 ARG 67 2HH2 ARG 67 3.652 -12.993 9.788 504 H MET 68 H MET 68 3.287 -5.991 5.265 505 HA MET 68 HA MET 68 5.903 -6.127 6.455 506 HB2 MET 68 1HB MET 68 4.623 -4.252 4.447 507 HB3 MET 68 2HB MET 68 6.289 -4.063 4.974 508 HG2 MET 68 1HG MET 68 5.106 -6.458 3.545 509 HG3 MET 68 2HG MET 68 6.216 -5.259 2.877 510 HE1 MET 68 1HE MET 68 9.481 -5.975 4.983 511 HE2 MET 68 2HE MET 68 8.742 -4.955 3.724 512 HE3 MET 68 3HE MET 68 8.181 -4.837 5.409 513 H TRP 69 H TRP 69 3.291 -3.731 6.706 514 HA TRP 69 HA TRP 69 4.633 -1.839 8.336 515 HB2 TRP 69 1HB TRP 69 2.417 -1.375 7.436 516 HB3 TRP 69 2HB TRP 69 1.725 -2.740 8.301 517 HD1 TRP 69 HD1 TRP 69 0.717 -2.238 10.629 518 HE1 TRP 69 HE1 TRP 69 0.716 -0.221 12.246 519 HE3 TRP 69 HE3 TRP 69 4.131 0.719 8.199 520 HZ2 TRP 69 HZ2 TRP 69 2.008 2.282 12.443 521 HZ3 TRP 69 HZ3 TRP 69 4.703 2.915 9.154 522 HH2 TRP 69 HH2 TRP 69 3.664 3.690 11.245 523 H MET 70 H MET 70 2.670 -4.640 9.381 524 HA MET 70 HA MET 70 3.231 -4.344 12.170 525 HB2 MET 70 1HB MET 70 2.527 -6.784 10.503 526 HB3 MET 70 2HB MET 70 2.634 -6.799 12.258 527 HG2 MET 70 1HG MET 70 0.823 -5.153 12.406 528 HG3 MET 70 2HG MET 70 0.738 -5.067 10.644 529 HE1 MET 70 1HE MET 70 -0.479 -8.719 13.206 530 HE2 MET 70 2HE MET 70 1.206 -8.152 13.106 531 HE3 MET 70 3HE MET 70 -0.037 -7.122 13.856 532 H ARG 71 H ARG 71 4.878 -6.263 9.660 533 HA ARG 71 HA ARG 71 6.767 -7.533 11.349 534 HB2 ARG 71 1HB ARG 71 6.474 -8.125 8.974 535 HB3 ARG 71 2HB ARG 71 7.080 -6.550 8.484 536 HG2 ARG 71 1HG ARG 71 8.802 -8.193 8.183 537 HG3 ARG 71 2HG ARG 71 9.275 -7.113 9.517 538 HD2 ARG 71 1HD ARG 71 9.778 -9.328 10.160 539 HD3 ARG 71 2HD ARG 71 8.354 -8.808 11.091 540 HE ARG 71 HE ARG 71 7.684 -10.203 8.646 541 HH11 ARG 71 1HH1 ARG 71 8.565 -10.582 12.026 542 HH12 ARG 71 2HH1 ARG 71 7.815 -12.156 12.174 543 HH21 ARG 71 1HH2 ARG 71 6.715 -12.247 8.851 544 HH22 ARG 71 2HH2 ARG 71 6.768 -13.099 10.378 545 H LEU 72 H LEU 72 6.963 -4.366 9.731 546 HA LEU 72 HA LEU 72 9.668 -3.866 10.639 547 HB2 LEU 72 1HB LEU 72 7.468 -2.034 9.605 548 HB3 LEU 72 2HB LEU 72 9.109 -1.490 9.963 549 HG LEU 72 HG LEU 72 8.440 -3.614 7.898 550 HD11 LEU 72 1HD1 LEU 72 8.823 -1.840 6.245 551 HD12 LEU 72 2HD1 LEU 72 7.434 -1.472 7.295 552 HD13 LEU 72 3HD1 LEU 72 8.992 -0.652 7.559 553 HD21 LEU 72 1HD2 LEU 72 10.754 -3.160 7.156 554 HD22 LEU 72 2HD2 LEU 72 10.951 -1.990 8.483 555 HD23 LEU 72 3HD2 LEU 72 10.722 -3.718 8.846 556 H GLN 73 H GLN 73 6.461 -2.989 11.863 557 HA GLN 73 HA GLN 73 7.446 -1.295 13.982 558 HB2 GLN 73 1HB GLN 73 4.841 -2.828 13.614 559 HB3 GLN 73 2HB GLN 73 5.148 -1.770 14.984 560 HG2 GLN 73 1HG GLN 73 5.162 -0.921 12.080 561 HG3 GLN 73 2HG GLN 73 3.834 -0.669 13.247 562 HE21 GLN 73 1HE2 GLN 73 6.510 2.172 12.851 563 HE22 GLN 73 2HE2 GLN 73 6.036 1.003 11.664 564 H GLU 74 H GLU 74 6.839 -4.761 13.731 565 HA GLU 74 HA GLU 74 7.335 -5.268 16.559 566 HB2 GLU 74 1HB GLU 74 7.296 -7.056 14.096 567 HB3 GLU 74 2HB GLU 74 7.605 -7.661 15.717 568 HG2 GLU 74 1HG GLU 74 5.392 -6.847 16.439 569 HG3 GLU 74 2HG GLU 74 5.083 -6.257 14.807 Start of MODEL 10 1 H1 ILE 8 1H ILE 8 -2.249 0.630 1.507 2 H2 ILE 8 2H ILE 8 -1.495 -0.235 2.668 3 H3 ILE 8 3H ILE 8 -1.769 1.360 2.886 4 HA ILE 8 HA ILE 8 0.477 0.187 1.845 5 HB ILE 8 HB ILE 8 -1.185 1.794 -0.160 6 HG12 ILE 8 1HG1 ILE 8 0.053 -0.949 -0.461 7 HG13 ILE 8 2HG1 ILE 8 -1.617 -0.677 0.011 8 HG21 ILE 8 1HG2 ILE 8 0.802 1.686 -1.609 9 HG22 ILE 8 2HG2 ILE 8 1.153 2.575 -0.109 10 HG23 ILE 8 3HG2 ILE 8 1.718 0.900 -0.302 11 HD11 ILE 8 1HD1 ILE 8 -1.444 -1.151 -2.367 12 HD12 ILE 8 2HD1 ILE 8 -2.035 0.507 -2.101 13 HD13 ILE 8 3HD1 ILE 8 -0.344 0.230 -2.580 14 H GLY 9 H GLY 9 -1.495 3.098 2.181 15 HA2 GLY 9 1HA GLY 9 0.600 4.988 2.262 16 HA3 GLY 9 2HA GLY 9 -0.956 5.145 3.110 17 H TRP 10 H TRP 10 -0.709 2.878 4.807 18 HA TRP 10 HA TRP 10 0.716 3.911 7.029 19 HB2 TRP 10 1HB TRP 10 -0.195 1.106 6.300 20 HB3 TRP 10 2HB TRP 10 0.636 1.447 7.811 21 HD1 TRP 10 HD1 TRP 10 -1.347 4.433 7.315 22 HE1 TRP 10 HE1 TRP 10 -3.617 4.323 8.549 23 HE3 TRP 10 HE3 TRP 10 -1.486 -0.606 8.261 24 HZ2 TRP 10 HZ2 TRP 10 -5.233 2.345 9.751 25 HZ3 TRP 10 HZ3 TRP 10 -3.422 -1.544 9.460 26 HH2 TRP 10 HH2 TRP 10 -5.271 -0.097 10.193 27 H LEU 11 H LEU 11 1.729 1.419 4.683 28 HA LEU 11 HA LEU 11 4.283 0.990 5.967 29 HB2 LEU 11 1HB LEU 11 3.140 -0.649 4.443 30 HB3 LEU 11 2HB LEU 11 3.438 0.448 3.090 31 HG LEU 11 HG LEU 11 5.880 0.164 3.410 32 HD11 LEU 11 1HD1 LEU 11 6.695 -1.571 4.943 33 HD12 LEU 11 2HD1 LEU 11 5.864 -0.261 5.814 34 HD13 LEU 11 3HD1 LEU 11 5.039 -1.816 5.547 35 HD21 LEU 11 1HD2 LEU 11 5.965 -2.177 2.619 36 HD22 LEU 11 2HD2 LEU 11 4.298 -2.431 3.190 37 HD23 LEU 11 3HD2 LEU 11 4.619 -1.293 1.859 38 H GLN 12 H GLN 12 3.210 3.052 3.296 39 HA GLN 12 HA GLN 12 5.793 4.009 2.535 40 HB2 GLN 12 1HB GLN 12 3.034 5.291 2.432 41 HB3 GLN 12 2HB GLN 12 4.469 6.055 1.763 42 HG2 GLN 12 1HG GLN 12 4.776 4.210 0.209 43 HG3 GLN 12 2HG GLN 12 3.377 3.360 0.924 44 HE21 GLN 12 1HE2 GLN 12 2.200 5.008 -2.158 45 HE22 GLN 12 2HE2 GLN 12 3.330 3.763 -1.739 46 H GLU 13 H GLU 13 3.509 5.176 5.000 47 HA GLU 13 HA GLU 13 5.124 7.382 5.880 48 HB2 GLU 13 1HB GLU 13 3.048 5.667 7.299 49 HB3 GLU 13 2HB GLU 13 3.814 7.062 8.046 50 HG2 GLU 13 1HG GLU 13 2.865 8.549 6.409 51 HG3 GLU 13 2HG GLU 13 2.256 7.196 5.458 52 H MET 14 H MET 14 4.916 4.017 7.053 53 HA MET 14 HA MET 14 6.906 4.118 9.039 54 HB2 MET 14 1HB MET 14 5.506 2.128 8.497 55 HB3 MET 14 2HB MET 14 6.427 1.895 7.019 56 HG2 MET 14 1HG MET 14 7.274 0.367 8.628 57 HG3 MET 14 2HG MET 14 8.493 1.629 8.434 58 HE1 MET 14 1HE MET 14 5.937 0.768 12.152 59 HE2 MET 14 2HE MET 14 5.178 1.009 10.559 60 HE3 MET 14 3HE MET 14 6.301 -0.349 10.815 61 H CYS 15 H CYS 15 7.375 3.540 5.545 62 HA CYS 15 HA CYS 15 10.213 3.217 5.539 63 HB2 CYS 15 1HB CYS 15 8.427 4.331 3.432 64 HB3 CYS 15 2HB CYS 15 10.129 3.933 3.241 65 HG CYS 15 HG CYS 15 9.894 1.433 3.915 66 H MET 16 H MET 16 8.221 6.166 5.045 67 HA MET 16 HA MET 16 10.427 7.945 4.653 68 HB2 MET 16 1HB MET 16 7.576 8.403 5.587 69 HB3 MET 16 2HB MET 16 8.714 9.713 5.310 70 HG2 MET 16 1HG MET 16 8.969 8.856 2.938 71 HG3 MET 16 2HG MET 16 7.627 7.758 3.272 72 HE1 MET 16 1HE MET 16 4.579 10.062 3.701 73 HE2 MET 16 2HE MET 16 5.162 8.408 3.394 74 HE3 MET 16 3HE MET 16 5.542 9.214 4.935 75 H GLN 17 H GLN 17 8.667 7.009 7.591 76 HA GLN 17 HA GLN 17 9.973 8.897 9.316 77 HB2 GLN 17 1HB GLN 17 8.622 6.221 9.839 78 HB3 GLN 17 2HB GLN 17 9.276 7.224 11.126 79 HG2 GLN 17 1HG GLN 17 7.750 9.020 10.580 80 HG3 GLN 17 2HG GLN 17 7.144 8.106 9.170 81 HE21 GLN 17 1HE2 GLN 17 4.652 7.620 11.804 82 HE22 GLN 17 2HE2 GLN 17 5.236 8.901 10.795 83 H ARG 18 H ARG 18 10.796 5.592 8.344 84 HA ARG 18 HA ARG 18 13.205 5.676 10.086 85 HB2 ARG 18 1HB ARG 18 12.061 3.493 8.299 86 HB3 ARG 18 2HB ARG 18 13.499 3.324 9.294 87 HG2 ARG 18 1HG ARG 18 12.103 3.729 11.317 88 HG3 ARG 18 2HG ARG 18 10.666 3.758 10.266 89 HD2 ARG 18 1HD ARG 18 11.194 1.499 9.512 90 HD3 ARG 18 2HD ARG 18 12.596 1.474 10.607 91 HE ARG 18 HE ARG 18 10.332 2.139 12.131 92 HH11 ARG 18 1HH1 ARG 18 11.575 -0.574 10.278 93 HH12 ARG 18 2HH1 ARG 18 10.758 -1.776 11.252 94 HH21 ARG 18 1HH2 ARG 18 9.275 0.570 13.388 95 HH22 ARG 18 2HH2 ARG 18 9.456 -1.129 13.012 96 H ARG 19 H ARG 19 12.481 6.953 7.211 97 HA ARG 19 HA ARG 19 13.747 7.597 5.370 98 HB2 ARG 19 1HB ARG 19 16.034 7.038 7.300 99 HB3 ARG 19 2HB ARG 19 16.180 7.916 5.785 100 HG2 ARG 19 1HG ARG 19 14.670 9.661 6.650 101 HG3 ARG 19 2HG ARG 19 14.552 8.776 8.190 102 HD2 ARG 19 1HD ARG 19 17.019 8.949 8.385 103 HD3 ARG 19 2HD ARG 19 17.001 10.004 6.954 104 HE ARG 19 HE ARG 19 15.151 11.036 8.797 105 HH11 ARG 19 1HH1 ARG 19 18.615 10.513 8.533 106 HH12 ARG 19 2HH1 ARG 19 19.025 11.867 9.563 107 HH21 ARG 19 1HH2 ARG 19 15.695 12.790 10.133 108 HH22 ARG 19 2HH2 ARG 19 17.372 13.156 10.470 109 H TRP 20 H TRP 20 12.927 4.883 5.465 110 HA TRP 20 HA TRP 20 15.242 3.465 4.213 111 HB2 TRP 20 1HB TRP 20 12.560 2.538 5.305 112 HB3 TRP 20 2HB TRP 20 13.565 1.506 4.298 113 HD1 TRP 20 HD1 TRP 20 15.994 3.365 6.249 114 HE1 TRP 20 HE1 TRP 20 16.748 2.073 8.358 115 HE3 TRP 20 HE3 TRP 20 12.269 -0.158 6.390 116 HZ2 TRP 20 HZ2 TRP 20 15.859 -0.143 9.865 117 HZ3 TRP 20 HZ3 TRP 20 12.280 -1.837 8.191 118 HH2 TRP 20 HH2 TRP 20 14.042 -1.834 9.907 119 HA PRO 21 HA PRO 21 13.915 3.800 0.095 120 HB2 PRO 21 1HB PRO 21 13.935 0.752 0.037 121 HB3 PRO 21 2HB PRO 21 14.749 1.875 -1.060 122 HG2 PRO 21 1HG PRO 21 16.217 0.607 0.762 123 HG3 PRO 21 2HG PRO 21 16.508 2.326 0.480 124 HD2 PRO 21 1HD PRO 21 14.945 0.986 2.721 125 HD3 PRO 21 2HD PRO 21 16.093 2.383 2.806 126 HA PRO 22 HA PRO 22 9.558 3.401 0.058 127 HB2 PRO 22 1HB PRO 22 10.076 3.212 -2.937 128 HB3 PRO 22 2HB PRO 22 8.963 4.289 -2.083 129 HG2 PRO 22 1HG PRO 22 11.227 5.315 -3.029 130 HG3 PRO 22 2HG PRO 22 10.695 5.778 -1.410 131 HD2 PRO 22 1HD PRO 22 12.803 3.739 -2.226 132 HD3 PRO 22 2HD PRO 22 12.860 4.968 -0.900 133 HA PRO 23 HA PRO 23 8.728 -0.854 -0.152 134 HB2 PRO 23 1HB PRO 23 6.097 0.101 -1.365 135 HB3 PRO 23 2HB PRO 23 6.340 -1.006 -0.008 136 HG2 PRO 23 1HG PRO 23 5.566 1.480 0.527 137 HG3 PRO 23 2HG PRO 23 6.830 0.752 1.523 138 HD2 PRO 23 1HD PRO 23 7.098 2.730 -0.773 139 HD3 PRO 23 2HD PRO 23 7.975 2.693 0.809 140 H SER 24 H SER 24 9.362 -2.276 -1.507 141 HA SER 24 HA SER 24 9.107 -1.750 -4.472 142 HB2 SER 24 1HB SER 24 11.313 -2.031 -3.746 143 HB3 SER 24 2HB SER 24 10.916 -3.546 -2.949 144 HG SER 24 HG SER 24 11.767 -3.835 -5.010 145 H TYR 25 H TYR 25 7.513 -2.782 -5.493 146 HA TYR 25 HA TYR 25 6.354 -5.235 -4.215 147 HB2 TYR 25 1HB TYR 25 5.106 -3.220 -6.125 148 HB3 TYR 25 2HB TYR 25 4.319 -4.684 -5.552 149 HD1 TYR 25 HD1 TYR 25 5.285 -1.271 -4.753 150 HD2 TYR 25 HD2 TYR 25 3.694 -4.927 -3.167 151 HE1 TYR 25 HE1 TYR 25 4.448 -0.049 -2.774 152 HE2 TYR 25 HE2 TYR 25 2.857 -3.705 -1.189 153 HH TYR 25 HH TYR 25 3.371 -0.202 -0.837 154 H GLU 26 H GLU 26 6.295 -7.110 -5.216 155 HA GLU 26 HA GLU 26 6.818 -7.143 -8.166 156 HB2 GLU 26 1HB GLU 26 7.950 -9.052 -6.076 157 HB3 GLU 26 2HB GLU 26 8.065 -9.285 -7.815 158 HG2 GLU 26 1HG GLU 26 9.351 -7.169 -7.986 159 HG3 GLU 26 2HG GLU 26 9.283 -7.013 -6.232 160 H THR 27 H THR 27 5.840 -8.747 -9.356 161 HA THR 27 HA THR 27 3.329 -9.713 -8.075 162 HB THR 27 HB THR 27 4.139 -9.571 -11.014 163 HG1 THR 27 HG1 THR 27 2.601 -7.834 -10.997 164 HG21 THR 27 1HG2 THR 27 1.757 -10.034 -11.439 165 HG22 THR 27 2HG2 THR 27 2.513 -11.368 -10.536 166 HG23 THR 27 3HG2 THR 27 1.472 -10.199 -9.691 167 H GLU 28 H GLU 28 3.052 -11.687 -7.450 168 HA GLU 28 HA GLU 28 5.018 -13.752 -8.299 169 HB2 GLU 28 1HB GLU 28 2.806 -13.844 -6.203 170 HB3 GLU 28 2HB GLU 28 4.001 -15.101 -6.490 171 HG2 GLU 28 1HG GLU 28 4.594 -12.291 -5.537 172 HG3 GLU 28 2HG GLU 28 4.524 -13.733 -4.528 173 H THR 29 H THR 29 3.882 -16.052 -8.276 174 HA THR 29 HA THR 29 2.453 -16.078 -10.801 175 HB THR 29 HB THR 29 2.955 -18.332 -8.806 176 HG1 THR 29 HG1 THR 29 4.686 -18.792 -10.280 177 HG21 THR 29 1HG2 THR 29 2.560 -19.801 -10.744 178 HG22 THR 29 2HG2 THR 29 1.121 -18.815 -10.390 179 HG23 THR 29 3HG2 THR 29 2.185 -18.382 -11.749 180 H GLU 30 H GLU 30 0.397 -16.163 -11.284 181 HA GLU 30 HA GLU 30 -1.660 -15.790 -9.315 182 HB2 GLU 30 1HB GLU 30 -1.861 -15.168 -11.738 183 HB3 GLU 30 2HB GLU 30 -1.895 -16.876 -12.153 184 HG2 GLU 30 1HG GLU 30 -3.967 -17.160 -10.869 185 HG3 GLU 30 2HG GLU 30 -3.929 -15.456 -10.421 186 H VAL 31 H VAL 31 -2.885 -17.092 -8.160 187 HA VAL 31 HA VAL 31 -2.631 -20.051 -8.535 188 HB VAL 31 HB VAL 31 -2.167 -20.216 -6.042 189 HG11 VAL 31 1HG1 VAL 31 0.242 -19.830 -6.234 190 HG12 VAL 31 2HG1 VAL 31 -0.420 -20.641 -7.673 191 HG13 VAL 31 3HG1 VAL 31 -0.027 -18.906 -7.731 192 HG21 VAL 31 1HG2 VAL 31 -1.161 -18.238 -4.947 193 HG22 VAL 31 2HG2 VAL 31 -1.479 -17.270 -6.406 194 HG23 VAL 31 3HG2 VAL 31 -2.836 -17.913 -5.450 195 H GLY 32 H GLY 32 -4.837 -19.138 -9.306 196 HA2 GLY 32 1HA GLY 32 -6.683 -19.751 -7.056 197 HA3 GLY 32 2HA GLY 32 -6.949 -18.268 -8.002 198 H LEU 33 H LEU 33 -9.042 -19.200 -8.518 199 HA LEU 33 HA LEU 33 -8.946 -21.531 -10.383 200 HB2 LEU 33 1HB LEU 33 -11.315 -20.174 -9.032 201 HB3 LEU 33 2HB LEU 33 -11.382 -21.637 -10.020 202 HG LEU 33 HG LEU 33 -9.970 -21.385 -7.339 203 HD11 LEU 33 1HD1 LEU 33 -11.803 -22.801 -6.527 204 HD12 LEU 33 2HD1 LEU 33 -12.401 -21.245 -7.148 205 HD13 LEU 33 3HD1 LEU 33 -12.575 -22.720 -8.128 206 HD21 LEU 33 1HD2 LEU 33 -9.754 -23.839 -7.538 207 HD22 LEU 33 2HD2 LEU 33 -10.497 -23.774 -9.155 208 HD23 LEU 33 3HD2 LEU 33 -8.914 -23.012 -8.872 209 HA PRO 34 HA PRO 34 -9.875 -19.112 -13.928 210 HB2 PRO 34 1HB PRO 34 -11.600 -20.813 -15.256 211 HB3 PRO 34 2HB PRO 34 -9.871 -21.168 -15.155 212 HG2 PRO 34 1HG PRO 34 -12.143 -22.226 -13.419 213 HG3 PRO 34 2HG PRO 34 -10.848 -23.138 -14.200 214 HD2 PRO 34 1HD PRO 34 -10.654 -22.469 -11.592 215 HD3 PRO 34 2HD PRO 34 -9.197 -22.403 -12.663 216 H HIS 35 H HIS 35 -12.338 -20.229 -11.765 217 HA HIS 35 HA HIS 35 -14.162 -18.101 -12.817 218 HB2 HIS 35 1HB HIS 35 -14.723 -20.419 -10.916 219 HB3 HIS 35 2HB HIS 35 -15.901 -19.219 -11.427 220 HD2 HIS 35 HD2 HIS 35 -14.692 -22.639 -12.496 221 HE1 HIS 35 HE1 HIS 35 -16.614 -20.949 -15.904 222 H GLU 36 H GLU 36 -12.018 -18.892 -10.266 223 HA GLU 36 HA GLU 36 -12.747 -16.311 -8.967 224 HB2 GLU 36 1HB GLU 36 -13.825 -18.248 -7.707 225 HB3 GLU 36 2HB GLU 36 -12.207 -18.861 -7.394 226 HG2 GLU 36 1HG GLU 36 -11.649 -16.782 -6.198 227 HG3 GLU 36 2HG GLU 36 -13.271 -16.170 -6.511 228 H ARG 37 H ARG 37 -10.918 -15.558 -10.136 229 HA ARG 37 HA ARG 37 -8.345 -16.857 -9.898 230 HB2 ARG 37 1HB ARG 37 -9.117 -14.034 -10.729 231 HB3 ARG 37 2HB ARG 37 -7.492 -14.691 -10.854 232 HG2 ARG 37 1HG ARG 37 -8.317 -16.416 -12.418 233 HG3 ARG 37 2HG ARG 37 -9.945 -15.703 -12.314 234 HD2 ARG 37 1HD ARG 37 -9.036 -13.584 -13.137 235 HD3 ARG 37 2HD ARG 37 -7.444 -14.357 -13.308 236 HE ARG 37 HE ARG 37 -9.793 -14.722 -15.001 237 HH11 ARG 37 1HH1 ARG 37 -6.629 -15.921 -14.058 238 HH12 ARG 37 2HH1 ARG 37 -6.389 -16.819 -15.540 239 HH21 ARG 37 1HH2 ARG 37 -9.470 -15.891 -16.921 240 HH22 ARG 37 2HH2 ARG 37 -7.996 -16.802 -17.161 241 H LEU 38 H LEU 38 -6.623 -16.510 -8.650 242 HA LEU 38 HA LEU 38 -6.862 -14.399 -6.540 243 HB2 LEU 38 1HB LEU 38 -5.849 -17.252 -6.198 244 HB3 LEU 38 2HB LEU 38 -5.744 -15.985 -4.973 245 HG LEU 38 HG LEU 38 -8.350 -17.085 -6.080 246 HD11 LEU 38 1HD1 LEU 38 -8.508 -18.272 -3.937 247 HD12 LEU 38 2HD1 LEU 38 -7.098 -18.805 -4.882 248 HD13 LEU 38 3HD1 LEU 38 -6.880 -17.702 -3.502 249 HD21 LEU 38 1HD2 LEU 38 -9.313 -15.902 -4.135 250 HD22 LEU 38 2HD2 LEU 38 -7.695 -15.299 -3.701 251 HD23 LEU 38 3HD2 LEU 38 -8.465 -14.771 -5.217 252 H PHE 39 H PHE 39 -5.156 -13.176 -6.183 253 HA PHE 39 HA PHE 39 -2.676 -13.849 -7.738 254 HB2 PHE 39 1HB PHE 39 -3.947 -11.112 -7.305 255 HB3 PHE 39 2HB PHE 39 -2.425 -11.411 -8.129 256 HD1 PHE 39 HD1 PHE 39 -6.071 -11.655 -8.349 257 HD2 PHE 39 HD2 PHE 39 -2.370 -12.378 -10.356 258 HE1 PHE 39 HE1 PHE 39 -7.285 -11.926 -10.486 259 HE2 PHE 39 HE2 PHE 39 -3.579 -12.647 -12.495 260 HZ PHE 39 HZ PHE 39 -6.038 -12.423 -12.559 261 H THR 40 H THR 40 -0.708 -13.237 -6.926 262 HA THR 40 HA THR 40 -0.735 -12.456 -4.028 263 HB THR 40 HB THR 40 1.094 -14.484 -5.391 264 HG1 THR 40 HG1 THR 40 0.020 -15.920 -3.920 265 HG21 THR 40 1HG2 THR 40 2.002 -14.828 -3.127 266 HG22 THR 40 2HG2 THR 40 2.249 -13.148 -3.662 267 HG23 THR 40 3HG2 THR 40 0.953 -13.532 -2.505 268 H ILE 41 H ILE 41 0.439 -10.807 -3.455 269 HA ILE 41 HA ILE 41 2.610 -9.889 -5.325 270 HB ILE 41 HB ILE 41 0.714 -8.176 -3.640 271 HG12 ILE 41 1HG1 ILE 41 -0.374 -9.125 -5.630 272 HG13 ILE 41 2HG1 ILE 41 -0.212 -7.378 -5.712 273 HG21 ILE 41 1HG2 ILE 41 1.845 -6.276 -4.723 274 HG22 ILE 41 2HG2 ILE 41 2.995 -7.252 -3.780 275 HG23 ILE 41 3HG2 ILE 41 2.948 -7.401 -5.552 276 HD11 ILE 41 1HD1 ILE 41 0.281 -8.407 -7.859 277 HD12 ILE 41 2HD1 ILE 41 1.731 -7.615 -7.197 278 HD13 ILE 41 3HD1 ILE 41 1.567 -9.385 -7.115 279 H ALA 42 H ALA 42 4.526 -9.512 -4.582 280 HA ALA 42 HA ALA 42 4.897 -9.858 -1.641 281 HB1 ALA 42 1HB ALA 42 7.233 -10.422 -2.201 282 HB2 ALA 42 2HB ALA 42 6.084 -11.490 -3.044 283 HB3 ALA 42 3HB ALA 42 6.879 -10.165 -3.925 284 H CYS 43 H CYS 43 5.549 -8.266 -0.406 285 HA CYS 43 HA CYS 43 6.532 -5.709 -1.704 286 HB2 CYS 43 1HB CYS 43 4.416 -5.482 -0.618 287 HB3 CYS 43 2HB CYS 43 5.108 -6.069 0.887 288 HG CYS 43 HG CYS 43 6.928 -4.217 1.077 289 H SER 44 H SER 44 8.595 -5.206 -1.344 290 HA SER 44 HA SER 44 10.087 -6.550 0.929 291 HB2 SER 44 1HB SER 44 10.862 -7.270 -1.151 292 HB3 SER 44 2HB SER 44 11.043 -5.619 -1.723 293 HG SER 44 HG SER 44 12.961 -6.492 -0.938 294 H ILE 45 H ILE 45 10.853 -5.274 2.491 295 HA ILE 45 HA ILE 45 11.379 -2.380 1.854 296 HB ILE 45 HB ILE 45 10.442 -3.607 4.498 297 HG12 ILE 45 1HG1 ILE 45 8.642 -3.431 2.845 298 HG13 ILE 45 2HG1 ILE 45 8.409 -2.340 4.201 299 HG21 ILE 45 1HG2 ILE 45 10.415 -1.282 5.307 300 HG22 ILE 45 2HG2 ILE 45 12.054 -1.769 4.814 301 HG23 ILE 45 3HG2 ILE 45 11.077 -0.729 3.751 302 HD11 ILE 45 1HD1 ILE 45 7.837 -1.261 2.099 303 HD12 ILE 45 2HD1 ILE 45 9.239 -0.463 2.850 304 HD13 ILE 45 3HD1 ILE 45 9.474 -1.568 1.475 305 H LEU 46 H LEU 46 13.447 -2.532 1.307 306 HA LEU 46 HA LEU 46 15.730 -2.545 1.722 307 HB2 LEU 46 1HB LEU 46 15.005 -1.033 3.584 308 HB3 LEU 46 2HB LEU 46 14.828 -2.444 4.631 309 HG LEU 46 HG LEU 46 17.282 -2.883 4.374 310 HD11 LEU 46 1HD1 LEU 46 18.684 -1.099 3.438 311 HD12 LEU 46 2HD1 LEU 46 17.593 -1.788 2.213 312 HD13 LEU 46 3HD1 LEU 46 17.224 -0.209 2.946 313 HD21 LEU 46 1HD2 LEU 46 17.961 -1.012 5.840 314 HD22 LEU 46 2HD2 LEU 46 16.489 -0.119 5.383 315 HD23 LEU 46 3HD2 LEU 46 16.360 -1.638 6.301 316 H ASN 47 H ASN 47 15.099 -4.145 4.783 317 HA ASN 47 HA ASN 47 16.664 -6.471 3.716 318 HB2 ASN 47 1HB ASN 47 16.434 -5.302 6.500 319 HB3 ASN 47 2HB ASN 47 17.173 -6.860 6.159 320 HD21 ASN 47 1HD2 ASN 47 19.658 -4.003 6.219 321 HD22 ASN 47 2HD2 ASN 47 18.340 -4.416 7.263 322 H TYR 48 H TYR 48 13.573 -5.660 4.201 323 HA TYR 48 HA TYR 48 12.854 -8.377 5.259 324 HB2 TYR 48 1HB TYR 48 11.334 -5.767 5.640 325 HB3 TYR 48 2HB TYR 48 10.828 -7.351 6.213 326 HD1 TYR 48 HD1 TYR 48 13.173 -4.566 6.701 327 HD2 TYR 48 HD2 TYR 48 11.878 -8.399 8.128 328 HE1 TYR 48 HE1 TYR 48 14.402 -4.195 8.813 329 HE2 TYR 48 HE2 TYR 48 13.107 -8.028 10.240 330 HH TYR 48 HH TYR 48 14.941 -5.031 10.799 331 H ARG 49 H ARG 49 10.831 -9.244 4.546 332 HA ARG 49 HA ARG 49 9.538 -8.095 2.190 333 HB2 ARG 49 1HB ARG 49 11.668 -9.192 1.294 334 HB3 ARG 49 2HB ARG 49 11.019 -10.727 1.851 335 HG2 ARG 49 1HG ARG 49 9.172 -10.591 0.326 336 HG3 ARG 49 2HG ARG 49 9.599 -8.922 -0.120 337 HD2 ARG 49 1HD ARG 49 11.624 -9.649 -1.135 338 HD3 ARG 49 2HD ARG 49 11.377 -11.309 -0.546 339 HE ARG 49 HE ARG 49 9.168 -11.010 -1.987 340 HH11 ARG 49 1HH1 ARG 49 12.460 -10.044 -2.740 341 HH12 ARG 49 2HH1 ARG 49 12.253 -10.231 -4.467 342 HH21 ARG 49 1HH2 ARG 49 8.912 -11.249 -4.231 343 HH22 ARG 49 2HH2 ARG 49 10.245 -10.913 -5.312 344 H GLU 50 H GLU 50 7.512 -8.686 2.064 345 HA GLU 50 HA GLU 50 6.686 -11.367 3.003 346 HB2 GLU 50 1HB GLU 50 6.525 -9.999 5.056 347 HB3 GLU 50 2HB GLU 50 5.574 -8.793 4.200 348 HG2 GLU 50 1HG GLU 50 4.080 -10.097 5.498 349 HG3 GLU 50 2HG GLU 50 3.821 -10.529 3.809 350 H MET 51 H MET 51 4.993 -12.184 1.971 351 HA MET 51 HA MET 51 3.772 -10.422 -0.129 352 HB2 MET 51 1HB MET 51 3.478 -12.427 -1.458 353 HB3 MET 51 2HB MET 51 5.166 -12.290 -0.991 354 HG2 MET 51 1HG MET 51 4.882 -13.990 0.723 355 HG3 MET 51 2HG MET 51 3.146 -14.064 0.409 356 HE1 MET 51 1HE MET 51 6.386 -15.432 -2.601 357 HE2 MET 51 2HE MET 51 6.093 -13.720 -2.210 358 HE3 MET 51 3HE MET 51 6.741 -14.819 -0.968 359 H GLY 52 H GLY 52 1.594 -10.792 -0.737 360 HA2 GLY 52 1HA GLY 52 -0.050 -12.324 1.204 361 HA3 GLY 52 2HA GLY 52 -0.412 -10.597 0.976 362 H LYS 53 H LYS 53 -2.204 -12.763 0.445 363 HA LYS 53 HA LYS 53 -2.390 -12.639 -2.550 364 HB2 LYS 53 1HB LYS 53 -1.825 -14.912 -1.859 365 HB3 LYS 53 2HB LYS 53 -3.111 -14.912 -0.660 366 HG2 LYS 53 1HG LYS 53 -4.810 -14.941 -2.345 367 HG3 LYS 53 2HG LYS 53 -3.634 -14.612 -3.626 368 HD2 LYS 53 1HD LYS 53 -4.074 -16.944 -3.750 369 HD3 LYS 53 2HD LYS 53 -2.495 -16.804 -2.964 370 HE2 LYS 53 1HE LYS 53 -3.551 -17.085 -0.757 371 HE3 LYS 53 2HE LYS 53 -5.143 -17.178 -1.515 372 HZ1 LYS 53 1HZ LYS 53 -4.270 -19.343 -1.027 373 HZ2 LYS 53 2HZ LYS 53 -4.417 -19.158 -2.660 374 HZ3 LYS 53 3HZ LYS 53 -2.931 -19.072 -1.950 375 H GLY 54 H GLY 54 -4.268 -12.153 -3.482 376 HA2 GLY 54 1HA GLY 54 -6.685 -11.892 -1.789 377 HA3 GLY 54 2HA GLY 54 -6.059 -10.416 -2.559 378 H LYS 55 H LYS 55 -8.406 -10.687 -3.396 379 HA LYS 55 HA LYS 55 -8.817 -12.684 -5.491 380 HB2 LYS 55 1HB LYS 55 -10.377 -10.199 -4.686 381 HB3 LYS 55 2HB LYS 55 -10.886 -11.314 -5.946 382 HG2 LYS 55 1HG LYS 55 -11.021 -13.137 -4.294 383 HG3 LYS 55 2HG LYS 55 -10.494 -12.024 -3.024 384 HD2 LYS 55 1HD LYS 55 -12.479 -10.618 -3.408 385 HD3 LYS 55 2HD LYS 55 -12.999 -11.690 -4.717 386 HE2 LYS 55 1HE LYS 55 -13.173 -13.564 -3.108 387 HE3 LYS 55 2HE LYS 55 -12.662 -12.492 -1.802 388 HZ1 LYS 55 1HZ LYS 55 -15.035 -12.722 -1.879 389 HZ2 LYS 55 2HZ LYS 55 -14.617 -11.161 -2.210 390 HZ3 LYS 55 3HZ LYS 55 -15.094 -12.164 -3.429 391 H SER 56 H SER 56 -7.418 -9.529 -5.325 392 HA SER 56 HA SER 56 -6.960 -9.637 -8.318 393 HB2 SER 56 1HB SER 56 -7.359 -7.420 -8.618 394 HB3 SER 56 2HB SER 56 -8.769 -8.104 -7.823 395 HG SER 56 HG SER 56 -8.204 -6.195 -6.872 396 H LYS 57 H LYS 57 -5.138 -8.251 -8.949 397 HA LYS 57 HA LYS 57 -2.809 -8.593 -7.286 398 HB2 LYS 57 1HB LYS 57 -3.331 -6.867 -9.735 399 HB3 LYS 57 2HB LYS 57 -1.757 -7.011 -8.965 400 HG2 LYS 57 1HG LYS 57 -1.738 -9.431 -9.428 401 HG3 LYS 57 2HG LYS 57 -3.330 -9.297 -10.188 402 HD2 LYS 57 1HD LYS 57 -2.382 -7.698 -11.845 403 HD3 LYS 57 2HD LYS 57 -0.788 -7.902 -11.104 404 HE2 LYS 57 1HE LYS 57 -0.821 -10.301 -11.645 405 HE3 LYS 57 2HE LYS 57 -2.437 -10.140 -12.336 406 HZ1 LYS 57 1HZ LYS 57 -0.750 -10.105 -14.021 407 HZ2 LYS 57 2HZ LYS 57 -1.523 -8.649 -13.979 408 HZ3 LYS 57 3HZ LYS 57 -0.013 -8.800 -13.334 409 H LYS 58 H LYS 58 -5.082 -5.938 -7.732 410 HA LYS 58 HA LYS 58 -3.543 -3.997 -6.233 411 HB2 LYS 58 1HB LYS 58 -6.509 -4.217 -6.871 412 HB3 LYS 58 2HB LYS 58 -5.799 -2.856 -6.014 413 HG2 LYS 58 1HG LYS 58 -4.379 -2.358 -7.970 414 HG3 LYS 58 2HG LYS 58 -5.094 -3.729 -8.831 415 HD2 LYS 58 1HD LYS 58 -7.335 -2.677 -8.618 416 HD3 LYS 58 2HD LYS 58 -6.596 -1.296 -7.794 417 HE2 LYS 58 1HE LYS 58 -5.229 -0.824 -9.795 418 HE3 LYS 58 2HE LYS 58 -5.944 -2.212 -10.620 419 HZ1 LYS 58 1HZ LYS 58 -7.012 -0.171 -11.239 420 HZ2 LYS 58 2HZ LYS 58 -8.084 -1.140 -10.443 421 HZ3 LYS 58 3HZ LYS 58 -7.415 0.157 -9.674 422 H ILE 59 H ILE 59 -6.173 -6.229 -5.336 423 HA ILE 59 HA ILE 59 -6.225 -5.479 -2.548 424 HB ILE 59 HB ILE 59 -6.988 -8.063 -3.995 425 HG12 ILE 59 1HG1 ILE 59 -8.771 -5.929 -2.810 426 HG13 ILE 59 2HG1 ILE 59 -8.277 -5.955 -4.495 427 HG21 ILE 59 1HG2 ILE 59 -8.159 -8.683 -1.921 428 HG22 ILE 59 2HG2 ILE 59 -6.408 -8.532 -1.645 429 HG23 ILE 59 3HG2 ILE 59 -7.506 -7.237 -1.115 430 HD11 ILE 59 1HD1 ILE 59 -10.486 -6.930 -4.213 431 HD12 ILE 59 2HD1 ILE 59 -9.328 -8.157 -4.783 432 HD13 ILE 59 3HD1 ILE 59 -9.830 -8.130 -3.076 433 H ALA 60 H ALA 60 -4.482 -8.085 -4.231 434 HA ALA 60 HA ALA 60 -3.207 -9.091 -1.891 435 HB1 ALA 60 1HB ALA 60 -1.590 -10.102 -3.458 436 HB2 ALA 60 2HB ALA 60 -3.266 -10.324 -4.016 437 HB3 ALA 60 3HB ALA 60 -2.233 -9.088 -4.770 438 H LYS 61 H LYS 61 -2.249 -6.541 -4.171 439 HA LYS 61 HA LYS 61 0.310 -5.970 -3.051 440 HB2 LYS 61 1HB LYS 61 -0.505 -5.024 -5.195 441 HB3 LYS 61 2HB LYS 61 -1.702 -4.073 -4.326 442 HG2 LYS 61 1HG LYS 61 0.115 -2.852 -3.169 443 HG3 LYS 61 2HG LYS 61 1.307 -3.794 -4.075 444 HD2 LYS 61 1HD LYS 61 0.439 -2.909 -6.194 445 HD3 LYS 61 2HD LYS 61 -0.822 -2.020 -5.327 446 HE2 LYS 61 1HE LYS 61 0.955 -0.748 -4.117 447 HE3 LYS 61 2HE LYS 61 2.178 -1.590 -5.073 448 HZ1 LYS 61 1HZ LYS 61 1.650 0.544 -5.998 449 HZ2 LYS 61 2HZ LYS 61 1.200 -0.644 -7.050 450 HZ3 LYS 61 3HZ LYS 61 0.058 0.143 -6.157 451 H ARG 62 H ARG 62 -2.879 -4.570 -2.261 452 HA ARG 62 HA ARG 62 -1.911 -2.849 -0.186 453 HB2 ARG 62 1HB ARG 62 -4.621 -4.152 -0.635 454 HB3 ARG 62 2HB ARG 62 -4.310 -2.975 0.632 455 HG2 ARG 62 1HG ARG 62 -3.831 -1.256 -0.991 456 HG3 ARG 62 2HG ARG 62 -3.934 -2.433 -2.323 457 HD2 ARG 62 1HD ARG 62 -6.275 -2.846 -1.733 458 HD3 ARG 62 2HD ARG 62 -6.154 -1.595 -0.474 459 HE ARG 62 HE ARG 62 -5.302 -0.420 -2.858 460 HH11 ARG 62 1HH1 ARG 62 -8.231 -1.876 -1.577 461 HH12 ARG 62 2HH1 ARG 62 -9.297 -0.892 -2.555 462 HH21 ARG 62 1HH2 ARG 62 -6.696 0.851 -4.122 463 HH22 ARG 62 2HH2 ARG 62 -8.430 0.652 -3.996 464 H LEU 63 H LEU 63 -3.126 -6.189 -0.090 465 HA LEU 63 HA LEU 63 -3.037 -6.453 2.761 466 HB2 LEU 63 1HB LEU 63 -2.786 -8.480 0.506 467 HB3 LEU 63 2HB LEU 63 -2.856 -8.934 2.211 468 HG LEU 63 HG LEU 63 -5.051 -7.420 0.756 469 HD11 LEU 63 1HD1 LEU 63 -6.243 -9.566 0.759 470 HD12 LEU 63 2HD1 LEU 63 -4.742 -9.649 -0.193 471 HD13 LEU 63 3HD1 LEU 63 -4.803 -10.364 1.435 472 HD21 LEU 63 1HD2 LEU 63 -6.368 -8.046 2.753 473 HD22 LEU 63 2HD2 LEU 63 -4.930 -8.823 3.458 474 HD23 LEU 63 3HD2 LEU 63 -4.953 -7.062 3.201 475 H ALA 64 H ALA 64 -0.615 -7.220 0.264 476 HA ALA 64 HA ALA 64 1.352 -8.230 2.055 477 HB1 ALA 64 1HB ALA 64 2.957 -7.734 0.247 478 HB2 ALA 64 2HB ALA 64 1.487 -8.517 -0.382 479 HB3 ALA 64 3HB ALA 64 1.718 -6.765 -0.582 480 H ALA 65 H ALA 65 0.720 -4.922 0.910 481 HA ALA 65 HA ALA 65 2.936 -3.696 2.213 482 HB1 ALA 65 1HB ALA 65 1.636 -1.608 2.009 483 HB2 ALA 65 2HB ALA 65 1.592 -2.554 0.502 484 HB3 ALA 65 3HB ALA 65 0.188 -2.554 1.594 485 H HIS 66 H HIS 66 -0.389 -4.298 3.340 486 HA HIS 66 HA HIS 66 -0.029 -3.028 5.900 487 HB2 HIS 66 1HB HIS 66 -1.979 -5.119 4.866 488 HB3 HIS 66 2HB HIS 66 -2.019 -4.546 6.528 489 HD2 HIS 66 HD2 HIS 66 -3.902 -3.794 3.493 490 HE1 HIS 66 HE1 HIS 66 -3.455 0.018 5.345 491 H ARG 67 H ARG 67 0.449 -6.352 4.772 492 HA ARG 67 HA ARG 67 1.036 -7.464 7.360 493 HB2 ARG 67 1HB ARG 67 1.826 -8.261 4.538 494 HB3 ARG 67 2HB ARG 67 2.300 -9.190 5.952 495 HG2 ARG 67 1HG ARG 67 -0.051 -9.597 6.502 496 HG3 ARG 67 2HG ARG 67 -0.550 -8.627 5.094 497 HD2 ARG 67 1HD ARG 67 -0.662 -10.892 4.466 498 HD3 ARG 67 2HD ARG 67 0.776 -10.201 3.678 499 HE ARG 67 HE ARG 67 2.113 -11.599 4.912 500 HH11 ARG 67 1HH1 ARG 67 -1.122 -11.591 6.283 501 HH12 ARG 67 2HH1 ARG 67 -0.798 -12.919 7.375 502 HH21 ARG 67 1HH2 ARG 67 2.521 -13.322 6.333 503 HH22 ARG 67 2HH2 ARG 67 1.264 -13.900 7.403 504 H MET 68 H MET 68 3.082 -5.948 4.886 505 HA MET 68 HA MET 68 5.565 -6.325 6.301 506 HB2 MET 68 1HB MET 68 4.622 -4.377 4.184 507 HB3 MET 68 2HB MET 68 6.227 -4.260 4.890 508 HG2 MET 68 1HG MET 68 5.113 -6.650 3.394 509 HG3 MET 68 2HG MET 68 6.270 -5.471 2.773 510 HE1 MET 68 1HE MET 68 9.505 -6.209 4.759 511 HE2 MET 68 2HE MET 68 8.776 -5.373 3.366 512 HE3 MET 68 3HE MET 68 8.304 -4.922 5.022 513 H TRP 69 H TRP 69 3.175 -3.690 6.310 514 HA TRP 69 HA TRP 69 4.603 -1.960 8.083 515 HB2 TRP 69 1HB TRP 69 2.615 -1.239 6.795 516 HB3 TRP 69 2HB TRP 69 1.602 -2.346 7.710 517 HD1 TRP 69 HD1 TRP 69 3.665 0.896 8.201 518 HE1 TRP 69 HE1 TRP 69 2.710 2.184 10.229 519 HE3 TRP 69 HE3 TRP 69 0.249 -2.578 9.802 520 HZ2 TRP 69 HZ2 TRP 69 0.759 1.761 12.226 521 HZ3 TRP 69 HZ3 TRP 69 -1.130 -2.075 11.780 522 HH2 TRP 69 HH2 TRP 69 -0.886 0.060 12.975 523 H MET 70 H MET 70 2.287 -4.579 8.745 524 HA MET 70 HA MET 70 2.357 -4.290 11.610 525 HB2 MET 70 1HB MET 70 1.740 -6.655 9.807 526 HB3 MET 70 2HB MET 70 1.578 -6.702 11.557 527 HG2 MET 70 1HG MET 70 -0.128 -4.975 11.498 528 HG3 MET 70 2HG MET 70 0.100 -4.758 9.760 529 HE1 MET 70 1HE MET 70 -1.807 -8.456 11.775 530 HE2 MET 70 2HE MET 70 -0.095 -8.027 12.015 531 HE3 MET 70 3HE MET 70 -1.377 -6.946 12.614 532 H ARG 71 H ARG 71 4.229 -6.350 9.382 533 HA ARG 71 HA ARG 71 5.819 -7.669 11.316 534 HB2 ARG 71 1HB ARG 71 5.872 -8.263 8.934 535 HB3 ARG 71 2HB ARG 71 6.551 -6.694 8.527 536 HG2 ARG 71 1HG ARG 71 8.583 -7.266 9.843 537 HG3 ARG 71 2HG ARG 71 7.896 -8.884 10.127 538 HD2 ARG 71 1HD ARG 71 8.352 -7.701 7.401 539 HD3 ARG 71 2HD ARG 71 9.518 -8.738 8.255 540 HE ARG 71 HE ARG 71 7.055 -9.542 6.949 541 HH11 ARG 71 1HH1 ARG 71 9.461 -10.384 9.366 542 HH12 ARG 71 2HH1 ARG 71 9.122 -12.098 9.288 543 HH21 ARG 71 1HH2 ARG 71 6.624 -11.770 6.857 544 HH22 ARG 71 2HH2 ARG 71 7.516 -12.884 7.868 545 H LEU 72 H LEU 72 6.348 -4.508 9.759 546 HA LEU 72 HA LEU 72 8.898 -4.132 11.127 547 HB2 LEU 72 1HB LEU 72 7.100 -2.207 9.598 548 HB3 LEU 72 2HB LEU 72 8.721 -1.818 10.182 549 HG LEU 72 HG LEU 72 8.069 -3.950 8.117 550 HD11 LEU 72 1HD1 LEU 72 9.082 -2.375 6.530 551 HD12 LEU 72 2HD1 LEU 72 7.630 -1.692 7.299 552 HD13 LEU 72 3HD1 LEU 72 9.247 -1.172 7.830 553 HD21 LEU 72 1HD2 LEU 72 10.521 -3.989 7.805 554 HD22 LEU 72 2HD2 LEU 72 10.707 -2.808 9.124 555 HD23 LEU 72 3HD2 LEU 72 10.080 -4.437 9.471 556 H GLN 73 H GLN 73 5.573 -3.038 11.629 557 HA GLN 73 HA GLN 73 6.120 -1.203 13.750 558 HB2 GLN 73 1HB GLN 73 3.919 -1.397 12.582 559 HB3 GLN 73 2HB GLN 73 3.673 -2.971 13.323 560 HG2 GLN 73 1HG GLN 73 2.415 -1.324 14.523 561 HG3 GLN 73 2HG GLN 73 3.751 -1.895 15.561 562 HE21 GLN 73 1HE2 GLN 73 4.661 1.371 16.263 563 HE22 GLN 73 2HE2 GLN 73 4.316 -0.234 16.816 564 H GLU 74 H GLU 74 5.381 -4.689 13.840 565 HA GLU 74 HA GLU 74 5.594 -4.901 16.709 566 HB2 GLU 74 1HB GLU 74 4.474 -6.592 15.224 567 HB3 GLU 74 2HB GLU 74 6.049 -7.033 14.580 568 HG2 GLU 74 1HG GLU 74 6.774 -7.782 16.791 569 HG3 GLU 74 2HG GLU 74 5.232 -7.281 17.483
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