NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
526932 | 2ll0 | 18018 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -4.651 -26.372 16.184 2 HA MET 1 HA MET 1 -3.698 -28.483 16.944 3 HB3 MET 1 2HB MET 1 -1.241 -27.248 18.071 4 HG3 MET 1 2HG MET 1 -1.869 -29.761 16.466 5 HE1 MET 1 3HE MET 1 0.264 -29.611 14.949 6 HE2 MET 1 1HE MET 1 0.839 -28.072 15.640 7 HE3 MET 1 2HE MET 1 1.927 -29.470 15.562 8 H THR 2 H THR 2 -2.384 -25.822 19.060 9 HA THR 2 HA THR 2 -4.891 -25.793 20.589 10 HB THR 2 HB THR 2 -2.837 -25.267 21.796 11 HG1 THR 2 1HG THR 2 -3.462 -23.187 22.519 12 HG21 THR 2 3HG2 THR 2 -1.519 -23.247 21.327 13 HG22 THR 2 1HG2 THR 2 -2.419 -22.978 19.828 14 HG23 THR 2 2HG2 THR 2 -1.377 -24.409 20.009 15 H THR 3 H THR 3 -5.569 -23.154 20.427 16 HA THR 3 HA THR 3 -6.597 -22.901 17.744 17 HB THR 3 HB THR 3 -7.754 -22.238 19.861 18 HG1 THR 3 1HG THR 3 -8.563 -20.249 18.890 19 HG21 THR 3 3HG2 THR 3 -7.415 -20.075 20.869 20 HG22 THR 3 1HG2 THR 3 -6.062 -19.711 19.785 21 HG23 THR 3 2HG2 THR 3 -5.919 -21.005 20.994 22 H PHE 4 H PHE 4 -6.367 -20.190 17.168 23 HA PHE 4 HA PHE 4 -3.552 -19.873 16.368 24 HB3 PHE 4 2HB PHE 4 -4.914 -19.518 14.514 25 HD1 PHE 4 1HD PHE 4 -7.204 -20.402 14.686 26 HD2 PHE 4 2HD PHE 4 -6.262 -16.422 16.046 27 HE1 PHE 4 1HE PHE 4 -9.618 -19.868 14.827 28 HE2 PHE 4 2HE PHE 4 -8.686 -15.913 16.238 29 HZ PHE 4 HZ PHE 4 -10.367 -17.623 15.604 30 H ASP 5 H ASP 5 -2.441 -19.098 18.214 31 HA ASP 5 HA ASP 5 -3.313 -16.413 19.094 32 HB3 ASP 5 2HB ASP 5 -2.450 -18.394 21.205 33 H ASP 6 H ASP 6 -1.467 -15.652 20.759 34 HA ASP 6 HA ASP 6 0.669 -15.150 21.274 35 HB3 ASP 6 2HB ASP 6 2.434 -17.074 20.664 36 H ARG 7 H ARG 7 3.133 -15.355 20.068 37 HA ARG 7 HA ARG 7 2.816 -14.354 17.267 38 HB3 ARG 7 2HB ARG 7 5.360 -13.985 17.524 39 HG3 ARG 7 2HG ARG 7 3.533 -12.276 19.253 40 HD3 ARG 7 2HD ARG 7 6.149 -11.789 17.784 41 HE ARG 7 HE ARG 7 4.272 -9.818 18.906 42 HH11 ARG 7 1HH1 ARG 7 7.579 -10.436 17.675 43 HH12 ARG 7 2HH1 ARG 7 8.084 -8.795 17.793 44 HH21 ARG 7 1HH2 ARG 7 4.911 -7.554 18.827 45 HH22 ARG 7 2HH2 ARG 7 6.553 -7.145 18.472 46 H GLU 8 H GLU 8 2.261 -17.166 18.202 47 HA GLU 8 HA GLU 8 4.400 -18.770 17.082 48 HB3 GLU 8 2HB GLU 8 1.576 -19.451 17.905 49 HG3 GLU 8 2HG GLU 8 2.548 -21.170 16.436 50 H ARG 9 H ARG 9 0.917 -18.906 15.804 51 HA ARG 9 HA ARG 9 2.213 -19.247 13.147 52 HB3 ARG 9 2HB ARG 9 0.252 -20.633 12.567 53 HG3 ARG 9 2HG ARG 9 0.687 -22.620 13.571 54 HD3 ARG 9 2HD ARG 9 3.312 -21.291 14.315 55 HE ARG 9 HE ARG 9 2.712 -23.924 13.882 56 HH11 ARG 9 1HH1 ARG 9 5.055 -21.638 12.550 57 HH12 ARG 9 2HH1 ARG 9 5.752 -22.745 11.425 58 HH21 ARG 9 1HH2 ARG 9 3.593 -25.423 12.353 59 HH22 ARG 9 2HH2 ARG 9 4.832 -24.942 11.229 60 H ALA 10 H ALA 10 0.738 -16.788 14.502 61 HA ALA 10 HA ALA 10 -1.528 -16.459 12.600 62 HB1 ALA 10 1HB ALA 10 -0.986 -14.904 15.157 63 HB2 ALA 10 2HB ALA 10 -2.427 -14.809 14.141 64 HB3 ALA 10 3HB ALA 10 -2.068 -16.312 15.016 65 H HIS 11 H HIS 11 1.609 -15.248 13.294 66 HA HIS 11 HA HIS 11 1.389 -13.177 11.214 67 HB3 HIS 11 2HB HIS 11 2.718 -11.649 12.572 68 HD1 HIS 11 1HD HIS 11 0.394 -10.243 12.307 69 HD2 HIS 11 2HD HIS 11 0.489 -13.122 15.380 70 HE1 HIS 11 1HE HIS 11 -1.855 -10.144 13.456 71 H GLU 12 H GLU 12 3.627 -14.616 13.397 72 HA GLU 12 HA GLU 12 5.906 -14.575 11.723 73 HB3 GLU 12 2HB GLU 12 6.859 -16.267 13.399 74 HG3 GLU 12 2HG GLU 12 5.897 -14.396 15.342 75 H ALA 13 H ALA 13 3.358 -17.091 11.898 76 HA ALA 13 HA ALA 13 4.908 -18.502 9.740 77 HB1 ALA 13 1HB ALA 13 2.319 -19.432 10.990 78 HB2 ALA 13 2HB ALA 13 3.363 -20.288 9.856 79 HB3 ALA 13 3HB ALA 13 3.954 -19.959 11.482 80 H LYS 14 H LYS 14 1.856 -16.757 10.462 81 HA LYS 14 HA LYS 14 0.638 -17.439 8.073 82 HB3 LYS 14 2HB LYS 14 -0.089 -14.722 9.030 83 HG3 LYS 14 2HG LYS 14 -1.413 -17.493 8.945 84 HD3 LYS 14 2HD LYS 14 -2.729 -14.867 9.668 85 HE3 LYS 14 2HE LYS 14 -4.041 -16.413 8.133 86 HZ1 LYS 14 3HZ LYS 14 -3.380 -18.539 9.278 87 HZ2 LYS 14 1HZ LYS 14 -4.983 -18.333 9.065 88 HZ3 LYS 14 2HZ LYS 14 -4.335 -18.111 10.540 89 H PHE 15 H PHE 15 2.983 -14.962 8.531 90 HA PHE 15 HA PHE 15 2.594 -13.925 5.763 91 HB3 PHE 15 2HB PHE 15 4.038 -12.152 6.671 92 HD1 PHE 15 1HD PHE 15 1.020 -12.403 6.244 93 HD2 PHE 15 2HD PHE 15 3.305 -11.650 9.812 94 HE1 PHE 15 1HE PHE 15 -0.924 -11.275 7.250 95 HE2 PHE 15 2HE PHE 15 1.420 -10.428 10.762 96 HZ PHE 15 HZ PHE 15 -0.755 -10.302 9.522 97 H ALA 16 H ALA 16 4.513 -16.149 7.534 98 HA ALA 16 HA ALA 16 6.912 -16.111 5.883 99 HB1 ALA 16 1HB ALA 16 5.649 -18.434 7.411 100 HB2 ALA 16 2HB ALA 16 7.322 -18.291 6.856 101 HB3 ALA 16 3HB ALA 16 6.748 -17.228 8.153 102 H HIS 17 H HIS 17 3.581 -17.112 5.477 103 HA HIS 17 HA HIS 17 4.327 -19.041 3.394 104 HB3 HIS 17 2HB HIS 17 3.289 -19.824 5.481 105 HD1 HIS 17 1HD HIS 17 0.309 -18.294 3.463 106 HD2 HIS 17 2HD HIS 17 1.651 -19.623 7.230 107 HE1 HIS 17 1HE HIS 17 -1.722 -18.173 5.014 108 H ASP 18 H ASP 18 3.829 -16.057 3.079 109 HA ASP 18 HA ASP 18 2.798 -14.563 1.724 110 HB3 ASP 18 2HB ASP 18 2.207 -15.140 -0.553 111 H ALA 19 H ALA 19 0.396 -15.071 0.070 112 HA ALA 19 HA ALA 19 -1.836 -14.994 0.166 113 HB1 ALA 19 1HB ALA 19 -1.690 -17.367 0.735 114 HB2 ALA 19 2HB ALA 19 -1.611 -16.977 2.463 115 HB3 ALA 19 3HB ALA 19 -3.066 -16.593 1.538 116 H GLU 20 H GLU 20 -1.099 -15.081 3.675 117 HA GLU 20 HA GLU 20 -3.201 -13.148 4.257 118 HB3 GLU 20 2HB GLU 20 -0.852 -13.664 6.079 119 HG3 GLU 20 2HG GLU 20 -3.039 -12.270 6.629 120 H LEU 21 H LEU 21 0.297 -13.079 3.729 121 HA LEU 21 HA LEU 21 0.773 -10.401 4.551 122 HB3 LEU 21 2HB LEU 21 2.332 -12.148 2.604 123 HG LEU 21 HG LEU 21 2.906 -9.486 3.874 124 HD11 LEU 21 1HD1 LEU 21 5.389 -10.061 3.966 125 HD12 LEU 21 2HD1 LEU 21 4.903 -11.767 3.967 126 HD13 LEU 21 3HD1 LEU 21 4.384 -10.650 5.264 127 HD21 LEU 21 3HD2 LEU 21 4.142 -10.986 1.552 128 HD22 LEU 21 1HD2 LEU 21 4.467 -9.313 1.985 129 HD23 LEU 21 2HD2 LEU 21 2.854 -9.767 1.405 130 H ASN 22 H ASN 22 -0.379 -11.672 1.460 131 HA ASN 22 HA ASN 22 0.028 -9.417 -0.221 132 HB3 ASN 22 2HB ASN 22 -2.135 -10.116 -1.333 133 HD21 ASN 22 1HD2 ASN 22 -1.584 -13.316 -0.642 134 HD22 ASN 22 2HD2 ASN 22 -0.459 -13.620 -1.968 135 H PHE 23 H PHE 23 -2.570 -10.200 2.066 136 HA PHE 23 HA PHE 23 -4.327 -8.112 1.296 137 HB3 PHE 23 2HB PHE 23 -4.397 -9.311 4.064 138 HD1 PHE 23 2HD PHE 23 -6.395 -10.278 1.081 139 HD2 PHE 23 1HD PHE 23 -6.278 -7.854 4.648 140 HE1 PHE 23 2HE PHE 23 -8.834 -9.872 0.888 141 HE2 PHE 23 1HE PHE 23 -8.727 -7.442 4.431 142 HZ PHE 23 HZ PHE 23 -9.999 -8.455 2.555 143 H LYS 24 H LYS 24 -2.100 -8.484 4.090 144 HA LYS 24 HA LYS 24 -2.460 -5.930 5.229 145 HB3 LYS 24 2HB LYS 24 -0.306 -6.309 6.257 146 HG3 LYS 24 2HG LYS 24 -0.673 -9.040 6.641 147 HD3 LYS 24 2HD LYS 24 -1.929 -8.405 8.699 148 HE3 LYS 24 2HE LYS 24 0.496 -6.681 8.037 149 HZ1 LYS 24 3HZ LYS 24 -0.491 -6.088 10.127 150 HZ2 LYS 24 1HZ LYS 24 0.989 -6.745 10.309 151 HZ3 LYS 24 2HZ LYS 24 -0.323 -7.651 10.690 152 H ALA 25 H ALA 25 0.062 -7.036 2.881 153 HA ALA 25 HA ALA 25 1.497 -4.614 2.866 154 HB1 ALA 25 1HB ALA 25 1.326 -6.785 0.726 155 HB2 ALA 25 2HB ALA 25 2.595 -5.542 0.855 156 HB3 ALA 25 3HB ALA 25 2.430 -6.774 2.122 157 H GLU 26 H GLU 26 -1.163 -5.758 0.745 158 HA GLU 26 HA GLU 26 -1.146 -3.641 -1.133 159 HB3 GLU 26 2HB GLU 26 -3.762 -4.374 -1.060 160 HG3 GLU 26 2HG GLU 26 -1.388 -6.089 -1.893 161 H ALA 27 H ALA 27 -2.980 -3.959 1.925 162 HA ALA 27 HA ALA 27 -3.897 -1.232 1.872 163 HB1 ALA 27 1HB ALA 27 -3.813 -3.241 4.165 164 HB2 ALA 27 2HB ALA 27 -4.738 -1.731 4.120 165 HB3 ALA 27 3HB ALA 27 -5.135 -3.036 3.010 166 H ARG 28 H ARG 28 -0.773 -1.913 1.944 167 HA ARG 28 HA ARG 28 -0.177 0.274 3.911 168 HB3 ARG 28 2HB ARG 28 1.819 -1.834 3.154 169 HG3 ARG 28 2HG ARG 28 1.987 0.635 4.578 170 HD3 ARG 28 2HD ARG 28 2.718 -0.206 6.813 171 HE ARG 28 HE ARG 28 -0.064 0.008 6.053 172 HH11 ARG 28 1HH1 ARG 28 1.982 -1.042 8.848 173 HH12 ARG 28 2HH1 ARG 28 0.801 -0.565 9.980 174 HH21 ARG 28 1HH2 ARG 28 -1.602 0.700 7.714 175 HH22 ARG 28 2HH2 ARG 28 -1.227 0.241 9.347 176 H ARG 29 H ARG 29 1.052 -1.392 0.973 177 HA ARG 29 HA ARG 29 2.722 0.596 0.017 178 HB3 ARG 29 2HB ARG 29 2.651 -1.654 -0.870 179 HG3 ARG 29 2HG ARG 29 0.008 -1.645 -1.141 180 HD3 ARG 29 2HD ARG 29 1.106 -1.309 -3.960 181 HE ARG 29 HE ARG 29 -1.549 -2.099 -2.868 182 HH11 ARG 29 1HH1 ARG 29 -0.192 -0.636 -5.771 183 HH12 ARG 29 2HH1 ARG 29 -1.118 -1.675 -6.849 184 HH21 ARG 29 1HH2 ARG 29 -3.024 -2.918 -4.149 185 HH22 ARG 29 2HH2 ARG 29 -3.020 -2.711 -5.879 186 H ASN 30 H ASN 30 -0.830 0.399 -0.569 187 HA ASN 30 HA ASN 30 -0.974 2.614 -2.306 188 HB3 ASN 30 2HB ASN 30 -3.343 2.847 -1.404 189 HD21 ASN 30 1HD2 ASN 30 -5.047 0.900 -1.863 190 HD22 ASN 30 2HD2 ASN 30 -4.585 -0.062 -3.244 191 H ARG 31 H ARG 31 -0.921 2.570 1.269 192 HA ARG 31 HA ARG 31 -1.511 5.395 1.585 193 HB3 ARG 31 2HB ARG 31 -0.531 3.164 3.390 194 HG3 ARG 31 2HG ARG 31 -1.243 4.863 5.228 195 HD3 ARG 31 2HD ARG 31 1.553 5.495 4.402 196 HE ARG 31 HE ARG 31 0.486 5.696 6.753 197 HH11 ARG 31 1HH1 ARG 31 2.909 3.267 5.731 198 HH12 ARG 31 2HH1 ARG 31 3.351 2.944 7.363 199 HH21 ARG 31 1HH2 ARG 31 0.807 4.872 8.814 200 HH22 ARG 31 2HH2 ARG 31 2.230 3.957 9.189 201 H LEU 32 H LEU 32 1.534 3.471 1.376 202 HA LEU 32 HA LEU 32 3.278 5.703 1.773 203 HB3 LEU 32 2HB LEU 32 4.836 4.131 0.286 204 HG LEU 32 HG LEU 32 5.311 4.559 2.608 205 HD11 LEU 32 1HD1 LEU 32 4.376 3.303 4.415 206 HD12 LEU 32 2HD1 LEU 32 3.294 2.393 3.321 207 HD13 LEU 32 3HD1 LEU 32 3.096 4.157 3.571 208 HD21 LEU 32 3HD2 LEU 32 6.164 2.285 3.316 209 HD22 LEU 32 1HD2 LEU 32 6.644 2.776 1.717 210 HD23 LEU 32 2HD2 LEU 32 5.335 1.570 1.929 211 H LEU 33 H LEU 33 1.695 4.501 -1.308 212 HA LEU 33 HA LEU 33 3.107 6.440 -2.896 213 HB3 LEU 33 2HB LEU 33 0.715 5.819 -4.176 214 HG LEU 33 HG LEU 33 3.487 5.149 -4.474 215 HD11 LEU 33 1HD1 LEU 33 1.786 2.733 -5.123 216 HD12 LEU 33 2HD1 LEU 33 2.651 2.888 -3.578 217 HD13 LEU 33 3HD1 LEU 33 3.559 2.913 -5.082 218 HD21 LEU 33 3HD2 LEU 33 2.125 6.210 -6.222 219 HD22 LEU 33 1HD2 LEU 33 1.240 4.685 -6.463 220 HD23 LEU 33 2HD2 LEU 33 2.990 4.777 -6.805 221 H GLY 34 H GLY 34 -0.024 6.390 -1.169 222 HA2 GLY 34 1HA GLY 34 -1.100 8.733 -2.270 223 HA3 GLY 34 2HA GLY 34 -1.478 8.074 -0.673 224 H GLU 35 H GLU 35 0.950 8.363 0.703 225 HA GLU 35 HA GLU 35 0.943 11.189 1.224 226 HB3 GLU 35 2HB GLU 35 1.213 9.724 3.027 227 HG3 GLU 35 2HG GLU 35 2.781 8.060 1.475 228 H TRP 36 H TRP 36 3.070 9.192 -0.805 229 HA TRP 36 HA TRP 36 5.079 11.193 -1.317 230 HB3 TRP 36 2HB TRP 36 3.998 8.831 -2.861 231 HD1 TRP 36 HD TRP 36 7.056 11.156 -3.348 232 HE1 TRP 36 1HE TRP 36 7.431 11.508 -5.856 233 HE3 TRP 36 3HE TRP 36 3.254 8.209 -5.203 234 HZ2 TRP 36 2HZ TRP 36 6.225 10.717 -8.309 235 HZ3 TRP 36 3HZ TRP 36 2.866 8.141 -7.699 236 HH2 TRP 36 HH TRP 36 4.319 9.433 -9.216 237 H ALA 37 H ALA 37 2.127 10.277 -3.155 238 HA ALA 37 HA ALA 37 2.350 12.403 -4.987 239 HB1 ALA 37 1HB ALA 37 -0.091 11.787 -5.488 240 HB2 ALA 37 2HB ALA 37 1.093 10.454 -5.540 241 HB3 ALA 37 3HB ALA 37 0.055 10.632 -4.140 242 H ALA 38 H ALA 38 0.538 12.326 -1.856 243 HA ALA 38 HA ALA 38 -0.674 14.882 -2.043 244 HB1 ALA 38 1HB ALA 38 -1.110 13.273 -0.220 245 HB2 ALA 38 2HB ALA 38 0.538 13.521 0.402 246 HB3 ALA 38 3HB ALA 38 -0.629 14.858 0.412 247 H GLY 39 H GLY 39 2.656 13.943 -1.249 248 HA2 GLY 39 1HA GLY 39 3.673 16.579 -0.614 249 HA3 GLY 39 2HA GLY 39 4.568 15.072 -0.820 250 H LEU 40 H LEU 40 2.799 15.241 -3.584 251 HA LEU 40 HA LEU 40 4.656 17.019 -5.064 252 HB3 LEU 40 2HB LEU 40 3.611 15.769 -7.022 253 HG LEU 40 HG LEU 40 4.985 14.030 -4.942 254 HD11 LEU 40 1HD1 LEU 40 3.901 12.540 -6.521 255 HD12 LEU 40 2HD1 LEU 40 5.539 12.761 -7.156 256 HD13 LEU 40 3HD1 LEU 40 4.205 13.640 -7.885 257 HD21 LEU 40 3HD2 LEU 40 6.892 14.484 -6.579 258 HD22 LEU 40 1HD2 LEU 40 6.330 15.903 -5.657 259 HD23 LEU 40 2HD2 LEU 40 5.833 15.683 -7.360 260 H LEU 41 H LEU 41 1.205 16.254 -4.488 261 HA LEU 41 HA LEU 41 0.173 18.257 -6.296 262 HB3 LEU 41 2HB LEU 41 -1.930 17.950 -4.918 263 HG LEU 41 HG LEU 41 -0.416 15.734 -6.264 264 HD11 LEU 41 1HD1 LEU 41 -3.016 15.011 -4.971 265 HD12 LEU 41 2HD1 LEU 41 -1.464 14.638 -4.207 266 HD13 LEU 41 3HD1 LEU 41 -1.851 13.975 -5.800 267 HD21 LEU 41 3HD2 LEU 41 -1.945 17.298 -7.516 268 HD22 LEU 41 1HD2 LEU 41 -3.312 16.607 -6.574 269 HD23 LEU 41 2HD2 LEU 41 -2.397 15.581 -7.650 270 H GLY 42 H GLY 42 1.151 18.231 -2.846 271 HA2 GLY 42 1HA GLY 42 2.446 20.066 -2.020 272 HA3 GLY 42 2HA GLY 42 1.464 21.205 -2.952 273 H LYS 43 H LYS 43 0.106 18.502 -1.100 274 HA LYS 43 HA LYS 43 -1.719 20.404 -0.064 275 HB3 LYS 43 2HB LYS 43 -2.749 18.408 1.098 276 HG3 LYS 43 2HG LYS 43 -2.979 16.856 -0.809 277 HD3 LYS 43 2HD LYS 43 -3.709 19.746 -0.962 278 HE3 LYS 43 2HE LYS 43 -3.530 17.927 -3.374 279 HZ1 LYS 43 3HZ LYS 43 -5.062 19.439 -4.422 280 HZ2 LYS 43 1HZ LYS 43 -5.421 20.139 -2.963 281 HZ3 LYS 43 2HZ LYS 43 -5.797 18.547 -3.243 282 H THR 44 H THR 44 -2.388 20.638 2.216 283 HA THR 44 HA THR 44 -0.357 20.103 4.270 284 HB THR 44 HB THR 44 -0.774 22.434 5.150 285 HG1 THR 44 1HG THR 44 -2.390 22.564 2.958 286 HG21 THR 44 3HG2 THR 44 0.869 23.525 3.765 287 HG22 THR 44 1HG2 THR 44 0.593 22.394 2.426 288 HG23 THR 44 2HG2 THR 44 1.322 21.824 3.946 289 H GLY 45 H GLY 45 -1.430 20.489 6.497 290 HA2 GLY 45 1HA GLY 45 -3.121 20.551 7.970 291 HA3 GLY 45 2HA GLY 45 -4.229 21.055 6.675 292 H ASP 46 H ASP 46 -5.902 19.606 6.620 293 HA ASP 46 HA ASP 46 -5.330 16.753 7.148 294 HB3 ASP 46 2HB ASP 46 -7.926 16.650 6.848 295 H ASP 47 H ASP 47 -5.665 18.880 4.435 296 HA ASP 47 HA ASP 47 -7.035 17.086 2.644 297 HB3 ASP 47 2HB ASP 47 -5.438 18.590 0.998 298 H ALA 48 H ALA 48 -3.681 17.497 3.624 299 HA ALA 48 HA ALA 48 -2.525 15.750 1.633 300 HB1 ALA 48 1HB ALA 48 -1.497 16.567 4.402 301 HB2 ALA 48 2HB ALA 48 -0.521 15.879 3.087 302 HB3 ALA 48 3HB ALA 48 -1.225 17.502 2.933 303 H ARG 49 H ARG 49 -3.806 15.449 4.894 304 HA ARG 49 HA ARG 49 -2.909 12.754 5.377 305 HB3 ARG 49 2HB ARG 49 -4.545 12.756 7.227 306 HG3 ARG 49 2HG ARG 49 -3.030 15.399 7.083 307 HD3 ARG 49 2HD ARG 49 -4.627 15.091 9.014 308 HE ARG 49 HE ARG 49 -3.207 12.583 9.268 309 HH11 ARG 49 1HH1 ARG 49 -4.676 15.163 11.244 310 HH12 ARG 49 2HH1 ARG 49 -4.959 14.156 12.614 311 HH21 ARG 49 1HH2 ARG 49 -3.617 11.234 11.109 312 HH22 ARG 49 2HH2 ARG 49 -4.255 11.929 12.568 313 H ALA 50 H ALA 50 -6.062 14.172 4.451 314 HA ALA 50 HA ALA 50 -7.475 11.866 4.067 315 HB1 ALA 50 1HB ALA 50 -8.929 13.252 2.568 316 HB2 ALA 50 2HB ALA 50 -8.502 14.078 4.084 317 HB3 ALA 50 3HB ALA 50 -7.669 14.505 2.569 318 H TYR 51 H TYR 51 -5.467 13.518 1.587 319 HA TYR 51 HA TYR 51 -6.131 11.754 -0.519 320 HB3 TYR 51 2HB TYR 51 -3.588 13.357 -0.071 321 HD1 TYR 51 1HD TYR 51 -2.424 11.476 -1.296 322 HD2 TYR 51 2HD TYR 51 -5.604 13.762 -3.095 323 HE1 TYR 51 1HE TYR 51 -1.853 10.560 -3.448 324 HE2 TYR 51 2HE TYR 51 -4.706 13.205 -5.356 325 HH TYR 51 HH TYR 51 -3.732 11.087 -6.349 326 H ALA 52 H ALA 52 -3.553 11.448 1.970 327 HA ALA 52 HA ALA 52 -2.549 8.954 0.849 328 HB1 ALA 52 1HB ALA 52 -1.237 8.787 2.882 329 HB2 ALA 52 2HB ALA 52 -1.177 10.458 2.300 330 HB3 ALA 52 3HB ALA 52 -2.232 10.027 3.676 331 H LEU 53 H LEU 53 -5.256 9.796 2.839 332 HA LEU 53 HA LEU 53 -5.615 7.022 3.868 333 HB3 LEU 53 2HB LEU 53 -6.846 8.166 5.711 334 HG LEU 53 HG LEU 53 -3.994 9.194 5.367 335 HD11 LEU 53 1HD1 LEU 53 -5.324 10.564 6.936 336 HD12 LEU 53 2HD1 LEU 53 -4.057 9.647 7.763 337 HD13 LEU 53 3HD1 LEU 53 -5.757 9.110 7.849 338 HD21 LEU 53 3HD2 LEU 53 -5.121 6.806 6.878 339 HD22 LEU 53 1HD2 LEU 53 -3.438 7.394 6.973 340 HD23 LEU 53 2HD2 LEU 53 -4.062 6.759 5.442 341 H THR 54 H THR 54 -6.397 7.165 1.440 342 HA THR 54 HA THR 54 -9.312 6.940 1.612 343 HB THR 54 HB THR 54 -8.969 9.244 1.000 344 HG1 THR 54 1HG THR 54 -10.358 7.563 -0.614 345 HG21 THR 54 3HG2 THR 54 -7.950 10.097 -0.936 346 HG22 THR 54 1HG2 THR 54 -7.639 8.487 -1.603 347 HG23 THR 54 2HG2 THR 54 -6.775 9.048 -0.155 348 H VAL 55 H VAL 55 -6.707 6.878 -0.908 349 HA VAL 55 HA VAL 55 -7.575 4.717 -2.352 350 HB VAL 55 HB VAL 55 -5.202 4.649 -3.180 351 HG11 VAL 55 1HG1 VAL 55 -6.945 6.192 -4.099 352 HG12 VAL 55 2HG1 VAL 55 -6.300 7.475 -3.048 353 HG13 VAL 55 3HG1 VAL 55 -5.277 6.742 -4.294 354 HG21 VAL 55 3HG2 VAL 55 -4.699 6.934 -1.227 355 HG22 VAL 55 1HG2 VAL 55 -4.093 5.276 -1.018 356 HG23 VAL 55 2HG2 VAL 55 -3.574 6.243 -2.404 357 H VAL 56 H VAL 56 -6.936 4.083 0.779 358 HA VAL 56 HA VAL 56 -5.417 1.570 0.308 359 HB VAL 56 HB VAL 56 -3.932 3.272 1.253 360 HG11 VAL 56 1HG1 VAL 56 -4.299 4.218 3.532 361 HG12 VAL 56 2HG1 VAL 56 -5.467 4.804 2.353 362 HG13 VAL 56 3HG1 VAL 56 -5.944 3.557 3.515 363 HG21 VAL 56 3HG2 VAL 56 -3.631 0.957 1.919 364 HG22 VAL 56 1HG2 VAL 56 -3.163 2.041 3.230 365 HG23 VAL 56 2HG2 VAL 56 -4.700 1.182 3.320 366 H THR 57 H THR 57 -6.260 -0.175 1.336 367 HA THR 57 HA THR 57 -7.675 -1.584 2.051 368 HB THR 57 HB THR 57 -7.233 -1.194 4.246 369 HG1 THR 57 1HG THR 57 -10.051 -0.951 4.148 370 HG21 THR 57 3HG2 THR 57 -7.329 1.237 4.477 371 HG22 THR 57 1HG2 THR 57 -8.289 0.448 5.713 372 HG23 THR 57 2HG2 THR 57 -9.109 1.193 4.318 373 H SER 58 H SER 58 -9.467 1.508 2.198 374 HA SER 58 HA SER 58 -11.544 2.080 1.648 375 HB3 SER 58 2HB SER 58 -10.788 2.398 -0.482 376 HG SER 58 HG SER 58 -10.354 -0.374 -0.532 377 H ASP 59 H ASP 59 -13.668 1.010 0.430 378 HA ASP 59 HA ASP 59 -14.466 -1.301 2.113 379 HB3 ASP 59 2HB ASP 59 -16.681 -0.458 0.605 380 H PHE 60 H PHE 60 -15.944 -2.839 0.812 381 HA PHE 60 HA PHE 60 -14.228 -4.078 -1.092 382 HB3 PHE 60 2HB PHE 60 -17.024 -5.101 -0.776 383 HD1 PHE 60 2HD PHE 60 -14.329 -6.010 -2.419 384 HD2 PHE 60 1HD PHE 60 -16.217 -7.218 1.268 385 HE1 PHE 60 2HE PHE 60 -13.270 -8.243 -2.586 386 HE2 PHE 60 1HE PHE 60 -15.190 -9.445 1.075 387 HZ PHE 60 HZ PHE 60 -13.674 -9.956 -0.840 388 H ASP 61 H ASP 61 -15.622 -1.454 -1.965 389 HA ASP 61 HA ASP 61 -16.568 -2.376 -4.621 390 HB3 ASP 61 2HB ASP 61 -18.551 -1.650 -3.680 391 H GLU 62 H GLU 62 -13.920 -1.393 -3.383 392 HA GLU 62 HA GLU 62 -13.372 0.787 -5.344 393 HB3 GLU 62 2HB GLU 62 -11.754 -0.041 -2.941 394 HG3 GLU 62 2HG GLU 62 -11.234 1.878 -4.881 395 HA PRO 63 HA PRO 63 -11.051 -2.885 -7.082 396 HB3 PRO 63 2HB PRO 63 -12.922 -3.425 -8.390 397 HG3 PRO 63 2HG PRO 63 -14.302 -1.718 -9.328 398 HD3 PRO 63 2HD PRO 63 -14.351 -1.231 -7.055 399 H GLY 64 H GLY 64 -9.225 -2.899 -8.720 400 HA2 GLY 64 1HA GLY 64 -8.586 -0.359 -9.966 401 HA3 GLY 64 2HA GLY 64 -7.534 -0.756 -8.635 402 H ASP 65 H ASP 65 -6.732 -3.209 -8.827 403 HA ASP 65 HA ASP 65 -4.835 -4.055 -9.498 404 HB3 ASP 65 2HB ASP 65 -5.002 -4.983 -11.999 405 H GLU 66 H GLU 66 -5.446 -2.591 -12.727 406 HA GLU 66 HA GLU 66 -2.783 -1.259 -12.505 407 HB3 GLU 66 2HB GLU 66 -3.206 -0.854 -14.997 408 HG3 GLU 66 2HG GLU 66 -2.866 -3.184 -15.720 409 H ASP 67 H ASP 67 -5.900 -0.384 -11.677 410 HA ASP 67 HA ASP 67 -6.198 2.007 -13.339 411 HB3 ASP 67 2HB ASP 67 -7.767 2.100 -10.858 412 H VAL 68 H VAL 68 -4.735 1.253 -10.259 413 HA VAL 68 HA VAL 68 -4.304 3.627 -9.023 414 HB VAL 68 HB VAL 68 -3.575 1.307 -8.472 415 HG11 VAL 68 1HG1 VAL 68 -1.067 1.844 -10.068 416 HG12 VAL 68 2HG1 VAL 68 -1.451 0.413 -9.095 417 HG13 VAL 68 3HG1 VAL 68 -2.381 0.756 -10.569 418 HG21 VAL 68 3HG2 VAL 68 -1.425 3.421 -8.092 419 HG22 VAL 68 1HG2 VAL 68 -2.901 3.259 -7.124 420 HG23 VAL 68 2HG2 VAL 68 -1.683 1.974 -7.104 421 H PHE 69 H PHE 69 -2.676 2.556 -12.048 422 HA PHE 69 HA PHE 69 -0.711 4.677 -12.023 423 HB3 PHE 69 2HB PHE 69 -1.810 2.860 -14.199 424 HD1 PHE 69 2HD PHE 69 1.574 4.419 -13.479 425 HD2 PHE 69 1HD PHE 69 -1.731 4.016 -16.255 426 HE1 PHE 69 2HE PHE 69 2.796 5.708 -15.138 427 HE2 PHE 69 1HE PHE 69 -0.425 5.243 -17.948 428 HZ PHE 69 HZ PHE 69 1.884 6.030 -17.431 429 H ARG 70 H ARG 70 -3.794 4.147 -13.731 430 HA ARG 70 HA ARG 70 -4.028 6.740 -14.939 431 HB3 ARG 70 2HB ARG 70 -6.606 5.864 -14.712 432 HG3 ARG 70 2HG ARG 70 -5.670 3.993 -16.534 433 HD3 ARG 70 2HD ARG 70 -7.339 5.723 -16.974 434 HE ARG 70 HE ARG 70 -5.033 7.573 -16.987 435 HH11 ARG 70 1HH1 ARG 70 -8.500 7.152 -17.750 436 HH12 ARG 70 2HH1 ARG 70 -8.747 8.849 -18.006 437 HH21 ARG 70 1HH2 ARG 70 -5.439 9.806 -17.204 438 HH22 ARG 70 2HH2 ARG 70 -7.020 10.391 -17.530 439 H LYS 71 H LYS 71 -5.042 5.510 -11.746 440 HA LYS 71 HA LYS 71 -6.724 7.669 -11.061 441 HB3 LYS 71 2HB LYS 71 -5.107 5.852 -9.188 442 HG3 LYS 71 2HG LYS 71 -6.528 7.794 -8.205 443 HD3 LYS 71 2HD LYS 71 -8.818 5.864 -8.581 444 HE3 LYS 71 2HE LYS 71 -8.609 8.887 -8.276 445 HZ1 LYS 71 3HZ LYS 71 -10.959 8.822 -8.102 446 HZ2 LYS 71 1HZ LYS 71 -11.027 7.193 -8.260 447 HZ3 LYS 71 2HZ LYS 71 -10.527 8.128 -9.534 448 H LEU 72 H LEU 72 -3.336 6.990 -10.251 449 HA LEU 72 HA LEU 72 -2.837 9.519 -8.880 450 HB3 LEU 72 2HB LEU 72 -0.400 8.692 -9.418 451 HG LEU 72 HG LEU 72 -0.491 6.708 -7.833 452 HD11 LEU 72 1HD1 LEU 72 -0.652 8.221 -5.888 453 HD12 LEU 72 2HD1 LEU 72 -1.384 9.463 -6.933 454 HD13 LEU 72 3HD1 LEU 72 0.277 8.919 -7.225 455 HD21 LEU 72 3HD2 LEU 72 -2.381 6.546 -6.300 456 HD22 LEU 72 1HD2 LEU 72 -2.900 6.142 -7.930 457 HD23 LEU 72 2HD2 LEU 72 -3.305 7.726 -7.241 458 H ALA 73 H ALA 73 -2.354 8.293 -12.287 459 HA ALA 73 HA ALA 73 -0.947 10.543 -13.203 460 HB1 ALA 73 1HB ALA 73 -1.108 8.468 -14.486 461 HB2 ALA 73 2HB ALA 73 -2.843 8.763 -14.774 462 HB3 ALA 73 3HB ALA 73 -1.627 9.863 -15.448 463 H ALA 74 H ALA 74 -4.462 9.999 -13.077 464 HA ALA 74 HA ALA 74 -5.213 12.450 -14.295 465 HB1 ALA 74 1HB ALA 74 -7.429 11.951 -13.216 466 HB2 ALA 74 2HB ALA 74 -6.732 10.542 -14.038 467 HB3 ALA 74 3HB ALA 74 -6.646 10.671 -12.272 468 H ASP 75 H ASP 75 -3.674 12.057 -11.246 469 HA ASP 75 HA ASP 75 -4.670 14.702 -10.269 470 HB3 ASP 75 2HB ASP 75 -2.963 13.495 -8.326 471 H LEU 76 H LEU 76 -1.746 12.768 -10.930 472 HA LEU 76 HA LEU 76 -0.016 15.092 -10.388 473 HB3 LEU 76 2HB LEU 76 1.803 13.495 -10.497 474 HG LEU 76 HG LEU 76 -0.436 12.278 -8.819 475 HD11 LEU 76 1HD1 LEU 76 1.548 11.381 -7.504 476 HD12 LEU 76 2HD1 LEU 76 2.594 11.853 -8.843 477 HD13 LEU 76 3HD1 LEU 76 1.329 10.637 -9.078 478 HD21 LEU 76 3HD2 LEU 76 0.052 14.623 -8.246 479 HD22 LEU 76 1HD2 LEU 76 1.794 14.238 -8.165 480 HD23 LEU 76 2HD2 LEU 76 0.657 13.538 -6.980 481 H GLU 77 H GLU 77 -1.635 14.258 -13.142 482 HA GLU 77 HA GLU 77 0.152 14.419 -15.227 483 HB3 GLU 77 2HB GLU 77 -2.407 16.066 -14.926 484 HG3 GLU 77 2HG GLU 77 -1.621 14.858 -17.527 485 H GLY 78 H GLY 78 1.680 15.799 -15.701 486 HA2 GLY 78 1HA GLY 78 2.805 17.818 -15.975 487 HA3 GLY 78 2HA GLY 78 1.467 18.661 -15.192 488 H LYS 79 H LYS 79 2.496 16.175 -13.119 489 HA LYS 79 HA LYS 79 4.604 17.898 -11.849 490 HB3 LYS 79 2HB LYS 79 3.871 17.204 -9.657 491 HG3 LYS 79 2HG LYS 79 2.779 19.260 -10.939 492 HD3 LYS 79 2HD LYS 79 0.758 17.270 -11.325 493 HE3 LYS 79 2HE LYS 79 -0.007 17.747 -8.977 494 HZ1 LYS 79 3HZ LYS 79 -0.431 20.467 -10.065 495 HZ2 LYS 79 1HZ LYS 79 0.623 20.070 -8.861 496 HZ3 LYS 79 2HZ LYS 79 -0.980 19.922 -8.608 497 H ALA 80 H ALA 80 3.504 14.588 -12.615 498 HA ALA 80 HA ALA 80 6.201 13.545 -12.136 499 HB1 ALA 80 1HB ALA 80 4.885 11.768 -10.581 500 HB2 ALA 80 2HB ALA 80 5.631 13.244 -9.916 501 HB3 ALA 80 3HB ALA 80 3.893 13.173 -10.241 502 H ASP 81 H ASP 81 6.367 12.568 -14.082 503 HA ASP 81 HA ASP 81 4.018 11.447 -15.440 504 HB3 ASP 81 2HB ASP 81 5.418 11.305 -17.392 505 H GLU 82 H GLU 82 4.805 9.297 -16.830 506 HA GLU 82 HA GLU 82 4.547 7.231 -15.026 507 HB3 GLU 82 2HB GLU 82 5.684 7.049 -17.839 508 HG3 GLU 82 2HG GLU 82 4.124 4.839 -17.517 509 H GLU 83 H GLU 83 7.486 8.592 -16.196 510 HA GLU 83 HA GLU 83 9.549 6.901 -15.601 511 HB3 GLU 83 2HB GLU 83 9.302 9.867 -14.908 512 HG3 GLU 83 2HG GLU 83 11.698 8.258 -15.894 513 H THR 84 H THR 84 7.561 8.760 -13.312 514 HA THR 84 HA THR 84 9.046 7.513 -11.052 515 HB THR 84 HB THR 84 9.139 9.944 -11.299 516 HG1 THR 84 1HG THR 84 9.514 9.083 -9.302 517 HG21 THR 84 3HG2 THR 84 7.052 10.677 -12.046 518 HG22 THR 84 1HG2 THR 84 7.324 11.357 -10.444 519 HG23 THR 84 2HG2 THR 84 6.218 9.968 -10.630 520 H ILE 85 H ILE 85 5.819 8.280 -12.307 521 HA ILE 85 HA ILE 85 4.333 7.274 -10.221 522 HB ILE 85 HB ILE 85 3.564 6.732 -13.108 523 HG13 ILE 85 2HG1 ILE 85 4.132 9.206 -12.494 524 HG21 ILE 85 1HG2 ILE 85 2.100 5.562 -11.462 525 HG22 ILE 85 2HG2 ILE 85 1.813 7.105 -10.620 526 HG23 ILE 85 3HG2 ILE 85 1.200 6.838 -12.258 527 HD11 ILE 85 3HD1 ILE 85 1.325 8.565 -13.536 528 HD12 ILE 85 1HD1 ILE 85 2.194 10.066 -13.778 529 HD13 ILE 85 2HD1 ILE 85 2.790 8.578 -14.516 530 H ARG 86 H ARG 86 5.246 5.154 -12.994 531 HA ARG 86 HA ARG 86 4.170 2.824 -11.547 532 HB3 ARG 86 2HB ARG 86 5.454 1.595 -13.438 533 HG3 ARG 86 2HG ARG 86 3.411 3.613 -14.306 534 HD3 ARG 86 2HD ARG 86 4.441 2.320 -16.088 535 HE ARG 86 HE ARG 86 4.917 0.188 -15.486 536 HH11 ARG 86 1HH1 ARG 86 1.320 0.502 -15.295 537 HH12 ARG 86 2HH1 ARG 86 1.098 -1.113 -14.789 538 HH21 ARG 86 1HH2 ARG 86 4.557 -1.956 -14.972 539 HH22 ARG 86 2HH2 ARG 86 2.959 -2.542 -14.565 540 H ALA 87 H ALA 87 7.191 4.544 -11.788 541 HA ALA 87 HA ALA 87 8.890 2.400 -10.867 542 HB1 ALA 87 1HB ALA 87 9.830 4.436 -11.902 543 HB2 ALA 87 2HB ALA 87 9.358 5.379 -10.463 544 HB3 ALA 87 3HB ALA 87 10.544 4.080 -10.317 545 H LYS 88 H LYS 88 7.343 5.041 -9.070 546 HA LYS 88 HA LYS 88 7.954 4.144 -6.419 547 HB3 LYS 88 2HB LYS 88 6.080 5.516 -5.658 548 HG3 LYS 88 2HG LYS 88 6.496 7.674 -6.685 549 HD3 LYS 88 2HD LYS 88 9.236 6.403 -6.572 550 HE3 LYS 88 2HE LYS 88 8.413 9.018 -5.325 551 HZ1 LYS 88 3HZ LYS 88 10.772 8.205 -5.493 552 HZ2 LYS 88 1HZ LYS 88 10.469 9.740 -5.998 553 HZ3 LYS 88 2HZ LYS 88 10.704 8.548 -7.116 554 H MET 89 H MET 89 5.217 3.394 -8.594 555 HA MET 89 HA MET 89 3.721 1.830 -6.794 556 HB3 MET 89 2HB MET 89 3.834 1.418 -9.785 557 HG3 MET 89 2HG MET 89 1.226 1.581 -9.119 558 HE1 MET 89 3HE MET 89 2.683 0.263 -11.495 559 HE2 MET 89 1HE MET 89 1.697 -1.196 -11.709 560 HE3 MET 89 2HE MET 89 0.915 0.342 -11.300 561 H VAL 90 H VAL 90 6.423 0.810 -8.955 562 HA VAL 90 HA VAL 90 6.421 -1.923 -8.017 563 HB VAL 90 HB VAL 90 8.467 -0.218 -9.491 564 HG11 VAL 90 1HG1 VAL 90 8.435 -3.227 -8.768 565 HG12 VAL 90 2HG1 VAL 90 9.446 -2.557 -10.066 566 HG13 VAL 90 3HG1 VAL 90 9.702 -2.062 -8.395 567 HG21 VAL 90 3HG2 VAL 90 6.661 -2.460 -10.520 568 HG22 VAL 90 1HG2 VAL 90 6.328 -0.730 -10.738 569 HG23 VAL 90 2HG2 VAL 90 7.762 -1.438 -11.467 570 H GLU 91 H GLU 91 8.429 0.973 -7.255 571 HA GLU 91 HA GLU 91 10.308 -0.208 -5.575 572 HB3 GLU 91 2HB GLU 91 9.182 2.611 -5.496 573 HG3 GLU 91 2HG GLU 91 10.958 2.151 -3.724 574 H LEU 92 H LEU 92 6.984 0.431 -4.913 575 HA LEU 92 HA LEU 92 7.395 0.116 -1.968 576 HB3 LEU 92 2HB LEU 92 4.978 0.898 -1.911 577 HG LEU 92 HG LEU 92 7.100 2.739 -3.135 578 HD11 LEU 92 1HD1 LEU 92 4.355 3.356 -1.987 579 HD12 LEU 92 2HD1 LEU 92 5.034 3.739 -3.598 580 HD13 LEU 92 3HD1 LEU 92 5.654 4.552 -2.190 581 HD21 LEU 92 3HD2 LEU 92 7.852 1.988 -0.995 582 HD22 LEU 92 1HD2 LEU 92 6.214 2.078 -0.317 583 HD23 LEU 92 2HD2 LEU 92 7.126 3.556 -0.703 584 H ARG 93 H ARG 93 6.709 -1.750 -4.677 585 HA ARG 93 HA ARG 93 4.475 -3.218 -3.635 586 HB3 ARG 93 2HB ARG 93 6.185 -4.391 -5.832 587 HG3 ARG 93 2HG ARG 93 3.877 -5.206 -5.437 588 HD3 ARG 93 2HD ARG 93 2.408 -2.996 -6.601 589 HE ARG 93 HE ARG 93 2.264 -3.950 -3.767 590 HH11 ARG 93 1HH1 ARG 93 0.879 -4.239 -7.090 591 HH12 ARG 93 2HH1 ARG 93 -0.360 -5.320 -6.492 592 HH21 ARG 93 1HH2 ARG 93 0.675 -5.379 -3.170 593 HH22 ARG 93 2HH2 ARG 93 -0.478 -5.928 -4.341 594 H ALA 94 H ALA 94 7.895 -4.146 -4.196 595 HA ALA 94 HA ALA 94 7.718 -6.552 -2.584 596 HB1 ALA 94 1HB ALA 94 9.198 -6.127 -4.667 597 HB2 ALA 94 2HB ALA 94 10.213 -5.140 -3.614 598 HB3 ALA 94 3HB ALA 94 9.988 -6.852 -3.246 599 H THR 95 H THR 95 8.812 -3.153 -2.172 600 HA THR 95 HA THR 95 9.985 -3.531 0.369 601 HB THR 95 HB THR 95 8.490 -1.034 -0.433 602 HG1 THR 95 1HG THR 95 9.990 -0.875 -1.984 603 HG21 THR 95 3HG2 THR 95 9.279 -0.852 1.814 604 HG22 THR 95 1HG2 THR 95 10.383 0.073 0.810 605 HG23 THR 95 2HG2 THR 95 10.876 -1.526 1.393 606 H ALA 96 H ALA 96 6.530 -2.498 -0.305 607 HA ALA 96 HA ALA 96 5.734 -2.513 2.371 608 HB1 ALA 96 1HB ALA 96 3.457 -2.874 1.518 609 HB2 ALA 96 2HB ALA 96 4.342 -1.623 0.625 610 HB3 ALA 96 3HB ALA 96 4.120 -3.249 -0.087 611 H ARG 97 H ARG 97 6.057 -5.240 0.044 612 HA ARG 97 HA ARG 97 4.773 -7.244 1.587 613 HB3 ARG 97 2HB ARG 97 6.555 -8.797 0.453 614 HG3 ARG 97 2HG ARG 97 4.743 -7.132 -1.331 615 HD3 ARG 97 2HD ARG 97 5.778 -9.982 -1.657 616 HE ARG 97 HE ARG 97 3.671 -8.812 -2.919 617 HH11 ARG 97 1HH1 ARG 97 6.734 -10.271 -3.898 618 HH12 ARG 97 2HH1 ARG 97 6.315 -10.457 -5.563 619 HH21 ARG 97 1HH2 ARG 97 3.054 -9.030 -5.185 620 HH22 ARG 97 2HH2 ARG 97 4.040 -9.984 -6.215 621 H GLU 98 H GLU 98 8.387 -6.543 1.535 622 HA GLU 98 HA GLU 98 8.765 -8.274 3.706 623 HB3 GLU 98 2HB GLU 98 10.480 -5.973 2.669 624 HG3 GLU 98 2HG GLU 98 11.223 -6.959 4.762 625 H GLN 99 H GLN 99 8.120 -4.793 3.521 626 HA GLN 99 HA GLN 99 8.816 -4.145 6.139 627 HB3 GLN 99 2HB GLN 99 6.875 -2.360 5.716 628 HG3 GLN 99 2HG GLN 99 9.055 -1.864 3.798 629 HE21 GLN 99 1HE2 GLN 99 8.303 0.448 3.621 630 HE22 GLN 99 2HE2 GLN 99 7.958 1.359 5.040 631 H ILE 100 H ILE 100 6.039 -6.069 5.093 632 HA ILE 100 HA ILE 100 4.379 -5.596 7.352 633 HB ILE 100 HB ILE 100 4.857 -8.020 5.586 634 HG13 ILE 100 2HG1 ILE 100 2.516 -7.494 4.756 635 HG21 ILE 100 1HG2 ILE 100 2.838 -7.895 7.830 636 HG22 ILE 100 2HG2 ILE 100 2.739 -9.038 6.463 637 HG23 ILE 100 3HG2 ILE 100 4.128 -9.092 7.540 638 HD11 ILE 100 3HD1 ILE 100 1.823 -6.036 6.704 639 HD12 ILE 100 1HD1 ILE 100 2.906 -4.787 6.098 640 HD13 ILE 100 2HD1 ILE 100 1.561 -5.309 5.100 641 H ILE 101 H ILE 101 6.991 -8.061 7.027 642 HA ILE 101 HA ILE 101 6.666 -8.844 9.787 643 HB ILE 101 HB ILE 101 8.710 -9.415 7.603 644 HG13 ILE 101 2HG1 ILE 101 7.534 -11.434 7.228 645 HG21 ILE 101 1HG2 ILE 101 9.307 -11.429 9.071 646 HG22 ILE 101 2HG2 ILE 101 9.887 -9.841 9.624 647 HG23 ILE 101 3HG2 ILE 101 8.494 -10.582 10.398 648 HD11 ILE 101 3HD1 ILE 101 6.422 -11.202 9.896 649 HD12 ILE 101 1HD1 ILE 101 5.105 -11.066 8.745 650 HD13 ILE 101 2HD1 ILE 101 6.163 -12.491 8.725 651 H SER 102 H SER 102 8.774 -6.704 7.899 652 HA SER 102 HA SER 102 10.700 -6.271 9.964 653 HB3 SER 102 2HB SER 102 9.933 -4.317 7.786 654 HG SER 102 HG SER 102 12.495 -5.125 8.724 655 H GLU 103 H GLU 103 7.474 -4.921 9.482 656 HA GLU 103 HA GLU 103 7.791 -2.692 11.326 657 HB3 GLU 103 2HB GLU 103 5.519 -4.042 9.815 658 HG3 GLU 103 2HG GLU 103 5.353 -1.606 11.592 659 H ILE 104 H ILE 104 7.239 -6.040 11.699 660 HA ILE 104 HA ILE 104 5.995 -5.869 14.371 661 HB ILE 104 HB ILE 104 7.439 -8.255 13.189 662 HG13 ILE 104 2HG1 ILE 104 5.640 -7.590 11.596 663 HG21 ILE 104 1HG2 ILE 104 6.895 -8.264 15.633 664 HG22 ILE 104 2HG2 ILE 104 5.174 -8.108 15.243 665 HG23 ILE 104 3HG2 ILE 104 6.097 -9.565 14.782 666 HD11 ILE 104 3HD1 ILE 104 4.796 -10.128 13.006 667 HD12 ILE 104 1HD1 ILE 104 4.580 -9.685 11.305 668 HD13 ILE 104 2HD1 ILE 104 6.211 -10.023 11.930 Start of MODEL 2 1 H1 MET 1 H MET 1 -7.825 -12.201 14.006 2 HA MET 1 HA MET 1 -8.979 -12.437 16.174 3 HB3 MET 1 2HB MET 1 -10.269 -11.801 14.245 4 HG3 MET 1 2HG MET 1 -10.525 -14.776 13.653 5 HE1 MET 1 3HE MET 1 -12.952 -14.275 10.487 6 HE2 MET 1 1HE MET 1 -11.228 -13.883 10.485 7 HE3 MET 1 2HE MET 1 -11.792 -15.391 11.252 8 H THR 2 H THR 2 -7.120 -14.735 16.321 9 HA THR 2 HA THR 2 -8.887 -16.395 17.903 10 HB THR 2 HB THR 2 -7.457 -18.438 16.853 11 HG1 THR 2 1HG THR 2 -6.624 -17.413 15.104 12 HG21 THR 2 3HG2 THR 2 -9.933 -18.290 17.273 13 HG22 THR 2 1HG2 THR 2 -9.434 -19.235 15.876 14 HG23 THR 2 2HG2 THR 2 -10.102 -17.599 15.641 15 H THR 3 H THR 3 -7.868 -15.420 19.591 16 HA THR 3 HA THR 3 -6.336 -14.988 21.142 17 HB THR 3 HB THR 3 -5.071 -17.616 20.262 18 HG1 THR 3 1HG THR 3 -6.650 -18.498 21.693 19 HG21 THR 3 3HG2 THR 3 -4.655 -18.024 22.661 20 HG22 THR 3 1HG2 THR 3 -5.236 -16.406 23.058 21 HG23 THR 3 2HG2 THR 3 -3.743 -16.632 22.121 22 H PHE 4 H PHE 4 -3.542 -15.071 21.387 23 HA PHE 4 HA PHE 4 -2.226 -14.474 18.936 24 HB3 PHE 4 2HB PHE 4 -1.714 -12.239 20.760 25 HD1 PHE 4 2HD PHE 4 0.081 -12.022 18.994 26 HD2 PHE 4 1HD PHE 4 -4.119 -11.719 18.050 27 HE1 PHE 4 2HE PHE 4 0.630 -10.974 16.849 28 HE2 PHE 4 1HE PHE 4 -3.543 -10.654 15.873 29 HZ PHE 4 HZ PHE 4 -1.181 -10.251 15.275 30 H ASP 5 H ASP 5 0.195 -14.343 19.476 31 HA ASP 5 HA ASP 5 0.967 -14.443 22.175 32 HB3 ASP 5 2HB ASP 5 1.941 -16.850 20.610 33 H ASP 6 H ASP 6 3.539 -14.744 22.019 34 HA ASP 6 HA ASP 6 4.404 -12.469 20.462 35 HB3 ASP 6 2HB ASP 6 6.635 -13.840 21.583 36 H ARG 7 H ARG 7 4.889 -16.060 20.253 37 HA ARG 7 HA ARG 7 5.811 -15.835 17.509 38 HB3 ARG 7 2HB ARG 7 7.595 -17.447 18.004 39 HG3 ARG 7 2HG ARG 7 7.903 -15.151 19.975 40 HD3 ARG 7 2HD ARG 7 10.279 -15.304 18.956 41 HE ARG 7 HE ARG 7 9.721 -17.793 20.391 42 HH11 ARG 7 1HH1 ARG 7 10.371 -14.263 20.730 43 HH12 ARG 7 2HH1 ARG 7 10.469 -14.355 22.462 44 HH21 ARG 7 1HH2 ARG 7 9.660 -17.736 22.694 45 HH22 ARG 7 2HH2 ARG 7 10.076 -16.313 23.572 46 H GLU 8 H GLU 8 6.088 -18.339 16.919 47 HA GLU 8 HA GLU 8 5.258 -20.233 16.404 48 HB3 GLU 8 2HB GLU 8 3.671 -20.448 18.953 49 HG3 GLU 8 2HG GLU 8 5.430 -22.462 17.525 50 H ARG 9 H ARG 9 4.004 -20.109 14.711 51 HA ARG 9 HA ARG 9 2.173 -19.746 13.379 52 HB3 ARG 9 2HB ARG 9 -0.037 -20.594 14.443 53 HG3 ARG 9 2HG ARG 9 2.387 -22.012 13.604 54 HD3 ARG 9 2HD ARG 9 0.657 -23.288 15.718 55 HE ARG 9 HE ARG 9 2.131 -25.031 13.888 56 HH11 ARG 9 1HH1 ARG 9 -1.091 -23.756 14.799 57 HH12 ARG 9 2HH1 ARG 9 -1.937 -25.046 13.989 58 HH21 ARG 9 1HH2 ARG 9 0.918 -26.752 12.891 59 HH22 ARG 9 2HH2 ARG 9 -0.830 -26.704 12.902 60 H ALA 10 H ALA 10 3.049 -17.405 14.963 61 HA ALA 10 HA ALA 10 0.468 -15.906 15.212 62 HB1 ALA 10 1HB ALA 10 2.856 -15.753 17.114 63 HB2 ALA 10 2HB ALA 10 1.371 -14.786 17.183 64 HB3 ALA 10 3HB ALA 10 1.307 -16.540 17.452 65 H HIS 11 H HIS 11 4.005 -15.269 15.356 66 HA HIS 11 HA HIS 11 3.712 -13.487 12.985 67 HB3 HIS 11 2HB HIS 11 5.674 -12.284 13.773 68 HD1 HIS 11 1HD HIS 11 3.451 -10.577 13.571 69 HD2 HIS 11 2HD HIS 11 4.171 -12.601 17.172 70 HE1 HIS 11 1HE HIS 11 2.257 -9.236 15.377 71 H GLU 12 H GLU 12 5.998 -13.469 11.886 72 HA GLU 12 HA GLU 12 6.959 -14.417 10.287 73 HB3 GLU 12 2HB GLU 12 8.325 -16.430 12.023 74 HG3 GLU 12 2HG GLU 12 9.045 -14.154 10.120 75 H ALA 13 H ALA 13 5.182 -17.022 11.969 76 HA ALA 13 HA ALA 13 5.196 -18.691 9.569 77 HB1 ALA 13 1HB ALA 13 3.507 -18.655 12.096 78 HB2 ALA 13 2HB ALA 13 3.425 -19.904 10.833 79 HB3 ALA 13 3HB ALA 13 4.918 -19.683 11.776 80 H LYS 14 H LYS 14 2.738 -16.715 11.236 81 HA LYS 14 HA LYS 14 0.628 -17.367 9.790 82 HB3 LYS 14 2HB LYS 14 0.984 -14.524 10.805 83 HG3 LYS 14 2HG LYS 14 -1.285 -15.267 9.841 84 HD3 LYS 14 2HD LYS 14 -1.167 -16.941 12.392 85 HE3 LYS 14 2HE LYS 14 -3.292 -15.732 12.344 86 HZ1 LYS 14 3HZ LYS 14 -4.837 -16.248 10.582 87 HZ2 LYS 14 1HZ LYS 14 -3.681 -17.076 9.725 88 HZ3 LYS 14 2HZ LYS 14 -3.569 -15.447 9.976 89 H PHE 15 H PHE 15 2.778 -14.700 8.798 90 HA PHE 15 HA PHE 15 0.949 -14.046 6.590 91 HB3 PHE 15 2HB PHE 15 2.601 -12.152 6.289 92 HD1 PHE 15 1HD PHE 15 0.069 -11.653 6.661 93 HD2 PHE 15 2HD PHE 15 2.873 -12.223 9.932 94 HE1 PHE 15 1HE PHE 15 -1.524 -10.590 8.243 95 HE2 PHE 15 2HE PHE 15 1.279 -11.123 11.461 96 HZ PHE 15 HZ PHE 15 -0.905 -10.324 10.647 97 H ALA 16 H ALA 16 4.024 -15.705 7.141 98 HA ALA 16 HA ALA 16 4.934 -15.853 4.456 99 HB1 ALA 16 1HB ALA 16 6.242 -17.757 5.227 100 HB2 ALA 16 2HB ALA 16 6.289 -16.487 6.451 101 HB3 ALA 16 3HB ALA 16 5.250 -17.917 6.687 102 H HIS 17 H HIS 17 2.518 -17.772 6.230 103 HA HIS 17 HA HIS 17 1.998 -19.761 4.263 104 HB3 HIS 17 2HB HIS 17 -0.393 -19.601 5.380 105 HD1 HIS 17 1HD HIS 17 0.612 -22.154 5.185 106 HD2 HIS 17 2HD HIS 17 1.912 -19.725 8.386 107 HE1 HIS 17 1HE HIS 17 1.553 -23.744 6.964 108 H ASP 18 H ASP 18 1.621 -16.435 3.843 109 HA ASP 18 HA ASP 18 0.766 -15.128 2.337 110 HB3 ASP 18 2HB ASP 18 -0.207 -16.131 0.189 111 H ALA 19 H ALA 19 -1.762 -15.610 0.812 112 HA ALA 19 HA ALA 19 -3.870 -14.964 0.984 113 HB1 ALA 19 1HB ALA 19 -5.296 -16.172 2.489 114 HB2 ALA 19 2HB ALA 19 -4.003 -17.255 1.912 115 HB3 ALA 19 3HB ALA 19 -3.937 -16.598 3.551 116 H GLU 20 H GLU 20 -3.089 -14.879 4.440 117 HA GLU 20 HA GLU 20 -4.678 -12.426 4.823 118 HB3 GLU 20 2HB GLU 20 -3.181 -12.405 7.041 119 HG3 GLU 20 2HG GLU 20 -5.274 -14.577 6.715 120 H LEU 21 H LEU 21 -1.270 -13.260 4.299 121 HA LEU 21 HA LEU 21 -0.364 -10.550 4.661 122 HB3 LEU 21 2HB LEU 21 0.743 -13.000 3.139 123 HG LEU 21 HG LEU 21 1.808 -11.056 2.061 124 HD11 LEU 21 1HD1 LEU 21 2.908 -10.388 4.820 125 HD12 LEU 21 2HD1 LEU 21 1.646 -9.463 3.974 126 HD13 LEU 21 3HD1 LEU 21 3.282 -9.564 3.299 127 HD21 LEU 21 3HD2 LEU 21 3.074 -13.163 2.369 128 HD22 LEU 21 1HD2 LEU 21 3.707 -12.559 3.905 129 HD23 LEU 21 2HD2 LEU 21 4.130 -11.737 2.392 130 H ASN 22 H ASN 22 -1.226 -12.398 1.818 131 HA ASN 22 HA ASN 22 -0.505 -10.403 -0.109 132 HB3 ASN 22 2HB ASN 22 -2.213 -11.506 -1.606 133 HD21 ASN 22 1HD2 ASN 22 -1.885 -14.557 -1.293 134 HD22 ASN 22 2HD2 ASN 22 -0.203 -14.749 -1.656 135 H PHE 23 H PHE 23 -3.417 -10.855 1.828 136 HA PHE 23 HA PHE 23 -4.846 -8.722 0.536 137 HB3 PHE 23 2HB PHE 23 -5.305 -10.096 3.208 138 HD1 PHE 23 1HD PHE 23 -6.835 -8.083 0.362 139 HD2 PHE 23 2HD PHE 23 -7.481 -9.871 4.247 140 HE1 PHE 23 1HE PHE 23 -8.960 -6.888 0.557 141 HE2 PHE 23 2HE PHE 23 -9.671 -8.719 4.382 142 HZ PHE 23 HZ PHE 23 -10.404 -7.210 2.526 143 H LYS 24 H LYS 24 -3.161 -8.976 3.822 144 HA LYS 24 HA LYS 24 -3.863 -6.365 4.576 145 HB3 LYS 24 2HB LYS 24 -3.079 -8.472 5.880 146 HG3 LYS 24 2HG LYS 24 -0.586 -8.171 4.804 147 HD3 LYS 24 2HD LYS 24 -0.480 -6.107 6.402 148 HE3 LYS 24 2HE LYS 24 -0.133 -8.420 8.358 149 HZ1 LYS 24 3HZ LYS 24 1.039 -6.249 8.889 150 HZ2 LYS 24 1HZ LYS 24 -0.097 -6.738 9.992 151 HZ3 LYS 24 2HZ LYS 24 -0.432 -5.539 8.944 152 H ALA 25 H ALA 25 -1.103 -7.635 2.844 153 HA ALA 25 HA ALA 25 0.575 -5.343 2.851 154 HB1 ALA 25 1HB ALA 25 0.371 -7.646 0.858 155 HB2 ALA 25 2HB ALA 25 1.706 -6.497 1.018 156 HB3 ALA 25 3HB ALA 25 1.372 -7.621 2.333 157 H GLU 26 H GLU 26 -1.857 -6.517 0.440 158 HA GLU 26 HA GLU 26 -1.430 -4.678 -1.549 159 HB3 GLU 26 2HB GLU 26 -4.057 -5.815 -0.570 160 HG3 GLU 26 2HG GLU 26 -3.285 -4.820 -3.343 161 H ALA 27 H ALA 27 -3.683 -4.251 1.225 162 HA ALA 27 HA ALA 27 -4.345 -1.539 0.640 163 HB1 ALA 27 1HB ALA 27 -4.511 -3.214 3.188 164 HB2 ALA 27 2HB ALA 27 -5.241 -1.607 3.006 165 HB3 ALA 27 3HB ALA 27 -5.787 -2.952 1.983 166 H ARG 28 H ARG 28 -1.435 -2.805 2.213 167 HA ARG 28 HA ARG 28 -0.771 -0.234 3.481 168 HB3 ARG 28 2HB ARG 28 1.636 -1.329 3.314 169 HG3 ARG 28 2HG ARG 28 1.214 -2.791 5.302 170 HD3 ARG 28 2HD ARG 28 0.036 0.016 5.439 171 HE ARG 28 HE ARG 28 1.445 -1.380 7.658 172 HH11 ARG 28 1HH1 ARG 28 -1.792 -0.211 6.544 173 HH12 ARG 28 2HH1 ARG 28 -2.372 -0.184 8.177 174 HH21 ARG 28 1HH2 ARG 28 0.631 -1.233 9.661 175 HH22 ARG 28 2HH2 ARG 28 -1.013 -0.765 9.983 176 H ARG 29 H ARG 29 0.089 -1.941 0.472 177 HA ARG 29 HA ARG 29 2.157 -0.244 -0.221 178 HB3 ARG 29 2HB ARG 29 2.317 -1.293 -2.234 179 HG3 ARG 29 2HG ARG 29 0.183 -3.182 -1.262 180 HD3 ARG 29 2HD ARG 29 2.790 -3.592 -2.668 181 HE ARG 29 HE ARG 29 2.768 -5.140 -0.850 182 HH11 ARG 29 1HH1 ARG 29 0.449 -5.948 -3.485 183 HH12 ARG 29 2HH1 ARG 29 0.667 -7.646 -3.268 184 HH21 ARG 29 1HH2 ARG 29 2.975 -7.352 -0.615 185 HH22 ARG 29 2HH2 ARG 29 2.042 -8.470 -1.560 186 H ASN 30 H ASN 30 -1.234 0.130 -1.346 187 HA ASN 30 HA ASN 30 -0.895 2.501 -2.838 188 HB3 ASN 30 2HB ASN 30 -3.372 2.918 -1.670 189 HD21 ASN 30 1HD2 ASN 30 -4.628 0.317 -2.785 190 HD22 ASN 30 2HD2 ASN 30 -4.706 0.652 -4.477 191 H ARG 31 H ARG 31 -1.243 2.162 0.734 192 HA ARG 31 HA ARG 31 -1.661 4.934 1.243 193 HB3 ARG 31 2HB ARG 31 -0.201 3.032 3.107 194 HG3 ARG 31 2HG ARG 31 -2.279 5.115 3.865 195 HD3 ARG 31 2HD ARG 31 -0.626 5.405 5.786 196 HE ARG 31 HE ARG 31 -2.700 3.588 5.618 197 HH11 ARG 31 1HH1 ARG 31 0.300 4.052 7.473 198 HH12 ARG 31 2HH1 ARG 31 -0.275 3.244 8.899 199 HH21 ARG 31 1HH2 ARG 31 -3.559 2.718 7.624 200 HH22 ARG 31 2HH2 ARG 31 -2.491 2.552 8.978 201 H LEU 32 H LEU 32 1.357 2.988 0.909 202 HA LEU 32 HA LEU 32 3.194 4.984 1.719 203 HB3 LEU 32 2HB LEU 32 4.875 3.771 0.421 204 HG LEU 32 HG LEU 32 2.906 1.743 1.548 205 HD11 LEU 32 1HD1 LEU 32 5.873 1.450 0.921 206 HD12 LEU 32 2HD1 LEU 32 4.535 0.789 -0.058 207 HD13 LEU 32 3HD1 LEU 32 4.801 0.237 1.604 208 HD21 LEU 32 3HD2 LEU 32 3.663 3.307 3.277 209 HD22 LEU 32 1HD2 LEU 32 5.369 3.018 2.822 210 HD23 LEU 32 2HD2 LEU 32 4.399 1.711 3.513 211 H LEU 33 H LEU 33 1.768 4.383 -1.540 212 HA LEU 33 HA LEU 33 3.221 6.446 -2.909 213 HB3 LEU 33 2HB LEU 33 0.800 6.094 -4.191 214 HG LEU 33 HG LEU 33 3.104 4.106 -4.414 215 HD11 LEU 33 1HD1 LEU 33 1.093 3.181 -5.372 216 HD12 LEU 33 2HD1 LEU 33 2.092 3.797 -6.705 217 HD13 LEU 33 3HD1 LEU 33 0.698 4.719 -6.167 218 HD21 LEU 33 3HD2 LEU 33 3.874 6.362 -5.057 219 HD22 LEU 33 1HD2 LEU 33 2.412 6.580 -6.049 220 HD23 LEU 33 2HD2 LEU 33 3.622 5.375 -6.523 221 H GLY 34 H GLY 34 0.180 6.287 -1.011 222 HA2 GLY 34 1HA GLY 34 -0.844 8.853 -1.585 223 HA3 GLY 34 2HA GLY 34 -1.157 7.875 -0.152 224 H GLU 35 H GLU 35 1.325 7.716 1.065 225 HA GLU 35 HA GLU 35 1.587 10.134 2.468 226 HB3 GLU 35 2HB GLU 35 3.752 9.193 3.306 227 HG3 GLU 35 2HG GLU 35 3.037 6.831 3.961 228 H TRP 36 H TRP 36 3.298 9.030 -0.429 229 HA TRP 36 HA TRP 36 5.173 11.258 -0.641 230 HB3 TRP 36 2HB TRP 36 4.208 9.027 -2.457 231 HD1 TRP 36 HD TRP 36 7.098 11.629 -2.863 232 HE1 TRP 36 1HE TRP 36 7.412 12.086 -5.338 233 HE3 TRP 36 3HE TRP 36 3.139 8.907 -4.719 234 HZ2 TRP 36 2HZ TRP 36 6.148 11.362 -7.832 235 HZ3 TRP 36 3HZ TRP 36 2.698 8.894 -7.147 236 HH2 TRP 36 HH TRP 36 4.236 10.122 -8.704 237 H ALA 37 H ALA 37 2.239 10.344 -2.517 238 HA ALA 37 HA ALA 37 2.253 12.705 -4.033 239 HB1 ALA 37 1HB ALA 37 -0.164 11.991 -4.554 240 HB2 ALA 37 2HB ALA 37 1.128 10.822 -4.893 241 HB3 ALA 37 3HB ALA 37 0.139 10.634 -3.442 242 H ALA 38 H ALA 38 0.611 12.182 -0.832 243 HA ALA 38 HA ALA 38 -0.813 14.503 -0.576 244 HB1 ALA 38 1HB ALA 38 1.143 13.168 1.353 245 HB2 ALA 38 2HB ALA 38 -0.028 14.401 1.830 246 HB3 ALA 38 3HB ALA 38 -0.596 12.843 1.199 247 H GLY 39 H GLY 39 2.796 14.255 -0.405 248 HA2 GLY 39 1HA GLY 39 3.234 17.049 0.178 249 HA3 GLY 39 2HA GLY 39 4.427 15.842 -0.287 250 H LEU 40 H LEU 40 2.309 15.541 -2.722 251 HA LEU 40 HA LEU 40 3.606 17.602 -4.443 252 HB3 LEU 40 2HB LEU 40 2.686 16.139 -6.283 253 HG LEU 40 HG LEU 40 4.411 14.635 -4.262 254 HD11 LEU 40 1HD1 LEU 40 3.769 14.193 -7.231 255 HD12 LEU 40 2HD1 LEU 40 3.410 13.087 -5.893 256 HD13 LEU 40 3HD1 LEU 40 5.088 13.379 -6.373 257 HD21 LEU 40 3HD2 LEU 40 5.129 16.330 -6.711 258 HD22 LEU 40 1HD2 LEU 40 6.275 15.326 -5.764 259 HD23 LEU 40 2HD2 LEU 40 5.487 16.720 -5.017 260 H LEU 41 H LEU 41 0.438 16.351 -3.384 261 HA LEU 41 HA LEU 41 -1.079 18.279 -4.985 262 HB3 LEU 41 2HB LEU 41 -2.878 17.873 -3.295 263 HG LEU 41 HG LEU 41 -3.589 15.763 -4.007 264 HD11 LEU 41 1HD1 LEU 41 -3.442 15.794 -6.374 265 HD12 LEU 41 2HD1 LEU 41 -1.907 16.686 -6.361 266 HD13 LEU 41 3HD1 LEU 41 -3.411 17.477 -5.837 267 HD21 LEU 41 3HD2 LEU 41 -0.798 15.053 -4.801 268 HD22 LEU 41 1HD2 LEU 41 -2.248 14.080 -5.073 269 HD23 LEU 41 2HD2 LEU 41 -1.711 14.416 -3.416 270 H GLY 42 H GLY 42 0.197 18.046 -1.668 271 HA2 GLY 42 1HA GLY 42 1.460 19.962 -0.919 272 HA3 GLY 42 2HA GLY 42 0.164 21.026 -1.495 273 H LYS 43 H LYS 43 0.583 18.224 0.725 274 HA LYS 43 HA LYS 43 -0.740 19.780 2.825 275 HB3 LYS 43 2HB LYS 43 -2.678 18.725 2.158 276 HG3 LYS 43 2HG LYS 43 -1.224 16.195 1.514 277 HD3 LYS 43 2HD LYS 43 -3.986 16.596 2.084 278 HE3 LYS 43 2HE LYS 43 -4.877 15.640 -0.107 279 HZ1 LYS 43 3HZ LYS 43 -5.127 17.793 -1.083 280 HZ2 LYS 43 1HZ LYS 43 -4.070 18.493 -0.045 281 HZ3 LYS 43 2HZ LYS 43 -5.498 17.799 0.480 282 H THR 44 H THR 44 -0.357 18.905 4.917 283 HA THR 44 HA THR 44 1.605 16.757 5.303 284 HB THR 44 HB THR 44 2.774 18.470 6.926 285 HG1 THR 44 1HG THR 44 1.026 20.103 6.096 286 HG21 THR 44 3HG2 THR 44 3.874 17.467 4.978 287 HG22 THR 44 1HG2 THR 44 4.353 19.150 5.201 288 HG23 THR 44 2HG2 THR 44 3.195 18.727 3.927 289 H GLY 45 H GLY 45 1.887 16.801 7.981 290 HA2 GLY 45 1HA GLY 45 1.143 16.997 10.065 291 HA3 GLY 45 2HA GLY 45 -0.006 18.209 9.488 292 H ASP 46 H ASP 46 -2.003 17.580 8.814 293 HA ASP 46 HA ASP 46 -2.955 14.880 9.555 294 HB3 ASP 46 2HB ASP 46 -3.559 16.304 11.410 295 H ASP 47 H ASP 47 -3.429 17.835 7.587 296 HA ASP 47 HA ASP 47 -5.617 16.963 6.040 297 HB3 ASP 47 2HB ASP 47 -3.938 18.351 4.253 298 H ALA 48 H ALA 48 -2.218 16.156 5.890 299 HA ALA 48 HA ALA 48 -2.215 14.964 3.250 300 HB1 ALA 48 1HB ALA 48 -0.104 15.664 4.104 301 HB2 ALA 48 2HB ALA 48 -0.348 14.810 5.651 302 HB3 ALA 48 3HB ALA 48 -0.046 13.907 4.152 303 H ARG 49 H ARG 49 -2.956 13.898 6.504 304 HA ARG 49 HA ARG 49 -2.409 11.073 6.082 305 HB3 ARG 49 2HB ARG 49 -3.806 10.765 8.151 306 HG3 ARG 49 2HG ARG 49 -1.643 12.896 8.284 307 HD3 ARG 49 2HD ARG 49 -3.191 12.534 10.353 308 HE ARG 49 HE ARG 49 -2.641 9.923 10.129 309 HH11 ARG 49 1HH1 ARG 49 -1.561 12.338 12.517 310 HH12 ARG 49 2HH1 ARG 49 -1.201 11.202 13.745 311 HH21 ARG 49 1HH2 ARG 49 -2.053 8.365 11.754 312 HH22 ARG 49 2HH2 ARG 49 -1.460 8.923 13.299 313 H ALA 50 H ALA 50 -5.311 13.122 5.947 314 HA ALA 50 HA ALA 50 -7.263 11.285 5.284 315 HB1 ALA 50 1HB ALA 50 -8.393 13.131 4.147 316 HB2 ALA 50 2HB ALA 50 -7.609 13.737 5.613 317 HB3 ALA 50 3HB ALA 50 -6.879 14.043 4.020 318 H TYR 51 H TYR 51 -5.203 12.966 2.887 319 HA TYR 51 HA TYR 51 -5.977 11.559 0.602 320 HB3 TYR 51 2HB TYR 51 -3.217 12.587 1.301 321 HD1 TYR 51 2HD TYR 51 -2.235 10.920 -0.281 322 HD2 TYR 51 1HD TYR 51 -5.115 13.859 -1.529 323 HE1 TYR 51 2HE TYR 51 -1.774 10.378 -2.646 324 HE2 TYR 51 1HE TYR 51 -4.567 13.421 -3.909 325 HH TYR 51 HH TYR 51 -2.164 10.898 -4.824 326 H ALA 52 H ALA 52 -3.298 10.741 2.871 327 HA ALA 52 HA ALA 52 -2.353 8.469 1.466 328 HB1 ALA 52 1HB ALA 52 -1.172 9.629 3.369 329 HB2 ALA 52 2HB ALA 52 -2.332 8.880 4.494 330 HB3 ALA 52 3HB ALA 52 -1.222 7.871 3.530 331 H LEU 53 H LEU 53 -5.105 8.854 3.613 332 HA LEU 53 HA LEU 53 -5.548 5.966 3.893 333 HB3 LEU 53 2HB LEU 53 -7.526 6.825 5.287 334 HG LEU 53 HG LEU 53 -4.617 7.459 5.902 335 HD11 LEU 53 1HD1 LEU 53 -6.922 8.056 7.797 336 HD12 LEU 53 2HD1 LEU 53 -5.922 9.260 6.981 337 HD13 LEU 53 3HD1 LEU 53 -5.153 8.196 8.128 338 HD21 LEU 53 3HD2 LEU 53 -5.419 5.110 6.021 339 HD22 LEU 53 1HD2 LEU 53 -6.656 5.596 7.200 340 HD23 LEU 53 2HD2 LEU 53 -4.928 5.729 7.608 341 H THR 54 H THR 54 -6.800 8.586 1.828 342 HA THR 54 HA THR 54 -9.273 7.166 1.293 343 HB THR 54 HB THR 54 -9.678 8.877 -0.412 344 HG1 THR 54 1HG THR 54 -7.899 9.691 -1.208 345 HG21 THR 54 3HG2 THR 54 -8.724 10.529 1.868 346 HG22 THR 54 1HG2 THR 54 -9.793 9.181 2.274 347 HG23 THR 54 2HG2 THR 54 -10.311 10.415 1.107 348 H VAL 55 H VAL 55 -6.085 7.063 -0.117 349 HA VAL 55 HA VAL 55 -6.966 5.931 -2.625 350 HB VAL 55 HB VAL 55 -5.053 7.390 -2.342 351 HG11 VAL 55 1HG1 VAL 55 -2.874 6.537 -1.510 352 HG12 VAL 55 2HG1 VAL 55 -4.092 6.720 -0.248 353 HG13 VAL 55 3HG1 VAL 55 -3.704 5.104 -0.867 354 HG21 VAL 55 3HG2 VAL 55 -5.198 5.918 -4.304 355 HG22 VAL 55 1HG2 VAL 55 -3.526 6.279 -3.852 356 HG23 VAL 55 2HG2 VAL 55 -4.216 4.694 -3.467 357 H VAL 56 H VAL 56 -6.788 4.488 0.424 358 HA VAL 56 HA VAL 56 -6.021 1.815 -0.471 359 HB VAL 56 HB VAL 56 -7.573 2.525 2.048 360 HG11 VAL 56 1HG1 VAL 56 -5.432 0.441 1.410 361 HG12 VAL 56 2HG1 VAL 56 -6.282 0.613 2.965 362 HG13 VAL 56 3HG1 VAL 56 -7.167 0.121 1.523 363 HG21 VAL 56 3HG2 VAL 56 -4.544 2.819 1.723 364 HG22 VAL 56 1HG2 VAL 56 -5.684 4.122 2.128 365 HG23 VAL 56 2HG2 VAL 56 -5.420 2.816 3.272 366 H THR 57 H THR 57 -7.835 0.095 -0.559 367 HA THR 57 HA THR 57 -9.761 -0.715 -1.190 368 HB THR 57 HB THR 57 -11.677 -0.033 -0.052 369 HG1 THR 57 1HG THR 57 -11.960 2.029 -0.057 370 HG21 THR 57 3HG2 THR 57 -9.385 0.646 1.846 371 HG22 THR 57 1HG2 THR 57 -9.745 -1.027 1.313 372 HG23 THR 57 2HG2 THR 57 -10.939 -0.109 2.253 373 H SER 58 H SER 58 -8.893 1.902 -2.636 374 HA SER 58 HA SER 58 -11.012 3.032 -3.972 375 HB3 SER 58 2HB SER 58 -8.226 2.621 -5.129 376 HG SER 58 HG SER 58 -10.344 4.262 -5.842 377 H ASP 59 H ASP 59 -9.980 -0.236 -4.520 378 HA ASP 59 HA ASP 59 -12.403 -0.528 -5.943 379 HB3 ASP 59 2HB ASP 59 -9.933 -1.850 -7.150 380 H PHE 60 H PHE 60 -12.852 -3.036 -5.875 381 HA PHE 60 HA PHE 60 -11.408 -4.380 -3.624 382 HB3 PHE 60 2HB PHE 60 -13.630 -3.664 -2.793 383 HD1 PHE 60 2HD PHE 60 -14.549 -6.714 -4.808 384 HD2 PHE 60 1HD PHE 60 -15.417 -2.597 -3.930 385 HE1 PHE 60 2HE PHE 60 -16.506 -6.803 -6.320 386 HE2 PHE 60 1HE PHE 60 -17.411 -2.698 -5.404 387 HZ PHE 60 HZ PHE 60 -17.924 -4.794 -6.647 388 H ASP 61 H ASP 61 -12.485 -4.462 -6.914 389 HA ASP 61 HA ASP 61 -13.155 -7.218 -7.049 390 HB3 ASP 61 2HB ASP 61 -12.252 -5.699 -9.477 391 H GLU 62 H GLU 62 -11.876 -8.425 -8.988 392 HA GLU 62 HA GLU 62 -9.418 -9.358 -7.888 393 HB3 GLU 62 2HB GLU 62 -9.213 -10.515 -10.141 394 HG3 GLU 62 2HG GLU 62 -11.807 -10.613 -8.539 395 HA PRO 63 HA PRO 63 -6.778 -6.133 -8.890 396 HB3 PRO 63 2HB PRO 63 -5.158 -7.111 -7.624 397 HG3 PRO 63 2HG PRO 63 -4.859 -9.464 -7.622 398 HD3 PRO 63 2HD PRO 63 -7.178 -9.150 -7.300 399 H GLY 64 H GLY 64 -7.597 -5.335 -10.782 400 HA2 GLY 64 1HA GLY 64 -7.051 -6.344 -13.395 401 HA3 GLY 64 2HA GLY 64 -7.675 -4.729 -12.982 402 H ASP 65 H ASP 65 -5.801 -5.286 -15.059 403 HA ASP 65 HA ASP 65 -3.162 -5.436 -14.100 404 HB3 ASP 65 2HB ASP 65 -4.007 -4.620 -16.901 405 H GLU 66 H GLU 66 -4.871 -2.565 -15.495 406 HA GLU 66 HA GLU 66 -2.950 -0.818 -14.105 407 HB3 GLU 66 2HB GLU 66 -2.646 0.541 -16.182 408 HG3 GLU 66 2HG GLU 66 -1.455 -2.208 -16.513 409 H ASP 67 H ASP 67 -4.856 -0.346 -12.800 410 HA ASP 67 HA ASP 67 -6.474 1.835 -14.092 411 HB3 ASP 67 2HB ASP 67 -8.293 1.132 -12.431 412 H VAL 68 H VAL 68 -5.026 0.554 -11.111 413 HA VAL 68 HA VAL 68 -5.684 2.741 -9.470 414 HB VAL 68 HB VAL 68 -4.833 0.422 -8.900 415 HG11 VAL 68 1HG1 VAL 68 -2.884 0.419 -10.351 416 HG12 VAL 68 2HG1 VAL 68 -2.142 1.718 -9.421 417 HG13 VAL 68 3HG1 VAL 68 -2.394 0.126 -8.677 418 HG21 VAL 68 3HG2 VAL 68 -3.710 1.064 -6.821 419 HG22 VAL 68 1HG2 VAL 68 -3.480 2.718 -7.413 420 HG23 VAL 68 2HG2 VAL 68 -5.113 2.076 -7.123 421 H PHE 69 H PHE 69 -2.954 2.376 -11.787 422 HA PHE 69 HA PHE 69 -1.546 4.780 -11.172 423 HB3 PHE 69 2HB PHE 69 -1.938 3.248 -13.744 424 HD1 PHE 69 1HD PHE 69 -2.328 5.045 -15.374 425 HD2 PHE 69 2HD PHE 69 1.141 5.118 -12.777 426 HE1 PHE 69 1HE PHE 69 -1.462 6.993 -16.587 427 HE2 PHE 69 2HE PHE 69 1.938 7.114 -13.952 428 HZ PHE 69 HZ PHE 69 0.640 8.089 -15.855 429 H ARG 70 H ARG 70 -4.152 4.173 -13.612 430 HA ARG 70 HA ARG 70 -4.398 6.746 -14.534 431 HB3 ARG 70 2HB ARG 70 -6.716 4.793 -14.112 432 HG3 ARG 70 2HG ARG 70 -7.080 5.513 -16.587 433 HD3 ARG 70 2HD ARG 70 -7.761 7.397 -14.306 434 HE ARG 70 HE ARG 70 -8.417 7.585 -17.054 435 HH11 ARG 70 1HH1 ARG 70 -10.038 7.550 -13.917 436 HH12 ARG 70 2HH1 ARG 70 -11.389 8.511 -14.457 437 HH21 ARG 70 1HH2 ARG 70 -10.002 9.045 -17.696 438 HH22 ARG 70 2HH2 ARG 70 -11.191 9.641 -16.610 439 H LYS 71 H LYS 71 -5.576 5.490 -11.418 440 HA LYS 71 HA LYS 71 -7.263 7.862 -10.965 441 HB3 LYS 71 2HB LYS 71 -6.319 5.814 -8.917 442 HG3 LYS 71 2HG LYS 71 -8.924 6.493 -8.338 443 HD3 LYS 71 2HD LYS 71 -6.420 7.777 -7.217 444 HE3 LYS 71 2HE LYS 71 -8.012 8.188 -5.237 445 HZ1 LYS 71 3HZ LYS 71 -8.461 9.818 -7.674 446 HZ2 LYS 71 1HZ LYS 71 -7.277 10.046 -6.590 447 HZ3 LYS 71 2HZ LYS 71 -8.822 10.289 -6.152 448 H LEU 72 H LEU 72 -4.011 6.837 -9.978 449 HA LEU 72 HA LEU 72 -3.456 9.171 -8.304 450 HB3 LEU 72 2HB LEU 72 -0.990 8.480 -9.148 451 HG LEU 72 HG LEU 72 -0.795 6.666 -7.471 452 HD11 LEU 72 1HD1 LEU 72 -1.115 8.162 -5.526 453 HD12 LEU 72 2HD1 LEU 72 -2.009 9.291 -6.575 454 HD13 LEU 72 3HD1 LEU 72 -0.301 8.928 -6.900 455 HD21 LEU 72 3HD2 LEU 72 -3.716 7.258 -6.854 456 HD22 LEU 72 1HD2 LEU 72 -2.617 6.213 -5.944 457 HD23 LEU 72 2HD2 LEU 72 -3.059 5.775 -7.598 458 H ALA 73 H ALA 73 -3.005 8.444 -11.775 459 HA ALA 73 HA ALA 73 -1.474 10.753 -12.373 460 HB1 ALA 73 1HB ALA 73 -1.659 8.828 -13.899 461 HB2 ALA 73 2HB ALA 73 -3.384 9.173 -14.151 462 HB3 ALA 73 3HB ALA 73 -2.144 10.319 -14.708 463 H ALA 74 H ALA 74 -4.991 10.182 -12.288 464 HA ALA 74 HA ALA 74 -5.738 12.836 -13.143 465 HB1 ALA 74 1HB ALA 74 -7.346 11.016 -13.291 466 HB2 ALA 74 2HB ALA 74 -7.251 10.707 -11.546 467 HB3 ALA 74 3HB ALA 74 -7.981 12.201 -12.152 468 H ASP 75 H ASP 75 -4.071 12.060 -10.358 469 HA ASP 75 HA ASP 75 -5.275 14.272 -8.758 470 HB3 ASP 75 2HB ASP 75 -3.391 13.006 -7.132 471 H LEU 76 H LEU 76 -2.037 12.760 -9.570 472 HA LEU 76 HA LEU 76 -0.737 15.335 -9.144 473 HB3 LEU 76 2HB LEU 76 1.300 14.160 -9.684 474 HG LEU 76 HG LEU 76 1.635 12.783 -7.981 475 HD11 LEU 76 1HD1 LEU 76 0.482 13.597 -6.035 476 HD12 LEU 76 2HD1 LEU 76 -0.901 14.150 -6.997 477 HD13 LEU 76 3HD1 LEU 76 0.675 14.944 -7.168 478 HD21 LEU 76 3HD2 LEU 76 0.115 11.030 -8.781 479 HD22 LEU 76 1HD2 LEU 76 -1.205 11.811 -7.870 480 HD23 LEU 76 2HD2 LEU 76 0.227 11.192 -7.018 481 H GLU 77 H GLU 77 -2.694 15.354 -11.268 482 HA GLU 77 HA GLU 77 -1.535 15.061 -13.854 483 HB3 GLU 77 2HB GLU 77 -3.761 17.008 -13.141 484 HG3 GLU 77 2HG GLU 77 -2.764 16.334 -15.593 485 H GLY 78 H GLY 78 0.444 16.147 -14.192 486 HA2 GLY 78 1HA GLY 78 1.820 17.965 -14.574 487 HA3 GLY 78 2HA GLY 78 0.537 19.062 -14.082 488 H LYS 79 H LYS 79 1.532 16.437 -11.917 489 HA LYS 79 HA LYS 79 3.510 18.173 -10.599 490 HB3 LYS 79 2HB LYS 79 2.972 17.249 -8.422 491 HG3 LYS 79 2HG LYS 79 2.039 19.452 -9.510 492 HD3 LYS 79 2HD LYS 79 -0.345 17.669 -9.273 493 HE3 LYS 79 2HE LYS 79 -0.526 19.503 -7.530 494 HZ1 LYS 79 3HZ LYS 79 -0.650 21.234 -9.942 495 HZ2 LYS 79 1HZ LYS 79 0.417 21.376 -8.717 496 HZ3 LYS 79 2HZ LYS 79 -1.163 21.686 -8.446 497 H ALA 80 H ALA 80 2.483 14.789 -11.483 498 HA ALA 80 HA ALA 80 5.276 14.107 -11.430 499 HB1 ALA 80 1HB ALA 80 4.866 11.965 -10.266 500 HB2 ALA 80 2HB ALA 80 4.616 13.342 -9.183 501 HB3 ALA 80 3HB ALA 80 3.215 12.476 -9.865 502 H ASP 81 H ASP 81 5.640 12.685 -12.914 503 HA ASP 81 HA ASP 81 3.666 12.450 -15.062 504 HB3 ASP 81 2HB ASP 81 5.632 12.269 -16.467 505 H GLU 82 H GLU 82 3.864 10.395 -16.490 506 HA GLU 82 HA GLU 82 3.404 8.074 -14.986 507 HB3 GLU 82 2HB GLU 82 4.439 8.093 -17.828 508 HG3 GLU 82 2HG GLU 82 2.234 6.285 -16.886 509 H GLU 83 H GLU 83 6.322 9.237 -16.508 510 HA GLU 83 HA GLU 83 8.181 7.196 -16.059 511 HB3 GLU 83 2HB GLU 83 8.661 10.173 -15.962 512 HG3 GLU 83 2HG GLU 83 10.247 7.967 -17.361 513 H THR 84 H THR 84 6.600 9.127 -13.654 514 HA THR 84 HA THR 84 8.672 8.464 -11.618 515 HB THR 84 HB THR 84 6.720 10.806 -11.659 516 HG1 THR 84 1HG THR 84 9.505 10.836 -12.198 517 HG21 THR 84 3HG2 THR 84 7.449 10.192 -9.390 518 HG22 THR 84 1HG2 THR 84 8.167 11.736 -9.878 519 HG23 THR 84 2HG2 THR 84 9.148 10.257 -9.898 520 H ILE 85 H ILE 85 5.095 9.078 -11.979 521 HA ILE 85 HA ILE 85 4.472 7.882 -9.508 522 HB ILE 85 HB ILE 85 2.773 7.759 -11.965 523 HG13 ILE 85 2HG1 ILE 85 3.558 10.207 -11.401 524 HG21 ILE 85 1HG2 ILE 85 0.989 8.086 -9.947 525 HG22 ILE 85 2HG2 ILE 85 1.699 6.502 -10.254 526 HG23 ILE 85 3HG2 ILE 85 2.325 7.539 -8.954 527 HD11 ILE 85 3HD1 ILE 85 1.374 11.186 -11.837 528 HD12 ILE 85 1HD1 ILE 85 1.607 9.762 -12.873 529 HD13 ILE 85 2HD1 ILE 85 0.559 9.704 -11.423 530 H ARG 86 H ARG 86 4.523 6.307 -12.838 531 HA ARG 86 HA ARG 86 3.685 3.752 -11.743 532 HB3 ARG 86 2HB ARG 86 4.917 2.783 -13.786 533 HG3 ARG 86 2HG ARG 86 2.845 4.801 -14.575 534 HD3 ARG 86 2HD ARG 86 4.094 3.350 -16.272 535 HE ARG 86 HE ARG 86 3.191 1.220 -14.662 536 HH11 ARG 86 1HH1 ARG 86 3.260 2.000 -18.138 537 HH12 ARG 86 2HH1 ARG 86 2.401 0.559 -18.574 538 HH21 ARG 86 1HH2 ARG 86 2.539 -0.929 -15.393 539 HH22 ARG 86 2HH2 ARG 86 1.934 -1.011 -17.028 540 H ALA 87 H ALA 87 6.641 5.532 -11.846 541 HA ALA 87 HA ALA 87 8.476 3.305 -11.469 542 HB1 ALA 87 1HB ALA 87 9.083 6.073 -10.396 543 HB2 ALA 87 2HB ALA 87 10.174 4.831 -10.991 544 HB3 ALA 87 3HB ALA 87 9.138 5.710 -12.129 545 H LYS 88 H LYS 88 7.254 5.668 -9.085 546 HA LYS 88 HA LYS 88 8.004 4.097 -6.791 547 HB3 LYS 88 2HB LYS 88 6.293 5.534 -5.574 548 HG3 LYS 88 2HG LYS 88 8.818 6.178 -6.716 549 HD3 LYS 88 2HD LYS 88 6.962 8.561 -6.696 550 HE3 LYS 88 2HE LYS 88 9.139 9.173 -5.690 551 HZ1 LYS 88 3HZ LYS 88 10.318 8.090 -8.204 552 HZ2 LYS 88 1HZ LYS 88 10.699 7.650 -6.698 553 HZ3 LYS 88 2HZ LYS 88 11.057 9.166 -7.298 554 H MET 89 H MET 89 5.097 4.017 -8.801 555 HA MET 89 HA MET 89 3.577 2.382 -7.052 556 HB3 MET 89 2HB MET 89 3.474 2.571 -10.041 557 HG3 MET 89 2HG MET 89 1.325 1.754 -8.044 558 HE1 MET 89 3HE MET 89 0.804 1.108 -12.572 559 HE2 MET 89 1HE MET 89 2.397 1.440 -11.866 560 HE3 MET 89 2HE MET 89 1.492 -0.030 -11.414 561 H VAL 90 H VAL 90 6.082 1.505 -9.480 562 HA VAL 90 HA VAL 90 5.968 -1.356 -8.914 563 HB VAL 90 HB VAL 90 8.095 0.453 -10.153 564 HG11 VAL 90 1HG1 VAL 90 9.122 -1.568 -9.150 565 HG12 VAL 90 2HG1 VAL 90 7.931 -2.596 -9.937 566 HG13 VAL 90 3HG1 VAL 90 9.125 -1.699 -10.912 567 HG21 VAL 90 3HG2 VAL 90 6.015 0.155 -11.555 568 HG22 VAL 90 1HG2 VAL 90 7.470 -0.519 -12.273 569 HG23 VAL 90 2HG2 VAL 90 6.300 -1.605 -11.518 570 H GLU 91 H GLU 91 8.250 1.272 -7.993 571 HA GLU 91 HA GLU 91 9.882 -0.320 -6.453 572 HB3 GLU 91 2HB GLU 91 9.680 2.656 -5.974 573 HG3 GLU 91 2HG GLU 91 11.988 0.774 -6.682 574 H LEU 92 H LEU 92 6.870 0.650 -5.395 575 HA LEU 92 HA LEU 92 7.664 0.377 -2.513 576 HB3 LEU 92 2HB LEU 92 5.296 1.388 -2.197 577 HG LEU 92 HG LEU 92 7.427 3.079 -3.633 578 HD11 LEU 92 1HD1 LEU 92 6.246 5.033 -2.632 579 HD12 LEU 92 2HD1 LEU 92 4.938 3.955 -2.123 580 HD13 LEU 92 3HD1 LEU 92 5.295 4.173 -3.847 581 HD21 LEU 92 3HD2 LEU 92 6.805 2.772 -0.676 582 HD22 LEU 92 1HD2 LEU 92 7.989 3.905 -1.374 583 HD23 LEU 92 2HD2 LEU 92 8.259 2.165 -1.520 584 H ARG 93 H ARG 93 6.323 -1.358 -5.126 585 HA ARG 93 HA ARG 93 4.159 -2.535 -3.623 586 HB3 ARG 93 2HB ARG 93 4.979 -3.936 -6.113 587 HG3 ARG 93 2HG ARG 93 2.693 -4.097 -5.103 588 HD3 ARG 93 2HD ARG 93 2.693 -1.126 -5.649 589 HE ARG 93 HE ARG 93 0.045 -1.951 -5.221 590 HH11 ARG 93 1HH1 ARG 93 2.249 -1.697 -7.996 591 HH12 ARG 93 2HH1 ARG 93 0.982 -2.000 -9.152 592 HH21 ARG 93 1HH2 ARG 93 -1.622 -2.241 -6.787 593 HH22 ARG 93 2HH2 ARG 93 -1.277 -2.155 -8.450 594 H ALA 94 H ALA 94 7.212 -3.785 -4.998 595 HA ALA 94 HA ALA 94 7.180 -6.342 -3.771 596 HB1 ALA 94 1HB ALA 94 9.597 -6.299 -4.397 597 HB2 ALA 94 2HB ALA 94 8.585 -5.690 -5.723 598 HB3 ALA 94 3HB ALA 94 9.487 -4.558 -4.696 599 H THR 95 H THR 95 8.121 -3.195 -2.600 600 HA THR 95 HA THR 95 9.678 -3.938 -0.329 601 HB THR 95 HB THR 95 8.235 -1.304 -0.846 602 HG1 THR 95 1HG THR 95 10.673 -2.188 -2.019 603 HG21 THR 95 3HG2 THR 95 9.567 -1.469 1.240 604 HG22 THR 95 1HG2 THR 95 10.261 -0.309 0.107 605 HG23 THR 95 2HG2 THR 95 10.996 -1.920 0.304 606 H ALA 96 H ALA 96 6.324 -2.628 -0.758 607 HA ALA 96 HA ALA 96 5.477 -3.013 1.914 608 HB1 ALA 96 1HB ALA 96 3.303 -2.500 1.007 609 HB2 ALA 96 2HB ALA 96 4.518 -1.467 0.244 610 HB3 ALA 96 3HB ALA 96 3.901 -2.845 -0.655 611 H ARG 97 H ARG 97 6.528 -5.487 0.202 612 HA ARG 97 HA ARG 97 4.573 -7.407 1.324 613 HB3 ARG 97 2HB ARG 97 6.968 -8.636 0.227 614 HG3 ARG 97 2HG ARG 97 4.711 -8.800 -1.599 615 HD3 ARG 97 2HD ARG 97 5.937 -10.776 0.360 616 HE ARG 97 HE ARG 97 3.558 -11.031 -1.318 617 HH11 ARG 97 1HH1 ARG 97 6.188 -12.928 0.262 618 HH12 ARG 97 2HH1 ARG 97 5.202 -14.315 0.436 619 HH21 ARG 97 1HH2 ARG 97 2.280 -12.995 -1.030 620 HH22 ARG 97 2HH2 ARG 97 3.045 -14.326 -0.213 621 H GLU 98 H GLU 98 8.113 -6.719 1.236 622 HA GLU 98 HA GLU 98 8.708 -8.164 3.505 623 HB3 GLU 98 2HB GLU 98 10.783 -6.439 3.358 624 HG3 GLU 98 2HG GLU 98 11.628 -7.723 1.389 625 H GLN 99 H GLN 99 8.027 -4.704 3.209 626 HA GLN 99 HA GLN 99 8.490 -3.850 5.848 627 HB3 GLN 99 2HB GLN 99 6.718 -2.104 5.130 628 HG3 GLN 99 2HG GLN 99 9.153 -2.546 3.370 629 HE21 GLN 99 1HE2 GLN 99 9.517 0.472 3.981 630 HE22 GLN 99 2HE2 GLN 99 8.489 1.190 2.748 631 H ILE 100 H ILE 100 6.060 -6.110 4.926 632 HA ILE 100 HA ILE 100 4.109 -5.318 6.918 633 HB ILE 100 HB ILE 100 4.681 -7.932 5.470 634 HG13 ILE 100 2HG1 ILE 100 2.359 -7.468 4.547 635 HG21 ILE 100 1HG2 ILE 100 2.680 -7.520 7.690 636 HG22 ILE 100 2HG2 ILE 100 2.528 -8.807 6.468 637 HG23 ILE 100 3HG2 ILE 100 3.924 -8.772 7.526 638 HD11 ILE 100 3HD1 ILE 100 1.971 -5.499 6.369 639 HD12 ILE 100 1HD1 ILE 100 2.689 -4.558 5.042 640 HD13 ILE 100 2HD1 ILE 100 1.207 -5.522 4.799 641 H ILE 101 H ILE 101 6.547 -8.039 7.042 642 HA ILE 101 HA ILE 101 6.103 -8.293 9.853 643 HB ILE 101 HB ILE 101 8.337 -9.280 8.059 644 HG13 ILE 101 2HG1 ILE 101 7.177 -11.288 7.841 645 HG21 ILE 101 1HG2 ILE 101 9.201 -9.353 10.271 646 HG22 ILE 101 2HG2 ILE 101 7.695 -9.981 10.928 647 HG23 ILE 101 3HG2 ILE 101 8.722 -10.999 9.863 648 HD11 ILE 101 3HD1 ILE 101 5.074 -10.387 9.842 649 HD12 ILE 101 1HD1 ILE 101 5.036 -11.865 8.881 650 HD13 ILE 101 2HD1 ILE 101 6.264 -11.675 10.125 651 H SER 102 H SER 102 8.476 -6.504 7.888 652 HA SER 102 HA SER 102 10.051 -5.706 10.144 653 HB3 SER 102 2HB SER 102 9.805 -4.319 7.448 654 HG SER 102 HG SER 102 12.011 -4.733 9.200 655 H GLU 103 H GLU 103 6.829 -4.759 9.450 656 HA GLU 103 HA GLU 103 7.064 -2.128 10.823 657 HB3 GLU 103 2HB GLU 103 4.879 -3.564 9.285 658 HG3 GLU 103 2HG GLU 103 4.560 -0.984 10.805 659 H ILE 104 H ILE 104 6.358 -5.478 11.441 660 HA ILE 104 HA ILE 104 4.301 -5.099 13.367 661 HB ILE 104 HB ILE 104 6.218 -7.403 12.909 662 HG13 ILE 104 2HG1 ILE 104 4.703 -6.991 11.072 663 HG21 ILE 104 1HG2 ILE 104 4.910 -8.754 14.349 664 HG22 ILE 104 2HG2 ILE 104 5.365 -7.350 15.283 665 HG23 ILE 104 3HG2 ILE 104 3.713 -7.443 14.641 666 HD11 ILE 104 3HD1 ILE 104 3.160 -9.097 12.561 667 HD12 ILE 104 1HD1 ILE 104 3.442 -8.948 10.824 668 HD13 ILE 104 2HD1 ILE 104 4.787 -9.423 11.897 Start of MODEL 3 1 H1 MET 1 H MET 1 -11.012 -18.929 15.527 2 HA MET 1 HA MET 1 -9.102 -18.806 13.969 3 HB3 MET 1 2HB MET 1 -10.364 -19.577 11.974 4 HG3 MET 1 2HG MET 1 -11.713 -16.879 12.278 5 HE1 MET 1 3HE MET 1 -13.855 -17.124 9.960 6 HE2 MET 1 1HE MET 1 -13.082 -15.649 10.567 7 HE3 MET 1 2HE MET 1 -13.099 -15.985 8.819 8 H THR 2 H THR 2 -8.534 -16.509 12.753 9 HA THR 2 HA THR 2 -8.219 -14.344 12.917 10 HB THR 2 HB THR 2 -10.550 -13.879 14.769 11 HG1 THR 2 1HG THR 2 -10.955 -13.974 11.968 12 HG21 THR 2 3HG2 THR 2 -10.820 -11.831 13.392 13 HG22 THR 2 1HG2 THR 2 -9.417 -12.310 12.408 14 HG23 THR 2 2HG2 THR 2 -9.219 -11.907 14.126 15 H THR 3 H THR 3 -7.574 -16.544 15.080 16 HA THR 3 HA THR 3 -6.815 -14.807 17.328 17 HB THR 3 HB THR 3 -7.596 -16.953 18.602 18 HG1 THR 3 1HG THR 3 -8.980 -18.226 17.560 19 HG21 THR 3 3HG2 THR 3 -9.677 -15.240 17.179 20 HG22 THR 3 1HG2 THR 3 -8.748 -14.747 18.603 21 HG23 THR 3 2HG2 THR 3 -9.860 -16.116 18.718 22 H PHE 4 H PHE 4 -4.861 -15.674 15.247 23 HA PHE 4 HA PHE 4 -3.301 -17.848 16.424 24 HB3 PHE 4 2HB PHE 4 -1.427 -16.918 15.004 25 HD1 PHE 4 1HD PHE 4 -2.085 -19.435 14.628 26 HD2 PHE 4 2HD PHE 4 -3.716 -16.092 12.495 27 HE1 PHE 4 1HE PHE 4 -2.795 -20.946 12.793 28 HE2 PHE 4 2HE PHE 4 -4.429 -17.602 10.636 29 HZ PHE 4 HZ PHE 4 -4.016 -20.045 10.824 30 H ASP 5 H ASP 5 -1.105 -17.446 17.233 31 HA ASP 5 HA ASP 5 -1.108 -15.895 19.571 32 HB3 ASP 5 2HB ASP 5 1.041 -16.813 19.971 33 H ASP 6 H ASP 6 1.154 -14.543 20.010 34 HA ASP 6 HA ASP 6 1.331 -12.404 17.978 35 HB3 ASP 6 2HB ASP 6 3.287 -11.671 19.479 36 H ARG 7 H ARG 7 3.354 -15.300 19.083 37 HA ARG 7 HA ARG 7 5.151 -14.680 16.853 38 HB3 ARG 7 2HB ARG 7 7.064 -15.238 18.440 39 HG3 ARG 7 2HG ARG 7 5.489 -12.735 19.190 40 HD3 ARG 7 2HD ARG 7 7.865 -11.794 19.229 41 HE ARG 7 HE ARG 7 7.843 -13.760 21.392 42 HH11 ARG 7 1HH1 ARG 7 6.401 -10.670 20.272 43 HH12 ARG 7 2HH1 ARG 7 6.087 -10.124 21.878 44 HH21 ARG 7 1HH2 ARG 7 7.534 -12.870 23.556 45 HH22 ARG 7 2HH2 ARG 7 6.705 -11.346 23.689 46 H GLU 8 H GLU 8 6.804 -16.646 16.804 47 HA GLU 8 HA GLU 8 7.133 -18.748 16.251 48 HB3 GLU 8 2HB GLU 8 5.000 -19.731 18.114 49 HG3 GLU 8 2HG GLU 8 7.923 -20.487 17.810 50 H ARG 9 H ARG 9 6.520 -18.817 14.140 51 HA ARG 9 HA ARG 9 5.314 -19.290 12.250 52 HB3 ARG 9 2HB ARG 9 3.642 -21.023 12.241 53 HG3 ARG 9 2HG ARG 9 4.616 -22.882 13.374 54 HD3 ARG 9 2HD ARG 9 7.048 -21.207 12.674 55 HE ARG 9 HE ARG 9 6.562 -23.782 11.450 56 HH11 ARG 9 1HH1 ARG 9 7.727 -22.329 14.473 57 HH12 ARG 9 2HH1 ARG 9 8.241 -23.818 15.174 58 HH21 ARG 9 1HH2 ARG 9 7.582 -25.720 12.242 59 HH22 ARG 9 2HH2 ARG 9 8.354 -25.736 13.800 60 H ALA 10 H ALA 10 4.225 -17.176 14.362 61 HA ALA 10 HA ALA 10 1.465 -16.913 13.299 62 HB1 ALA 10 1HB ALA 10 2.624 -15.808 15.882 63 HB2 ALA 10 2HB ALA 10 0.932 -15.797 15.362 64 HB3 ALA 10 3HB ALA 10 1.723 -17.337 15.738 65 H HIS 11 H HIS 11 4.483 -15.034 13.920 66 HA HIS 11 HA HIS 11 3.513 -13.233 11.772 67 HB3 HIS 11 2HB HIS 11 5.272 -11.637 12.804 68 HD1 HIS 11 1HD HIS 11 4.184 -9.423 13.474 69 HD2 HIS 11 2HD HIS 11 1.907 -12.793 14.563 70 HE1 HIS 11 1HE HIS 11 2.018 -8.540 14.507 71 H GLU 12 H GLU 12 6.190 -14.913 13.125 72 HA GLU 12 HA GLU 12 8.195 -14.292 11.264 73 HB3 GLU 12 2HB GLU 12 9.038 -16.729 11.828 74 HG3 GLU 12 2HG GLU 12 8.787 -14.361 13.657 75 H ALA 13 H ALA 13 5.917 -17.053 11.082 76 HA ALA 13 HA ALA 13 6.843 -17.481 8.259 77 HB1 ALA 13 1HB ALA 13 6.371 -19.807 8.528 78 HB2 ALA 13 2HB ALA 13 7.410 -19.285 9.864 79 HB3 ALA 13 3HB ALA 13 5.664 -19.549 10.126 80 H LYS 14 H LYS 14 4.002 -16.814 10.200 81 HA LYS 14 HA LYS 14 1.928 -17.790 8.726 82 HB3 LYS 14 2HB LYS 14 2.160 -15.047 10.040 83 HG3 LYS 14 2HG LYS 14 -0.060 -15.412 8.870 84 HD3 LYS 14 2HD LYS 14 -1.601 -16.754 10.567 85 HE3 LYS 14 2HE LYS 14 -0.061 -17.987 8.267 86 HZ1 LYS 14 3HZ LYS 14 -1.915 -19.605 8.319 87 HZ2 LYS 14 1HZ LYS 14 -2.248 -19.156 9.859 88 HZ3 LYS 14 2HZ LYS 14 -0.792 -19.835 9.478 89 H PHE 15 H PHE 15 3.921 -14.953 7.879 90 HA PHE 15 HA PHE 15 2.102 -14.367 5.607 91 HB3 PHE 15 2HB PHE 15 2.971 -12.145 5.718 92 HD1 PHE 15 1HD PHE 15 0.548 -12.043 6.332 93 HD2 PHE 15 2HD PHE 15 3.593 -12.654 9.291 94 HE1 PHE 15 1HE PHE 15 -1.041 -11.393 8.104 95 HE2 PHE 15 2HE PHE 15 1.981 -11.957 11.071 96 HZ PHE 15 HZ PHE 15 -0.321 -11.336 10.475 97 H ALA 16 H ALA 16 5.393 -15.385 6.451 98 HA ALA 16 HA ALA 16 6.629 -15.087 3.910 99 HB1 ALA 16 1HB ALA 16 8.089 -16.920 4.610 100 HB2 ALA 16 2HB ALA 16 7.823 -15.814 5.971 101 HB3 ALA 16 3HB ALA 16 6.967 -17.377 5.900 102 H HIS 17 H HIS 17 4.576 -17.660 5.228 103 HA HIS 17 HA HIS 17 4.199 -19.111 2.772 104 HB3 HIS 17 2HB HIS 17 2.328 -20.152 4.223 105 HD1 HIS 17 1HD HIS 17 4.353 -21.618 2.879 106 HD2 HIS 17 2HD HIS 17 4.880 -20.399 6.878 107 HE1 HIS 17 1HE HIS 17 6.150 -23.097 3.818 108 H ASP 18 H ASP 18 3.521 -16.114 2.873 109 HA ASP 18 HA ASP 18 2.152 -14.733 1.948 110 HB3 ASP 18 2HB ASP 18 3.120 -16.175 0.114 111 H ALA 19 H ALA 19 -0.311 -15.487 0.345 112 HA ALA 19 HA ALA 19 -2.462 -15.068 0.527 113 HB1 ALA 19 1HB ALA 19 -2.302 -17.461 0.912 114 HB2 ALA 19 2HB ALA 19 -2.258 -17.196 2.664 115 HB3 ALA 19 3HB ALA 19 -3.706 -16.749 1.736 116 H GLU 20 H GLU 20 -1.675 -15.480 3.963 117 HA GLU 20 HA GLU 20 -3.475 -13.461 5.010 118 HB3 GLU 20 2HB GLU 20 -0.852 -14.412 6.238 119 HG3 GLU 20 2HG GLU 20 -2.649 -12.768 7.367 120 H LEU 21 H LEU 21 -0.164 -13.584 3.814 121 HA LEU 21 HA LEU 21 0.739 -10.938 4.365 122 HB3 LEU 21 2HB LEU 21 1.228 -12.817 2.019 123 HG LEU 21 HG LEU 21 2.263 -10.254 2.082 124 HD11 LEU 21 1HD1 LEU 21 4.594 -10.378 2.736 125 HD12 LEU 21 2HD1 LEU 21 4.450 -12.089 3.147 126 HD13 LEU 21 3HD1 LEU 21 3.623 -10.883 4.126 127 HD21 LEU 21 3HD2 LEU 21 2.310 -11.891 0.197 128 HD22 LEU 21 1HD2 LEU 21 3.667 -12.728 0.972 129 HD23 LEU 21 2HD2 LEU 21 3.854 -11.053 0.409 130 H ASN 22 H ASN 22 -0.876 -12.294 1.532 131 HA ASN 22 HA ASN 22 -1.231 -9.809 0.101 132 HB3 ASN 22 2HB ASN 22 -2.468 -11.208 -1.487 133 HD21 ASN 22 1HD2 ASN 22 -1.342 -14.000 -1.804 134 HD22 ASN 22 2HD2 ASN 22 0.306 -13.719 -2.241 135 H PHE 23 H PHE 23 -2.434 -10.193 2.911 136 HA PHE 23 HA PHE 23 -5.089 -9.033 2.251 137 HB3 PHE 23 2HB PHE 23 -4.539 -10.827 4.617 138 HD1 PHE 23 1HD PHE 23 -6.933 -10.273 1.885 139 HD2 PHE 23 2HD PHE 23 -6.430 -10.152 6.121 140 HE1 PHE 23 1HE PHE 23 -9.408 -9.877 2.165 141 HE2 PHE 23 2HE PHE 23 -8.831 -9.682 6.428 142 HZ PHE 23 HZ PHE 23 -10.337 -9.615 4.455 143 H LYS 24 H LYS 24 -2.218 -8.739 3.792 144 HA LYS 24 HA LYS 24 -3.042 -6.420 5.479 145 HB3 LYS 24 2HB LYS 24 -0.866 -6.944 6.628 146 HG3 LYS 24 2HG LYS 24 -1.334 -9.504 7.023 147 HD3 LYS 24 2HD LYS 24 -3.392 -7.390 7.831 148 HE3 LYS 24 2HE LYS 24 -2.621 -10.106 8.904 149 HZ1 LYS 24 3HZ LYS 24 -4.223 -8.002 10.239 150 HZ2 LYS 24 1HZ LYS 24 -2.799 -8.672 10.759 151 HZ3 LYS 24 2HZ LYS 24 -4.176 -9.568 10.729 152 H ALA 25 H ALA 25 -0.233 -7.442 3.494 153 HA ALA 25 HA ALA 25 0.893 -4.875 3.164 154 HB1 ALA 25 1HB ALA 25 2.131 -6.917 2.706 155 HB2 ALA 25 2HB ALA 25 0.974 -7.397 1.438 156 HB3 ALA 25 3HB ALA 25 2.017 -5.993 1.194 157 H GLU 26 H GLU 26 -1.692 -6.581 1.433 158 HA GLU 26 HA GLU 26 -1.796 -4.947 -0.813 159 HB3 GLU 26 2HB GLU 26 -2.776 -7.217 -0.640 160 HG3 GLU 26 2HG GLU 26 -3.671 -7.117 1.637 161 H ALA 27 H ALA 27 -3.577 -4.532 2.290 162 HA ALA 27 HA ALA 27 -4.852 -2.098 1.379 163 HB1 ALA 27 1HB ALA 27 -5.262 -1.885 3.904 164 HB2 ALA 27 2HB ALA 27 -5.964 -3.253 3.058 165 HB3 ALA 27 3HB ALA 27 -4.496 -3.501 4.059 166 H ARG 28 H ARG 28 -2.157 -2.912 3.616 167 HA ARG 28 HA ARG 28 -1.525 -0.311 4.360 168 HB3 ARG 28 2HB ARG 28 0.931 -1.413 4.452 169 HG3 ARG 28 2HG ARG 28 0.282 -2.559 6.604 170 HD3 ARG 28 2HD ARG 28 -0.692 0.307 6.362 171 HE ARG 28 HE ARG 28 0.703 -1.079 8.624 172 HH11 ARG 28 1HH1 ARG 28 -2.190 0.746 7.611 173 HH12 ARG 28 2HH1 ARG 28 -2.600 1.234 9.215 174 HH21 ARG 28 1HH2 ARG 28 0.113 -0.546 10.703 175 HH22 ARG 28 2HH2 ARG 28 -1.398 0.266 11.030 176 H ARG 29 H ARG 29 -0.210 -2.012 1.413 177 HA ARG 29 HA ARG 29 1.576 0.032 0.764 178 HB3 ARG 29 2HB ARG 29 1.363 -2.179 -0.442 179 HG3 ARG 29 2HG ARG 29 -1.050 -0.971 -1.818 180 HD3 ARG 29 2HD ARG 29 0.607 -3.440 -2.353 181 HE ARG 29 HE ARG 29 -1.355 -4.378 -2.964 182 HH11 ARG 29 1HH1 ARG 29 -1.852 -0.877 -3.721 183 HH12 ARG 29 2HH1 ARG 29 -3.223 -1.256 -4.661 184 HH21 ARG 29 1HH2 ARG 29 -3.302 -4.639 -4.245 185 HH22 ARG 29 2HH2 ARG 29 -3.821 -3.296 -5.196 186 H ASN 30 H ASN 30 -1.960 0.074 0.256 187 HA ASN 30 HA ASN 30 -1.889 2.437 -1.439 188 HB3 ASN 30 2HB ASN 30 -4.353 2.456 -1.053 189 HD21 ASN 30 1HD2 ASN 30 -5.087 -0.722 -1.141 190 HD22 ASN 30 2HD2 ASN 30 -4.615 -0.974 -2.803 191 H ARG 31 H ARG 31 -1.699 1.877 1.966 192 HA ARG 31 HA ARG 31 -2.508 4.540 2.853 193 HB3 ARG 31 2HB ARG 31 -0.809 2.475 4.244 194 HG3 ARG 31 2HG ARG 31 -2.899 3.495 5.929 195 HD3 ARG 31 2HD ARG 31 0.132 3.709 5.825 196 HE ARG 31 HE ARG 31 -0.903 5.689 6.904 197 HH11 ARG 31 1HH1 ARG 31 -0.574 2.712 8.819 198 HH12 ARG 31 2HH1 ARG 31 -0.656 3.501 10.346 199 HH21 ARG 31 1HH2 ARG 31 -0.503 6.752 8.848 200 HH22 ARG 31 2HH2 ARG 31 -0.691 5.952 10.344 201 H LEU 32 H LEU 32 0.123 3.375 1.166 202 HA LEU 32 HA LEU 32 2.005 5.413 2.274 203 HB3 LEU 32 2HB LEU 32 3.813 4.047 1.560 204 HG LEU 32 HG LEU 32 1.671 2.209 2.661 205 HD11 LEU 32 1HD1 LEU 32 4.640 1.778 2.512 206 HD12 LEU 32 2HD1 LEU 32 3.393 0.938 1.543 207 HD13 LEU 32 3HD1 LEU 32 3.447 0.702 3.296 208 HD21 LEU 32 3HD2 LEU 32 3.955 3.492 4.145 209 HD22 LEU 32 1HD2 LEU 32 2.698 2.420 4.794 210 HD23 LEU 32 2HD2 LEU 32 2.260 4.046 4.212 211 H LEU 33 H LEU 33 0.579 4.231 -0.874 212 HA LEU 33 HA LEU 33 2.239 5.834 -2.498 213 HB3 LEU 33 2HB LEU 33 -0.340 5.623 -3.713 214 HG LEU 33 HG LEU 33 2.335 4.605 -4.173 215 HD11 LEU 33 1HD1 LEU 33 1.919 2.433 -5.111 216 HD12 LEU 33 2HD1 LEU 33 0.175 2.567 -4.809 217 HD13 LEU 33 3HD1 LEU 33 1.279 2.406 -3.449 218 HD21 LEU 33 3HD2 LEU 33 1.156 5.963 -5.798 219 HD22 LEU 33 1HD2 LEU 33 -0.021 4.645 -6.051 220 HD23 LEU 33 2HD2 LEU 33 1.699 4.420 -6.503 221 H GLY 34 H GLY 34 -0.626 6.712 -0.552 222 HA2 GLY 34 1HA GLY 34 -0.858 9.314 -1.810 223 HA3 GLY 34 2HA GLY 34 -1.707 8.729 -0.386 224 H GLU 35 H GLU 35 0.948 7.952 0.976 225 HA GLU 35 HA GLU 35 1.643 10.512 2.150 226 HB3 GLU 35 2HB GLU 35 3.414 9.310 3.299 227 HG3 GLU 35 2HG GLU 35 2.330 6.991 3.838 228 H TRP 36 H TRP 36 2.781 8.631 -0.594 229 HA TRP 36 HA TRP 36 5.178 10.228 -1.183 230 HB3 TRP 36 2HB TRP 36 3.558 8.135 -2.648 231 HD1 TRP 36 HD TRP 36 6.993 9.844 -3.321 232 HE1 TRP 36 1HE TRP 36 7.238 10.140 -5.857 233 HE3 TRP 36 3HE TRP 36 2.566 7.690 -4.874 234 HZ2 TRP 36 2HZ TRP 36 5.690 9.707 -8.188 235 HZ3 TRP 36 3HZ TRP 36 1.952 7.778 -7.283 236 HH2 TRP 36 HH TRP 36 3.488 8.840 -8.936 237 H ALA 37 H ALA 37 1.952 9.854 -2.786 238 HA ALA 37 HA ALA 37 2.244 11.977 -4.520 239 HB1 ALA 37 1HB ALA 37 -0.298 10.895 -3.274 240 HB2 ALA 37 2HB ALA 37 -0.217 11.839 -4.773 241 HB3 ALA 37 3HB ALA 37 0.542 10.225 -4.687 242 H ALA 38 H ALA 38 0.885 12.126 -1.186 243 HA ALA 38 HA ALA 38 -0.043 14.744 -1.162 244 HB1 ALA 38 1HB ALA 38 -0.402 13.218 0.678 245 HB2 ALA 38 2HB ALA 38 1.340 13.124 1.012 246 HB3 ALA 38 3HB ALA 38 0.465 14.637 1.295 247 H GLY 39 H GLY 39 3.345 13.567 -0.889 248 HA2 GLY 39 1HA GLY 39 4.494 16.146 -0.201 249 HA3 GLY 39 2HA GLY 39 5.350 14.704 -0.760 250 H LEU 40 H LEU 40 3.496 14.660 -3.212 251 HA LEU 40 HA LEU 40 5.195 16.351 -4.894 252 HB3 LEU 40 2HB LEU 40 3.861 15.086 -6.699 253 HG LEU 40 HG LEU 40 5.378 13.502 -4.567 254 HD11 LEU 40 1HD1 LEU 40 4.064 12.611 -7.147 255 HD12 LEU 40 2HD1 LEU 40 4.111 11.794 -5.577 256 HD13 LEU 40 3HD1 LEU 40 5.555 11.857 -6.603 257 HD21 LEU 40 3HD2 LEU 40 7.154 13.543 -6.247 258 HD22 LEU 40 1HD2 LEU 40 6.604 15.189 -5.913 259 HD23 LEU 40 2HD2 LEU 40 6.087 14.371 -7.406 260 H LEU 41 H LEU 41 1.711 15.902 -4.187 261 HA LEU 41 HA LEU 41 0.681 18.154 -5.608 262 HB3 LEU 41 2HB LEU 41 -1.154 17.976 -3.902 263 HG LEU 41 HG LEU 41 -0.182 15.432 -5.259 264 HD11 LEU 41 1HD1 LEU 41 -2.687 15.666 -3.567 265 HD12 LEU 41 2HD1 LEU 41 -1.225 14.745 -3.132 266 HD13 LEU 41 3HD1 LEU 41 -2.154 14.279 -4.555 267 HD21 LEU 41 3HD2 LEU 41 -2.348 15.635 -6.469 268 HD22 LEU 41 1HD2 LEU 41 -1.284 17.039 -6.740 269 HD23 LEU 41 2HD2 LEU 41 -2.672 17.140 -5.625 270 H GLY 42 H GLY 42 2.330 17.743 -2.492 271 HA2 GLY 42 1HA GLY 42 3.549 19.334 -1.309 272 HA3 GLY 42 2HA GLY 42 2.867 20.630 -2.323 273 H LYS 43 H LYS 43 1.411 17.982 -0.408 274 HA LYS 43 HA LYS 43 -0.531 19.813 0.761 275 HB3 LYS 43 2HB LYS 43 -1.333 17.765 1.943 276 HG3 LYS 43 2HG LYS 43 -2.214 16.509 0.141 277 HD3 LYS 43 2HD LYS 43 -1.803 19.294 -1.016 278 HE3 LYS 43 2HE LYS 43 -3.995 17.214 -1.143 279 HZ1 LYS 43 3HZ LYS 43 -4.995 19.278 -0.522 280 HZ2 LYS 43 1HZ LYS 43 -5.321 19.002 -2.127 281 HZ3 LYS 43 2HZ LYS 43 -4.179 20.095 -1.703 282 H THR 44 H THR 44 -0.763 20.237 2.952 283 HA THR 44 HA THR 44 1.570 19.736 4.722 284 HB THR 44 HB THR 44 1.534 22.178 5.167 285 HG1 THR 44 1HG THR 44 -0.613 22.461 4.252 286 HG21 THR 44 3HG2 THR 44 3.231 21.343 3.547 287 HG22 THR 44 1HG2 THR 44 2.693 22.991 3.150 288 HG23 THR 44 2HG2 THR 44 2.100 21.635 2.208 289 H GLY 45 H GLY 45 0.956 19.710 6.913 290 HA2 GLY 45 1HA GLY 45 -0.423 19.744 8.745 291 HA3 GLY 45 2HA GLY 45 -1.503 20.883 7.910 292 H ASP 46 H ASP 46 -3.442 19.806 8.372 293 HA ASP 46 HA ASP 46 -3.511 16.974 8.387 294 HB3 ASP 46 2HB ASP 46 -6.129 18.414 8.274 295 H ASP 47 H ASP 47 -3.778 19.147 5.824 296 HA ASP 47 HA ASP 47 -5.516 17.922 3.947 297 HB3 ASP 47 2HB ASP 47 -3.160 18.822 2.587 298 H ALA 48 H ALA 48 -2.121 17.257 4.854 299 HA ALA 48 HA ALA 48 -1.605 15.460 2.654 300 HB1 ALA 48 1HB ALA 48 0.205 16.711 3.858 301 HB2 ALA 48 2HB ALA 48 -0.167 15.801 5.337 302 HB3 ALA 48 3HB ALA 48 0.468 14.954 3.917 303 H ARG 49 H ARG 49 -2.652 15.210 5.973 304 HA ARG 49 HA ARG 49 -2.529 12.361 6.261 305 HB3 ARG 49 2HB ARG 49 -4.052 12.704 8.201 306 HG3 ARG 49 2HG ARG 49 -1.928 14.890 7.991 307 HD3 ARG 49 2HD ARG 49 -3.873 14.944 9.764 308 HE ARG 49 HE ARG 49 -2.509 12.588 10.626 309 HH11 ARG 49 1HH1 ARG 49 -4.244 15.443 11.840 310 HH12 ARG 49 2HH1 ARG 49 -4.204 14.877 13.488 311 HH21 ARG 49 1HH2 ARG 49 -2.713 11.818 12.740 312 HH22 ARG 49 2HH2 ARG 49 -3.285 12.834 14.035 313 H ALA 50 H ALA 50 -5.307 14.553 5.605 314 HA ALA 50 HA ALA 50 -7.226 12.584 5.196 315 HB1 ALA 50 1HB ALA 50 -8.454 14.297 3.910 316 HB2 ALA 50 2HB ALA 50 -7.742 14.982 5.385 317 HB3 ALA 50 3HB ALA 50 -6.976 15.287 3.806 318 H TYR 51 H TYR 51 -4.969 13.978 2.748 319 HA TYR 51 HA TYR 51 -5.943 12.520 0.525 320 HB3 TYR 51 2HB TYR 51 -3.073 13.411 1.016 321 HD1 TYR 51 2HD TYR 51 -2.457 11.451 -0.516 322 HD2 TYR 51 1HD TYR 51 -5.035 14.682 -1.744 323 HE1 TYR 51 2HE TYR 51 -2.417 10.594 -2.831 324 HE2 TYR 51 1HE TYR 51 -4.800 13.954 -4.108 325 HH TYR 51 HH TYR 51 -4.378 12.164 -5.396 326 H ALA 52 H ALA 52 -3.177 11.758 2.752 327 HA ALA 52 HA ALA 52 -2.489 9.327 1.481 328 HB1 ALA 52 1HB ALA 52 -1.228 8.863 3.540 329 HB2 ALA 52 2HB ALA 52 -1.002 10.545 3.025 330 HB3 ALA 52 3HB ALA 52 -2.092 10.165 4.380 331 H LEU 53 H LEU 53 -5.055 10.042 3.715 332 HA LEU 53 HA LEU 53 -5.481 7.179 4.344 333 HB3 LEU 53 2HB LEU 53 -6.641 8.135 6.350 334 HG LEU 53 HG LEU 53 -3.731 8.881 5.845 335 HD11 LEU 53 1HD1 LEU 53 -5.423 9.304 8.310 336 HD12 LEU 53 2HD1 LEU 53 -4.554 10.517 7.400 337 HD13 LEU 53 3HD1 LEU 53 -3.620 9.330 8.309 338 HD21 LEU 53 3HD2 LEU 53 -5.095 6.756 7.569 339 HD22 LEU 53 1HD2 LEU 53 -3.338 7.064 7.482 340 HD23 LEU 53 2HD2 LEU 53 -4.197 6.480 6.058 341 H THR 54 H THR 54 -6.651 8.839 1.906 342 HA THR 54 HA THR 54 -9.488 8.029 2.387 343 HB THR 54 HB THR 54 -8.897 10.384 1.688 344 HG1 THR 54 1HG THR 54 -10.802 8.734 0.588 345 HG21 THR 54 3HG2 THR 54 -7.151 9.682 -0.040 346 HG22 THR 54 1HG2 THR 54 -8.279 10.933 -0.511 347 HG23 THR 54 2HG2 THR 54 -8.507 9.267 -1.098 348 H VAL 55 H VAL 55 -6.589 7.092 0.659 349 HA VAL 55 HA VAL 55 -8.092 5.741 -1.460 350 HB VAL 55 HB VAL 55 -5.692 5.136 -2.143 351 HG11 VAL 55 1HG1 VAL 55 -5.420 7.277 -3.231 352 HG12 VAL 55 2HG1 VAL 55 -7.133 6.881 -3.189 353 HG13 VAL 55 3HG1 VAL 55 -6.477 8.078 -2.050 354 HG21 VAL 55 3HG2 VAL 55 -4.717 5.717 0.156 355 HG22 VAL 55 1HG2 VAL 55 -3.864 6.340 -1.257 356 HG23 VAL 55 2HG2 VAL 55 -4.897 7.426 -0.304 357 H VAL 56 H VAL 56 -7.303 4.825 1.692 358 HA VAL 56 HA VAL 56 -6.453 2.088 1.073 359 HB VAL 56 HB VAL 56 -6.939 3.176 3.859 360 HG11 VAL 56 1HG1 VAL 56 -6.261 0.776 3.343 361 HG12 VAL 56 2HG1 VAL 56 -4.725 1.421 2.745 362 HG13 VAL 56 3HG1 VAL 56 -5.193 1.659 4.447 363 HG21 VAL 56 3HG2 VAL 56 -4.595 4.012 3.939 364 HG22 VAL 56 1HG2 VAL 56 -4.552 3.919 2.154 365 HG23 VAL 56 2HG2 VAL 56 -5.671 5.017 2.984 366 H THR 57 H THR 57 -8.803 2.515 -0.015 367 HA THR 57 HA THR 57 -10.665 0.739 1.117 368 HB THR 57 HB THR 57 -11.196 2.493 2.695 369 HG1 THR 57 1HG THR 57 -13.425 2.833 2.084 370 HG21 THR 57 3HG2 THR 57 -10.440 4.503 1.531 371 HG22 THR 57 1HG2 THR 57 -12.110 4.678 2.064 372 HG23 THR 57 2HG2 THR 57 -11.761 4.354 0.357 373 H SER 58 H SER 58 -10.101 3.565 -1.115 374 HA SER 58 HA SER 58 -11.872 2.764 -3.126 375 HB3 SER 58 2HB SER 58 -10.360 4.066 -4.641 376 HG SER 58 HG SER 58 -10.546 6.034 -3.456 377 H ASP 59 H ASP 59 -8.581 1.507 -2.422 378 HA ASP 59 HA ASP 59 -8.926 -0.320 -4.735 379 HB3 ASP 59 2HB ASP 59 -6.415 0.695 -3.417 380 H PHE 60 H PHE 60 -9.493 -2.281 -4.261 381 HA PHE 60 HA PHE 60 -8.744 -3.612 -1.704 382 HB3 PHE 60 2HB PHE 60 -11.524 -3.361 -2.920 383 HD1 PHE 60 2HD PHE 60 -10.122 -3.944 0.534 384 HD2 PHE 60 1HD PHE 60 -12.675 -5.419 -2.623 385 HE1 PHE 60 2HE PHE 60 -10.979 -5.718 2.029 386 HE2 PHE 60 1HE PHE 60 -13.567 -7.140 -1.089 387 HZ PHE 60 HZ PHE 60 -12.686 -7.337 1.223 388 H ASP 61 H ASP 61 -9.651 -3.866 -5.119 389 HA ASP 61 HA ASP 61 -8.911 -6.745 -5.249 390 HB3 ASP 61 2HB ASP 61 -10.759 -6.882 -7.032 391 H GLU 62 H GLU 62 -8.884 -7.059 -8.051 392 HA GLU 62 HA GLU 62 -7.224 -4.717 -8.937 393 HB3 GLU 62 2HB GLU 62 -6.486 -7.465 -9.858 394 HG3 GLU 62 2HG GLU 62 -5.123 -4.791 -9.302 395 HA PRO 63 HA PRO 63 -10.733 -5.265 -11.798 396 HB3 PRO 63 2HB PRO 63 -11.914 -3.816 -10.423 397 HG3 PRO 63 2HG PRO 63 -10.883 -1.915 -9.385 398 HD3 PRO 63 2HD PRO 63 -9.722 -3.776 -8.645 399 H GLY 64 H GLY 64 -9.401 -5.782 -13.552 400 HA2 GLY 64 1HA GLY 64 -8.577 -5.428 -15.676 401 HA3 GLY 64 2HA GLY 64 -8.754 -3.678 -15.491 402 H ASP 65 H ASP 65 -6.520 -3.860 -16.523 403 HA ASP 65 HA ASP 65 -4.340 -5.071 -15.085 404 HB3 ASP 65 2HB ASP 65 -2.911 -3.661 -16.658 405 H GLU 66 H GLU 66 -5.511 -1.727 -15.413 406 HA GLU 66 HA GLU 66 -3.447 -0.677 -13.528 407 HB3 GLU 66 2HB GLU 66 -3.058 1.041 -15.415 408 HG3 GLU 66 2HG GLU 66 -2.047 -1.781 -15.537 409 H ASP 67 H ASP 67 -5.241 -0.083 -12.065 410 HA ASP 67 HA ASP 67 -6.783 2.279 -13.076 411 HB3 ASP 67 2HB ASP 67 -7.839 -0.115 -12.134 412 H VAL 68 H VAL 68 -5.075 0.887 -10.201 413 HA VAL 68 HA VAL 68 -5.175 3.273 -8.661 414 HB VAL 68 HB VAL 68 -3.351 0.858 -8.694 415 HG11 VAL 68 1HG1 VAL 68 -2.564 1.569 -6.419 416 HG12 VAL 68 2HG1 VAL 68 -1.933 2.559 -7.730 417 HG13 VAL 68 3HG1 VAL 68 -3.267 3.169 -6.718 418 HG21 VAL 68 3HG2 VAL 68 -5.718 0.565 -7.966 419 HG22 VAL 68 1HG2 VAL 68 -4.572 0.299 -6.652 420 HG23 VAL 68 2HG2 VAL 68 -5.480 1.829 -6.746 421 H PHE 69 H PHE 69 -3.105 2.314 -11.353 422 HA PHE 69 HA PHE 69 -1.255 4.483 -11.368 423 HB3 PHE 69 2HB PHE 69 -2.683 2.878 -13.534 424 HD1 PHE 69 2HD PHE 69 0.469 4.933 -13.283 425 HD2 PHE 69 1HD PHE 69 -3.124 4.090 -15.528 426 HE1 PHE 69 2HE PHE 69 1.200 6.495 -15.052 427 HE2 PHE 69 1HE PHE 69 -2.346 5.596 -17.320 428 HZ PHE 69 HZ PHE 69 -0.186 6.791 -17.090 429 H ARG 70 H ARG 70 -4.442 4.246 -12.962 430 HA ARG 70 HA ARG 70 -4.499 6.913 -13.822 431 HB3 ARG 70 2HB ARG 70 -6.889 5.039 -13.438 432 HG3 ARG 70 2HG ARG 70 -6.211 7.394 -15.199 433 HD3 ARG 70 2HD ARG 70 -6.595 5.513 -16.708 434 HE ARG 70 HE ARG 70 -9.078 5.123 -15.204 435 HH11 ARG 70 1HH1 ARG 70 -7.396 4.590 -18.325 436 HH12 ARG 70 2HH1 ARG 70 -8.663 3.673 -19.027 437 HH21 ARG 70 1HH2 ARG 70 -10.616 3.563 -16.033 438 HH22 ARG 70 2HH2 ARG 70 -10.558 3.155 -17.725 439 H LYS 71 H LYS 71 -5.601 5.517 -10.806 440 HA LYS 71 HA LYS 71 -7.179 7.656 -9.762 441 HB3 LYS 71 2HB LYS 71 -5.360 5.648 -8.362 442 HG3 LYS 71 2HG LYS 71 -6.587 7.668 -7.004 443 HD3 LYS 71 2HD LYS 71 -8.420 6.538 -5.738 444 HE3 LYS 71 2HE LYS 71 -9.199 6.968 -8.644 445 HZ1 LYS 71 3HZ LYS 71 -10.975 6.123 -7.332 446 HZ2 LYS 71 1HZ LYS 71 -11.276 7.719 -7.539 447 HZ3 LYS 71 2HZ LYS 71 -10.683 7.204 -6.103 448 H LEU 72 H LEU 72 -3.676 6.946 -9.501 449 HA LEU 72 HA LEU 72 -3.096 9.389 -7.974 450 HB3 LEU 72 2HB LEU 72 -0.687 8.541 -8.755 451 HG LEU 72 HG LEU 72 -0.632 6.683 -7.112 452 HD11 LEU 72 1HD1 LEU 72 -0.079 8.921 -6.503 453 HD12 LEU 72 2HD1 LEU 72 -0.894 8.132 -5.145 454 HD13 LEU 72 3HD1 LEU 72 -1.778 9.312 -6.139 455 HD21 LEU 72 3HD2 LEU 72 -2.937 5.840 -7.162 456 HD22 LEU 72 1HD2 LEU 72 -3.524 7.369 -6.491 457 HD23 LEU 72 2HD2 LEU 72 -2.466 6.323 -5.536 458 H ALA 73 H ALA 73 -2.788 8.304 -11.384 459 HA ALA 73 HA ALA 73 -1.406 10.510 -12.383 460 HB1 ALA 73 1HB ALA 73 -3.638 8.996 -13.799 461 HB2 ALA 73 2HB ALA 73 -2.320 9.923 -14.532 462 HB3 ALA 73 3HB ALA 73 -1.960 8.416 -13.666 463 H ALA 74 H ALA 74 -4.909 10.171 -11.766 464 HA ALA 74 HA ALA 74 -5.672 12.722 -12.850 465 HB1 ALA 74 1HB ALA 74 -7.003 11.083 -10.628 466 HB2 ALA 74 2HB ALA 74 -7.795 12.255 -11.702 467 HB3 ALA 74 3HB ALA 74 -7.183 10.719 -12.345 468 H ASP 75 H ASP 75 -3.478 12.576 -10.550 469 HA ASP 75 HA ASP 75 -4.490 14.907 -9.006 470 HB3 ASP 75 2HB ASP 75 -2.884 13.335 -7.247 471 H LEU 76 H LEU 76 -1.617 12.726 -9.492 472 HA LEU 76 HA LEU 76 0.165 14.998 -9.497 473 HB3 LEU 76 2HB LEU 76 1.869 13.368 -10.065 474 HG LEU 76 HG LEU 76 2.135 12.280 -8.182 475 HD11 LEU 76 1HD1 LEU 76 1.527 14.574 -7.493 476 HD12 LEU 76 2HD1 LEU 76 1.144 13.364 -6.255 477 HD13 LEU 76 3HD1 LEU 76 -0.150 14.037 -7.239 478 HD21 LEU 76 3HD2 LEU 76 0.650 10.971 -6.984 479 HD22 LEU 76 1HD2 LEU 76 0.434 10.640 -8.713 480 HD23 LEU 76 2HD2 LEU 76 -0.767 11.641 -7.842 481 H GLU 77 H GLU 77 -2.069 14.706 -11.606 482 HA GLU 77 HA GLU 77 -1.030 14.320 -14.152 483 HB3 GLU 77 2HB GLU 77 -3.042 16.490 -13.444 484 HG3 GLU 77 2HG GLU 77 -2.391 15.708 -15.900 485 H GLY 78 H GLY 78 0.905 15.222 -14.804 486 HA2 GLY 78 1HA GLY 78 2.499 16.779 -15.318 487 HA3 GLY 78 2HA GLY 78 1.337 18.054 -14.974 488 H LYS 79 H LYS 79 2.140 15.689 -12.464 489 HA LYS 79 HA LYS 79 4.240 17.401 -11.227 490 HB3 LYS 79 2HB LYS 79 3.527 16.269 -9.165 491 HG3 LYS 79 2HG LYS 79 0.981 17.526 -9.919 492 HD3 LYS 79 2HD LYS 79 3.450 18.349 -8.333 493 HE3 LYS 79 2HE LYS 79 1.614 19.754 -7.174 494 HZ1 LYS 79 3HZ LYS 79 2.457 20.514 -9.923 495 HZ2 LYS 79 1HZ LYS 79 3.346 20.748 -8.561 496 HZ3 LYS 79 2HZ LYS 79 1.924 21.531 -8.780 497 H ALA 80 H ALA 80 2.964 14.043 -11.785 498 HA ALA 80 HA ALA 80 5.694 12.954 -11.507 499 HB1 ALA 80 1HB ALA 80 3.491 11.597 -9.980 500 HB2 ALA 80 2HB ALA 80 5.220 11.733 -9.611 501 HB3 ALA 80 3HB ALA 80 4.180 13.095 -9.288 502 H ASP 81 H ASP 81 5.825 12.026 -13.472 503 HA ASP 81 HA ASP 81 3.460 11.485 -15.053 504 HB3 ASP 81 2HB ASP 81 5.132 10.786 -16.781 505 H GLU 82 H GLU 82 3.756 9.317 -16.496 506 HA GLU 82 HA GLU 82 3.225 7.069 -14.875 507 HB3 GLU 82 2HB GLU 82 4.293 7.121 -17.746 508 HG3 GLU 82 2HG GLU 82 2.340 5.155 -17.433 509 H GLU 83 H GLU 83 6.154 8.364 -16.116 510 HA GLU 83 HA GLU 83 8.125 6.497 -15.676 511 HB3 GLU 83 2HB GLU 83 8.386 9.457 -15.117 512 HG3 GLU 83 2HG GLU 83 10.128 7.430 -16.600 513 H THR 84 H THR 84 6.187 7.969 -13.213 514 HA THR 84 HA THR 84 7.952 6.664 -11.220 515 HB THR 84 HB THR 84 8.397 8.986 -11.239 516 HG1 THR 84 1HG THR 84 8.428 7.802 -9.277 517 HG21 THR 84 3HG2 THR 84 5.544 9.583 -10.539 518 HG22 THR 84 1HG2 THR 84 6.447 10.059 -12.004 519 HG23 THR 84 2HG2 THR 84 6.933 10.705 -10.442 520 H ILE 85 H ILE 85 4.758 7.891 -11.900 521 HA ILE 85 HA ILE 85 3.351 6.699 -9.750 522 HB ILE 85 HB ILE 85 2.371 6.717 -12.597 523 HG13 ILE 85 2HG1 ILE 85 2.990 9.069 -11.548 524 HG21 ILE 85 1HG2 ILE 85 0.949 5.310 -11.062 525 HG22 ILE 85 2HG2 ILE 85 0.821 6.659 -9.936 526 HG23 ILE 85 3HG2 ILE 85 0.043 6.734 -11.526 527 HD11 ILE 85 3HD1 ILE 85 1.617 8.965 -13.561 528 HD12 ILE 85 1HD1 ILE 85 0.172 8.562 -12.618 529 HD13 ILE 85 2HD1 ILE 85 0.909 10.143 -12.433 530 H ARG 86 H ARG 86 3.932 5.082 -12.953 531 HA ARG 86 HA ARG 86 2.706 2.596 -12.090 532 HB3 ARG 86 2HB ARG 86 4.345 1.814 -14.127 533 HG3 ARG 86 2HG ARG 86 2.447 3.015 -15.659 534 HD3 ARG 86 2HD ARG 86 0.827 1.187 -14.845 535 HE ARG 86 HE ARG 86 3.087 1.007 -16.504 536 HH11 ARG 86 1HH1 ARG 86 0.854 -1.169 -14.745 537 HH12 ARG 86 2HH1 ARG 86 1.017 -2.399 -15.998 538 HH21 ARG 86 1HH2 ARG 86 3.210 -0.608 -18.020 539 HH22 ARG 86 2HH2 ARG 86 2.227 -2.062 -17.840 540 H ALA 87 H ALA 87 5.845 4.010 -11.868 541 HA ALA 87 HA ALA 87 7.298 1.555 -11.226 542 HB1 ALA 87 1HB ALA 87 9.146 2.975 -10.532 543 HB2 ALA 87 2HB ALA 87 8.482 3.562 -12.072 544 HB3 ALA 87 3HB ALA 87 8.109 4.406 -10.549 545 H LYS 88 H LYS 88 6.037 4.206 -9.198 546 HA LYS 88 HA LYS 88 6.535 3.030 -6.655 547 HB3 LYS 88 2HB LYS 88 4.680 4.579 -5.864 548 HG3 LYS 88 2HG LYS 88 5.650 6.717 -7.005 549 HD3 LYS 88 2HD LYS 88 6.246 6.034 -4.674 550 HE3 LYS 88 2HE LYS 88 8.518 4.660 -6.176 551 HZ1 LYS 88 3HZ LYS 88 9.346 5.943 -4.298 552 HZ2 LYS 88 1HZ LYS 88 9.537 4.321 -4.095 553 HZ3 LYS 88 2HZ LYS 88 8.386 5.113 -3.248 554 H MET 89 H MET 89 3.661 2.706 -8.791 555 HA MET 89 HA MET 89 2.237 1.049 -6.956 556 HB3 MET 89 2HB MET 89 2.047 1.439 -9.948 557 HG3 MET 89 2HG MET 89 0.109 -0.002 -8.083 558 HE1 MET 89 3HE MET 89 -1.179 -1.833 -10.422 559 HE2 MET 89 1HE MET 89 -2.094 -1.145 -9.058 560 HE3 MET 89 2HE MET 89 -2.665 -0.918 -10.725 561 H VAL 90 H VAL 90 4.989 0.213 -9.067 562 HA VAL 90 HA VAL 90 4.663 -2.648 -8.497 563 HB VAL 90 HB VAL 90 6.981 -1.066 -9.682 564 HG11 VAL 90 1HG1 VAL 90 6.597 -4.091 -9.377 565 HG12 VAL 90 2HG1 VAL 90 7.858 -3.324 -10.327 566 HG13 VAL 90 3HG1 VAL 90 7.833 -3.122 -8.567 567 HG21 VAL 90 3HG2 VAL 90 4.834 -2.871 -10.912 568 HG22 VAL 90 1HG2 VAL 90 5.165 -1.144 -11.225 569 HG23 VAL 90 2HG2 VAL 90 6.307 -2.350 -11.750 570 H GLU 91 H GLU 91 7.027 -0.079 -7.545 571 HA GLU 91 HA GLU 91 8.560 -1.629 -5.918 572 HB3 GLU 91 2HB GLU 91 7.933 1.324 -5.541 573 HG3 GLU 91 2HG GLU 91 10.496 -0.240 -4.995 574 H LEU 92 H LEU 92 5.397 -0.258 -5.029 575 HA LEU 92 HA LEU 92 5.982 -0.389 -2.182 576 HB3 LEU 92 2HB LEU 92 3.288 0.210 -2.447 577 HG LEU 92 HG LEU 92 5.800 2.004 -2.942 578 HD11 LEU 92 3HD2 LEU 92 4.508 3.957 -2.318 579 HD12 LEU 92 1HD2 LEU 92 3.028 2.970 -2.154 580 HD13 LEU 92 2HD2 LEU 92 3.838 3.142 -3.748 581 HD21 LEU 92 1HD1 LEU 92 5.379 2.707 -0.516 582 HD22 LEU 92 2HD1 LEU 92 5.991 1.069 -0.773 583 HD23 LEU 92 3HD1 LEU 92 4.285 1.308 -0.424 584 H ARG 93 H ARG 93 4.856 -2.362 -4.550 585 HA ARG 93 HA ARG 93 3.112 -4.122 -2.937 586 HB3 ARG 93 2HB ARG 93 4.047 -5.226 -5.458 587 HG3 ARG 93 2HG ARG 93 1.624 -5.118 -4.212 588 HD3 ARG 93 2HD ARG 93 1.562 -2.589 -5.198 589 HE ARG 93 HE ARG 93 1.541 -2.852 -7.538 590 HH11 ARG 93 1HH1 ARG 93 -0.964 -5.175 -6.214 591 HH12 ARG 93 2HH1 ARG 93 -1.747 -5.243 -7.755 592 HH21 ARG 93 1HH2 ARG 93 0.541 -3.548 -9.655 593 HH22 ARG 93 2HH2 ARG 93 -0.956 -4.420 -9.531 594 H ALA 94 H ALA 94 6.377 -4.022 -4.487 595 HA ALA 94 HA ALA 94 7.403 -6.386 -3.354 596 HB1 ALA 94 1HB ALA 94 8.790 -3.877 -4.301 597 HB2 ALA 94 2HB ALA 94 9.617 -5.388 -3.867 598 HB3 ALA 94 3HB ALA 94 8.487 -5.356 -5.228 599 H THR 95 H THR 95 7.302 -3.121 -2.140 600 HA THR 95 HA THR 95 9.052 -3.458 0.141 601 HB THR 95 HB THR 95 7.029 -1.263 -0.512 602 HG1 THR 95 1HG THR 95 8.691 -1.495 -2.115 603 HG21 THR 95 3HG2 THR 95 9.599 -1.117 1.177 604 HG22 THR 95 1HG2 THR 95 7.992 -1.275 1.888 605 HG23 THR 95 2HG2 THR 95 8.399 0.178 0.953 606 H ALA 96 H ALA 96 5.435 -3.043 -0.203 607 HA ALA 96 HA ALA 96 4.808 -2.837 2.427 608 HB1 ALA 96 1HB ALA 96 3.204 -2.437 0.747 609 HB2 ALA 96 2HB ALA 96 3.263 -4.119 0.139 610 HB3 ALA 96 3HB ALA 96 2.551 -3.747 1.717 611 H ARG 97 H ARG 97 5.327 -5.848 0.631 612 HA ARG 97 HA ARG 97 4.641 -7.812 2.367 613 HB3 ARG 97 2HB ARG 97 6.945 -7.299 0.383 614 HG3 ARG 97 2HG ARG 97 6.008 -10.102 0.719 615 HD3 ARG 97 2HD ARG 97 8.173 -9.210 -0.556 616 HE ARG 97 HE ARG 97 9.792 -8.550 0.919 617 HH11 ARG 97 1HH1 ARG 97 8.390 -11.607 2.139 618 HH12 ARG 97 2HH1 ARG 97 9.667 -11.880 3.264 619 HH21 ARG 97 1HH2 ARG 97 11.433 -8.929 2.303 620 HH22 ARG 97 2HH2 ARG 97 11.423 -10.196 3.491 621 H GLU 98 H GLU 98 7.759 -6.098 2.176 622 HA GLU 98 HA GLU 98 9.013 -7.389 4.403 623 HB3 GLU 98 2HB GLU 98 9.949 -4.677 3.514 624 HG3 GLU 98 2HG GLU 98 11.117 -7.387 4.009 625 H GLN 99 H GLN 99 7.476 -4.190 3.888 626 HA GLN 99 HA GLN 99 7.912 -3.117 6.381 627 HB3 GLN 99 2HB GLN 99 5.560 -1.956 5.813 628 HG3 GLN 99 2HG GLN 99 8.041 -1.298 4.205 629 HE21 GLN 99 1HE2 GLN 99 8.088 1.057 3.598 630 HE22 GLN 99 2HE2 GLN 99 6.687 2.071 3.841 631 H ILE 100 H ILE 100 5.177 -5.391 5.651 632 HA ILE 100 HA ILE 100 3.722 -4.835 8.055 633 HB ILE 100 HB ILE 100 4.092 -7.432 6.561 634 HG13 ILE 100 2HG1 ILE 100 1.782 -7.035 5.657 635 HG21 ILE 100 1HG2 ILE 100 2.049 -6.840 8.721 636 HG22 ILE 100 2HG2 ILE 100 1.933 -8.216 7.602 637 HG23 ILE 100 3HG2 ILE 100 3.289 -8.093 8.720 638 HD11 ILE 100 3HD1 ILE 100 0.893 -5.434 7.302 639 HD12 ILE 100 1HD1 ILE 100 2.058 -4.209 6.735 640 HD13 ILE 100 2HD1 ILE 100 0.800 -4.826 5.648 641 H ILE 101 H ILE 101 6.455 -7.136 7.486 642 HA ILE 101 HA ILE 101 6.372 -8.048 10.230 643 HB ILE 101 HB ILE 101 8.337 -8.497 7.967 644 HG13 ILE 101 2HG1 ILE 101 7.233 -10.686 7.811 645 HG21 ILE 101 1HG2 ILE 101 9.034 -10.482 9.352 646 HG22 ILE 101 2HG2 ILE 101 9.473 -8.904 10.030 647 HG23 ILE 101 3HG2 ILE 101 8.103 -9.787 10.704 648 HD11 ILE 101 3HD1 ILE 101 4.979 -9.617 9.533 649 HD12 ILE 101 1HD1 ILE 101 5.053 -11.142 8.649 650 HD13 ILE 101 2HD1 ILE 101 6.134 -10.883 10.028 651 H SER 102 H SER 102 8.120 -5.653 8.313 652 HA SER 102 HA SER 102 10.039 -5.067 10.392 653 HB3 SER 102 2HB SER 102 9.130 -3.415 8.005 654 HG SER 102 HG SER 102 11.485 -3.533 9.572 655 H GLU 103 H GLU 103 6.691 -4.220 9.991 656 HA GLU 103 HA GLU 103 6.697 -1.884 11.722 657 HB3 GLU 103 2HB GLU 103 4.612 -3.598 10.340 658 HG3 GLU 103 2HG GLU 103 4.088 -1.267 12.189 659 H ILE 104 H ILE 104 6.726 -5.289 12.233 660 HA ILE 104 HA ILE 104 5.359 -5.289 14.793 661 HB ILE 104 HB ILE 104 7.648 -7.153 14.085 662 HG13 ILE 104 2HG1 ILE 104 5.900 -7.100 12.201 663 HG21 ILE 104 1HG2 ILE 104 6.481 -8.700 15.609 664 HG22 ILE 104 2HG2 ILE 104 6.707 -7.163 16.417 665 HG23 ILE 104 3HG2 ILE 104 5.112 -7.567 15.762 666 HD11 ILE 104 3HD1 ILE 104 5.864 -9.489 11.952 667 HD12 ILE 104 1HD1 ILE 104 7.427 -9.019 12.642 668 HD13 ILE 104 2HD1 ILE 104 6.189 -9.735 13.682 Start of MODEL 4 1 H1 MET 1 H MET 1 -1.956 -16.853 25.963 2 HA MET 1 HA MET 1 -1.557 -17.007 23.040 3 HB3 MET 1 2HB MET 1 -0.157 -15.060 23.165 4 HG3 MET 1 2HG MET 1 -2.809 -14.847 23.171 5 HE1 MET 1 3HE MET 1 -3.194 -11.699 24.148 6 HE2 MET 1 1HE MET 1 -4.540 -12.845 23.941 7 HE3 MET 1 2HE MET 1 -4.354 -11.949 25.465 8 H THR 2 H THR 2 -0.812 -19.392 24.156 9 HA THR 2 HA THR 2 2.007 -19.284 23.678 10 HB THR 2 HB THR 2 1.311 -20.575 26.339 11 HG1 THR 2 1HG THR 2 1.851 -17.875 25.843 12 HG21 THR 2 3HG2 THR 2 3.907 -19.450 25.173 13 HG22 THR 2 1HG2 THR 2 3.468 -21.171 25.289 14 HG23 THR 2 2HG2 THR 2 3.732 -20.225 26.761 15 H THR 3 H THR 3 2.603 -21.267 22.774 16 HA THR 3 HA THR 3 2.541 -23.305 21.939 17 HB THR 3 HB THR 3 0.720 -24.021 24.261 18 HG1 THR 3 1HG THR 3 3.532 -24.123 24.298 19 HG21 THR 3 3HG2 THR 3 1.967 -26.169 24.245 20 HG22 THR 3 1HG2 THR 3 2.816 -25.663 22.761 21 HG23 THR 3 2HG2 THR 3 1.058 -25.923 22.748 22 H PHE 4 H PHE 4 -0.619 -21.877 22.369 23 HA PHE 4 HA PHE 4 -1.759 -23.448 20.160 24 HB3 PHE 4 2HB PHE 4 -3.364 -21.682 21.969 25 HD1 PHE 4 1HD PHE 4 -3.104 -25.395 21.927 26 HD2 PHE 4 2HD PHE 4 -5.372 -21.964 20.623 27 HE1 PHE 4 1HE PHE 4 -4.984 -26.882 21.292 28 HE2 PHE 4 2HE PHE 4 -7.257 -23.455 20.000 29 HZ PHE 4 HZ PHE 4 -7.070 -25.913 20.335 30 H ASP 5 H ASP 5 -0.133 -20.614 20.537 31 HA ASP 5 HA ASP 5 -2.025 -18.666 19.445 32 HB3 ASP 5 2HB ASP 5 0.950 -18.273 19.930 33 H ASP 6 H ASP 6 0.302 -20.846 18.285 34 HA ASP 6 HA ASP 6 1.498 -21.218 16.461 35 HB3 ASP 6 2HB ASP 6 -0.723 -20.562 14.601 36 H ARG 7 H ARG 7 2.716 -19.107 17.148 37 HA ARG 7 HA ARG 7 2.361 -16.886 15.326 38 HB3 ARG 7 2HB ARG 7 4.442 -16.008 16.307 39 HG3 ARG 7 2HG ARG 7 3.047 -17.067 18.749 40 HD3 ARG 7 2HD ARG 7 2.606 -14.480 18.869 41 HE ARG 7 HE ARG 7 5.039 -15.854 19.645 42 HH11 ARG 7 1HH1 ARG 7 3.677 -12.521 19.346 43 HH12 ARG 7 2HH1 ARG 7 4.538 -11.979 20.750 44 HH21 ARG 7 1HH2 ARG 7 6.170 -15.039 21.361 45 HH22 ARG 7 2HH2 ARG 7 6.151 -13.352 21.746 46 H GLU 8 H GLU 8 3.480 -19.843 14.774 47 HA GLU 8 HA GLU 8 5.503 -19.166 12.757 48 HB3 GLU 8 2HB GLU 8 4.504 -21.951 13.345 49 HG3 GLU 8 2HG GLU 8 7.024 -20.688 12.126 50 H ARG 9 H ARG 9 2.598 -21.419 12.468 51 HA ARG 9 HA ARG 9 2.688 -20.577 9.656 52 HB3 ARG 9 2HB ARG 9 1.224 -22.410 9.182 53 HG3 ARG 9 2HG ARG 9 3.676 -22.909 9.458 54 HD3 ARG 9 2HD ARG 9 2.885 -23.376 12.229 55 HE ARG 9 HE ARG 9 2.516 -25.594 11.987 56 HH11 ARG 9 1HH1 ARG 9 5.778 -24.909 10.693 57 HH12 ARG 9 2HH1 ARG 9 5.888 -26.379 9.772 58 HH21 ARG 9 1HH2 ARG 9 2.861 -27.760 11.005 59 HH22 ARG 9 2HH2 ARG 9 4.374 -28.069 10.203 60 H ALA 10 H ALA 10 1.443 -18.896 11.876 61 HA ALA 10 HA ALA 10 -1.088 -18.439 10.388 62 HB1 ALA 10 1HB ALA 10 -0.681 -17.806 13.321 63 HB2 ALA 10 2HB ALA 10 -2.113 -17.480 12.346 64 HB3 ALA 10 3HB ALA 10 -1.626 -19.159 12.664 65 H HIS 11 H HIS 11 1.907 -17.061 11.766 66 HA HIS 11 HA HIS 11 1.299 -14.555 10.321 67 HB3 HIS 11 2HB HIS 11 2.252 -13.294 12.268 68 HD1 HIS 11 1HD HIS 11 -0.207 -12.115 11.969 69 HD2 HIS 11 2HD HIS 11 -0.104 -15.798 14.013 70 HE1 HIS 11 1HE HIS 11 -2.515 -12.443 12.991 71 H GLU 12 H GLU 12 3.712 -16.875 11.087 72 HA GLU 12 HA GLU 12 5.820 -15.141 9.854 73 HB3 GLU 12 2HB GLU 12 7.105 -17.415 10.570 74 HG3 GLU 12 2HG GLU 12 6.480 -15.195 12.534 75 H ALA 13 H ALA 13 3.956 -18.086 9.296 76 HA ALA 13 HA ALA 13 5.479 -18.506 6.747 77 HB1 ALA 13 1HB ALA 13 4.574 -20.650 6.644 78 HB2 ALA 13 2HB ALA 13 4.806 -20.435 8.379 79 HB3 ALA 13 3HB ALA 13 3.185 -20.246 7.646 80 H LYS 14 H LYS 14 2.274 -17.594 7.987 81 HA LYS 14 HA LYS 14 0.775 -18.176 5.765 82 HB3 LYS 14 2HB LYS 14 0.243 -15.768 7.582 83 HG3 LYS 14 2HG LYS 14 -1.425 -17.599 5.837 84 HD3 LYS 14 2HD LYS 14 -3.401 -16.336 7.029 85 HE3 LYS 14 2HE LYS 14 -3.586 -18.177 8.760 86 HZ1 LYS 14 3HZ LYS 14 -4.429 -18.374 6.497 87 HZ2 LYS 14 1HZ LYS 14 -4.049 -19.814 7.136 88 HZ3 LYS 14 2HZ LYS 14 -3.045 -19.138 6.011 89 H PHE 15 H PHE 15 2.345 -15.011 6.428 90 HA PHE 15 HA PHE 15 1.147 -13.858 4.045 91 HB3 PHE 15 2HB PHE 15 2.372 -11.835 4.787 92 HD1 PHE 15 1HD PHE 15 -0.282 -11.858 4.968 93 HD2 PHE 15 2HD PHE 15 2.411 -12.971 8.143 94 HE1 PHE 15 1HE PHE 15 -2.068 -11.425 6.651 95 HE2 PHE 15 2HE PHE 15 0.637 -12.520 9.808 96 HZ PHE 15 HZ PHE 15 -1.600 -11.765 9.075 97 H ALA 16 H ALA 16 4.314 -15.089 5.102 98 HA ALA 16 HA ALA 16 5.929 -14.454 2.925 99 HB1 ALA 16 1HB ALA 16 6.652 -15.566 5.071 100 HB2 ALA 16 2HB ALA 16 5.949 -17.088 4.478 101 HB3 ALA 16 3HB ALA 16 7.304 -16.336 3.619 102 H HIS 17 H HIS 17 3.626 -17.168 3.245 103 HA HIS 17 HA HIS 17 4.364 -18.325 0.690 104 HB3 HIS 17 2HB HIS 17 2.501 -19.922 1.300 105 HD1 HIS 17 1HD HIS 17 5.614 -20.301 0.995 106 HD2 HIS 17 2HD HIS 17 3.490 -20.430 4.640 107 HE1 HIS 17 1HE HIS 17 7.003 -21.671 2.566 108 H ASP 18 H ASP 18 2.784 -15.565 1.075 109 HA ASP 18 HA ASP 18 1.630 -14.259 -0.275 110 HB3 ASP 18 2HB ASP 18 0.960 -14.999 -2.603 111 H ALA 19 H ALA 19 -0.588 -14.675 -1.947 112 HA ALA 19 HA ALA 19 -2.722 -14.344 -1.824 113 HB1 ALA 19 1HB ALA 19 -4.210 -15.920 -0.739 114 HB2 ALA 19 2HB ALA 19 -2.968 -16.737 -1.686 115 HB3 ALA 19 3HB ALA 19 -2.839 -16.697 0.082 116 H GLU 20 H GLU 20 -2.209 -15.203 1.593 117 HA GLU 20 HA GLU 20 -4.025 -13.293 2.617 118 HB3 GLU 20 2HB GLU 20 -1.530 -14.262 4.042 119 HG3 GLU 20 2HG GLU 20 -3.353 -12.621 5.115 120 H LEU 21 H LEU 21 -0.572 -12.978 1.879 121 HA LEU 21 HA LEU 21 -0.318 -10.342 3.112 122 HB3 LEU 21 2HB LEU 21 1.489 -11.826 1.132 123 HG LEU 21 HG LEU 21 2.285 -9.567 1.249 124 HD11 LEU 21 1HD1 LEU 21 2.859 -8.479 3.462 125 HD12 LEU 21 2HD1 LEU 21 1.902 -9.722 4.265 126 HD13 LEU 21 3HD1 LEU 21 1.137 -8.601 3.128 127 HD21 LEU 21 3HD2 LEU 21 4.486 -9.967 2.338 128 HD22 LEU 21 1HD2 LEU 21 3.938 -11.385 1.435 129 HD23 LEU 21 2HD2 LEU 21 3.825 -11.347 3.191 130 H ASN 22 H ASN 22 -1.231 -11.561 0.005 131 HA ASN 22 HA ASN 22 -0.249 -9.260 -1.529 132 HB3 ASN 22 2HB ASN 22 -1.766 -10.216 -3.343 133 HD21 ASN 22 1HD2 ASN 22 0.328 -12.317 -1.305 134 HD22 ASN 22 2HD2 ASN 22 1.595 -12.530 -2.493 135 H PHE 23 H PHE 23 -3.227 -10.237 0.132 136 HA PHE 23 HA PHE 23 -4.739 -7.923 -0.587 137 HB3 PHE 23 2HB PHE 23 -5.447 -8.801 2.065 138 HD1 PHE 23 1HD PHE 23 -6.998 -7.027 0.840 139 HD2 PHE 23 2HD PHE 23 -6.707 -11.214 -0.205 140 HE1 PHE 23 1HE PHE 23 -9.242 -6.940 -0.199 141 HE2 PHE 23 2HE PHE 23 -8.958 -11.119 -1.201 142 HZ PHE 23 HZ PHE 23 -10.238 -8.979 -1.176 143 H LYS 24 H LYS 24 -3.088 -8.637 2.567 144 HA LYS 24 HA LYS 24 -3.602 -6.191 3.727 145 HB3 LYS 24 2HB LYS 24 -1.683 -6.745 5.247 146 HG3 LYS 24 2HG LYS 24 -2.630 -9.430 5.238 147 HD3 LYS 24 2HD LYS 24 -4.224 -8.572 7.009 148 HE3 LYS 24 2HE LYS 24 -1.592 -7.447 7.782 149 HZ1 LYS 24 3HZ LYS 24 -3.127 -9.742 8.893 150 HZ2 LYS 24 1HZ LYS 24 -3.332 -8.206 9.385 151 HZ3 LYS 24 2HZ LYS 24 -1.916 -8.954 9.639 152 H ALA 25 H ALA 25 -0.713 -7.047 1.797 153 HA ALA 25 HA ALA 25 0.689 -4.636 2.341 154 HB1 ALA 25 1HB ALA 25 0.929 -6.648 0.064 155 HB2 ALA 25 2HB ALA 25 2.131 -5.407 0.461 156 HB3 ALA 25 3HB ALA 25 1.771 -6.688 1.637 157 H GLU 26 H GLU 26 -1.914 -5.283 -0.079 158 HA GLU 26 HA GLU 26 -1.294 -2.918 -1.654 159 HB3 GLU 26 2HB GLU 26 -3.676 -3.104 -2.395 160 HG3 GLU 26 2HG GLU 26 -2.263 -5.723 -2.865 161 H ALA 27 H ALA 27 -3.548 -3.680 1.002 162 HA ALA 27 HA ALA 27 -4.546 -1.028 1.265 163 HB1 ALA 27 1HB ALA 27 -5.727 -3.078 1.985 164 HB2 ALA 27 2HB ALA 27 -4.556 -3.280 3.311 165 HB3 ALA 27 3HB ALA 27 -5.628 -1.858 3.264 166 H ARG 28 H ARG 28 -1.458 -1.707 1.663 167 HA ARG 28 HA ARG 28 -1.129 0.393 3.739 168 HB3 ARG 28 2HB ARG 28 0.509 -2.112 3.453 169 HG3 ARG 28 2HG ARG 28 2.114 -0.389 3.988 170 HD3 ARG 28 2HD ARG 28 0.169 0.530 6.126 171 HE ARG 28 HE ARG 28 3.091 0.859 5.883 172 HH11 ARG 28 1HH1 ARG 28 0.242 1.449 7.838 173 HH12 ARG 28 2HH1 ARG 28 0.994 2.564 8.898 174 HH21 ARG 28 1HH2 ARG 28 4.183 2.224 7.447 175 HH22 ARG 28 2HH2 ARG 28 3.253 3.008 8.668 176 H ARG 29 H ARG 29 0.445 -1.164 0.844 177 HA ARG 29 HA ARG 29 2.209 1.008 0.411 178 HB3 ARG 29 2HB ARG 29 2.499 -1.029 -0.832 179 HG3 ARG 29 2HG ARG 29 -0.146 -1.205 -1.357 180 HD3 ARG 29 2HD ARG 29 0.352 -1.433 -4.103 181 HE ARG 29 HE ARG 29 -1.173 0.850 -3.040 182 HH11 ARG 29 1HH1 ARG 29 -1.310 -2.091 -5.092 183 HH12 ARG 29 2HH1 ARG 29 -2.999 -1.984 -5.212 184 HH21 ARG 29 1HH2 ARG 29 -3.584 0.725 -3.173 185 HH22 ARG 29 2HH2 ARG 29 -4.251 -0.673 -3.952 186 H ASN 30 H ASN 30 -1.221 0.861 -0.192 187 HA ASN 30 HA ASN 30 -1.571 3.117 -1.839 188 HB3 ASN 30 2HB ASN 30 -3.367 1.524 -1.198 189 HD21 ASN 30 1HD2 ASN 30 -5.407 1.605 0.310 190 HD22 ASN 30 2HD2 ASN 30 -5.043 1.100 1.937 191 H ARG 31 H ARG 31 -1.377 3.140 1.748 192 HA ARG 31 HA ARG 31 -1.603 6.009 1.956 193 HB3 ARG 31 2HB ARG 31 -0.662 3.835 3.874 194 HG3 ARG 31 2HG ARG 31 -1.079 6.801 4.385 195 HD3 ARG 31 2HD ARG 31 -1.753 4.471 6.081 196 HE ARG 31 HE ARG 31 -0.302 4.790 7.730 197 HH11 ARG 31 1HH1 ARG 31 -0.651 7.964 6.208 198 HH12 ARG 31 2HH1 ARG 31 0.506 8.759 7.216 199 HH21 ARG 31 1HH2 ARG 31 1.260 5.784 9.062 200 HH22 ARG 31 2HH2 ARG 31 1.771 7.386 8.730 201 H LEU 32 H LEU 32 1.168 3.751 2.040 202 HA LEU 32 HA LEU 32 3.254 5.595 2.465 203 HB3 LEU 32 2HB LEU 32 4.709 3.983 1.370 204 HG LEU 32 HG LEU 32 2.573 2.471 2.907 205 HD11 LEU 32 1HD1 LEU 32 3.961 0.584 2.967 206 HD12 LEU 32 2HD1 LEU 32 5.391 1.477 2.435 207 HD13 LEU 32 3HD1 LEU 32 4.110 1.096 1.292 208 HD21 LEU 32 3HD2 LEU 32 5.290 3.524 3.766 209 HD22 LEU 32 1HD2 LEU 32 4.181 2.535 4.753 210 HD23 LEU 32 2HD2 LEU 32 3.711 4.163 4.244 211 H LEU 33 H LEU 33 1.337 5.072 -0.428 212 HA LEU 33 HA LEU 33 3.174 6.632 -2.120 213 HB3 LEU 33 2HB LEU 33 0.507 5.357 -2.809 214 HG LEU 33 HG LEU 33 1.784 6.734 -4.584 215 HD11 LEU 33 1HD1 LEU 33 4.088 5.890 -3.912 216 HD12 LEU 33 2HD1 LEU 33 3.720 5.565 -5.610 217 HD13 LEU 33 3HD1 LEU 33 3.578 4.262 -4.439 218 HD21 LEU 33 3HD2 LEU 33 1.506 3.759 -5.160 219 HD22 LEU 33 1HD2 LEU 33 1.377 5.105 -6.281 220 HD23 LEU 33 2HD2 LEU 33 0.112 4.880 -5.045 221 H GLY 34 H GLY 34 0.104 6.889 -0.446 222 HA2 GLY 34 1HA GLY 34 -0.965 9.150 -1.858 223 HA3 GLY 34 2HA GLY 34 -1.438 8.604 -0.246 224 H GLU 35 H GLU 35 1.086 8.807 1.064 225 HA GLU 35 HA GLU 35 1.286 11.586 1.676 226 HB3 GLU 35 2HB GLU 35 1.897 10.179 3.388 227 HG3 GLU 35 2HG GLU 35 2.858 8.334 1.456 228 H TRP 36 H TRP 36 3.541 9.565 -0.222 229 HA TRP 36 HA TRP 36 5.217 11.524 -1.227 230 HB3 TRP 36 2HB TRP 36 4.049 9.057 -2.540 231 HD1 TRP 36 HD TRP 36 7.185 11.256 -3.192 232 HE1 TRP 36 1HE TRP 36 7.485 11.526 -5.704 233 HE3 TRP 36 3HE TRP 36 3.082 8.644 -4.779 234 HZ2 TRP 36 2HZ TRP 36 6.184 10.657 -8.091 235 HZ3 TRP 36 3HZ TRP 36 2.574 8.480 -7.214 236 HH2 TRP 36 HH TRP 36 4.149 9.503 -8.877 237 H ALA 37 H ALA 37 2.128 10.480 -2.790 238 HA ALA 37 HA ALA 37 2.268 12.456 -4.824 239 HB1 ALA 37 1HB ALA 37 0.933 10.464 -5.096 240 HB2 ALA 37 2HB ALA 37 -0.054 10.862 -3.681 241 HB3 ALA 37 3HB ALA 37 -0.172 11.856 -5.153 242 H ALA 38 H ALA 38 0.712 12.653 -1.547 243 HA ALA 38 HA ALA 38 -0.540 15.194 -1.905 244 HB1 ALA 38 1HB ALA 38 0.829 14.105 0.592 245 HB2 ALA 38 2HB ALA 38 -0.393 15.379 0.507 246 HB3 ALA 38 3HB ALA 38 -0.822 13.709 0.088 247 H GLY 39 H GLY 39 2.806 14.243 -1.300 248 HA2 GLY 39 1HA GLY 39 4.086 16.734 -0.897 249 HA3 GLY 39 2HA GLY 39 4.766 15.222 -1.473 250 H LEU 40 H LEU 40 2.666 15.390 -3.799 251 HA LEU 40 HA LEU 40 4.306 17.124 -5.588 252 HB3 LEU 40 2HB LEU 40 3.323 15.564 -7.336 253 HG LEU 40 HG LEU 40 4.905 14.046 -5.224 254 HD11 LEU 40 1HD1 LEU 40 5.675 12.840 -7.305 255 HD12 LEU 40 2HD1 LEU 40 4.455 13.731 -8.224 256 HD13 LEU 40 3HD1 LEU 40 3.954 12.611 -6.931 257 HD21 LEU 40 3HD2 LEU 40 6.899 14.665 -6.585 258 HD22 LEU 40 1HD2 LEU 40 6.177 16.056 -5.768 259 HD23 LEU 40 2HD2 LEU 40 5.892 15.788 -7.522 260 H LEU 41 H LEU 41 0.962 16.123 -4.884 261 HA LEU 41 HA LEU 41 -0.433 17.547 -6.836 262 HB3 LEU 41 2HB LEU 41 -2.130 17.792 -4.718 263 HG LEU 41 HG LEU 41 -3.069 15.744 -5.007 264 HD11 LEU 41 1HD1 LEU 41 -3.244 17.243 -6.990 265 HD12 LEU 41 2HD1 LEU 41 -3.502 15.529 -7.327 266 HD13 LEU 41 3HD1 LEU 41 -1.949 16.286 -7.761 267 HD21 LEU 41 3HD2 LEU 41 -1.480 14.177 -4.620 268 HD22 LEU 41 1HD2 LEU 41 -0.487 14.751 -5.966 269 HD23 LEU 41 2HD2 LEU 41 -2.002 13.853 -6.278 270 H GLY 42 H GLY 42 0.868 18.666 -3.854 271 HA2 GLY 42 1HA GLY 42 1.628 20.997 -3.557 272 HA3 GLY 42 2HA GLY 42 0.290 21.530 -4.586 273 H LYS 43 H LYS 43 0.007 19.086 -2.021 274 HA LYS 43 HA LYS 43 -1.898 20.810 -0.599 275 HB3 LYS 43 2HB LYS 43 -2.263 18.905 0.826 276 HG3 LYS 43 2HG LYS 43 -2.891 17.074 -0.547 277 HD3 LYS 43 2HD LYS 43 -3.142 19.523 -2.352 278 HE3 LYS 43 2HE LYS 43 -5.011 17.146 -2.033 279 HZ1 LYS 43 3HZ LYS 43 -5.885 19.156 -3.084 280 HZ2 LYS 43 1HZ LYS 43 -5.782 17.900 -4.162 281 HZ3 LYS 43 2HZ LYS 43 -4.692 19.089 -4.241 282 H THR 44 H THR 44 -1.562 21.185 1.762 283 HA THR 44 HA THR 44 1.119 20.732 2.871 284 HB THR 44 HB THR 44 1.111 23.110 3.774 285 HG1 THR 44 1HG THR 44 -0.864 23.336 1.758 286 HG21 THR 44 3HG2 THR 44 2.610 22.456 1.875 287 HG22 THR 44 1HG2 THR 44 2.148 24.168 1.893 288 HG23 THR 44 2HG2 THR 44 1.365 23.065 0.746 289 H GLY 45 H GLY 45 0.901 20.408 5.177 290 HA2 GLY 45 1HA GLY 45 -0.053 20.478 7.266 291 HA3 GLY 45 2HA GLY 45 -1.246 21.656 6.678 292 H ASP 46 H ASP 46 -3.176 20.687 7.332 293 HA ASP 46 HA ASP 46 -3.360 17.861 7.401 294 HB3 ASP 46 2HB ASP 46 -5.893 18.430 7.840 295 H ASP 47 H ASP 47 -4.182 20.104 4.776 296 HA ASP 47 HA ASP 47 -5.836 18.333 3.269 297 HB3 ASP 47 2HB ASP 47 -4.418 19.579 1.332 298 H ALA 48 H ALA 48 -2.358 18.417 3.878 299 HA ALA 48 HA ALA 48 -1.715 16.527 1.733 300 HB1 ALA 48 1HB ALA 48 0.552 16.687 2.566 301 HB2 ALA 48 2HB ALA 48 -0.112 18.330 2.608 302 HB3 ALA 48 3HB ALA 48 -0.000 17.373 4.106 303 H ARG 49 H ARG 49 -2.685 16.402 5.069 304 HA ARG 49 HA ARG 49 -1.854 13.614 5.489 305 HB3 ARG 49 2HB ARG 49 -3.336 13.877 7.523 306 HG3 ARG 49 2HG ARG 49 -1.279 16.099 7.163 307 HD3 ARG 49 2HD ARG 49 -2.819 16.423 9.085 308 HE ARG 49 HE ARG 49 -2.057 13.665 9.759 309 HH11 ARG 49 1HH1 ARG 49 -3.675 16.643 10.921 310 HH12 ARG 49 2HH1 ARG 49 -4.010 15.954 12.477 311 HH21 ARG 49 1HH2 ARG 49 -2.667 12.787 11.763 312 HH22 ARG 49 2HH2 ARG 49 -3.600 13.712 12.900 313 H ALA 50 H ALA 50 -4.952 15.416 4.984 314 HA ALA 50 HA ALA 50 -6.665 13.259 4.837 315 HB1 ALA 50 1HB ALA 50 -8.146 14.770 3.539 316 HB2 ALA 50 2HB ALA 50 -7.402 15.578 4.933 317 HB3 ALA 50 3HB ALA 50 -6.778 15.881 3.295 318 H TYR 51 H TYR 51 -4.781 14.674 2.068 319 HA TYR 51 HA TYR 51 -5.818 12.928 0.111 320 HB3 TYR 51 2HB TYR 51 -3.051 14.162 0.280 321 HD1 TYR 51 1HD TYR 51 -2.254 12.047 -0.889 322 HD2 TYR 51 2HD TYR 51 -5.254 14.611 -2.595 323 HE1 TYR 51 1HE TYR 51 -2.082 10.814 -3.014 324 HE2 TYR 51 2HE TYR 51 -4.994 13.480 -4.787 325 HH TYR 51 HH TYR 51 -4.166 11.576 -5.820 326 H ALA 52 H ALA 52 -2.938 12.448 2.258 327 HA ALA 52 HA ALA 52 -2.337 9.838 1.264 328 HB1 ALA 52 1HB ALA 52 -0.758 11.362 2.497 329 HB2 ALA 52 2HB ALA 52 -1.650 11.011 3.989 330 HB3 ALA 52 3HB ALA 52 -0.800 9.703 3.128 331 H LEU 53 H LEU 53 -4.893 10.880 3.278 332 HA LEU 53 HA LEU 53 -5.283 8.202 4.521 333 HB3 LEU 53 2HB LEU 53 -6.265 9.435 6.409 334 HG LEU 53 HG LEU 53 -3.432 10.329 5.741 335 HD11 LEU 53 1HD1 LEU 53 -3.240 11.013 8.071 336 HD12 LEU 53 2HD1 LEU 53 -4.934 10.554 8.374 337 HD13 LEU 53 3HD1 LEU 53 -4.559 11.909 7.302 338 HD21 LEU 53 3HD2 LEU 53 -3.667 7.910 6.066 339 HD22 LEU 53 1HD2 LEU 53 -4.513 8.185 7.605 340 HD23 LEU 53 2HD2 LEU 53 -2.810 8.649 7.433 341 H THR 54 H THR 54 -6.447 9.454 1.921 342 HA THR 54 HA THR 54 -9.243 8.606 2.569 343 HB THR 54 HB THR 54 -8.961 10.974 1.825 344 HG1 THR 54 1HG THR 54 -10.829 10.755 1.074 345 HG21 THR 54 3HG2 THR 54 -7.899 9.703 -0.722 346 HG22 THR 54 1HG2 THR 54 -7.195 10.987 0.271 347 HG23 THR 54 2HG2 THR 54 -8.663 11.289 -0.660 348 H VAL 55 H VAL 55 -6.402 7.493 1.267 349 HA VAL 55 HA VAL 55 -7.645 5.997 -0.950 350 HB VAL 55 HB VAL 55 -5.801 7.555 -1.303 351 HG11 VAL 55 1HG1 VAL 55 -3.491 6.967 -0.706 352 HG12 VAL 55 2HG1 VAL 55 -4.466 7.267 0.732 353 HG13 VAL 55 3HG1 VAL 55 -4.074 5.596 0.261 354 HG21 VAL 55 3HG2 VAL 55 -6.297 5.585 -2.763 355 HG22 VAL 55 1HG2 VAL 55 -4.640 6.218 -2.884 356 HG23 VAL 55 2HG2 VAL 55 -4.967 4.736 -1.953 357 H VAL 56 H VAL 56 -7.721 5.415 1.996 358 HA VAL 56 HA VAL 56 -6.765 2.592 1.960 359 HB VAL 56 HB VAL 56 -6.957 4.109 4.559 360 HG11 VAL 56 1HG1 VAL 56 -5.456 2.449 5.332 361 HG12 VAL 56 2HG1 VAL 56 -6.714 1.615 4.463 362 HG13 VAL 56 3HG1 VAL 56 -5.134 1.845 3.696 363 HG21 VAL 56 3HG2 VAL 56 -4.511 4.203 2.753 364 HG22 VAL 56 1HG2 VAL 56 -5.456 5.588 3.368 365 HG23 VAL 56 2HG2 VAL 56 -4.526 4.605 4.490 366 H THR 57 H THR 57 -8.101 1.079 2.697 367 HA THR 57 HA THR 57 -9.888 -0.021 2.765 368 HB THR 57 HB THR 57 -10.021 0.408 5.044 369 HG1 THR 57 1HG THR 57 -11.952 -0.367 5.210 370 HG21 THR 57 3HG2 THR 57 -10.260 2.823 5.314 371 HG22 THR 57 1HG2 THR 57 -11.577 1.957 6.101 372 HG23 THR 57 2HG2 THR 57 -11.876 2.769 4.561 373 H SER 58 H SER 58 -11.385 3.286 2.645 374 HA SER 58 HA SER 58 -13.080 4.056 1.451 375 HB3 SER 58 2HB SER 58 -13.111 3.813 -0.922 376 HG SER 58 HG SER 58 -11.367 4.970 0.125 377 H ASP 59 H ASP 59 -12.934 0.776 0.107 378 HA ASP 59 HA ASP 59 -14.416 -0.886 -0.155 379 HB3 ASP 59 2HB ASP 59 -15.480 0.051 2.507 380 H PHE 60 H PHE 60 -15.383 -0.358 -1.992 381 HA PHE 60 HA PHE 60 -17.909 1.066 -2.026 382 HB3 PHE 60 2HB PHE 60 -16.208 2.923 -1.822 383 HD1 PHE 60 1HD PHE 60 -13.828 1.978 -2.291 384 HD2 PHE 60 2HD PHE 60 -16.535 3.170 -5.426 385 HE1 PHE 60 1HE PHE 60 -11.926 2.115 -3.884 386 HE2 PHE 60 2HE PHE 60 -14.643 3.317 -7.005 387 HZ PHE 60 HZ PHE 60 -12.329 2.776 -6.248 388 H ASP 61 H ASP 61 -15.247 -0.554 -3.817 389 HA ASP 61 HA ASP 61 -17.069 -1.635 -5.782 390 HB3 ASP 61 2HB ASP 61 -14.830 0.149 -6.799 391 H GLU 62 H GLU 62 -15.292 -2.670 -7.563 392 HA GLU 62 HA GLU 62 -13.296 -4.190 -5.986 393 HB3 GLU 62 2HB GLU 62 -15.193 -5.581 -5.989 394 HG3 GLU 62 2HG GLU 62 -15.616 -4.907 -8.920 395 HA PRO 63 HA PRO 63 -11.562 -2.716 -10.056 396 HB3 PRO 63 2HB PRO 63 -11.372 -0.474 -9.457 397 HG3 PRO 63 2HG PRO 63 -11.057 0.173 -7.209 398 HD3 PRO 63 2HD PRO 63 -12.956 -1.150 -7.111 399 H GLY 64 H GLY 64 -9.988 -3.875 -10.880 400 HA2 GLY 64 1HA GLY 64 -8.373 -5.733 -9.512 401 HA3 GLY 64 2HA GLY 64 -8.183 -5.232 -11.198 402 H ASP 65 H ASP 65 -5.978 -5.881 -9.795 403 HA ASP 65 HA ASP 65 -4.993 -4.094 -7.924 404 HB3 ASP 65 2HB ASP 65 -4.415 -6.532 -8.275 405 H GLU 66 H GLU 66 -4.810 -3.686 -11.359 406 HA GLU 66 HA GLU 66 -2.314 -2.120 -11.175 407 HB3 GLU 66 2HB GLU 66 -2.434 -3.888 -12.803 408 HG3 GLU 66 2HG GLU 66 -4.696 -2.277 -14.084 409 H ASP 67 H ASP 67 -5.604 -1.270 -11.036 410 HA ASP 67 HA ASP 67 -5.620 0.981 -12.918 411 HB3 ASP 67 2HB ASP 67 -7.439 0.492 -10.531 412 H VAL 68 H VAL 68 -4.488 0.489 -9.731 413 HA VAL 68 HA VAL 68 -4.503 2.945 -8.508 414 HB VAL 68 HB VAL 68 -3.750 0.726 -7.710 415 HG11 VAL 68 1HG1 VAL 68 -2.257 0.151 -9.602 416 HG12 VAL 68 2HG1 VAL 68 -1.096 1.347 -9.007 417 HG13 VAL 68 3HG1 VAL 68 -1.495 -0.074 -8.013 418 HG21 VAL 68 3HG2 VAL 68 -3.347 2.738 -6.367 419 HG22 VAL 68 1HG2 VAL 68 -2.043 1.555 -6.133 420 HG23 VAL 68 2HG2 VAL 68 -1.773 2.980 -7.162 421 H PHE 69 H PHE 69 -2.166 1.905 -11.088 422 HA PHE 69 HA PHE 69 -0.606 4.313 -10.990 423 HB3 PHE 69 2HB PHE 69 -1.103 2.265 -13.186 424 HD1 PHE 69 1HD PHE 69 -1.449 3.977 -15.005 425 HD2 PHE 69 2HD PHE 69 2.212 3.849 -12.678 426 HE1 PHE 69 1HE PHE 69 -0.393 5.601 -16.542 427 HE2 PHE 69 2HE PHE 69 3.204 5.444 -14.221 428 HZ PHE 69 HZ PHE 69 1.919 6.367 -16.140 429 H ARG 70 H ARG 70 -3.460 3.331 -12.888 430 HA ARG 70 HA ARG 70 -3.633 5.738 -14.466 431 HB3 ARG 70 2HB ARG 70 -6.162 4.739 -14.510 432 HG3 ARG 70 2HG ARG 70 -3.701 3.468 -15.801 433 HD3 ARG 70 2HD ARG 70 -6.672 3.091 -16.274 434 HE ARG 70 HE ARG 70 -5.098 3.351 -18.401 435 HH11 ARG 70 1HH1 ARG 70 -6.599 0.474 -16.960 436 HH12 ARG 70 2HH1 ARG 70 -6.143 -0.600 -18.245 437 HH21 ARG 70 1HH2 ARG 70 -4.841 2.060 -20.284 438 HH22 ARG 70 2HH2 ARG 70 -5.274 0.404 -20.302 439 H LYS 71 H LYS 71 -4.916 4.838 -11.222 440 HA LYS 71 HA LYS 71 -6.454 7.291 -11.024 441 HB3 LYS 71 2HB LYS 71 -6.169 6.797 -8.482 442 HG3 LYS 71 2HG LYS 71 -7.690 4.864 -10.270 443 HD3 LYS 71 2HD LYS 71 -7.950 4.343 -7.872 444 HE3 LYS 71 2HE LYS 71 -8.635 7.311 -7.692 445 HZ1 LYS 71 3HZ LYS 71 -9.495 5.160 -5.851 446 HZ2 LYS 71 1HZ LYS 71 -10.381 6.385 -6.511 447 HZ3 LYS 71 2HZ LYS 71 -9.253 6.693 -5.363 448 H LEU 72 H LEU 72 -3.152 6.405 -9.955 449 HA LEU 72 HA LEU 72 -2.668 8.956 -8.697 450 HB3 LEU 72 2HB LEU 72 -0.165 8.087 -9.286 451 HG LEU 72 HG LEU 72 -0.183 6.582 -7.308 452 HD11 LEU 72 1HD1 LEU 72 0.255 8.960 -7.162 453 HD12 LEU 72 2HD1 LEU 72 -0.521 8.361 -5.685 454 HD13 LEU 72 3HD1 LEU 72 -1.462 9.297 -6.877 455 HD21 LEU 72 3HD2 LEU 72 -2.474 5.702 -7.353 456 HD22 LEU 72 1HD2 LEU 72 -3.125 7.320 -7.005 457 HD23 LEU 72 2HD2 LEU 72 -2.114 6.496 -5.807 458 H ALA 73 H ALA 73 -1.945 7.710 -12.001 459 HA ALA 73 HA ALA 73 -0.633 10.034 -12.951 460 HB1 ALA 73 1HB ALA 73 -0.604 7.890 -14.152 461 HB2 ALA 73 2HB ALA 73 -2.355 8.006 -14.441 462 HB3 ALA 73 3HB ALA 73 -1.238 9.181 -15.188 463 H ALA 74 H ALA 74 -4.146 9.182 -12.914 464 HA ALA 74 HA ALA 74 -5.001 11.577 -14.213 465 HB1 ALA 74 1HB ALA 74 -6.399 9.560 -13.975 466 HB2 ALA 74 2HB ALA 74 -6.500 9.834 -12.214 467 HB3 ALA 74 3HB ALA 74 -7.221 11.006 -13.345 468 H ASP 75 H ASP 75 -3.685 11.208 -11.040 469 HA ASP 75 HA ASP 75 -4.848 13.791 -10.101 470 HB3 ASP 75 2HB ASP 75 -3.228 12.872 -8.074 471 H LEU 76 H LEU 76 -1.901 12.294 -11.308 472 HA LEU 76 HA LEU 76 -0.282 14.635 -10.451 473 HB3 LEU 76 2HB LEU 76 1.582 13.032 -10.519 474 HG LEU 76 HG LEU 76 -0.665 11.938 -8.790 475 HD11 LEU 76 1HD1 LEU 76 1.215 10.387 -9.112 476 HD12 LEU 76 2HD1 LEU 76 1.214 11.040 -7.461 477 HD13 LEU 76 3HD1 LEU 76 2.367 11.663 -8.652 478 HD21 LEU 76 3HD2 LEU 76 0.557 13.271 -7.019 479 HD22 LEU 76 1HD2 LEU 76 -0.420 14.217 -8.144 480 HD23 LEU 76 2HD2 LEU 76 1.359 14.158 -8.328 481 H GLU 77 H GLU 77 -1.724 13.776 -13.254 482 HA GLU 77 HA GLU 77 0.197 13.662 -15.211 483 HB3 GLU 77 2HB GLU 77 -2.440 15.178 -15.255 484 HG3 GLU 77 2HG GLU 77 -0.434 14.800 -17.300 485 H GLY 78 H GLY 78 1.989 14.902 -15.357 486 HA2 GLY 78 1HA GLY 78 3.100 16.897 -16.053 487 HA3 GLY 78 2HA GLY 78 1.763 17.867 -15.447 488 H LYS 79 H LYS 79 2.114 15.875 -12.936 489 HA LYS 79 HA LYS 79 4.325 17.420 -11.671 490 HB3 LYS 79 2HB LYS 79 3.337 16.355 -9.548 491 HG3 LYS 79 2HG LYS 79 3.162 18.754 -10.506 492 HD3 LYS 79 2HD LYS 79 1.094 18.204 -11.937 493 HE3 LYS 79 2HE LYS 79 -0.117 18.405 -9.171 494 HZ1 LYS 79 3HZ LYS 79 -2.211 18.685 -10.543 495 HZ2 LYS 79 1HZ LYS 79 -1.254 19.050 -11.809 496 HZ3 LYS 79 2HZ LYS 79 -1.217 19.998 -10.457 497 H ALA 80 H ALA 80 3.364 14.192 -12.712 498 HA ALA 80 HA ALA 80 6.065 13.209 -12.203 499 HB1 ALA 80 1HB ALA 80 5.258 12.664 -10.050 500 HB2 ALA 80 2HB ALA 80 3.619 12.294 -10.649 501 HB3 ALA 80 3HB ALA 80 4.924 11.182 -10.992 502 H ASP 81 H ASP 81 6.531 12.161 -14.072 503 HA ASP 81 HA ASP 81 4.503 10.899 -15.774 504 HB3 ASP 81 2HB ASP 81 6.689 9.848 -16.794 505 H GLU 82 H GLU 82 5.022 8.581 -16.439 506 HA GLU 82 HA GLU 82 4.828 6.773 -14.345 507 HB3 GLU 82 2HB GLU 82 5.882 6.280 -17.165 508 HG3 GLU 82 2HG GLU 82 4.967 4.452 -14.944 509 H GLU 83 H GLU 83 7.619 8.186 -15.776 510 HA GLU 83 HA GLU 83 9.733 6.580 -14.967 511 HB3 GLU 83 2HB GLU 83 9.563 9.625 -15.156 512 HG3 GLU 83 2HG GLU 83 11.864 7.677 -15.110 513 H THR 84 H THR 84 7.643 8.444 -12.901 514 HA THR 84 HA THR 84 9.395 7.698 -10.600 515 HB THR 84 HB THR 84 9.433 10.073 -11.354 516 HG1 THR 84 1HG THR 84 10.218 10.178 -9.504 517 HG21 THR 84 3HG2 THR 84 7.743 11.619 -10.488 518 HG22 THR 84 1HG2 THR 84 6.699 10.217 -10.140 519 HG23 THR 84 2HG2 THR 84 7.179 10.598 -11.812 520 H ILE 85 H ILE 85 6.117 8.167 -11.785 521 HA ILE 85 HA ILE 85 4.686 7.274 -9.499 522 HB ILE 85 HB ILE 85 4.063 6.724 -12.390 523 HG13 ILE 85 2HG1 ILE 85 4.128 9.195 -11.686 524 HG21 ILE 85 1HG2 ILE 85 2.710 5.218 -10.829 525 HG22 ILE 85 2HG2 ILE 85 2.009 6.692 -10.121 526 HG23 ILE 85 3HG2 ILE 85 1.723 6.287 -11.806 527 HD11 ILE 85 3HD1 ILE 85 2.593 8.494 -13.544 528 HD12 ILE 85 1HD1 ILE 85 1.280 8.348 -12.352 529 HD13 ILE 85 2HD1 ILE 85 2.024 9.909 -12.627 530 H ARG 86 H ARG 86 5.702 5.135 -12.279 531 HA ARG 86 HA ARG 86 4.884 2.706 -10.952 532 HB3 ARG 86 2HB ARG 86 6.937 1.969 -12.684 533 HG3 ARG 86 2HG ARG 86 5.108 2.270 -14.561 534 HD3 ARG 86 2HD ARG 86 4.164 0.226 -12.644 535 HE ARG 86 HE ARG 86 4.410 0.573 -15.493 536 HH11 ARG 86 1HH1 ARG 86 4.103 -1.965 -12.974 537 HH12 ARG 86 2HH1 ARG 86 3.583 -3.141 -14.123 538 HH21 ARG 86 1HH2 ARG 86 3.747 -1.020 -16.931 539 HH22 ARG 86 2HH2 ARG 86 3.366 -2.631 -16.381 540 H ALA 87 H ALA 87 7.743 4.695 -10.894 541 HA ALA 87 HA ALA 87 9.551 2.724 -9.799 542 HB1 ALA 87 1HB ALA 87 9.730 5.749 -9.440 543 HB2 ALA 87 2HB ALA 87 11.030 4.572 -9.265 544 HB3 ALA 87 3HB ALA 87 10.316 4.863 -10.862 545 H LYS 88 H LYS 88 7.814 5.390 -8.150 546 HA LYS 88 HA LYS 88 8.378 4.638 -5.488 547 HB3 LYS 88 2HB LYS 88 6.108 5.847 -5.001 548 HG3 LYS 88 2HG LYS 88 6.942 8.007 -6.273 549 HD3 LYS 88 2HD LYS 88 7.294 7.491 -3.795 550 HE3 LYS 88 2HE LYS 88 9.243 5.763 -4.263 551 HZ1 LYS 88 3HZ LYS 88 11.370 6.753 -4.177 552 HZ2 LYS 88 1HZ LYS 88 10.760 8.290 -4.182 553 HZ3 LYS 88 2HZ LYS 88 10.659 7.324 -5.525 554 H MET 89 H MET 89 5.707 3.592 -7.585 555 HA MET 89 HA MET 89 4.310 2.151 -5.569 556 HB3 MET 89 2HB MET 89 4.428 1.787 -8.577 557 HG3 MET 89 2HG MET 89 2.294 0.929 -6.587 558 HE1 MET 89 3HE MET 89 3.516 0.648 -10.424 559 HE2 MET 89 1HE MET 89 3.053 -0.965 -9.838 560 HE3 MET 89 2HE MET 89 2.070 -0.157 -11.079 561 H VAL 90 H VAL 90 6.978 1.120 -7.784 562 HA VAL 90 HA VAL 90 7.025 -1.606 -6.892 563 HB VAL 90 HB VAL 90 9.053 0.159 -8.303 564 HG11 VAL 90 1HG1 VAL 90 10.343 -1.561 -7.167 565 HG12 VAL 90 2HG1 VAL 90 9.170 -2.808 -7.574 566 HG13 VAL 90 3HG1 VAL 90 10.162 -2.077 -8.861 567 HG21 VAL 90 3HG2 VAL 90 8.410 -1.019 -10.277 568 HG22 VAL 90 1HG2 VAL 90 7.424 -2.192 -9.365 569 HG23 VAL 90 2HG2 VAL 90 6.905 -0.509 -9.527 570 H GLU 91 H GLU 91 8.968 1.312 -5.927 571 HA GLU 91 HA GLU 91 10.574 0.049 -3.958 572 HB3 GLU 91 2HB GLU 91 10.598 2.452 -2.998 573 HG3 GLU 91 2HG GLU 91 11.391 2.344 -5.907 574 H LEU 92 H LEU 92 7.211 0.415 -3.846 575 HA LEU 92 HA LEU 92 7.194 0.172 -0.867 576 HB3 LEU 92 2HB LEU 92 4.845 1.021 -1.094 577 HG LEU 92 HG LEU 92 7.019 2.812 -2.266 578 HD11 LEU 92 1HD1 LEU 92 4.231 3.551 -1.358 579 HD12 LEU 92 2HD1 LEU 92 5.019 3.794 -2.926 580 HD13 LEU 92 3HD1 LEU 92 5.567 4.721 -1.537 581 HD21 LEU 92 3HD2 LEU 92 6.033 2.444 0.556 582 HD22 LEU 92 1HD2 LEU 92 7.052 3.800 0.033 583 HD23 LEU 92 2HD2 LEU 92 7.649 2.151 -0.072 584 H ARG 93 H ARG 93 7.007 -1.680 -3.642 585 HA ARG 93 HA ARG 93 4.532 -3.063 -2.937 586 HB3 ARG 93 2HB ARG 93 6.381 -4.172 -5.052 587 HG3 ARG 93 2HG ARG 93 4.012 -4.938 -4.543 588 HD3 ARG 93 2HD ARG 93 3.064 -2.577 -6.168 589 HE ARG 93 HE ARG 93 1.365 -3.599 -4.065 590 HH11 ARG 93 1HH1 ARG 93 2.294 -4.174 -7.457 591 HH12 ARG 93 2HH1 ARG 93 1.284 -5.593 -7.582 592 HH21 ARG 93 1HH2 ARG 93 -0.276 -5.383 -4.527 593 HH22 ARG 93 2HH2 ARG 93 -0.184 -6.048 -6.088 594 H ALA 94 H ALA 94 7.969 -3.887 -3.092 595 HA ALA 94 HA ALA 94 7.615 -6.492 -1.812 596 HB1 ALA 94 1HB ALA 94 10.248 -5.078 -2.099 597 HB2 ALA 94 2HB ALA 94 9.843 -6.782 -2.342 598 HB3 ALA 94 3HB ALA 94 9.435 -5.581 -3.586 599 H THR 95 H THR 95 8.767 -3.199 -0.908 600 HA THR 95 HA THR 95 9.397 -3.778 1.756 601 HB THR 95 HB THR 95 8.179 -1.162 0.876 602 HG1 THR 95 1HG THR 95 10.860 -2.047 0.430 603 HG21 THR 95 3HG2 THR 95 8.887 -1.344 3.251 604 HG22 THR 95 1HG2 THR 95 9.941 -0.219 2.383 605 HG23 THR 95 2HG2 THR 95 10.509 -1.859 2.748 606 H ALA 96 H ALA 96 6.164 -2.866 0.294 607 HA ALA 96 HA ALA 96 4.786 -2.806 2.747 608 HB1 ALA 96 1HB ALA 96 3.793 -3.635 0.011 609 HB2 ALA 96 2HB ALA 96 2.770 -3.406 1.450 610 HB3 ALA 96 3HB ALA 96 3.672 -2.040 0.818 611 H ARG 97 H ARG 97 5.838 -5.541 0.733 612 HA ARG 97 HA ARG 97 4.288 -7.555 2.078 613 HB3 ARG 97 2HB ARG 97 6.321 -8.977 0.985 614 HG3 ARG 97 2HG ARG 97 3.971 -7.565 -0.277 615 HD3 ARG 97 2HD ARG 97 5.871 -9.437 -1.750 616 HE ARG 97 HE ARG 97 3.990 -10.001 -2.823 617 HH11 ARG 97 1HH1 ARG 97 3.866 -6.498 -2.303 618 HH12 ARG 97 2HH1 ARG 97 2.274 -6.318 -3.002 619 HH21 ARG 97 1HH2 ARG 97 1.870 -9.747 -3.752 620 HH22 ARG 97 2HH2 ARG 97 1.069 -8.233 -3.757 621 H GLU 98 H GLU 98 7.688 -6.353 2.625 622 HA GLU 98 HA GLU 98 8.124 -7.966 4.937 623 HB3 GLU 98 2HB GLU 98 9.610 -5.845 5.431 624 HG3 GLU 98 2HG GLU 98 11.159 -6.363 3.481 625 H GLN 99 H GLN 99 7.027 -4.591 4.623 626 HA GLN 99 HA GLN 99 6.865 -3.775 7.120 627 HB3 GLN 99 2HB GLN 99 4.544 -2.613 6.114 628 HG3 GLN 99 2HG GLN 99 7.339 -1.808 5.299 629 HE21 GLN 99 1HE2 GLN 99 7.542 0.463 4.850 630 HE22 GLN 99 2HE2 GLN 99 6.157 1.417 4.373 631 H ILE 100 H ILE 100 4.228 -5.734 5.709 632 HA ILE 100 HA ILE 100 2.242 -5.220 7.650 633 HB ILE 100 HB ILE 100 2.972 -7.606 5.977 634 HG13 ILE 100 2HG1 ILE 100 0.905 -6.904 4.628 635 HG21 ILE 100 1HG2 ILE 100 0.620 -8.469 6.221 636 HG22 ILE 100 2HG2 ILE 100 1.654 -8.665 7.635 637 HG23 ILE 100 3HG2 ILE 100 0.450 -7.361 7.623 638 HD11 ILE 100 3HD1 ILE 100 0.008 -4.680 4.820 639 HD12 ILE 100 1HD1 ILE 100 -0.228 -5.475 6.385 640 HD13 ILE 100 2HD1 ILE 100 1.065 -4.274 6.163 641 H ILE 101 H ILE 101 4.896 -7.650 7.860 642 HA ILE 101 HA ILE 101 3.993 -8.848 10.275 643 HB ILE 101 HB ILE 101 6.765 -8.529 9.090 644 HG13 ILE 101 2HG1 ILE 101 6.324 -10.945 8.370 645 HG21 ILE 101 1HG2 ILE 101 7.370 -10.517 10.426 646 HG22 ILE 101 2HG2 ILE 101 7.013 -9.087 11.397 647 HG23 ILE 101 3HG2 ILE 101 5.798 -10.392 11.263 648 HD11 ILE 101 3HD1 ILE 101 4.178 -11.667 7.834 649 HD12 ILE 101 1HD1 ILE 101 4.202 -11.385 9.583 650 HD13 ILE 101 2HD1 ILE 101 3.409 -10.215 8.483 651 H SER 102 H SER 102 5.625 -5.931 9.554 652 HA SER 102 HA SER 102 6.701 -5.459 12.256 653 HB3 SER 102 2HB SER 102 6.440 -3.412 10.051 654 HG SER 102 HG SER 102 8.552 -3.973 11.881 655 H GLU 103 H GLU 103 3.597 -5.131 10.784 656 HA GLU 103 HA GLU 103 2.685 -3.087 12.745 657 HB3 GLU 103 2HB GLU 103 0.750 -2.852 11.405 658 HG3 GLU 103 2HG GLU 103 1.289 -3.099 8.934 659 H ILE 104 H ILE 104 2.988 -6.399 12.416 660 HA ILE 104 HA ILE 104 0.567 -7.371 13.741 661 HB ILE 104 HB ILE 104 3.289 -8.679 13.449 662 HG13 ILE 104 2HG1 ILE 104 2.128 -8.270 11.333 663 HG21 ILE 104 1HG2 ILE 104 0.696 -9.959 14.409 664 HG22 ILE 104 2HG2 ILE 104 2.224 -10.814 14.067 665 HG23 ILE 104 3HG2 ILE 104 2.173 -9.674 15.382 666 HD11 ILE 104 3HD1 ILE 104 1.923 -10.417 10.372 667 HD12 ILE 104 1HD1 ILE 104 3.189 -10.571 11.615 668 HD13 ILE 104 2HD1 ILE 104 1.542 -11.171 11.919 Start of MODEL 5 1 H1 MET 1 H MET 1 -2.080 -25.664 26.740 2 HA MET 1 HA MET 1 -2.045 -23.243 26.145 3 HB3 MET 1 2HB MET 1 0.323 -23.113 25.477 4 HG3 MET 1 2HG MET 1 -0.172 -25.402 27.437 5 HE1 MET 1 3HE MET 1 2.209 -26.539 26.747 6 HE2 MET 1 1HE MET 1 2.626 -25.251 25.584 7 HE3 MET 1 2HE MET 1 3.754 -25.675 26.881 8 H THR 2 H THR 2 -1.757 -21.654 24.303 9 HA THR 2 HA THR 2 -1.629 -22.576 21.672 10 HB THR 2 HB THR 2 -4.060 -23.063 22.260 11 HG1 THR 2 1HG THR 2 -3.751 -21.172 20.179 12 HG21 THR 2 3HG2 THR 2 -4.422 -20.050 22.225 13 HG22 THR 2 1HG2 THR 2 -4.536 -21.082 23.671 14 HG23 THR 2 2HG2 THR 2 -5.689 -21.289 22.335 15 H THR 3 H THR 3 -1.695 -20.507 20.322 16 HA THR 3 HA THR 3 -0.735 -18.611 19.820 17 HB THR 3 HB THR 3 -3.038 -17.948 20.459 18 HG1 THR 3 1HG THR 3 -1.234 -15.839 20.792 19 HG21 THR 3 3HG2 THR 3 -3.462 -16.448 22.333 20 HG22 THR 3 1HG2 THR 3 -1.841 -16.724 22.968 21 HG23 THR 3 2HG2 THR 3 -3.017 -18.049 22.899 22 H PHE 4 H PHE 4 0.925 -20.200 21.292 23 HA PHE 4 HA PHE 4 2.257 -18.776 23.329 24 HB3 PHE 4 2HB PHE 4 4.177 -20.323 21.835 25 HD1 PHE 4 1HD PHE 4 1.397 -20.981 24.299 26 HD2 PHE 4 2HD PHE 4 5.660 -20.779 23.643 27 HE1 PHE 4 1HE PHE 4 1.808 -21.518 26.702 28 HE2 PHE 4 2HE PHE 4 6.052 -21.366 26.011 29 HZ PHE 4 HZ PHE 4 4.130 -21.733 27.547 30 H ASP 5 H ASP 5 4.386 -17.848 23.275 31 HA ASP 5 HA ASP 5 4.447 -15.588 21.482 32 HB3 ASP 5 2HB ASP 5 5.060 -15.757 24.005 33 H ASP 6 H ASP 6 6.034 -18.670 21.814 34 HA ASP 6 HA ASP 6 8.047 -18.446 19.885 35 HB3 ASP 6 2HB ASP 6 6.773 -21.083 20.527 36 H ARG 7 H ARG 7 6.074 -17.216 18.642 37 HA ARG 7 HA ARG 7 5.275 -16.904 16.544 38 HB3 ARG 7 2HB ARG 7 7.184 -18.953 15.473 39 HG3 ARG 7 2HG ARG 7 7.023 -15.921 15.173 40 HD3 ARG 7 2HD ARG 7 8.340 -16.353 13.102 41 HE ARG 7 HE ARG 7 9.548 -17.098 15.702 42 HH11 ARG 7 1HH1 ARG 7 10.257 -16.353 12.273 43 HH12 ARG 7 2HH1 ARG 7 11.802 -15.669 12.639 44 HH21 ARG 7 1HH2 ARG 7 11.510 -16.002 16.153 45 HH22 ARG 7 2HH2 ARG 7 12.404 -15.276 14.881 46 H GLU 8 H GLU 8 3.602 -18.474 17.975 47 HA GLU 8 HA GLU 8 2.889 -20.843 16.406 48 HB3 GLU 8 2HB GLU 8 2.153 -19.764 19.107 49 HG3 GLU 8 2HG GLU 8 0.847 -21.988 17.460 50 H ARG 9 H ARG 9 2.014 -20.079 14.536 51 HA ARG 9 HA ARG 9 0.512 -19.256 13.081 52 HB3 ARG 9 2HB ARG 9 -1.865 -19.587 13.627 53 HG3 ARG 9 2HG ARG 9 -1.886 -21.927 14.091 54 HD3 ARG 9 2HD ARG 9 0.822 -21.889 12.795 55 HE ARG 9 HE ARG 9 -1.741 -22.730 11.560 56 HH11 ARG 9 1HH1 ARG 9 1.269 -24.015 13.122 57 HH12 ARG 9 2HH1 ARG 9 1.073 -25.533 12.338 58 HH21 ARG 9 1HH2 ARG 9 -1.951 -24.665 10.717 59 HH22 ARG 9 2HH2 ARG 9 -0.840 -25.991 11.042 60 H ALA 10 H ALA 10 1.829 -17.170 14.567 61 HA ALA 10 HA ALA 10 -0.449 -15.309 15.240 62 HB1 ALA 10 1HB ALA 10 0.562 -16.006 17.300 63 HB2 ALA 10 2HB ALA 10 2.204 -15.723 16.680 64 HB3 ALA 10 3HB ALA 10 1.099 -14.351 16.962 65 H HIS 11 H HIS 11 3.007 -14.761 15.143 66 HA HIS 11 HA HIS 11 2.763 -12.784 12.955 67 HB3 HIS 11 2HB HIS 11 5.026 -12.101 13.813 68 HD1 HIS 11 1HD HIS 11 3.063 -10.142 14.147 69 HD2 HIS 11 2HD HIS 11 3.501 -13.032 17.169 70 HE1 HIS 11 1HE HIS 11 1.626 -9.347 16.114 71 H GLU 12 H GLU 12 4.505 -12.957 11.270 72 HA GLU 12 HA GLU 12 5.344 -14.114 9.590 73 HB3 GLU 12 2HB GLU 12 6.482 -16.413 11.022 74 HG3 GLU 12 2HG GLU 12 7.437 -13.953 9.513 75 H ALA 13 H ALA 13 3.953 -16.896 11.536 76 HA ALA 13 HA ALA 13 3.564 -18.446 9.206 77 HB1 ALA 13 1HB ALA 13 1.858 -19.669 10.535 78 HB2 ALA 13 2HB ALA 13 3.294 -19.345 11.525 79 HB3 ALA 13 3HB ALA 13 1.839 -18.360 11.724 80 H LYS 14 H LYS 14 1.287 -16.245 10.831 81 HA LYS 14 HA LYS 14 -0.984 -16.870 9.326 82 HB3 LYS 14 2HB LYS 14 -0.331 -14.094 10.431 83 HG3 LYS 14 2HG LYS 14 -2.926 -15.711 10.196 84 HD3 LYS 14 2HD LYS 14 -3.879 -13.403 10.624 85 HE3 LYS 14 2HE LYS 14 -3.815 -15.324 12.318 86 HZ1 LYS 14 3HZ LYS 14 -1.712 -15.052 13.361 87 HZ2 LYS 14 1HZ LYS 14 -2.846 -14.401 14.374 88 HZ3 LYS 14 2HZ LYS 14 -1.891 -13.397 13.473 89 H PHE 15 H PHE 15 1.540 -14.410 8.619 90 HA PHE 15 HA PHE 15 0.092 -13.493 6.265 91 HB3 PHE 15 2HB PHE 15 1.978 -11.921 6.048 92 HD1 PHE 15 1HD PHE 15 -0.388 -10.898 6.650 93 HD2 PHE 15 2HD PHE 15 2.473 -12.290 9.620 94 HE1 PHE 15 1HE PHE 15 -1.570 -9.662 8.437 95 HE2 PHE 15 2HE PHE 15 1.188 -11.129 11.382 96 HZ PHE 15 HZ PHE 15 -0.836 -9.805 10.796 97 H ALA 16 H ALA 16 3.047 -15.460 6.947 98 HA ALA 16 HA ALA 16 3.853 -15.744 4.256 99 HB1 ALA 16 1HB ALA 16 4.195 -17.708 6.568 100 HB2 ALA 16 2HB ALA 16 5.134 -17.671 5.061 101 HB3 ALA 16 3HB ALA 16 5.260 -16.329 6.210 102 H HIS 17 H HIS 17 1.310 -17.485 6.066 103 HA HIS 17 HA HIS 17 0.873 -19.383 3.865 104 HB3 HIS 17 2HB HIS 17 -1.071 -20.092 5.372 105 HD1 HIS 17 1HD HIS 17 -0.104 -22.521 5.387 106 HD2 HIS 17 2HD HIS 17 2.488 -19.580 6.960 107 HE1 HIS 17 1HE HIS 17 1.996 -23.732 6.148 108 H ASP 18 H ASP 18 0.341 -16.226 3.789 109 HA ASP 18 HA ASP 18 -0.924 -14.880 2.621 110 HB3 ASP 18 2HB ASP 18 -2.091 -15.835 0.578 111 H ALA 19 H ALA 19 -3.411 -15.066 1.467 112 HA ALA 19 HA ALA 19 -5.475 -14.362 1.839 113 HB1 ALA 19 1HB ALA 19 -6.919 -15.217 3.585 114 HB2 ALA 19 2HB ALA 19 -6.074 -16.545 2.765 115 HB3 ALA 19 3HB ALA 19 -5.559 -16.026 4.386 116 H GLU 20 H GLU 20 -4.209 -14.439 5.190 117 HA GLU 20 HA GLU 20 -5.194 -11.887 5.897 118 HB3 GLU 20 2HB GLU 20 -2.675 -13.253 6.930 119 HG3 GLU 20 2HG GLU 20 -3.341 -10.857 7.732 120 H LEU 21 H LEU 21 -1.991 -12.797 4.588 121 HA LEU 21 HA LEU 21 -0.843 -10.179 4.602 122 HB3 LEU 21 2HB LEU 21 -0.322 -12.650 2.856 123 HG LEU 21 HG LEU 21 0.723 -10.774 1.701 124 HD11 LEU 21 1HD1 LEU 21 2.487 -9.438 2.867 125 HD12 LEU 21 2HD1 LEU 21 1.960 -10.119 4.409 126 HD13 LEU 21 3HD1 LEU 21 0.863 -9.092 3.463 127 HD21 LEU 21 3HD2 LEU 21 2.780 -12.322 3.333 128 HD22 LEU 21 1HD2 LEU 21 3.048 -11.535 1.766 129 HD23 LEU 21 2HD2 LEU 21 1.959 -12.929 1.883 130 H ASN 22 H ASN 22 -2.556 -11.960 2.183 131 HA ASN 22 HA ASN 22 -2.245 -10.272 -0.057 132 HB3 ASN 22 2HB ASN 22 -4.322 -11.248 -0.968 133 HD21 ASN 22 1HD2 ASN 22 -4.191 -13.298 -2.109 134 HD22 ASN 22 2HD2 ASN 22 -2.745 -14.261 -1.881 135 H PHE 23 H PHE 23 -4.514 -10.141 2.621 136 HA PHE 23 HA PHE 23 -6.050 -7.881 1.603 137 HB3 PHE 23 2HB PHE 23 -6.775 -7.988 4.142 138 HD1 PHE 23 1HD PHE 23 -6.600 -11.110 1.931 139 HD2 PHE 23 2HD PHE 23 -9.046 -8.039 3.713 140 HE1 PHE 23 1HE PHE 23 -8.594 -12.139 0.943 141 HE2 PHE 23 2HE PHE 23 -11.024 -9.001 2.509 142 HZ PHE 23 HZ PHE 23 -10.808 -11.069 1.212 143 H LYS 24 H LYS 24 -3.695 -8.260 4.348 144 HA LYS 24 HA LYS 24 -3.831 -5.512 5.078 145 HB3 LYS 24 2HB LYS 24 -1.757 -5.891 6.332 146 HG3 LYS 24 2HG LYS 24 -2.756 -8.500 7.004 147 HD3 LYS 24 2HD LYS 24 -3.292 -5.801 8.313 148 HE3 LYS 24 2HE LYS 24 -3.653 -8.672 9.290 149 HZ1 LYS 24 3HZ LYS 24 -3.847 -6.136 10.815 150 HZ2 LYS 24 1HZ LYS 24 -2.885 -7.419 11.168 151 HZ3 LYS 24 2HZ LYS 24 -4.508 -7.555 11.293 152 H ALA 25 H ALA 25 -1.559 -7.139 2.825 153 HA ALA 25 HA ALA 25 0.207 -4.931 2.584 154 HB1 ALA 25 1HB ALA 25 1.131 -6.192 0.699 155 HB2 ALA 25 2HB ALA 25 0.816 -7.227 2.117 156 HB3 ALA 25 3HB ALA 25 -0.287 -7.272 0.713 157 H GLU 26 H GLU 26 -2.813 -5.645 0.831 158 HA GLU 26 HA GLU 26 -2.364 -3.817 -1.347 159 HB3 GLU 26 2HB GLU 26 -5.030 -3.985 -1.306 160 HG3 GLU 26 2HG GLU 26 -4.885 -6.582 -1.794 161 H ALA 27 H ALA 27 -4.041 -3.536 1.819 162 HA ALA 27 HA ALA 27 -4.808 -0.790 1.508 163 HB1 ALA 27 1HB ALA 27 -4.193 -2.364 4.057 164 HB2 ALA 27 2HB ALA 27 -5.041 -0.802 3.980 165 HB3 ALA 27 3HB ALA 27 -5.778 -2.249 3.257 166 H ARG 28 H ARG 28 -1.924 -2.361 2.882 167 HA ARG 28 HA ARG 28 -0.558 -0.095 3.783 168 HB3 ARG 28 2HB ARG 28 1.244 -2.102 2.671 169 HG3 ARG 28 2HG ARG 28 1.721 -0.686 4.660 170 HD3 ARG 28 2HD ARG 28 -0.412 -2.478 5.859 171 HE ARG 28 HE ARG 28 2.167 -1.795 7.055 172 HH11 ARG 28 1HH1 ARG 28 -1.229 -1.992 8.171 173 HH12 ARG 28 2HH1 ARG 28 -0.691 -2.549 9.727 174 HH21 ARG 28 1HH2 ARG 28 2.667 -2.978 8.930 175 HH22 ARG 28 2HH2 ARG 28 1.443 -3.051 10.172 176 H ARG 29 H ARG 29 -0.177 -1.637 0.485 177 HA ARG 29 HA ARG 29 1.723 0.295 -0.338 178 HB3 ARG 29 2HB ARG 29 1.363 -1.774 -1.570 179 HG3 ARG 29 2HG ARG 29 -1.118 -1.921 -1.575 180 HD3 ARG 29 2HD ARG 29 -0.844 -0.505 -4.263 181 HE ARG 29 HE ARG 29 -2.996 -2.081 -3.036 182 HH11 ARG 29 1HH1 ARG 29 -2.444 0.435 -5.517 183 HH12 ARG 29 2HH1 ARG 29 -3.888 -0.009 -6.385 184 HH21 ARG 29 1HH2 ARG 29 -4.682 -2.795 -4.408 185 HH22 ARG 29 2HH2 ARG 29 -5.110 -1.858 -5.779 186 H ASN 30 H ASN 30 -1.834 0.528 -0.430 187 HA ASN 30 HA ASN 30 -1.879 2.964 -1.939 188 HB3 ASN 30 2HB ASN 30 -4.126 3.325 -0.827 189 HD21 ASN 30 1HD2 ASN 30 -5.582 0.589 -0.466 190 HD22 ASN 30 2HD2 ASN 30 -5.679 0.001 -2.087 191 H ARG 31 H ARG 31 -1.140 2.333 1.506 192 HA ARG 31 HA ARG 31 -1.524 5.034 2.492 193 HB3 ARG 31 2HB ARG 31 0.440 2.939 3.517 194 HG3 ARG 31 2HG ARG 31 -0.791 5.412 4.777 195 HD3 ARG 31 2HD ARG 31 -0.181 2.707 5.933 196 HE ARG 31 HE ARG 31 0.248 5.255 7.451 197 HH11 ARG 31 1HH1 ARG 31 0.768 1.784 7.187 198 HH12 ARG 31 2HH1 ARG 31 1.272 1.552 8.804 199 HH21 ARG 31 1HH2 ARG 31 1.189 4.985 9.596 200 HH22 ARG 31 2HH2 ARG 31 1.431 3.383 10.209 201 H LEU 32 H LEU 32 1.325 3.227 1.377 202 HA LEU 32 HA LEU 32 3.101 5.350 1.790 203 HB3 LEU 32 2HB LEU 32 4.691 4.130 0.445 204 HG LEU 32 HG LEU 32 3.039 1.826 1.454 205 HD11 LEU 32 1HD1 LEU 32 5.244 1.589 0.326 206 HD12 LEU 32 2HD1 LEU 32 5.172 0.931 1.957 207 HD13 LEU 32 3HD1 LEU 32 6.005 2.478 1.660 208 HD21 LEU 32 3HD2 LEU 32 4.559 3.701 3.312 209 HD22 LEU 32 1HD2 LEU 32 3.997 2.064 3.714 210 HD23 LEU 32 2HD2 LEU 32 2.821 3.335 3.363 211 H LEU 33 H LEU 33 1.722 4.272 -1.357 212 HA LEU 33 HA LEU 33 2.556 6.396 -2.936 213 HB3 LEU 33 2HB LEU 33 -0.148 5.074 -3.255 214 HG LEU 33 HG LEU 33 0.773 6.555 -5.144 215 HD11 LEU 33 1HD1 LEU 33 2.664 4.176 -5.498 216 HD12 LEU 33 2HD1 LEU 33 3.194 5.811 -5.007 217 HD13 LEU 33 3HD1 LEU 33 2.490 5.525 -6.616 218 HD21 LEU 33 3HD2 LEU 33 0.286 4.795 -6.875 219 HD22 LEU 33 1HD2 LEU 33 -0.904 4.806 -5.533 220 HD23 LEU 33 2HD2 LEU 33 0.381 3.573 -5.590 221 H GLY 34 H GLY 34 -0.194 6.334 -0.682 222 HA2 GLY 34 1HA GLY 34 -1.487 8.720 -1.702 223 HA3 GLY 34 2HA GLY 34 -1.843 7.863 -0.199 224 H GLU 35 H GLU 35 0.375 7.993 1.317 225 HA GLU 35 HA GLU 35 0.528 10.653 2.295 226 HB3 GLU 35 2HB GLU 35 2.494 9.788 3.596 227 HG3 GLU 35 2HG GLU 35 1.477 7.655 4.587 228 H TRP 36 H TRP 36 2.556 8.813 0.019 229 HA TRP 36 HA TRP 36 4.639 10.644 -0.480 230 HB3 TRP 36 2HB TRP 36 3.230 8.704 -2.325 231 HD1 TRP 36 HD TRP 36 6.595 10.652 -2.187 232 HE1 TRP 36 1HE TRP 36 7.397 11.016 -4.609 233 HE3 TRP 36 3HE TRP 36 2.729 8.365 -4.748 234 HZ2 TRP 36 2HZ TRP 36 6.495 10.393 -7.293 235 HZ3 TRP 36 3HZ TRP 36 2.987 7.933 -7.130 236 HH2 TRP 36 HH TRP 36 4.747 9.183 -8.439 237 H ALA 37 H ALA 37 1.618 10.286 -2.475 238 HA ALA 37 HA ALA 37 2.159 12.599 -3.981 239 HB1 ALA 37 1HB ALA 37 -0.256 12.346 -4.665 240 HB2 ALA 37 2HB ALA 37 0.697 10.847 -4.780 241 HB3 ALA 37 3HB ALA 37 -0.396 11.088 -3.413 242 H ALA 38 H ALA 38 0.237 12.327 -0.950 243 HA ALA 38 HA ALA 38 -0.746 14.990 -0.847 244 HB1 ALA 38 1HB ALA 38 -1.385 13.214 0.715 245 HB2 ALA 38 2HB ALA 38 0.245 13.206 1.409 246 HB3 ALA 38 3HB ALA 38 -0.771 14.645 1.579 247 H GLY 39 H GLY 39 2.500 13.682 -0.062 248 HA2 GLY 39 1HA GLY 39 3.725 16.059 0.945 249 HA3 GLY 39 2HA GLY 39 4.529 14.642 0.288 250 H LEU 40 H LEU 40 3.175 14.913 -2.320 251 HA LEU 40 HA LEU 40 5.087 16.767 -3.538 252 HB3 LEU 40 2HB LEU 40 3.992 15.904 -5.640 253 HG LEU 40 HG LEU 40 4.817 13.783 -3.603 254 HD11 LEU 40 1HD1 LEU 40 3.600 12.681 -5.469 255 HD12 LEU 40 2HD1 LEU 40 5.319 12.488 -5.801 256 HD13 LEU 40 3HD1 LEU 40 4.415 13.715 -6.664 257 HD21 LEU 40 3HD2 LEU 40 6.954 13.832 -4.936 258 HD22 LEU 40 1HD2 LEU 40 6.629 15.369 -4.128 259 HD23 LEU 40 2HD2 LEU 40 6.279 15.186 -5.872 260 H LEU 41 H LEU 41 1.565 16.444 -3.301 261 HA LEU 41 HA LEU 41 0.801 18.839 -4.642 262 HB3 LEU 41 2HB LEU 41 -1.352 18.418 -3.398 263 HG LEU 41 HG LEU 41 0.002 16.102 -4.855 264 HD11 LEU 41 1HD1 LEU 41 -2.833 16.060 -3.782 265 HD12 LEU 41 2HD1 LEU 41 -1.473 15.149 -3.083 266 HD13 LEU 41 3HD1 LEU 41 -1.979 14.815 -4.737 267 HD21 LEU 41 3HD2 LEU 41 -1.981 16.451 -6.396 268 HD22 LEU 41 1HD2 LEU 41 -0.810 17.803 -6.359 269 HD23 LEU 41 2HD2 LEU 41 -2.355 17.904 -5.482 270 H GLY 42 H GLY 42 2.197 18.305 -1.502 271 HA2 GLY 42 1HA GLY 42 2.972 19.817 0.018 272 HA3 GLY 42 2HA GLY 42 2.312 21.152 -0.955 273 H LYS 43 H LYS 43 0.507 18.344 0.296 274 HA LYS 43 HA LYS 43 -1.355 20.207 1.563 275 HB3 LYS 43 2HB LYS 43 -2.595 18.142 2.184 276 HG3 LYS 43 2HG LYS 43 -3.089 17.161 0.048 277 HD3 LYS 43 2HD LYS 43 -2.366 20.059 -0.525 278 HE3 LYS 43 2HE LYS 43 -4.609 18.285 -1.539 279 HZ1 LYS 43 3HZ LYS 43 -5.482 20.460 -1.095 280 HZ2 LYS 43 1HZ LYS 43 -5.330 20.293 -2.716 281 HZ3 LYS 43 2HZ LYS 43 -4.246 21.204 -1.894 282 H THR 44 H THR 44 -1.944 20.035 3.858 283 HA THR 44 HA THR 44 -0.074 18.747 5.700 284 HB THR 44 HB THR 44 0.012 20.958 7.032 285 HG1 THR 44 1HG THR 44 -1.397 22.215 5.835 286 HG21 THR 44 3HG2 THR 44 2.023 21.766 5.984 287 HG22 THR 44 1HG2 THR 44 1.615 20.987 4.447 288 HG23 THR 44 2HG2 THR 44 2.012 19.996 5.879 289 H GLY 45 H GLY 45 -1.200 18.470 7.865 290 HA2 GLY 45 1HA GLY 45 -3.027 18.466 9.251 291 HA3 GLY 45 2HA GLY 45 -3.736 19.787 8.301 292 H ASP 46 H ASP 46 -5.808 18.905 8.036 293 HA ASP 46 HA ASP 46 -6.069 16.056 7.707 294 HB3 ASP 46 2HB ASP 46 -8.531 16.605 7.501 295 H ASP 47 H ASP 47 -5.759 18.660 5.481 296 HA ASP 47 HA ASP 47 -6.962 17.730 3.116 297 HB3 ASP 47 2HB ASP 47 -5.047 18.863 2.054 298 H ALA 48 H ALA 48 -3.794 17.032 4.623 299 HA ALA 48 HA ALA 48 -2.834 15.384 2.445 300 HB1 ALA 48 1HB ALA 48 -1.317 16.692 3.969 301 HB2 ALA 48 2HB ALA 48 -1.860 15.702 5.334 302 HB3 ALA 48 3HB ALA 48 -0.950 14.958 4.005 303 H ARG 49 H ARG 49 -4.280 14.872 5.644 304 HA ARG 49 HA ARG 49 -4.059 12.033 5.661 305 HB3 ARG 49 2HB ARG 49 -6.029 12.104 7.230 306 HG3 ARG 49 2HG ARG 49 -3.784 14.058 7.883 307 HD3 ARG 49 2HD ARG 49 -5.682 14.091 9.458 308 HE ARG 49 HE ARG 49 -6.749 12.077 9.554 309 HH11 ARG 49 1HH1 ARG 49 -3.463 11.648 10.836 310 HH12 ARG 49 2HH1 ARG 49 -3.829 10.059 11.463 311 HH21 ARG 49 1HH2 ARG 49 -7.110 10.037 10.173 312 HH22 ARG 49 2HH2 ARG 49 -5.973 9.126 11.153 313 H ALA 50 H ALA 50 -6.802 14.139 4.649 314 HA ALA 50 HA ALA 50 -8.547 12.115 3.862 315 HB1 ALA 50 1HB ALA 50 -9.180 14.495 3.997 316 HB2 ALA 50 2HB ALA 50 -8.150 14.848 2.581 317 HB3 ALA 50 3HB ALA 50 -9.582 13.816 2.406 318 H TYR 51 H TYR 51 -6.079 13.823 1.815 319 HA TYR 51 HA TYR 51 -6.469 12.378 -0.530 320 HB3 TYR 51 2HB TYR 51 -3.790 13.315 0.526 321 HD1 TYR 51 1HD TYR 51 -2.941 11.312 -0.928 322 HD2 TYR 51 2HD TYR 51 -5.023 14.744 -2.503 323 HE1 TYR 51 1HE TYR 51 -2.456 10.544 -3.210 324 HE2 TYR 51 2HE TYR 51 -4.341 14.110 -4.789 325 HH TYR 51 HH TYR 51 -3.730 12.260 -6.076 326 H ALA 52 H ALA 52 -4.037 11.639 2.070 327 HA ALA 52 HA ALA 52 -3.028 9.321 0.876 328 HB1 ALA 52 1HB ALA 52 -2.000 10.486 2.832 329 HB2 ALA 52 2HB ALA 52 -3.348 9.932 3.857 330 HB3 ALA 52 3HB ALA 52 -2.223 8.751 3.155 331 H LEU 53 H LEU 53 -5.751 9.693 3.117 332 HA LEU 53 HA LEU 53 -6.241 6.835 3.262 333 HB3 LEU 53 2HB LEU 53 -8.185 7.625 4.657 334 HG LEU 53 HG LEU 53 -5.363 8.586 5.288 335 HD11 LEU 53 1HD1 LEU 53 -6.971 10.041 6.447 336 HD12 LEU 53 2HD1 LEU 53 -6.002 9.056 7.540 337 HD13 LEU 53 3HD1 LEU 53 -7.694 8.607 7.220 338 HD21 LEU 53 3HD2 LEU 53 -5.516 6.735 6.984 339 HD22 LEU 53 1HD2 LEU 53 -5.542 6.183 5.297 340 HD23 LEU 53 2HD2 LEU 53 -7.046 6.240 6.246 341 H THR 54 H THR 54 -7.012 9.060 0.788 342 HA THR 54 HA THR 54 -9.751 8.532 0.578 343 HB THR 54 HB THR 54 -8.313 10.443 -0.410 344 HG1 THR 54 1HG THR 54 -10.493 10.306 -0.653 345 HG21 THR 54 3HG2 THR 54 -6.862 8.983 -1.886 346 HG22 THR 54 1HG2 THR 54 -7.591 10.396 -2.629 347 HG23 THR 54 2HG2 THR 54 -8.281 8.773 -2.929 348 H VAL 55 H VAL 55 -7.024 6.740 -0.810 349 HA VAL 55 HA VAL 55 -8.787 5.081 -2.436 350 HB VAL 55 HB VAL 55 -5.818 4.838 -1.805 351 HG11 VAL 55 1HG1 VAL 55 -7.514 3.534 -3.973 352 HG12 VAL 55 2HG1 VAL 55 -5.735 3.566 -3.988 353 HG13 VAL 55 3HG1 VAL 55 -6.594 2.704 -2.714 354 HG21 VAL 55 3HG2 VAL 55 -7.291 6.128 -4.154 355 HG22 VAL 55 1HG2 VAL 55 -6.322 6.971 -2.936 356 HG23 VAL 55 2HG2 VAL 55 -5.536 5.881 -4.065 357 H VAL 56 H VAL 56 -8.347 5.080 0.897 358 HA VAL 56 HA VAL 56 -7.940 2.205 1.247 359 HB VAL 56 HB VAL 56 -8.446 4.315 3.375 360 HG11 VAL 56 1HG1 VAL 56 -7.167 2.731 4.795 361 HG12 VAL 56 2HG1 VAL 56 -8.616 1.952 4.144 362 HG13 VAL 56 3HG1 VAL 56 -7.029 1.605 3.420 363 HG21 VAL 56 3HG2 VAL 56 -6.544 5.052 2.044 364 HG22 VAL 56 1HG2 VAL 56 -5.980 4.412 3.590 365 HG23 VAL 56 2HG2 VAL 56 -5.855 3.418 2.113 366 H THR 57 H THR 57 -9.842 1.917 -0.096 367 HA THR 57 HA THR 57 -12.063 0.837 1.152 368 HB THR 57 HB THR 57 -12.829 2.991 1.836 369 HG1 THR 57 1HG THR 57 -14.743 2.825 1.085 370 HG21 THR 57 3HG2 THR 57 -12.497 3.992 -1.021 371 HG22 THR 57 1HG2 THR 57 -11.566 4.538 0.395 372 HG23 THR 57 2HG2 THR 57 -13.298 4.845 0.309 373 H SER 58 H SER 58 -10.603 2.441 -1.704 374 HA SER 58 HA SER 58 -12.528 1.859 -3.544 375 HB3 SER 58 2HB SER 58 -10.843 2.375 -5.187 376 HG SER 58 HG SER 58 -11.545 4.029 -3.800 377 H ASP 59 H ASP 59 -9.571 -0.130 -2.986 378 HA ASP 59 HA ASP 59 -9.226 -2.382 -3.274 379 HB3 ASP 59 2HB ASP 59 -12.112 -2.411 -2.333 380 H PHE 60 H PHE 60 -9.813 -1.217 -5.717 381 HA PHE 60 HA PHE 60 -11.979 -1.954 -7.175 382 HB3 PHE 60 2HB PHE 60 -10.265 -1.874 -9.195 383 HD1 PHE 60 2HD PHE 60 -9.489 0.907 -6.866 384 HD2 PHE 60 1HD PHE 60 -12.068 -0.525 -10.007 385 HE1 PHE 60 2HE PHE 60 -10.387 3.208 -7.201 386 HE2 PHE 60 1HE PHE 60 -12.981 1.752 -10.308 387 HZ PHE 60 HZ PHE 60 -12.160 3.624 -8.870 388 H ASP 61 H ASP 61 -8.857 -3.701 -7.569 389 HA ASP 61 HA ASP 61 -9.774 -6.306 -7.413 390 HB3 ASP 61 2HB ASP 61 -9.212 -5.533 -10.301 391 H GLU 62 H GLU 62 -7.856 -7.505 -8.969 392 HA GLU 62 HA GLU 62 -5.310 -6.973 -7.891 393 HB3 GLU 62 2HB GLU 62 -4.682 -8.409 -10.044 394 HG3 GLU 62 2HG GLU 62 -6.611 -9.440 -7.918 395 HA PRO 63 HA PRO 63 -3.429 -3.909 -10.583 396 HB3 PRO 63 2HB PRO 63 -1.408 -4.206 -9.526 397 HG3 PRO 63 2HG PRO 63 -0.710 -6.361 -8.790 398 HD3 PRO 63 2HD PRO 63 -2.879 -6.044 -7.912 399 H GLY 64 H GLY 64 -4.949 -4.298 -12.231 400 HA2 GLY 64 1HA GLY 64 -3.551 -4.694 -14.742 401 HA3 GLY 64 2HA GLY 64 -4.900 -5.814 -14.524 402 H ASP 65 H ASP 65 -4.972 -2.671 -13.018 403 HA ASP 65 HA ASP 65 -7.553 -2.041 -14.185 404 HB3 ASP 65 2HB ASP 65 -7.383 -1.898 -11.821 405 H GLU 66 H GLU 66 -4.332 -0.680 -13.977 406 HA GLU 66 HA GLU 66 -3.158 0.936 -14.862 407 HB3 GLU 66 2HB GLU 66 -3.267 -0.310 -16.930 408 HG3 GLU 66 2HG GLU 66 -5.743 1.359 -17.454 409 H ASP 67 H ASP 67 -6.328 1.619 -14.125 410 HA ASP 67 HA ASP 67 -6.472 4.211 -15.459 411 HB3 ASP 67 2HB ASP 67 -8.387 2.418 -14.983 412 H VAL 68 H VAL 68 -5.754 2.920 -12.295 413 HA VAL 68 HA VAL 68 -5.871 5.278 -10.755 414 HB VAL 68 HB VAL 68 -4.207 2.746 -10.552 415 HG11 VAL 68 1HG1 VAL 68 -3.193 4.549 -9.068 416 HG12 VAL 68 2HG1 VAL 68 -4.787 4.877 -8.391 417 HG13 VAL 68 3HG1 VAL 68 -3.994 3.324 -8.085 418 HG21 VAL 68 3HG2 VAL 68 -6.626 2.376 -10.427 419 HG22 VAL 68 1HG2 VAL 68 -5.899 2.119 -8.843 420 HG23 VAL 68 2HG2 VAL 68 -6.754 3.644 -9.184 421 H PHE 69 H PHE 69 -3.430 4.201 -13.111 422 HA PHE 69 HA PHE 69 -1.435 6.162 -12.432 423 HB3 PHE 69 2HB PHE 69 -2.141 4.820 -15.056 424 HD1 PHE 69 2HD PHE 69 -1.678 6.744 -16.524 425 HD2 PHE 69 1HD PHE 69 1.323 5.357 -13.721 426 HE1 PHE 69 2HE PHE 69 0.109 7.720 -17.913 427 HE2 PHE 69 1HE PHE 69 3.081 6.259 -15.158 428 HZ PHE 69 HZ PHE 69 2.478 7.397 -17.318 429 H ARG 70 H ARG 70 -4.280 6.225 -14.693 430 HA ARG 70 HA ARG 70 -3.959 8.951 -15.401 431 HB3 ARG 70 2HB ARG 70 -6.779 8.232 -15.436 432 HG3 ARG 70 2HG ARG 70 -4.504 8.339 -17.403 433 HD3 ARG 70 2HD ARG 70 -7.466 7.943 -18.007 434 HE ARG 70 HE ARG 70 -6.010 9.485 -19.568 435 HH11 ARG 70 1HH1 ARG 70 -7.084 6.152 -20.077 436 HH12 ARG 70 2HH1 ARG 70 -6.767 6.195 -21.781 437 HH21 ARG 70 1HH2 ARG 70 -5.288 9.428 -21.690 438 HH22 ARG 70 2HH2 ARG 70 -5.669 8.060 -22.722 439 H LYS 71 H LYS 71 -5.231 7.728 -12.439 440 HA LYS 71 HA LYS 71 -6.586 10.302 -11.882 441 HB3 LYS 71 2HB LYS 71 -7.445 8.016 -11.127 442 HG3 LYS 71 2HG LYS 71 -6.158 8.778 -8.494 443 HD3 LYS 71 2HD LYS 71 -6.873 6.553 -7.813 444 HE3 LYS 71 2HE LYS 71 -9.050 7.924 -9.459 445 HZ1 LYS 71 3HZ LYS 71 -10.572 6.507 -8.316 446 HZ2 LYS 71 1HZ LYS 71 -9.400 5.794 -7.464 447 HZ3 LYS 71 2HZ LYS 71 -9.489 5.534 -9.089 448 H LEU 72 H LEU 72 -3.778 8.510 -10.564 449 HA LEU 72 HA LEU 72 -2.774 10.659 -8.960 450 HB3 LEU 72 2HB LEU 72 -0.574 9.392 -9.332 451 HG LEU 72 HG LEU 72 -3.016 7.932 -8.275 452 HD11 LEU 72 1HD1 LEU 72 -1.570 6.172 -7.445 453 HD12 LEU 72 2HD1 LEU 72 -0.145 6.921 -8.223 454 HD13 LEU 72 3HD1 LEU 72 -1.459 6.248 -9.209 455 HD21 LEU 72 3HD2 LEU 72 -1.948 8.317 -6.107 456 HD22 LEU 72 1HD2 LEU 72 -2.027 9.853 -6.990 457 HD23 LEU 72 2HD2 LEU 72 -0.499 8.966 -6.896 458 H ALA 73 H ALA 73 -2.331 9.870 -12.413 459 HA ALA 73 HA ALA 73 -0.153 11.604 -12.918 460 HB1 ALA 73 1HB ALA 73 -0.963 9.785 -14.485 461 HB2 ALA 73 2HB ALA 73 -2.400 10.766 -14.811 462 HB3 ALA 73 3HB ALA 73 -0.787 11.346 -15.276 463 H ALA 74 H ALA 74 -3.622 12.264 -12.592 464 HA ALA 74 HA ALA 74 -3.355 14.942 -13.825 465 HB1 ALA 74 1HB ALA 74 -5.602 13.711 -12.177 466 HB2 ALA 74 2HB ALA 74 -5.672 15.245 -13.075 467 HB3 ALA 74 3HB ALA 74 -5.475 13.713 -13.957 468 H ASP 75 H ASP 75 -3.408 13.490 -10.584 469 HA ASP 75 HA ASP 75 -3.500 15.935 -9.068 470 HB3 ASP 75 2HB ASP 75 -2.255 14.287 -7.358 471 H LEU 76 H LEU 76 -0.734 13.734 -9.826 472 HA LEU 76 HA LEU 76 1.180 15.792 -9.102 473 HB3 LEU 76 2HB LEU 76 2.832 14.043 -9.473 474 HG LEU 76 HG LEU 76 2.533 12.630 -7.798 475 HD11 LEU 76 1HD1 LEU 76 0.501 14.756 -7.011 476 HD12 LEU 76 2HD1 LEU 76 2.267 14.945 -6.961 477 HD13 LEU 76 3HD1 LEU 76 1.467 13.737 -5.933 478 HD21 LEU 76 3HD2 LEU 76 0.542 11.603 -8.852 479 HD22 LEU 76 1HD2 LEU 76 -0.453 12.659 -7.844 480 HD23 LEU 76 2HD2 LEU 76 0.670 11.516 -7.055 481 H GLU 77 H GLU 77 -0.514 16.051 -11.717 482 HA GLU 77 HA GLU 77 1.243 15.726 -13.948 483 HB3 GLU 77 2HB GLU 77 -0.746 17.981 -13.551 484 HG3 GLU 77 2HG GLU 77 0.752 17.664 -15.740 485 H GLY 78 H GLY 78 3.310 16.509 -13.905 486 HA2 GLY 78 1HA GLY 78 4.947 18.158 -13.912 487 HA3 GLY 78 2HA GLY 78 3.827 19.280 -13.163 488 H LYS 79 H LYS 79 3.816 16.443 -11.297 489 HA LYS 79 HA LYS 79 6.000 17.492 -9.562 490 HB3 LYS 79 2HB LYS 79 4.885 16.477 -7.642 491 HG3 LYS 79 2HG LYS 79 4.709 18.945 -8.424 492 HD3 LYS 79 2HD LYS 79 1.955 17.843 -8.957 493 HE3 LYS 79 2HE LYS 79 1.821 19.699 -7.272 494 HZ1 LYS 79 3HZ LYS 79 3.619 21.097 -7.862 495 HZ2 LYS 79 1HZ LYS 79 2.253 21.932 -8.264 496 HZ3 LYS 79 2HZ LYS 79 3.155 21.196 -9.437 497 H ALA 80 H ALA 80 4.437 14.455 -10.864 498 HA ALA 80 HA ALA 80 7.018 13.149 -10.351 499 HB1 ALA 80 1HB ALA 80 5.512 12.418 -8.523 500 HB2 ALA 80 2HB ALA 80 4.271 11.967 -9.718 501 HB3 ALA 80 3HB ALA 80 5.831 11.114 -9.678 502 H ASP 81 H ASP 81 7.606 12.289 -12.178 503 HA ASP 81 HA ASP 81 5.918 12.361 -14.594 504 HB3 ASP 81 2HB ASP 81 7.841 11.538 -15.809 505 H GLU 82 H GLU 82 5.666 10.371 -15.936 506 HA GLU 82 HA GLU 82 4.590 8.083 -14.854 507 HB3 GLU 82 2HB GLU 82 6.088 8.745 -17.385 508 HG3 GLU 82 2HG GLU 82 5.046 6.504 -18.273 509 H GLU 83 H GLU 83 8.005 8.725 -15.540 510 HA GLU 83 HA GLU 83 9.047 6.237 -15.129 511 HB3 GLU 83 2HB GLU 83 10.575 8.734 -14.371 512 HG3 GLU 83 2HG GLU 83 11.222 6.295 -16.109 513 H THR 84 H THR 84 7.814 8.304 -12.695 514 HA THR 84 HA THR 84 9.131 6.787 -10.494 515 HB THR 84 HB THR 84 7.979 9.619 -10.635 516 HG1 THR 84 1HG THR 84 10.037 10.270 -10.751 517 HG21 THR 84 3HG2 THR 84 9.571 8.287 -8.418 518 HG22 THR 84 1HG2 THR 84 7.831 8.685 -8.334 519 HG23 THR 84 2HG2 THR 84 9.033 9.983 -8.446 520 H ILE 85 H ILE 85 5.971 8.200 -11.602 521 HA ILE 85 HA ILE 85 4.459 7.175 -9.442 522 HB ILE 85 HB ILE 85 3.577 7.555 -12.293 523 HG13 ILE 85 2HG1 ILE 85 4.662 9.693 -11.206 524 HG21 ILE 85 1HG2 ILE 85 1.444 8.242 -10.550 525 HG22 ILE 85 2HG2 ILE 85 1.667 6.793 -11.490 526 HG23 ILE 85 3HG2 ILE 85 2.158 6.825 -9.791 527 HD11 ILE 85 3HD1 ILE 85 3.147 10.172 -12.994 528 HD12 ILE 85 1HD1 ILE 85 1.720 9.901 -11.963 529 HD13 ILE 85 2HD1 ILE 85 2.764 11.258 -11.645 530 H ARG 86 H ARG 86 4.937 5.698 -12.791 531 HA ARG 86 HA ARG 86 3.396 3.343 -12.146 532 HB3 ARG 86 2HB ARG 86 5.421 2.688 -14.013 533 HG3 ARG 86 2HG ARG 86 3.567 3.319 -15.723 534 HD3 ARG 86 2HD ARG 86 2.186 1.321 -15.105 535 HE ARG 86 HE ARG 86 5.056 1.184 -15.523 536 HH11 ARG 86 1HH1 ARG 86 2.260 -0.886 -14.682 537 HH12 ARG 86 2HH1 ARG 86 2.979 -2.313 -15.335 538 HH21 ARG 86 1HH2 ARG 86 5.929 -0.760 -16.472 539 HH22 ARG 86 2HH2 ARG 86 5.200 -2.260 -16.024 540 H ALA 87 H ALA 87 6.679 4.421 -11.576 541 HA ALA 87 HA ALA 87 7.749 1.825 -10.966 542 HB1 ALA 87 1HB ALA 87 9.605 2.994 -9.841 543 HB2 ALA 87 2HB ALA 87 9.251 3.709 -11.419 544 HB3 ALA 87 3HB ALA 87 8.740 4.525 -9.924 545 H LYS 88 H LYS 88 6.657 4.374 -8.693 546 HA LYS 88 HA LYS 88 6.671 2.789 -6.286 547 HB3 LYS 88 2HB LYS 88 5.078 4.498 -5.465 548 HG3 LYS 88 2HG LYS 88 7.679 5.230 -6.825 549 HD3 LYS 88 2HD LYS 88 5.872 6.988 -5.151 550 HE3 LYS 88 2HE LYS 88 8.036 7.263 -4.138 551 HZ1 LYS 88 3HZ LYS 88 9.897 8.001 -5.675 552 HZ2 LYS 88 1HZ LYS 88 9.090 7.261 -6.894 553 HZ3 LYS 88 2HZ LYS 88 9.605 6.403 -5.600 554 H MET 89 H MET 89 4.113 3.108 -8.776 555 HA MET 89 HA MET 89 2.144 1.568 -7.394 556 HB3 MET 89 2HB MET 89 2.729 2.389 -10.205 557 HG3 MET 89 2HG MET 89 0.417 0.521 -9.561 558 HE1 MET 89 3HE MET 89 -0.893 -0.077 -13.186 559 HE2 MET 89 1HE MET 89 0.216 -1.047 -12.194 560 HE3 MET 89 2HE MET 89 -1.228 -0.310 -11.461 561 H VAL 90 H VAL 90 5.154 0.500 -8.945 562 HA VAL 90 HA VAL 90 4.299 -2.331 -8.968 563 HB VAL 90 HB VAL 90 6.590 -0.788 -10.232 564 HG11 VAL 90 1HG1 VAL 90 7.392 -3.057 -9.759 565 HG12 VAL 90 2HG1 VAL 90 5.888 -3.758 -10.414 566 HG13 VAL 90 3HG1 VAL 90 7.033 -2.925 -11.483 567 HG21 VAL 90 3HG2 VAL 90 4.204 -0.551 -11.224 568 HG22 VAL 90 1HG2 VAL 90 5.487 -1.063 -12.300 569 HG23 VAL 90 2HG2 VAL 90 4.340 -2.260 -11.654 570 H GLU 91 H GLU 91 7.003 -0.236 -7.802 571 HA GLU 91 HA GLU 91 8.400 -2.077 -6.278 572 HB3 GLU 91 2HB GLU 91 7.930 0.890 -5.894 573 HG3 GLU 91 2HG GLU 91 10.272 -0.688 -4.795 574 H LEU 92 H LEU 92 5.544 -0.001 -5.224 575 HA LEU 92 HA LEU 92 5.873 -0.823 -2.536 576 HB3 LEU 92 2HB LEU 92 3.600 0.354 -2.378 577 HG LEU 92 HG LEU 92 5.351 1.641 -1.882 578 HD11 LEU 92 1HD1 LEU 92 7.126 1.069 -3.075 579 HD12 LEU 92 2HD1 LEU 92 6.954 2.834 -3.066 580 HD13 LEU 92 3HD1 LEU 92 6.501 1.910 -4.498 581 HD21 LEU 92 3HD2 LEU 92 4.071 3.238 -4.068 582 HD22 LEU 92 1HD2 LEU 92 4.804 3.948 -2.613 583 HD23 LEU 92 2HD2 LEU 92 3.329 2.961 -2.512 584 H ARG 93 H ARG 93 4.582 -2.261 -5.245 585 HA ARG 93 HA ARG 93 2.370 -3.819 -4.128 586 HB3 ARG 93 2HB ARG 93 3.451 -4.451 -6.815 587 HG3 ARG 93 2HG ARG 93 1.025 -4.695 -6.205 588 HD3 ARG 93 2HD ARG 93 1.262 -1.726 -5.859 589 HE ARG 93 HE ARG 93 -0.250 -1.303 -7.449 590 HH11 ARG 93 1HH1 ARG 93 -1.368 -4.365 -5.858 591 HH12 ARG 93 2HH1 ARG 93 -2.910 -4.271 -6.612 592 HH21 ARG 93 1HH2 ARG 93 -2.311 -1.429 -8.586 593 HH22 ARG 93 2HH2 ARG 93 -3.412 -2.698 -8.218 594 H ALA 94 H ALA 94 5.851 -4.174 -4.736 595 HA ALA 94 HA ALA 94 5.785 -7.074 -4.062 596 HB1 ALA 94 1HB ALA 94 8.240 -6.901 -4.523 597 HB2 ALA 94 2HB ALA 94 7.228 -6.522 -5.924 598 HB3 ALA 94 3HB ALA 94 7.989 -5.207 -5.019 599 H THR 95 H THR 95 6.940 -3.949 -3.006 600 HA THR 95 HA THR 95 8.402 -4.858 -0.712 601 HB THR 95 HB THR 95 7.436 -2.052 -1.536 602 HG1 THR 95 1HG THR 95 9.268 -3.463 -2.719 603 HG21 THR 95 3HG2 THR 95 9.627 -2.839 0.444 604 HG22 THR 95 1HG2 THR 95 8.039 -2.215 0.890 605 HG23 THR 95 2HG2 THR 95 9.131 -1.194 -0.037 606 H ALA 96 H ALA 96 5.082 -3.285 -0.973 607 HA ALA 96 HA ALA 96 4.677 -3.043 1.750 608 HB1 ALA 96 1HB ALA 96 2.655 -3.588 -0.432 609 HB2 ALA 96 2HB ALA 96 2.236 -3.154 1.205 610 HB3 ALA 96 3HB ALA 96 3.152 -1.994 0.224 611 H ARG 97 H ARG 97 4.362 -5.881 -0.203 612 HA ARG 97 HA ARG 97 2.915 -7.665 1.504 613 HB3 ARG 97 2HB ARG 97 4.632 -9.263 0.225 614 HG3 ARG 97 2HG ARG 97 2.890 -7.909 -1.792 615 HD3 ARG 97 2HD ARG 97 2.894 -10.770 -0.755 616 HE ARG 97 HE ARG 97 1.607 -9.686 -3.011 617 HH11 ARG 97 1HH1 ARG 97 3.682 -12.394 -2.034 618 HH12 ARG 97 2HH1 ARG 97 3.356 -13.353 -3.443 619 HH21 ARG 97 1HH2 ARG 97 1.240 -11.056 -5.036 620 HH22 ARG 97 2HH2 ARG 97 1.967 -12.632 -5.000 621 H GLU 98 H GLU 98 6.413 -7.335 1.020 622 HA GLU 98 HA GLU 98 7.225 -8.951 3.169 623 HB3 GLU 98 2HB GLU 98 9.161 -6.938 2.258 624 HG3 GLU 98 2HG GLU 98 8.748 -9.916 1.894 625 H GLN 99 H GLN 99 6.946 -5.421 2.854 626 HA GLN 99 HA GLN 99 7.833 -4.593 5.302 627 HB3 GLN 99 2HB GLN 99 5.815 -2.772 4.708 628 HG3 GLN 99 2HG GLN 99 8.503 -2.799 3.348 629 HE21 GLN 99 1HE2 GLN 99 6.783 -1.389 1.917 630 HE22 GLN 99 2HE2 GLN 99 6.799 0.276 2.393 631 H ILE 100 H ILE 100 4.842 -6.342 4.869 632 HA ILE 100 HA ILE 100 3.345 -5.139 6.976 633 HB ILE 100 HB ILE 100 3.418 -7.964 5.880 634 HG13 ILE 100 2HG1 ILE 100 1.130 -7.398 5.012 635 HG21 ILE 100 1HG2 ILE 100 1.530 -6.945 8.038 636 HG22 ILE 100 2HG2 ILE 100 1.235 -8.389 7.031 637 HG23 ILE 100 3HG2 ILE 100 2.635 -8.341 8.095 638 HD11 ILE 100 3HD1 ILE 100 0.375 -5.119 4.823 639 HD12 ILE 100 1HD1 ILE 100 0.598 -5.450 6.544 640 HD13 ILE 100 2HD1 ILE 100 1.805 -4.507 5.645 641 H ILE 101 H ILE 101 5.477 -8.053 7.183 642 HA ILE 101 HA ILE 101 5.317 -8.021 10.035 643 HB ILE 101 HB ILE 101 7.299 -9.359 8.137 644 HG13 ILE 101 2HG1 ILE 101 5.186 -10.149 7.556 645 HG21 ILE 101 1HG2 ILE 101 8.236 -9.283 10.424 646 HG22 ILE 101 2HG2 ILE 101 6.746 -9.971 11.059 647 HG23 ILE 101 3HG2 ILE 101 7.815 -10.912 9.991 648 HD11 ILE 101 3HD1 ILE 101 4.779 -12.329 8.464 649 HD12 ILE 101 1HD1 ILE 101 6.531 -12.100 8.287 650 HD13 ILE 101 2HD1 ILE 101 5.759 -11.983 9.895 651 H SER 102 H SER 102 7.463 -6.379 7.761 652 HA SER 102 HA SER 102 9.495 -5.685 9.667 653 HB3 SER 102 2HB SER 102 8.841 -5.296 6.857 654 HG SER 102 HG SER 102 10.421 -3.710 6.560 655 H GLU 103 H GLU 103 6.283 -4.531 9.308 656 HA GLU 103 HA GLU 103 6.845 -2.116 10.970 657 HB3 GLU 103 2HB GLU 103 4.755 -2.843 8.893 658 HG3 GLU 103 2HG GLU 103 4.814 -0.374 10.660 659 H ILE 104 H ILE 104 5.509 -5.189 11.038 660 HA ILE 104 HA ILE 104 3.662 -4.962 13.268 661 HB ILE 104 HB ILE 104 5.194 -7.230 11.981 662 HG13 ILE 104 2HG1 ILE 104 3.142 -6.275 10.873 663 HG21 ILE 104 1HG2 ILE 104 4.246 -8.903 13.368 664 HG22 ILE 104 2HG2 ILE 104 5.076 -7.782 14.418 665 HG23 ILE 104 3HG2 ILE 104 3.306 -7.720 14.304 666 HD11 ILE 104 3HD1 ILE 104 2.358 -8.982 12.010 667 HD12 ILE 104 1HD1 ILE 104 1.681 -8.163 10.599 668 HD13 ILE 104 2HD1 ILE 104 3.348 -8.741 10.549 Start of MODEL 6 1 H1 MET 1 H MET 1 5.169 -26.369 25.887 2 HA MET 1 HA MET 1 3.821 -24.986 23.693 3 HB3 MET 1 2HB MET 1 5.967 -23.980 23.074 4 HG3 MET 1 2HG MET 1 4.279 -22.734 24.370 5 HE1 MET 1 3HE MET 1 4.124 -21.438 28.028 6 HE2 MET 1 1HE MET 1 5.070 -20.782 26.665 7 HE3 MET 1 2HE MET 1 3.415 -21.383 26.395 8 H THR 2 H THR 2 7.096 -26.457 23.590 9 HA THR 2 HA THR 2 8.034 -27.878 22.293 10 HB THR 2 HB THR 2 7.308 -29.735 23.334 11 HG1 THR 2 1HG THR 2 7.981 -30.147 21.173 12 HG21 THR 2 3HG2 THR 2 5.226 -30.965 23.031 13 HG22 THR 2 1HG2 THR 2 4.567 -29.673 22.024 14 HG23 THR 2 2HG2 THR 2 4.923 -29.385 23.747 15 H THR 3 H THR 3 4.801 -28.112 20.679 16 HA THR 3 HA THR 3 6.051 -26.786 18.327 17 HB THR 3 HB THR 3 4.360 -29.264 17.982 18 HG1 THR 3 1HG THR 3 6.107 -29.883 19.333 19 HG21 THR 3 3HG2 THR 3 6.652 -28.071 16.349 20 HG22 THR 3 1HG2 THR 3 4.928 -27.917 15.959 21 HG23 THR 3 2HG2 THR 3 5.704 -29.503 15.918 22 H PHE 4 H PHE 4 3.933 -26.184 20.556 23 HA PHE 4 HA PHE 4 1.820 -25.074 18.870 24 HB3 PHE 4 2HB PHE 4 1.050 -26.495 21.418 25 HD1 PHE 4 1HD PHE 4 -0.910 -24.875 21.260 26 HD2 PHE 4 2HD PHE 4 -0.003 -27.742 18.163 27 HE1 PHE 4 1HE PHE 4 -3.212 -24.673 20.400 28 HE2 PHE 4 2HE PHE 4 -2.327 -27.557 17.314 29 HZ PHE 4 HZ PHE 4 -3.942 -26.051 18.438 30 H ASP 5 H ASP 5 1.955 -22.869 19.537 31 HA ASP 5 HA ASP 5 2.789 -22.293 22.332 32 HB3 ASP 5 2HB ASP 5 4.412 -21.427 19.889 33 H ASP 6 H ASP 6 3.012 -20.212 19.483 34 HA ASP 6 HA ASP 6 0.268 -19.636 19.273 35 HB3 ASP 6 2HB ASP 6 2.071 -17.368 20.229 36 H ARG 7 H ARG 7 0.278 -17.759 17.386 37 HA ARG 7 HA ARG 7 0.937 -16.907 15.469 38 HB3 ARG 7 2HB ARG 7 3.780 -17.827 15.539 39 HG3 ARG 7 2HG ARG 7 2.505 -15.090 15.752 40 HD3 ARG 7 2HD ARG 7 5.051 -15.470 16.248 41 HE ARG 7 HE ARG 7 5.098 -16.816 13.859 42 HH11 ARG 7 1HH1 ARG 7 6.549 -13.673 14.657 43 HH12 ARG 7 2HH1 ARG 7 7.930 -13.891 13.668 44 HH21 ARG 7 1HH2 ARG 7 6.594 -16.829 12.142 45 HH22 ARG 7 2HH2 ARG 7 7.940 -15.730 12.139 46 H GLU 8 H GLU 8 0.179 -19.835 15.881 47 HA GLU 8 HA GLU 8 1.459 -21.494 14.028 48 HB3 GLU 8 2HB GLU 8 -0.817 -22.633 13.885 49 HG3 GLU 8 2HG GLU 8 0.857 -23.205 15.681 50 H ARG 9 H ARG 9 -1.593 -19.730 13.401 51 HA ARG 9 HA ARG 9 -1.053 -19.704 10.454 52 HB3 ARG 9 2HB ARG 9 -3.463 -20.744 10.349 53 HG3 ARG 9 2HG ARG 9 -0.898 -22.100 10.866 54 HD3 ARG 9 2HD ARG 9 -3.151 -23.248 12.149 55 HE ARG 9 HE ARG 9 -2.272 -25.159 10.123 56 HH11 ARG 9 1HH1 ARG 9 -5.028 -23.120 11.207 57 HH12 ARG 9 2HH1 ARG 9 -6.022 -23.580 9.864 58 HH21 ARG 9 1HH2 ARG 9 -3.729 -25.900 8.509 59 HH22 ARG 9 2HH2 ARG 9 -5.327 -25.218 8.409 60 H ALA 10 H ALA 10 -1.525 -17.443 12.651 61 HA ALA 10 HA ALA 10 -4.111 -16.390 11.526 62 HB1 ALA 10 1HB ALA 10 -3.308 -16.487 14.438 63 HB2 ALA 10 2HB ALA 10 -4.778 -15.745 13.780 64 HB3 ALA 10 3HB ALA 10 -4.543 -17.502 13.664 65 H HIS 11 H HIS 11 -1.574 -15.280 13.877 66 HA HIS 11 HA HIS 11 -1.285 -12.795 12.266 67 HB3 HIS 11 2HB HIS 11 -0.335 -11.779 14.199 68 HD1 HIS 11 1HD HIS 11 -2.661 -10.384 14.120 69 HD2 HIS 11 2HD HIS 11 -2.815 -14.184 15.972 70 HE1 HIS 11 1HE HIS 11 -4.944 -10.585 15.131 71 H GLU 12 H GLU 12 1.050 -12.184 12.038 72 HA GLU 12 HA GLU 12 2.851 -12.583 10.797 73 HB3 GLU 12 2HB GLU 12 4.011 -14.411 12.733 74 HG3 GLU 12 2HG GLU 12 4.510 -11.738 11.650 75 H ALA 13 H ALA 13 1.037 -15.370 10.965 76 HA ALA 13 HA ALA 13 2.732 -16.856 9.067 77 HB1 ALA 13 1HB ALA 13 0.743 -17.700 11.224 78 HB2 ALA 13 2HB ALA 13 1.484 -18.799 10.044 79 HB3 ALA 13 3HB ALA 13 2.508 -17.940 11.213 80 H LYS 14 H LYS 14 -0.675 -15.811 9.783 81 HA LYS 14 HA LYS 14 -1.831 -17.277 7.669 82 HB3 LYS 14 2HB LYS 14 -2.870 -14.529 8.396 83 HG3 LYS 14 2HG LYS 14 -4.357 -17.152 7.955 84 HD3 LYS 14 2HD LYS 14 -6.073 -15.717 7.021 85 HE3 LYS 14 2HE LYS 14 -5.334 -14.691 9.792 86 HZ1 LYS 14 3HZ LYS 14 -7.762 -14.544 8.128 87 HZ2 LYS 14 1HZ LYS 14 -7.099 -13.361 9.002 88 HZ3 LYS 14 2HZ LYS 14 -7.851 -14.581 9.801 89 H PHE 15 H PHE 15 -0.723 -13.920 7.716 90 HA PHE 15 HA PHE 15 -0.934 -13.389 4.952 91 HB3 PHE 15 2HB PHE 15 0.327 -11.334 5.647 92 HD1 PHE 15 1HD PHE 15 -2.157 -10.941 4.956 93 HD2 PHE 15 2HD PHE 15 -0.980 -12.014 8.985 94 HE1 PHE 15 1HE PHE 15 -4.390 -10.352 5.777 95 HE2 PHE 15 2HE PHE 15 -3.207 -11.346 9.791 96 HZ PHE 15 HZ PHE 15 -4.922 -10.521 8.194 97 H ALA 16 H ALA 16 1.862 -14.506 6.956 98 HA ALA 16 HA ALA 16 3.823 -14.244 4.965 99 HB1 ALA 16 1HB ALA 16 4.262 -14.735 7.373 100 HB2 ALA 16 2HB ALA 16 3.650 -16.396 7.120 101 HB3 ALA 16 3HB ALA 16 5.106 -15.839 6.282 102 H HIS 17 H HIS 17 1.344 -16.743 5.410 103 HA HIS 17 HA HIS 17 2.399 -18.433 3.278 104 HB3 HIS 17 2HB HIS 17 0.079 -19.586 3.794 105 HD1 HIS 17 1HD HIS 17 1.974 -21.430 3.450 106 HD2 HIS 17 2HD HIS 17 2.126 -19.234 7.076 107 HE1 HIS 17 1HE HIS 17 3.760 -22.530 4.897 108 H ASP 18 H ASP 18 1.512 -15.524 2.787 109 HA ASP 18 HA ASP 18 0.797 -14.387 1.052 110 HB3 ASP 18 2HB ASP 18 0.653 -15.319 -1.155 111 H ALA 19 H ALA 19 -1.275 -15.186 -0.891 112 HA ALA 19 HA ALA 19 -3.457 -15.059 -1.228 113 HB1 ALA 19 1HB ALA 19 -3.754 -16.528 1.444 114 HB2 ALA 19 2HB ALA 19 -4.944 -16.430 0.135 115 HB3 ALA 19 3HB ALA 19 -3.421 -17.299 -0.104 116 H GLU 20 H GLU 20 -3.425 -14.659 2.258 117 HA GLU 20 HA GLU 20 -5.610 -12.709 2.215 118 HB3 GLU 20 2HB GLU 20 -3.778 -13.150 4.594 119 HG3 GLU 20 2HG GLU 20 -6.182 -11.881 4.456 120 H LEU 21 H LEU 21 -2.110 -12.661 2.240 121 HA LEU 21 HA LEU 21 -1.882 -9.882 3.052 122 HB3 LEU 21 2HB LEU 21 0.154 -11.802 1.821 123 HG LEU 21 HG LEU 21 1.065 -9.532 1.726 124 HD11 LEU 21 1HD1 LEU 21 1.432 -8.186 3.752 125 HD12 LEU 21 2HD1 LEU 21 0.480 -9.324 4.714 126 HD13 LEU 21 3HD1 LEU 21 -0.284 -8.377 3.421 127 HD21 LEU 21 3HD2 LEU 21 3.060 -9.865 3.055 128 HD22 LEU 21 1HD2 LEU 21 2.542 -11.403 2.338 129 HD23 LEU 21 2HD2 LEU 21 2.238 -11.084 4.059 130 H ASN 22 H ASN 22 -2.314 -11.443 -0.070 131 HA ASN 22 HA ASN 22 -1.019 -9.277 -1.552 132 HB3 ASN 22 2HB ASN 22 -2.800 -10.229 -3.340 133 HD21 ASN 22 1HD2 ASN 22 -1.227 -13.042 -3.351 134 HD22 ASN 22 2HD2 ASN 22 0.284 -12.504 -4.074 135 H PHE 23 H PHE 23 -4.272 -9.917 -0.366 136 HA PHE 23 HA PHE 23 -5.549 -7.594 -1.448 137 HB3 PHE 23 2HB PHE 23 -7.017 -7.994 0.708 138 HD1 PHE 23 2HD PHE 23 -8.474 -7.595 -1.208 139 HD2 PHE 23 1HD PHE 23 -6.386 -11.352 -0.723 140 HE1 PHE 23 2HE PHE 23 -9.979 -8.652 -2.870 141 HE2 PHE 23 1HE PHE 23 -7.911 -12.394 -2.375 142 HZ PHE 23 HZ PHE 23 -9.700 -11.032 -3.455 143 H LYS 24 H LYS 24 -4.345 -8.144 1.930 144 HA LYS 24 HA LYS 24 -4.737 -5.482 2.713 145 HB3 LYS 24 2HB LYS 24 -3.235 -5.920 4.588 146 HG3 LYS 24 2HG LYS 24 -4.453 -8.610 4.359 147 HD3 LYS 24 2HD LYS 24 -4.932 -6.276 6.243 148 HE3 LYS 24 2HE LYS 24 -5.979 -9.090 6.594 149 HZ1 LYS 24 3HZ LYS 24 -5.997 -7.425 8.462 150 HZ2 LYS 24 1HZ LYS 24 -7.477 -8.056 8.063 151 HZ3 LYS 24 2HZ LYS 24 -7.109 -6.548 7.583 152 H ALA 25 H ALA 25 -1.746 -6.900 1.267 153 HA ALA 25 HA ALA 25 -0.274 -4.463 1.587 154 HB1 ALA 25 1HB ALA 25 1.395 -5.563 0.239 155 HB2 ALA 25 2HB ALA 25 0.718 -6.712 1.423 156 HB3 ALA 25 3HB ALA 25 0.233 -6.801 -0.294 157 H GLU 26 H GLU 26 -2.447 -5.646 -1.075 158 HA GLU 26 HA GLU 26 -1.668 -3.630 -2.948 159 HB3 GLU 26 2HB GLU 26 -4.252 -3.968 -3.567 160 HG3 GLU 26 2HG GLU 26 -2.136 -6.087 -4.078 161 H ALA 27 H ALA 27 -4.080 -3.630 -0.279 162 HA ALA 27 HA ALA 27 -4.848 -0.913 -0.745 163 HB1 ALA 27 1HB ALA 27 -4.946 -2.516 1.846 164 HB2 ALA 27 2HB ALA 27 -5.800 -0.991 1.522 165 HB3 ALA 27 3HB ALA 27 -6.208 -2.443 0.608 166 H ARG 28 H ARG 28 -2.382 -2.181 1.558 167 HA ARG 28 HA ARG 28 -1.847 0.391 2.530 168 HB3 ARG 28 2HB ARG 28 0.384 -1.673 2.446 169 HG3 ARG 28 2HG ARG 28 0.711 0.594 3.594 170 HD3 ARG 28 2HD ARG 28 -1.830 0.272 4.635 171 HE ARG 28 HE ARG 28 0.028 -0.297 6.889 172 HH11 ARG 28 1HH1 ARG 28 -3.341 -0.419 5.724 173 HH12 ARG 28 2HH1 ARG 28 -3.840 -1.233 7.180 174 HH21 ARG 28 1HH2 ARG 28 -0.678 -1.622 8.550 175 HH22 ARG 28 2HH2 ARG 28 -2.402 -1.876 8.745 176 H ARG 29 H ARG 29 -0.456 -1.108 -0.397 177 HA ARG 29 HA ARG 29 1.660 0.808 -0.642 178 HB3 ARG 29 2HB ARG 29 1.631 -1.200 -2.067 179 HG3 ARG 29 2HG ARG 29 -1.000 -0.310 -2.870 180 HD3 ARG 29 2HD ARG 29 -0.435 -1.197 -5.347 181 HE ARG 29 HE ARG 29 -1.630 0.958 -4.448 182 HH11 ARG 29 1HH1 ARG 29 0.858 0.711 -7.015 183 HH12 ARG 29 2HH1 ARG 29 0.412 2.248 -7.690 184 HH21 ARG 29 1HH2 ARG 29 -2.122 2.893 -5.301 185 HH22 ARG 29 2HH2 ARG 29 -1.242 3.598 -6.624 186 H ASN 30 H ASN 30 -1.813 1.125 -1.356 187 HA ASN 30 HA ASN 30 -1.648 3.445 -2.987 188 HB3 ASN 30 2HB ASN 30 -3.958 3.886 -2.244 189 HD21 ASN 30 1HD2 ASN 30 -5.559 1.300 -2.089 190 HD22 ASN 30 2HD2 ASN 30 -5.323 0.558 -3.640 191 H ARG 31 H ARG 31 -1.828 2.987 0.538 192 HA ARG 31 HA ARG 31 -1.958 5.694 1.305 193 HB3 ARG 31 2HB ARG 31 -0.630 3.496 2.967 194 HG3 ARG 31 2HG ARG 31 -2.526 4.597 4.540 195 HD3 ARG 31 2HD ARG 31 -0.835 6.402 5.227 196 HE ARG 31 HE ARG 31 -0.852 3.602 5.777 197 HH11 ARG 31 1HH1 ARG 31 0.761 6.669 6.443 198 HH12 ARG 31 2HH1 ARG 31 1.472 6.130 7.918 199 HH21 ARG 31 1HH2 ARG 31 0.190 2.820 7.806 200 HH22 ARG 31 2HH2 ARG 31 0.997 4.011 8.727 201 H LEU 32 H LEU 32 0.886 3.552 0.926 202 HA LEU 32 HA LEU 32 2.811 5.517 1.703 203 HB3 LEU 32 2HB LEU 32 4.496 4.090 0.859 204 HG LEU 32 HG LEU 32 2.369 2.058 1.540 205 HD11 LEU 32 1HD1 LEU 32 4.515 1.167 0.731 206 HD12 LEU 32 2HD1 LEU 32 4.241 0.767 2.441 207 HD13 LEU 32 3HD1 LEU 32 5.366 2.065 2.004 208 HD21 LEU 32 3HD2 LEU 32 4.028 3.654 3.525 209 HD22 LEU 32 1HD2 LEU 32 2.981 2.265 3.900 210 HD23 LEU 32 2HD2 LEU 32 2.268 3.761 3.314 211 H LEU 33 H LEU 33 1.594 4.591 -1.564 212 HA LEU 33 HA LEU 33 3.161 6.519 -2.997 213 HB3 LEU 33 2HB LEU 33 0.518 5.984 -4.170 214 HG LEU 33 HG LEU 33 2.431 6.366 -5.633 215 HD11 LEU 33 1HD1 LEU 33 3.596 3.809 -4.410 216 HD12 LEU 33 2HD1 LEU 33 4.326 5.447 -4.371 217 HD13 LEU 33 3HD1 LEU 33 4.205 4.589 -5.877 218 HD21 LEU 33 3HD2 LEU 33 2.286 4.230 -6.967 219 HD22 LEU 33 1HD2 LEU 33 0.700 4.884 -6.482 220 HD23 LEU 33 2HD2 LEU 33 1.433 3.500 -5.608 221 H GLY 34 H GLY 34 0.154 6.808 -1.141 222 HA2 GLY 34 1HA GLY 34 -0.858 9.182 -2.278 223 HA3 GLY 34 2HA GLY 34 -1.224 8.523 -0.677 224 H GLU 35 H GLU 35 1.273 8.720 0.647 225 HA GLU 35 HA GLU 35 1.275 11.555 1.219 226 HB3 GLU 35 2HB GLU 35 1.559 10.059 3.004 227 HG3 GLU 35 2HG GLU 35 3.092 8.392 1.484 228 H TRP 36 H TRP 36 3.340 9.551 -0.831 229 HA TRP 36 HA TRP 36 5.235 11.602 -1.498 230 HB3 TRP 36 2HB TRP 36 4.130 9.173 -2.929 231 HD1 TRP 36 HD TRP 36 7.374 11.238 -3.514 232 HE1 TRP 36 1HE TRP 36 7.769 11.446 -5.980 233 HE3 TRP 36 3HE TRP 36 2.907 9.310 -5.199 234 HZ2 TRP 36 2HZ TRP 36 6.435 10.662 -8.435 235 HZ3 TRP 36 3HZ TRP 36 2.531 9.094 -7.669 236 HH2 TRP 36 HH TRP 36 4.277 9.730 -9.253 237 H ALA 37 H ALA 37 2.258 10.545 -3.255 238 HA ALA 37 HA ALA 37 2.305 12.554 -5.190 239 HB1 ALA 37 1HB ALA 37 -0.161 11.997 -5.459 240 HB2 ALA 37 2HB ALA 37 0.902 10.583 -5.421 241 HB3 ALA 37 3HB ALA 37 -0.015 11.012 -3.979 242 H ALA 38 H ALA 38 0.841 12.707 -1.934 243 HA ALA 38 HA ALA 38 -0.615 15.046 -2.044 244 HB1 ALA 38 1HB ALA 38 -0.388 13.574 -0.066 245 HB2 ALA 38 2HB ALA 38 1.276 14.144 0.176 246 HB3 ALA 38 3HB ALA 38 -0.066 15.275 0.347 247 H GLY 39 H GLY 39 2.949 14.775 -1.629 248 HA2 GLY 39 1HA GLY 39 3.348 17.643 -1.401 249 HA3 GLY 39 2HA GLY 39 4.578 16.378 -1.496 250 H LEU 40 H LEU 40 2.673 15.730 -4.090 251 HA LEU 40 HA LEU 40 4.310 17.368 -5.946 252 HB3 LEU 40 2HB LEU 40 3.478 15.671 -7.615 253 HG LEU 40 HG LEU 40 4.906 14.478 -5.193 254 HD11 LEU 40 1HD1 LEU 40 5.806 12.969 -7.042 255 HD12 LEU 40 2HD1 LEU 40 4.557 13.618 -8.104 256 HD13 LEU 40 3HD1 LEU 40 4.097 12.716 -6.636 257 HD21 LEU 40 3HD2 LEU 40 6.945 14.897 -6.505 258 HD22 LEU 40 1HD2 LEU 40 6.152 16.416 -6.127 259 HD23 LEU 40 2HD2 LEU 40 5.978 15.720 -7.764 260 H LEU 41 H LEU 41 0.883 16.524 -5.149 261 HA LEU 41 HA LEU 41 -0.272 18.479 -6.925 262 HB3 LEU 41 2HB LEU 41 -2.017 18.560 -5.082 263 HG LEU 41 HG LEU 41 -3.058 16.536 -5.491 264 HD11 LEU 41 1HD1 LEU 41 -2.765 17.940 -7.550 265 HD12 LEU 41 2HD1 LEU 41 -3.111 16.216 -7.819 266 HD13 LEU 41 3HD1 LEU 41 -1.460 16.828 -8.024 267 HD21 LEU 41 3HD2 LEU 41 -2.028 14.508 -6.380 268 HD22 LEU 41 1HD2 LEU 41 -1.469 14.966 -4.756 269 HD23 LEU 41 2HD2 LEU 41 -0.459 15.294 -6.160 270 H GLY 42 H GLY 42 1.228 18.488 -3.742 271 HA2 GLY 42 1HA GLY 42 2.527 20.249 -2.786 272 HA3 GLY 42 2HA GLY 42 1.798 21.421 -3.913 273 H LYS 43 H LYS 43 0.277 18.884 -1.925 274 HA LYS 43 HA LYS 43 -1.539 20.776 -0.672 275 HB3 LYS 43 2HB LYS 43 -2.187 18.847 0.706 276 HG3 LYS 43 2HG LYS 43 -2.806 17.107 -0.803 277 HD3 LYS 43 2HD LYS 43 -3.173 19.508 -2.590 278 HE3 LYS 43 2HE LYS 43 -4.156 17.171 -2.839 279 HZ1 LYS 43 3HZ LYS 43 -4.871 17.034 -0.369 280 HZ2 LYS 43 1HZ LYS 43 -6.076 16.686 -1.442 281 HZ3 LYS 43 2HZ LYS 43 -6.015 18.142 -0.730 282 H THR 44 H THR 44 -1.559 20.949 1.780 283 HA THR 44 HA THR 44 1.079 20.655 3.060 284 HB THR 44 HB THR 44 0.630 23.011 3.925 285 HG1 THR 44 1HG THR 44 -0.741 24.257 2.465 286 HG21 THR 44 3HG2 THR 44 1.044 22.852 0.912 287 HG22 THR 44 1HG2 THR 44 2.297 22.531 2.129 288 HG23 THR 44 2HG2 THR 44 1.565 24.134 2.004 289 H GLY 45 H GLY 45 0.817 20.333 5.377 290 HA2 GLY 45 1HA GLY 45 -0.113 20.517 7.446 291 HA3 GLY 45 2HA GLY 45 -1.446 21.466 6.754 292 H ASP 46 H ASP 46 -3.428 20.473 6.623 293 HA ASP 46 HA ASP 46 -3.491 17.617 7.308 294 HB3 ASP 46 2HB ASP 46 -5.895 19.418 6.908 295 H ASP 47 H ASP 47 -3.917 19.710 4.550 296 HA ASP 47 HA ASP 47 -5.789 18.095 3.023 297 HB3 ASP 47 2HB ASP 47 -4.524 19.505 1.153 298 H ALA 48 H ALA 48 -2.446 18.063 3.575 299 HA ALA 48 HA ALA 48 -1.691 16.274 1.393 300 HB1 ALA 48 1HB ALA 48 -0.136 17.954 2.329 301 HB2 ALA 48 2HB ALA 48 -0.339 17.247 3.937 302 HB3 ALA 48 3HB ALA 48 0.478 16.316 2.656 303 H ARG 49 H ARG 49 -2.592 16.037 4.836 304 HA ARG 49 HA ARG 49 -1.971 13.199 5.039 305 HB3 ARG 49 2HB ARG 49 -3.377 13.250 7.040 306 HG3 ARG 49 2HG ARG 49 -1.774 15.798 7.095 307 HD3 ARG 49 2HD ARG 49 -2.068 13.706 9.271 308 HE ARG 49 HE ARG 49 -1.690 16.379 10.120 309 HH11 ARG 49 1HH1 ARG 49 0.291 13.647 8.841 310 HH12 ARG 49 2HH1 ARG 49 1.785 14.399 9.175 311 HH21 ARG 49 1HH2 ARG 49 0.361 17.225 10.796 312 HH22 ARG 49 2HH2 ARG 49 1.827 16.399 10.390 313 H ALA 50 H ALA 50 -4.948 15.117 4.470 314 HA ALA 50 HA ALA 50 -6.697 13.020 4.052 315 HB1 ALA 50 1HB ALA 50 -7.385 15.384 4.200 316 HB2 ALA 50 2HB ALA 50 -6.672 15.710 2.610 317 HB3 ALA 50 3HB ALA 50 -8.051 14.602 2.759 318 H TYR 51 H TYR 51 -4.665 14.625 1.586 319 HA TYR 51 HA TYR 51 -5.428 13.041 -0.592 320 HB3 TYR 51 2HB TYR 51 -2.610 14.076 -0.107 321 HD1 TYR 51 1HD TYR 51 -2.024 12.051 -1.617 322 HD2 TYR 51 2HD TYR 51 -4.701 15.195 -2.867 323 HE1 TYR 51 1HE TYR 51 -2.143 11.068 -3.820 324 HE2 TYR 51 2HE TYR 51 -4.663 14.324 -5.173 325 HH TYR 51 HH TYR 51 -4.505 12.123 -6.102 326 H ALA 52 H ALA 52 -2.808 12.386 1.770 327 HA ALA 52 HA ALA 52 -2.061 9.888 0.686 328 HB1 ALA 52 1HB ALA 52 -1.747 10.836 3.563 329 HB2 ALA 52 2HB ALA 52 -0.801 9.579 2.743 330 HB3 ALA 52 3HB ALA 52 -0.666 11.269 2.213 331 H LEU 53 H LEU 53 -4.904 10.561 2.610 332 HA LEU 53 HA LEU 53 -4.991 7.697 3.488 333 HB3 LEU 53 2HB LEU 53 -6.523 8.672 5.282 334 HG LEU 53 HG LEU 53 -3.641 9.673 5.152 335 HD11 LEU 53 1HD1 LEU 53 -4.850 11.116 6.636 336 HD12 LEU 53 2HD1 LEU 53 -3.937 9.974 7.622 337 HD13 LEU 53 3HD1 LEU 53 -5.681 9.744 7.414 338 HD21 LEU 53 3HD2 LEU 53 -3.222 7.887 6.781 339 HD22 LEU 53 1HD2 LEU 53 -3.813 7.221 5.252 340 HD23 LEU 53 2HD2 LEU 53 -4.922 7.346 6.639 341 H THR 54 H THR 54 -6.474 9.583 1.176 342 HA THR 54 HA THR 54 -9.204 8.751 1.692 343 HB THR 54 HB THR 54 -8.707 10.979 0.892 344 HG1 THR 54 1HG THR 54 -10.094 9.658 -1.184 345 HG21 THR 54 3HG2 THR 54 -8.046 11.501 -1.381 346 HG22 THR 54 1HG2 THR 54 -7.828 9.783 -1.761 347 HG23 THR 54 2HG2 THR 54 -6.776 10.581 -0.581 348 H VAL 55 H VAL 55 -6.492 7.769 -0.488 349 HA VAL 55 HA VAL 55 -8.231 5.870 -1.878 350 HB VAL 55 HB VAL 55 -5.220 6.120 -2.164 351 HG11 VAL 55 1HG1 VAL 55 -5.599 5.220 -4.352 352 HG12 VAL 55 2HG1 VAL 55 -6.521 4.215 -3.238 353 HG13 VAL 55 3HG1 VAL 55 -7.376 5.424 -4.185 354 HG21 VAL 55 3HG2 VAL 55 -5.897 8.405 -2.545 355 HG22 VAL 55 1HG2 VAL 55 -5.731 7.661 -4.130 356 HG23 VAL 55 2HG2 VAL 55 -7.341 7.895 -3.411 357 H VAL 56 H VAL 56 -8.050 5.457 1.015 358 HA VAL 56 HA VAL 56 -7.394 2.693 0.856 359 HB VAL 56 HB VAL 56 -5.108 3.672 1.322 360 HG11 VAL 56 1HG1 VAL 56 -5.777 5.415 2.954 361 HG12 VAL 56 2HG1 VAL 56 -6.133 4.132 4.137 362 HG13 VAL 56 3HG1 VAL 56 -4.492 4.350 3.515 363 HG21 VAL 56 3HG2 VAL 56 -6.247 1.601 3.188 364 HG22 VAL 56 1HG2 VAL 56 -5.554 1.367 1.586 365 HG23 VAL 56 2HG2 VAL 56 -4.519 1.913 2.913 366 H THR 57 H THR 57 -8.730 1.584 2.201 367 HA THR 57 HA THR 57 -10.269 3.150 4.171 368 HB THR 57 HB THR 57 -11.287 0.504 4.002 369 HG1 THR 57 1HG THR 57 -10.198 0.253 1.937 370 HG21 THR 57 3HG2 THR 57 -12.539 2.638 4.298 371 HG22 THR 57 1HG2 THR 57 -13.147 1.791 2.864 372 HG23 THR 57 2HG2 THR 57 -12.023 3.170 2.678 373 H SER 58 H SER 58 -7.436 1.957 4.387 374 HA SER 58 HA SER 58 -6.058 1.078 5.915 375 HB3 SER 58 2HB SER 58 -6.413 3.037 6.996 376 HG SER 58 HG SER 58 -8.940 2.153 7.425 377 H ASP 59 H ASP 59 -8.280 -0.763 5.109 378 HA ASP 59 HA ASP 59 -7.192 -2.870 6.741 379 HB3 ASP 59 2HB ASP 59 -10.153 -3.098 6.146 380 H PHE 60 H PHE 60 -8.743 -4.890 5.115 381 HA PHE 60 HA PHE 60 -6.977 -5.099 2.945 382 HB3 PHE 60 2HB PHE 60 -7.923 -7.022 3.910 383 HD1 PHE 60 1HD PHE 60 -10.936 -5.663 2.079 384 HD2 PHE 60 2HD PHE 60 -9.421 -7.560 5.635 385 HE1 PHE 60 1HE PHE 60 -13.243 -5.865 2.943 386 HE2 PHE 60 2HE PHE 60 -11.743 -7.807 6.478 387 HZ PHE 60 HZ PHE 60 -13.658 -6.961 5.136 388 H ASP 61 H ASP 61 -9.629 -2.969 3.040 389 HA ASP 61 HA ASP 61 -10.411 -3.408 0.246 390 HB3 ASP 61 2HB ASP 61 -11.921 -1.292 1.085 391 H GLU 62 H GLU 62 -10.531 -1.803 -1.253 392 HA GLU 62 HA GLU 62 -9.718 -0.204 -2.649 393 HB3 GLU 62 2HB GLU 62 -7.907 1.369 -2.127 394 HG3 GLU 62 2HG GLU 62 -9.250 2.502 -0.101 395 HA PRO 63 HA PRO 63 -6.498 -3.442 -3.309 396 HB3 PRO 63 2HB PRO 63 -8.102 -4.787 -4.347 397 HG3 PRO 63 2HG PRO 63 -9.873 -3.851 -5.626 398 HD3 PRO 63 2HD PRO 63 -10.103 -2.905 -3.500 399 H GLY 64 H GLY 64 -5.224 -3.545 -5.697 400 HA2 GLY 64 1HA GLY 64 -5.004 -1.046 -7.088 401 HA3 GLY 64 2HA GLY 64 -3.666 -1.226 -5.927 402 H ASP 65 H ASP 65 -5.324 -2.689 -8.689 403 HA ASP 65 HA ASP 65 -3.391 -4.860 -9.052 404 HB3 ASP 65 2HB ASP 65 -5.611 -3.790 -10.820 405 H GLU 66 H GLU 66 -4.166 -2.557 -11.695 406 HA GLU 66 HA GLU 66 -1.371 -1.521 -11.650 407 HB3 GLU 66 2HB GLU 66 -1.485 -1.968 -14.241 408 HG3 GLU 66 2HG GLU 66 -0.482 -4.207 -14.031 409 H ASP 67 H ASP 67 -4.754 -1.198 -12.794 410 HA ASP 67 HA ASP 67 -4.276 1.031 -14.508 411 HB3 ASP 67 2HB ASP 67 -6.903 0.523 -13.078 412 H VAL 68 H VAL 68 -4.344 0.746 -11.155 413 HA VAL 68 HA VAL 68 -5.016 3.294 -10.179 414 HB VAL 68 HB VAL 68 -4.587 1.005 -9.101 415 HG11 VAL 68 1HG1 VAL 68 -2.344 0.617 -10.038 416 HG12 VAL 68 2HG1 VAL 68 -1.716 1.948 -9.055 417 HG13 VAL 68 3HG1 VAL 68 -2.375 0.499 -8.272 418 HG21 VAL 68 3HG2 VAL 68 -5.086 3.026 -7.795 419 HG22 VAL 68 1HG2 VAL 68 -3.925 2.011 -6.945 420 HG23 VAL 68 2HG2 VAL 68 -3.377 3.487 -7.791 421 H PHE 69 H PHE 69 -2.168 2.183 -11.988 422 HA PHE 69 HA PHE 69 -0.451 4.481 -11.682 423 HB3 PHE 69 2HB PHE 69 -0.921 2.421 -13.898 424 HD1 PHE 69 2HD PHE 69 2.361 3.953 -13.147 425 HD2 PHE 69 1HD PHE 69 -0.947 3.803 -15.923 426 HE1 PHE 69 2HE PHE 69 3.641 5.268 -14.754 427 HE2 PHE 69 1HE PHE 69 0.355 5.133 -17.529 428 HZ PHE 69 HZ PHE 69 2.635 5.904 -16.960 429 H ARG 70 H ARG 70 -2.830 3.637 -14.242 430 HA ARG 70 HA ARG 70 -2.783 6.090 -15.610 431 HB3 ARG 70 2HB ARG 70 -5.086 4.117 -15.247 432 HG3 ARG 70 2HG ARG 70 -4.477 5.875 -17.646 433 HD3 ARG 70 2HD ARG 70 -6.802 4.944 -18.281 434 HE ARG 70 HE ARG 70 -4.921 2.657 -18.128 435 HH11 ARG 70 1HH1 ARG 70 -5.991 5.449 -20.046 436 HH12 ARG 70 2HH1 ARG 70 -5.604 4.722 -21.570 437 HH21 ARG 70 1HH2 ARG 70 -4.330 1.736 -20.107 438 HH22 ARG 70 2HH2 ARG 70 -4.488 2.616 -21.588 439 H LYS 71 H LYS 71 -4.520 5.135 -12.683 440 HA LYS 71 HA LYS 71 -6.268 7.414 -12.685 441 HB3 LYS 71 2HB LYS 71 -5.545 5.640 -10.315 442 HG3 LYS 71 2HG LYS 71 -7.972 7.366 -10.996 443 HD3 LYS 71 2HD LYS 71 -7.266 5.724 -8.536 444 HE3 LYS 71 2HE LYS 71 -8.124 7.815 -7.714 445 HZ1 LYS 71 3HZ LYS 71 -9.190 8.741 -9.607 446 HZ2 LYS 71 1HZ LYS 71 -10.303 8.607 -8.448 447 HZ3 LYS 71 2HZ LYS 71 -10.309 7.521 -9.692 448 H LEU 72 H LEU 72 -3.491 6.635 -10.507 449 HA LEU 72 HA LEU 72 -3.276 9.276 -9.329 450 HB3 LEU 72 2HB LEU 72 -0.932 8.424 -8.844 451 HG LEU 72 HG LEU 72 -1.586 6.139 -7.679 452 HD11 LEU 72 1HD1 LEU 72 -1.682 7.298 -5.615 453 HD12 LEU 72 2HD1 LEU 72 -2.283 8.778 -6.379 454 HD13 LEU 72 3HD1 LEU 72 -0.607 8.240 -6.630 455 HD21 LEU 72 3HD2 LEU 72 -4.211 7.665 -7.582 456 HD22 LEU 72 1HD2 LEU 72 -3.784 6.236 -6.616 457 HD23 LEU 72 2HD2 LEU 72 -3.943 6.090 -8.365 458 H ALA 73 H ALA 73 -1.998 7.915 -12.372 459 HA ALA 73 HA ALA 73 -0.064 9.906 -12.943 460 HB1 ALA 73 1HB ALA 73 -1.836 8.309 -14.850 461 HB2 ALA 73 2HB ALA 73 -0.402 9.240 -15.308 462 HB3 ALA 73 3HB ALA 73 -0.231 7.823 -14.265 463 H ALA 74 H ALA 74 -3.588 9.771 -13.551 464 HA ALA 74 HA ALA 74 -3.836 12.171 -15.039 465 HB1 ALA 74 1HB ALA 74 -6.184 12.102 -14.315 466 HB2 ALA 74 2HB ALA 74 -5.640 10.454 -14.663 467 HB3 ALA 74 3HB ALA 74 -5.798 11.037 -12.984 468 H ASP 75 H ASP 75 -3.986 11.608 -11.544 469 HA ASP 75 HA ASP 75 -4.414 14.309 -10.744 470 HB3 ASP 75 2HB ASP 75 -3.289 13.215 -8.519 471 H LEU 76 H LEU 76 -1.426 12.616 -11.551 472 HA LEU 76 HA LEU 76 0.170 15.000 -10.711 473 HB3 LEU 76 2HB LEU 76 2.054 13.473 -10.492 474 HG LEU 76 HG LEU 76 -0.351 12.296 -9.089 475 HD11 LEU 76 1HD1 LEU 76 2.603 12.273 -8.399 476 HD12 LEU 76 2HD1 LEU 76 1.726 10.948 -9.140 477 HD13 LEU 76 3HD1 LEU 76 1.292 11.458 -7.518 478 HD21 LEU 76 3HD2 LEU 76 -0.396 14.570 -8.368 479 HD22 LEU 76 1HD2 LEU 76 1.383 14.672 -8.350 480 HD23 LEU 76 2HD2 LEU 76 0.518 13.700 -7.139 481 H GLU 77 H GLU 77 -1.167 14.379 -13.458 482 HA GLU 77 HA GLU 77 0.797 14.075 -15.443 483 HB3 GLU 77 2HB GLU 77 -1.676 15.818 -15.342 484 HG3 GLU 77 2HG GLU 77 -0.398 14.593 -17.796 485 H GLY 78 H GLY 78 2.680 15.177 -15.544 486 HA2 GLY 78 1HA GLY 78 4.012 17.068 -15.934 487 HA3 GLY 78 2HA GLY 78 2.692 18.119 -15.419 488 H LYS 79 H LYS 79 3.148 15.655 -13.118 489 HA LYS 79 HA LYS 79 5.179 17.230 -11.594 490 HB3 LYS 79 2HB LYS 79 4.045 16.778 -9.533 491 HG3 LYS 79 2HG LYS 79 3.311 18.834 -10.843 492 HD3 LYS 79 2HD LYS 79 1.262 16.913 -11.806 493 HE3 LYS 79 2HE LYS 79 0.466 19.481 -10.445 494 HZ1 LYS 79 3HZ LYS 79 -0.527 19.239 -12.657 495 HZ2 LYS 79 1HZ LYS 79 -1.629 19.256 -11.471 496 HZ3 LYS 79 2HZ LYS 79 -1.242 17.831 -12.247 497 H ALA 80 H ALA 80 3.881 14.069 -12.518 498 HA ALA 80 HA ALA 80 6.483 12.946 -11.967 499 HB1 ALA 80 1HB ALA 80 5.411 12.432 -9.844 500 HB2 ALA 80 2HB ALA 80 3.976 11.777 -10.680 501 HB3 ALA 80 3HB ALA 80 5.549 10.957 -10.820 502 H ASP 81 H ASP 81 6.924 11.996 -13.822 503 HA ASP 81 HA ASP 81 4.882 11.348 -15.832 504 HB3 ASP 81 2HB ASP 81 6.794 10.900 -17.251 505 H GLU 82 H GLU 82 5.362 9.121 -17.037 506 HA GLU 82 HA GLU 82 4.835 6.937 -15.411 507 HB3 GLU 82 2HB GLU 82 6.257 6.926 -18.103 508 HG3 GLU 82 2HG GLU 82 5.095 4.713 -16.378 509 H GLU 83 H GLU 83 8.025 8.041 -16.515 510 HA GLU 83 HA GLU 83 9.667 6.063 -15.498 511 HB3 GLU 83 2HB GLU 83 10.141 9.062 -15.706 512 HG3 GLU 83 2HG GLU 83 12.073 6.739 -15.355 513 H THR 84 H THR 84 7.967 8.450 -13.620 514 HA THR 84 HA THR 84 9.602 7.837 -11.208 515 HB THR 84 HB THR 84 7.547 10.051 -11.869 516 HG1 THR 84 1HG THR 84 9.133 11.304 -12.595 517 HG21 THR 84 3HG2 THR 84 8.385 11.302 -10.005 518 HG22 THR 84 1HG2 THR 84 9.691 10.140 -9.743 519 HG23 THR 84 2HG2 THR 84 8.034 9.658 -9.418 520 H ILE 85 H ILE 85 6.246 7.939 -12.434 521 HA ILE 85 HA ILE 85 4.962 7.025 -10.024 522 HB ILE 85 HB ILE 85 4.264 6.591 -12.950 523 HG13 ILE 85 2HG1 ILE 85 4.465 9.030 -12.207 524 HG21 ILE 85 1HG2 ILE 85 2.414 6.485 -10.509 525 HG22 ILE 85 2HG2 ILE 85 1.968 6.093 -12.167 526 HG23 ILE 85 3HG2 ILE 85 3.061 5.036 -11.248 527 HD11 ILE 85 3HD1 ILE 85 2.913 8.488 -14.033 528 HD12 ILE 85 1HD1 ILE 85 1.627 8.164 -12.852 529 HD13 ILE 85 2HD1 ILE 85 2.297 9.789 -12.990 530 H ARG 86 H ARG 86 5.952 5.240 -13.053 531 HA ARG 86 HA ARG 86 5.385 2.676 -11.909 532 HB3 ARG 86 2HB ARG 86 7.029 2.106 -14.030 533 HG3 ARG 86 2HG ARG 86 4.796 2.460 -15.436 534 HD3 ARG 86 2HD ARG 86 3.754 0.421 -14.358 535 HE ARG 86 HE ARG 86 5.726 0.458 -16.060 536 HH11 ARG 86 1HH1 ARG 86 5.632 -1.536 -13.129 537 HH12 ARG 86 2HH1 ARG 86 7.044 -2.451 -13.523 538 HH21 ARG 86 1HH2 ARG 86 7.306 -0.859 -16.756 539 HH22 ARG 86 2HH2 ARG 86 7.900 -2.191 -15.794 540 H ALA 87 H ALA 87 8.077 4.762 -11.549 541 HA ALA 87 HA ALA 87 9.901 2.669 -10.646 542 HB1 ALA 87 1HB ALA 87 9.963 5.656 -10.053 543 HB2 ALA 87 2HB ALA 87 11.214 4.486 -9.609 544 HB3 ALA 87 3HB ALA 87 10.867 4.803 -11.305 545 H LYS 88 H LYS 88 8.221 5.199 -8.854 546 HA LYS 88 HA LYS 88 8.667 4.206 -6.229 547 HB3 LYS 88 2HB LYS 88 6.575 5.651 -5.707 548 HG3 LYS 88 2HG LYS 88 7.505 7.817 -6.845 549 HD3 LYS 88 2HD LYS 88 9.413 6.322 -5.004 550 HE3 LYS 88 2HE LYS 88 9.041 9.273 -5.737 551 HZ1 LYS 88 3HZ LYS 88 10.909 9.612 -4.207 552 HZ2 LYS 88 1HZ LYS 88 10.860 8.069 -3.747 553 HZ3 LYS 88 2HZ LYS 88 9.606 9.063 -3.359 554 H MET 89 H MET 89 5.959 3.588 -8.538 555 HA MET 89 HA MET 89 4.323 2.339 -6.654 556 HB3 MET 89 2HB MET 89 3.920 3.288 -9.097 557 HG3 MET 89 2HG MET 89 3.815 0.325 -9.664 558 HE1 MET 89 3HE MET 89 1.104 0.468 -12.234 559 HE2 MET 89 1HE MET 89 2.470 -0.498 -11.683 560 HE3 MET 89 2HE MET 89 1.313 0.149 -10.499 561 H VAL 90 H VAL 90 7.103 1.085 -8.520 562 HA VAL 90 HA VAL 90 6.732 -1.692 -7.679 563 HB VAL 90 HB VAL 90 9.088 -0.126 -8.844 564 HG11 VAL 90 1HG1 VAL 90 10.059 -2.430 -9.270 565 HG12 VAL 90 2HG1 VAL 90 9.926 -2.076 -7.547 566 HG13 VAL 90 3HG1 VAL 90 8.741 -3.139 -8.296 567 HG21 VAL 90 3HG2 VAL 90 8.623 -1.050 -10.930 568 HG22 VAL 90 1HG2 VAL 90 7.438 -2.232 -10.271 569 HG23 VAL 90 2HG2 VAL 90 7.063 -0.505 -10.357 570 H GLU 91 H GLU 91 8.833 1.124 -6.829 571 HA GLU 91 HA GLU 91 10.432 -0.060 -5.032 572 HB3 GLU 91 2HB GLU 91 9.377 2.766 -4.714 573 HG3 GLU 91 2HG GLU 91 12.026 1.398 -4.128 574 H LEU 92 H LEU 92 7.253 1.269 -4.286 575 HA LEU 92 HA LEU 92 7.573 0.869 -1.374 576 HB3 LEU 92 2HB LEU 92 5.130 1.703 -1.434 577 HG LEU 92 HG LEU 92 7.186 3.444 -2.892 578 HD11 LEU 92 1HD1 LEU 92 4.502 4.026 -2.438 579 HD12 LEU 92 2HD1 LEU 92 5.816 5.187 -2.752 580 HD13 LEU 92 3HD1 LEU 92 5.329 4.846 -1.108 581 HD21 LEU 92 3HD2 LEU 92 6.690 3.014 0.080 582 HD22 LEU 92 1HD2 LEU 92 7.586 4.411 -0.574 583 HD23 LEU 92 2HD2 LEU 92 8.213 2.788 -0.808 584 H ARG 93 H ARG 93 6.950 -1.201 -3.844 585 HA ARG 93 HA ARG 93 4.422 -2.258 -2.928 586 HB3 ARG 93 2HB ARG 93 6.227 -3.515 -5.010 587 HG3 ARG 93 2HG ARG 93 3.818 -4.226 -4.425 588 HD3 ARG 93 2HD ARG 93 3.169 -1.925 -6.292 589 HE ARG 93 HE ARG 93 1.303 -3.178 -4.405 590 HH11 ARG 93 1HH1 ARG 93 2.771 -3.599 -7.642 591 HH12 ARG 93 2HH1 ARG 93 1.427 -4.472 -8.277 592 HH21 ARG 93 1HH2 ARG 93 -0.455 -4.429 -5.286 593 HH22 ARG 93 2HH2 ARG 93 -0.255 -5.204 -6.802 594 H ALA 94 H ALA 94 7.696 -3.486 -3.320 595 HA ALA 94 HA ALA 94 7.586 -5.921 -1.933 596 HB1 ALA 94 1HB ALA 94 9.808 -3.832 -2.213 597 HB2 ALA 94 2HB ALA 94 10.041 -5.545 -1.788 598 HB3 ALA 94 3HB ALA 94 9.431 -5.082 -3.395 599 H THR 95 H THR 95 7.915 -2.587 -0.732 600 HA THR 95 HA THR 95 8.333 -3.341 2.000 601 HB THR 95 HB THR 95 7.669 -0.633 0.751 602 HG1 THR 95 1HG THR 95 9.945 -0.485 0.643 603 HG21 THR 95 3HG2 THR 95 8.947 0.262 2.685 604 HG22 THR 95 1HG2 THR 95 9.126 -1.380 3.335 605 HG23 THR 95 2HG2 THR 95 7.523 -0.625 3.221 606 H ALA 96 H ALA 96 5.472 -2.009 0.211 607 HA ALA 96 HA ALA 96 3.740 -1.723 2.409 608 HB1 ALA 96 1HB ALA 96 1.946 -1.877 0.681 609 HB2 ALA 96 2HB ALA 96 3.254 -0.778 0.211 610 HB3 ALA 96 3HB ALA 96 3.154 -2.408 -0.505 611 H ARG 97 H ARG 97 4.906 -4.621 0.963 612 HA ARG 97 HA ARG 97 2.825 -6.415 1.942 613 HB3 ARG 97 2HB ARG 97 4.900 -8.042 1.542 614 HG3 ARG 97 2HG ARG 97 3.361 -6.493 -0.582 615 HD3 ARG 97 2HD ARG 97 4.913 -9.061 -0.945 616 HE ARG 97 HE ARG 97 2.669 -9.140 -1.892 617 HH11 ARG 97 1HH1 ARG 97 5.163 -7.410 -3.833 618 HH12 ARG 97 2HH1 ARG 97 4.193 -7.343 -5.245 619 HH21 ARG 97 1HH2 ARG 97 1.477 -9.215 -3.810 620 HH22 ARG 97 2HH2 ARG 97 2.074 -8.522 -5.256 621 H GLU 98 H GLU 98 6.233 -5.746 3.098 622 HA GLU 98 HA GLU 98 5.873 -7.065 5.493 623 HB3 GLU 98 2HB GLU 98 7.667 -4.691 4.810 624 HG3 GLU 98 2HG GLU 98 7.687 -5.390 7.145 625 H GLN 99 H GLN 99 5.444 -3.604 4.713 626 HA GLN 99 HA GLN 99 4.733 -2.611 7.245 627 HB3 GLN 99 2HB GLN 99 3.462 -0.906 5.640 628 HG3 GLN 99 2HG GLN 99 6.472 -1.025 5.332 629 HE21 GLN 99 1HE2 GLN 99 7.200 1.120 4.609 630 HE22 GLN 99 2HE2 GLN 99 6.110 2.477 4.596 631 H ILE 100 H ILE 100 2.922 -4.934 5.784 632 HA ILE 100 HA ILE 100 0.397 -4.071 7.110 633 HB ILE 100 HB ILE 100 1.384 -6.723 5.914 634 HG13 ILE 100 2HG1 ILE 100 -0.474 -6.302 4.247 635 HG21 ILE 100 1HG2 ILE 100 -1.326 -6.215 7.174 636 HG22 ILE 100 2HG2 ILE 100 -0.924 -7.585 6.105 637 HG23 ILE 100 3HG2 ILE 100 -0.097 -7.417 7.652 638 HD11 ILE 100 3HD1 ILE 100 -1.703 -4.498 5.550 639 HD12 ILE 100 1HD1 ILE 100 -0.330 -3.415 5.196 640 HD13 ILE 100 2HD1 ILE 100 -1.269 -4.093 3.881 641 H ILE 101 H ILE 101 2.586 -6.846 7.780 642 HA ILE 101 HA ILE 101 1.688 -6.943 10.486 643 HB ILE 101 HB ILE 101 4.111 -8.096 9.058 644 HG13 ILE 101 2HG1 ILE 101 2.898 -10.088 8.764 645 HG21 ILE 101 1HG2 ILE 101 4.683 -8.038 11.383 646 HG22 ILE 101 2HG2 ILE 101 3.095 -8.647 11.868 647 HG23 ILE 101 3HG2 ILE 101 4.243 -9.693 10.979 648 HD11 ILE 101 3HD1 ILE 101 0.629 -10.550 9.527 649 HD12 ILE 101 1HD1 ILE 101 1.667 -10.336 10.928 650 HD13 ILE 101 2HD1 ILE 101 0.570 -9.028 10.418 651 H SER 102 H SER 102 4.471 -5.407 8.891 652 HA SER 102 HA SER 102 5.696 -4.503 11.313 653 HB3 SER 102 2HB SER 102 6.081 -3.745 8.402 654 HG SER 102 HG SER 102 7.628 -3.258 10.702 655 H GLU 103 H GLU 103 2.733 -3.447 10.070 656 HA GLU 103 HA GLU 103 3.177 -0.762 11.302 657 HB3 GLU 103 2HB GLU 103 1.044 -1.808 9.439 658 HG3 GLU 103 2HG GLU 103 0.949 0.473 11.374 659 H ILE 104 H ILE 104 1.764 -3.921 11.818 660 HA ILE 104 HA ILE 104 -0.142 -3.113 13.844 661 HB ILE 104 HB ILE 104 1.253 -5.812 13.674 662 HG13 ILE 104 2HG1 ILE 104 0.258 -5.223 11.447 663 HG21 ILE 104 1HG2 ILE 104 -0.138 -5.247 15.712 664 HG22 ILE 104 2HG2 ILE 104 -1.549 -5.057 14.660 665 HG23 ILE 104 3HG2 ILE 104 -0.758 -6.636 14.813 666 HD11 ILE 104 3HD1 ILE 104 -1.412 -7.351 12.781 667 HD12 ILE 104 1HD1 ILE 104 -1.042 -7.174 11.062 668 HD13 ILE 104 2HD1 ILE 104 0.251 -7.589 12.214 Start of MODEL 7 1 H1 MET 1 H MET 1 -14.405 -14.356 19.237 2 HA MET 1 HA MET 1 -13.011 -16.202 17.387 3 HB3 MET 1 2HB MET 1 -12.344 -13.351 18.233 4 HG3 MET 1 2HG MET 1 -10.251 -14.561 18.061 5 HE1 MET 1 3HE MET 1 -10.461 -15.698 13.651 6 HE2 MET 1 1HE MET 1 -11.490 -14.426 14.335 7 HE3 MET 1 2HE MET 1 -9.721 -14.270 14.405 8 H THR 2 H THR 2 -11.421 -17.512 18.240 9 HA THR 2 HA THR 2 -9.968 -16.640 20.590 10 HB THR 2 HB THR 2 -10.011 -19.123 21.381 11 HG1 THR 2 1HG THR 2 -11.275 -20.059 19.818 12 HG21 THR 2 3HG2 THR 2 -12.490 -17.445 21.894 13 HG22 THR 2 1HG2 THR 2 -10.917 -17.234 22.699 14 HG23 THR 2 2HG2 THR 2 -11.829 -18.732 22.918 15 H THR 3 H THR 3 -7.877 -16.836 20.056 16 HA THR 3 HA THR 3 -6.712 -19.173 19.179 17 HB THR 3 HB THR 3 -5.573 -17.673 17.103 18 HG1 THR 3 1HG THR 3 -7.365 -17.230 15.736 19 HG21 THR 3 3HG2 THR 3 -7.572 -19.966 16.981 20 HG22 THR 3 1HG2 THR 3 -5.813 -20.067 17.083 21 HG23 THR 3 2HG2 THR 3 -6.563 -19.413 15.625 22 H PHE 4 H PHE 4 -4.880 -19.096 20.349 23 HA PHE 4 HA PHE 4 -3.082 -16.858 20.019 24 HB3 PHE 4 2HB PHE 4 -4.349 -16.316 22.150 25 HD1 PHE 4 1HD PHE 4 -5.925 -18.020 23.063 26 HD2 PHE 4 2HD PHE 4 -1.654 -18.407 23.589 27 HE1 PHE 4 1HE PHE 4 -6.285 -19.728 24.823 28 HE2 PHE 4 2HE PHE 4 -2.024 -20.124 25.321 29 HZ PHE 4 HZ PHE 4 -4.339 -20.783 25.962 30 H ASP 5 H ASP 5 -0.920 -17.599 20.140 31 HA ASP 5 HA ASP 5 -0.160 -19.971 21.498 32 HB3 ASP 5 2HB ASP 5 0.360 -20.066 18.528 33 H ASP 6 H ASP 6 2.319 -20.241 20.845 34 HA ASP 6 HA ASP 6 3.555 -17.524 20.854 35 HB3 ASP 6 2HB ASP 6 5.654 -18.995 21.293 36 H ARG 7 H ARG 7 3.406 -16.933 18.721 37 HA ARG 7 HA ARG 7 4.047 -16.591 16.694 38 HB3 ARG 7 2HB ARG 7 6.426 -18.430 16.819 39 HG3 ARG 7 2HG ARG 7 6.027 -15.460 16.342 40 HD3 ARG 7 2HD ARG 7 8.413 -15.584 15.465 41 HE ARG 7 HE ARG 7 7.597 -15.259 18.157 42 HH11 ARG 7 1HH1 ARG 7 10.521 -15.699 16.227 43 HH12 ARG 7 2HH1 ARG 7 11.539 -14.773 17.249 44 HH21 ARG 7 1HH2 ARG 7 8.948 -14.015 19.588 45 HH22 ARG 7 2HH2 ARG 7 10.642 -13.957 19.310 46 H GLU 8 H GLU 8 3.167 -19.580 17.429 47 HA GLU 8 HA GLU 8 3.668 -21.391 15.526 48 HB3 GLU 8 2HB GLU 8 0.837 -21.419 16.497 49 HG3 GLU 8 2HG GLU 8 1.215 -23.481 17.424 50 H ARG 9 H ARG 9 3.723 -20.915 13.446 51 HA ARG 9 HA ARG 9 3.195 -20.249 11.363 52 HB3 ARG 9 2HB ARG 9 1.171 -21.126 10.386 53 HG3 ARG 9 2HG ARG 9 1.212 -23.464 11.020 54 HD3 ARG 9 2HD ARG 9 4.003 -22.291 11.294 55 HE ARG 9 HE ARG 9 3.579 -25.040 10.378 56 HH11 ARG 9 1HH1 ARG 9 4.755 -22.913 13.042 57 HH12 ARG 9 2HH1 ARG 9 4.633 -24.200 14.174 58 HH21 ARG 9 1HH2 ARG 9 4.248 -26.798 11.852 59 HH22 ARG 9 2HH2 ARG 9 5.137 -26.309 13.287 60 H ALA 10 H ALA 10 2.767 -18.164 13.312 61 HA ALA 10 HA ALA 10 0.442 -16.726 12.139 62 HB1 ALA 10 1HB ALA 10 0.299 -15.537 14.334 63 HB2 ALA 10 2HB ALA 10 0.037 -17.282 14.455 64 HB3 ALA 10 3HB ALA 10 1.589 -16.580 14.968 65 H HIS 11 H HIS 11 3.516 -15.978 13.917 66 HA HIS 11 HA HIS 11 3.804 -13.662 12.142 67 HB3 HIS 11 2HB HIS 11 5.658 -12.960 13.525 68 HD1 HIS 11 1HD HIS 11 3.208 -11.420 13.711 69 HD2 HIS 11 2HD HIS 11 3.884 -14.588 16.349 70 HE1 HIS 11 1HE HIS 11 1.521 -11.141 15.570 71 H GLU 12 H GLU 12 5.117 -16.799 12.567 72 HA GLU 12 HA GLU 12 7.442 -16.433 10.905 73 HB3 GLU 12 2HB GLU 12 7.436 -17.884 12.827 74 HG3 GLU 12 2HG GLU 12 5.761 -19.893 11.309 75 H ALA 13 H ALA 13 4.451 -18.268 10.442 76 HA ALA 13 HA ALA 13 5.132 -18.700 7.555 77 HB1 ALA 13 1HB ALA 13 3.979 -20.644 9.512 78 HB2 ALA 13 2HB ALA 13 4.537 -21.012 7.869 79 HB3 ALA 13 3HB ALA 13 5.729 -20.567 9.109 80 H LYS 14 H LYS 14 2.942 -17.202 9.232 81 HA LYS 14 HA LYS 14 0.693 -17.709 7.334 82 HB3 LYS 14 2HB LYS 14 1.233 -15.100 8.864 83 HG3 LYS 14 2HG LYS 14 -1.366 -16.624 8.656 84 HD3 LYS 14 2HD LYS 14 -0.489 -14.033 9.996 85 HE3 LYS 14 2HE LYS 14 -3.386 -14.879 9.612 86 HZ1 LYS 14 3HZ LYS 14 -3.485 -12.341 10.017 87 HZ2 LYS 14 1HZ LYS 14 -2.046 -12.508 10.737 88 HZ3 LYS 14 2HZ LYS 14 -3.373 -13.337 11.312 89 H PHE 15 H PHE 15 3.485 -15.477 7.546 90 HA PHE 15 HA PHE 15 2.539 -14.160 5.093 91 HB3 PHE 15 2HB PHE 15 4.553 -12.696 5.593 92 HD1 PHE 15 1HD PHE 15 1.854 -11.973 5.236 93 HD2 PHE 15 2HD PHE 15 3.894 -12.640 9.002 94 HE1 PHE 15 1HE PHE 15 0.584 -10.192 6.257 95 HE2 PHE 15 2HE PHE 15 2.444 -10.933 10.059 96 HZ PHE 15 HZ PHE 15 0.906 -9.601 8.636 97 H ALA 16 H ALA 16 5.335 -16.286 5.963 98 HA ALA 16 HA ALA 16 6.869 -15.524 3.706 99 HB1 ALA 16 1HB ALA 16 7.749 -16.587 5.757 100 HB2 ALA 16 2HB ALA 16 6.995 -18.124 5.283 101 HB3 ALA 16 3HB ALA 16 8.280 -17.391 4.276 102 H HIS 17 H HIS 17 4.439 -18.043 4.018 103 HA HIS 17 HA HIS 17 4.549 -19.148 1.314 104 HB3 HIS 17 2HB HIS 17 2.280 -19.942 1.893 105 HD1 HIS 17 1HD HIS 17 2.922 -22.411 1.922 106 HD2 HIS 17 2HD HIS 17 4.412 -20.234 5.227 107 HE1 HIS 17 1HE HIS 17 3.816 -24.108 3.572 108 H ASP 18 H ASP 18 4.652 -17.194 0.079 109 HA ASP 18 HA ASP 18 3.878 -14.787 0.855 110 HB3 ASP 18 2HB ASP 18 5.460 -14.962 -0.905 111 H ALA 19 H ALA 19 1.479 -16.731 -0.042 112 HA ALA 19 HA ALA 19 -0.049 -14.828 -1.662 113 HB1 ALA 19 1HB ALA 19 0.352 -17.143 -2.241 114 HB2 ALA 19 2HB ALA 19 -0.627 -17.687 -0.865 115 HB3 ALA 19 3HB ALA 19 -1.395 -16.759 -2.190 116 H GLU 20 H GLU 20 0.315 -14.639 1.431 117 HA GLU 20 HA GLU 20 -2.496 -13.756 1.968 118 HB3 GLU 20 2HB GLU 20 -2.161 -14.312 4.317 119 HG3 GLU 20 2HG GLU 20 -1.448 -16.796 2.700 120 H LEU 21 H LEU 21 0.949 -13.207 2.120 121 HA LEU 21 HA LEU 21 0.926 -10.801 3.630 122 HB3 LEU 21 2HB LEU 21 2.958 -12.034 1.696 123 HG LEU 21 HG LEU 21 3.579 -9.704 1.990 124 HD11 LEU 21 1HD1 LEU 21 3.644 -10.173 4.995 125 HD12 LEU 21 2HD1 LEU 21 2.370 -9.231 4.149 126 HD13 LEU 21 3HD1 LEU 21 4.043 -8.706 4.135 127 HD21 LEU 21 3HD2 LEU 21 5.236 -11.657 3.645 128 HD22 LEU 21 1HD2 LEU 21 5.799 -10.075 3.122 129 HD23 LEU 21 2HD2 LEU 21 5.396 -11.321 1.913 130 H ASN 22 H ASN 22 1.133 -11.571 0.238 131 HA ASN 22 HA ASN 22 1.319 -8.972 -0.860 132 HB3 ASN 22 2HB ASN 22 -0.232 -10.045 -2.740 133 HD21 ASN 22 1HD2 ASN 22 1.549 -12.471 -3.492 134 HD22 ASN 22 2HD2 ASN 22 3.043 -11.727 -3.959 135 H PHE 23 H PHE 23 -1.581 -10.684 0.295 136 HA PHE 23 HA PHE 23 -3.544 -8.858 -0.557 137 HB3 PHE 23 2HB PHE 23 -3.472 -10.628 1.902 138 HD1 PHE 23 1HD PHE 23 -5.202 -9.130 3.028 139 HD2 PHE 23 2HD PHE 23 -5.924 -11.156 -0.708 140 HE1 PHE 23 1HE PHE 23 -7.635 -8.786 3.302 141 HE2 PHE 23 2HE PHE 23 -8.355 -10.921 -0.362 142 HZ PHE 23 HZ PHE 23 -9.235 -9.666 1.595 143 H LYS 24 H LYS 24 -1.583 -8.853 2.490 144 HA LYS 24 HA LYS 24 -2.965 -6.547 3.597 145 HB3 LYS 24 2HB LYS 24 -1.197 -6.758 5.274 146 HG3 LYS 24 2HG LYS 24 -1.163 -9.402 5.574 147 HD3 LYS 24 2HD LYS 24 -3.369 -9.381 6.596 148 HE3 LYS 24 2HE LYS 24 -1.825 -6.903 7.334 149 HZ1 LYS 24 3HZ LYS 24 -3.638 -7.455 8.807 150 HZ2 LYS 24 1HZ LYS 24 -2.247 -7.912 9.553 151 HZ3 LYS 24 2HZ LYS 24 -3.219 -9.039 8.858 152 H ALA 25 H ALA 25 0.150 -7.246 2.017 153 HA ALA 25 HA ALA 25 1.376 -4.752 2.311 154 HB1 ALA 25 1HB ALA 25 2.875 -5.564 0.539 155 HB2 ALA 25 2HB ALA 25 2.499 -6.873 1.683 156 HB3 ALA 25 3HB ALA 25 1.712 -6.829 0.092 157 H GLU 26 H GLU 26 -0.691 -6.037 -0.347 158 HA GLU 26 HA GLU 26 -0.284 -4.025 -2.169 159 HB3 GLU 26 2HB GLU 26 -1.417 -6.286 -2.491 160 HG3 GLU 26 2HG GLU 26 -3.374 -5.644 -0.768 161 H ALA 27 H ALA 27 -2.594 -4.099 0.504 162 HA ALA 27 HA ALA 27 -3.782 -1.553 -0.197 163 HB1 ALA 27 1HB ALA 27 -4.876 -1.932 1.998 164 HB2 ALA 27 2HB ALA 27 -4.891 -3.363 0.920 165 HB3 ALA 27 3HB ALA 27 -3.748 -3.309 2.265 166 H ARG 28 H ARG 28 -1.265 -2.652 2.148 167 HA ARG 28 HA ARG 28 -0.874 -0.147 3.389 168 HB3 ARG 28 2HB ARG 28 1.366 -2.188 3.105 169 HG3 ARG 28 2HG ARG 28 1.325 -1.816 5.667 170 HD3 ARG 28 2HD ARG 28 2.277 0.603 4.086 171 HE ARG 28 HE ARG 28 3.639 -0.502 6.477 172 HH11 ARG 28 1HH1 ARG 28 1.707 2.214 5.240 173 HH12 ARG 28 2HH1 ARG 28 2.041 3.196 6.648 174 HH21 ARG 28 1HH2 ARG 28 4.057 0.736 8.169 175 HH22 ARG 28 2HH2 ARG 28 3.521 2.394 8.302 176 H ARG 29 H ARG 29 0.701 -1.435 0.404 177 HA ARG 29 HA ARG 29 2.598 0.660 0.119 178 HB3 ARG 29 2HB ARG 29 2.793 -1.232 -1.395 179 HG3 ARG 29 2HG ARG 29 0.024 -0.462 -2.311 180 HD3 ARG 29 2HD ARG 29 1.866 -2.411 -3.694 181 HE ARG 29 HE ARG 29 -0.137 -3.357 -4.157 182 HH11 ARG 29 1HH1 ARG 29 -0.502 0.134 -4.495 183 HH12 ARG 29 2HH1 ARG 29 -2.172 0.123 -4.807 184 HH21 ARG 29 1HH2 ARG 29 -2.669 -3.203 -4.170 185 HH22 ARG 29 2HH2 ARG 29 -3.259 -2.014 -5.210 186 H ASN 30 H ASN 30 -0.902 0.728 -0.681 187 HA ASN 30 HA ASN 30 -0.788 3.117 -2.244 188 HB3 ASN 30 2HB ASN 30 -3.150 3.431 -1.511 189 HD21 ASN 30 1HD2 ASN 30 -4.280 0.456 -1.542 190 HD22 ASN 30 2HD2 ASN 30 -4.237 0.093 -3.201 191 H ARG 31 H ARG 31 -1.241 2.524 1.233 192 HA ARG 31 HA ARG 31 -1.646 5.141 2.155 193 HB3 ARG 31 2HB ARG 31 0.006 3.005 3.583 194 HG3 ARG 31 2HG ARG 31 -1.946 5.117 4.542 195 HD3 ARG 31 2HD ARG 31 -0.753 2.747 6.068 196 HE ARG 31 HE ARG 31 -1.225 5.236 7.041 197 HH11 ARG 31 1HH1 ARG 31 -2.829 2.055 7.668 198 HH12 ARG 31 2HH1 ARG 31 -3.319 2.511 9.252 199 HH21 ARG 31 1HH2 ARG 31 -1.806 5.720 9.171 200 HH22 ARG 31 2HH2 ARG 31 -2.872 4.693 10.068 201 H LEU 32 H LEU 32 1.404 3.471 1.393 202 HA LEU 32 HA LEU 32 3.160 5.602 2.249 203 HB3 LEU 32 2HB LEU 32 4.908 4.395 1.103 204 HG LEU 32 HG LEU 32 2.942 2.393 2.270 205 HD11 LEU 32 1HD1 LEU 32 5.873 1.844 1.908 206 HD12 LEU 32 2HD1 LEU 32 4.695 1.450 0.633 207 HD13 LEU 32 3HD1 LEU 32 4.540 0.729 2.231 208 HD21 LEU 32 3HD2 LEU 32 4.424 2.462 4.249 209 HD22 LEU 32 1HD2 LEU 32 3.687 4.040 3.922 210 HD23 LEU 32 2HD2 LEU 32 5.379 3.742 3.482 211 H LEU 33 H LEU 33 1.998 4.524 -0.994 212 HA LEU 33 HA LEU 33 3.362 6.485 -2.498 213 HB3 LEU 33 2HB LEU 33 0.693 5.332 -3.353 214 HG LEU 33 HG LEU 33 2.001 6.603 -5.075 215 HD11 LEU 33 1HD1 LEU 33 4.323 6.273 -4.375 216 HD12 LEU 33 2HD1 LEU 33 4.132 5.490 -5.930 217 HD13 LEU 33 3HD1 LEU 33 4.143 4.493 -4.490 218 HD21 LEU 33 3HD2 LEU 33 0.630 4.710 -5.825 219 HD22 LEU 33 1HD2 LEU 33 1.951 3.569 -5.439 220 HD23 LEU 33 2HD2 LEU 33 2.150 4.737 -6.744 221 H GLY 34 H GLY 34 0.222 6.612 -0.815 222 HA2 GLY 34 1HA GLY 34 -0.759 9.064 -1.775 223 HA3 GLY 34 2HA GLY 34 -1.084 8.343 -0.199 224 H GLU 35 H GLU 35 1.738 8.439 0.807 225 HA GLU 35 HA GLU 35 1.790 11.256 1.585 226 HB3 GLU 35 2HB GLU 35 4.023 10.502 2.659 227 HG3 GLU 35 2HG GLU 35 1.719 8.917 3.773 228 H TRP 36 H TRP 36 3.122 9.498 -1.083 229 HA TRP 36 HA TRP 36 5.209 11.527 -1.652 230 HB3 TRP 36 2HB TRP 36 4.132 9.087 -3.067 231 HD1 TRP 36 HD TRP 36 7.275 11.182 -3.936 232 HE1 TRP 36 1HE TRP 36 7.417 11.388 -6.460 233 HE3 TRP 36 3HE TRP 36 2.795 9.001 -5.150 234 HZ2 TRP 36 2HZ TRP 36 5.634 10.943 -8.731 235 HZ3 TRP 36 3HZ TRP 36 2.028 8.971 -7.526 236 HH2 TRP 36 HH TRP 36 3.432 9.956 -9.304 237 H ALA 37 H ALA 37 2.137 10.383 -3.108 238 HA ALA 37 HA ALA 37 1.884 12.436 -4.999 239 HB1 ALA 37 1HB ALA 37 0.617 10.436 -5.289 240 HB2 ALA 37 2HB ALA 37 -0.118 10.559 -3.678 241 HB3 ALA 37 3HB ALA 37 -0.598 11.691 -4.957 242 H ALA 38 H ALA 38 0.548 12.368 -1.629 243 HA ALA 38 HA ALA 38 -1.078 14.614 -1.793 244 HB1 ALA 38 1HB ALA 38 0.726 13.768 0.516 245 HB2 ALA 38 2HB ALA 38 -0.688 14.852 0.604 246 HB3 ALA 38 3HB ALA 38 -0.910 13.149 0.183 247 H GLY 39 H GLY 39 2.479 14.508 -1.331 248 HA2 GLY 39 1HA GLY 39 2.844 17.321 -0.933 249 HA3 GLY 39 2HA GLY 39 4.080 16.141 -1.385 250 H LEU 40 H LEU 40 2.245 15.451 -3.794 251 HA LEU 40 HA LEU 40 3.479 17.400 -5.614 252 HB3 LEU 40 2HB LEU 40 2.613 15.768 -7.346 253 HG LEU 40 HG LEU 40 4.193 14.492 -5.067 254 HD11 LEU 40 1HD1 LEU 40 3.343 12.784 -6.598 255 HD12 LEU 40 2HD1 LEU 40 5.051 13.068 -6.980 256 HD13 LEU 40 3HD1 LEU 40 3.792 13.767 -8.005 257 HD21 LEU 40 3HD2 LEU 40 6.170 15.055 -6.348 258 HD22 LEU 40 1HD2 LEU 40 5.322 16.537 -5.972 259 HD23 LEU 40 2HD2 LEU 40 5.190 15.849 -7.614 260 H LEU 41 H LEU 41 0.185 16.348 -4.635 261 HA LEU 41 HA LEU 41 -1.228 18.358 -6.172 262 HB3 LEU 41 2HB LEU 41 -2.827 18.331 -4.208 263 HG LEU 41 HG LEU 41 -3.862 16.319 -4.597 264 HD11 LEU 41 1HD1 LEU 41 -3.706 17.672 -6.712 265 HD12 LEU 41 2HD1 LEU 41 -4.040 15.931 -6.880 266 HD13 LEU 41 3HD1 LEU 41 -2.409 16.585 -7.223 267 HD21 LEU 41 3HD2 LEU 41 -1.253 15.142 -5.345 268 HD22 LEU 41 1HD2 LEU 41 -2.793 14.331 -5.575 269 HD23 LEU 41 2HD2 LEU 41 -2.233 14.764 -3.935 270 H GLY 42 H GLY 42 0.497 18.322 -3.111 271 HA2 GLY 42 1HA GLY 42 1.688 20.151 -2.134 272 HA3 GLY 42 2HA GLY 42 0.715 21.305 -3.077 273 H LYS 43 H LYS 43 -0.415 18.432 -1.287 274 HA LYS 43 HA LYS 43 -2.244 19.988 0.280 275 HB3 LYS 43 2HB LYS 43 -2.566 17.899 1.563 276 HG3 LYS 43 2HG LYS 43 -3.262 16.273 0.023 277 HD3 LYS 43 2HD LYS 43 -3.856 18.945 -1.304 278 HE3 LYS 43 2HE LYS 43 -4.616 16.216 -1.843 279 HZ1 LYS 43 3HZ LYS 43 -6.914 17.957 -1.243 280 HZ2 LYS 43 1HZ LYS 43 -6.484 16.716 -0.240 281 HZ3 LYS 43 2HZ LYS 43 -6.962 16.425 -1.784 282 H THR 44 H THR 44 -2.107 20.295 2.586 283 HA THR 44 HA THR 44 0.532 19.926 3.872 284 HB THR 44 HB THR 44 0.500 22.421 4.492 285 HG1 THR 44 1HG THR 44 -1.559 23.004 3.639 286 HG21 THR 44 3HG2 THR 44 1.835 23.024 2.684 287 HG22 THR 44 1HG2 THR 44 0.958 22.011 1.520 288 HG23 THR 44 2HG2 THR 44 2.018 21.273 2.732 289 H GLY 45 H GLY 45 0.513 20.297 6.226 290 HA2 GLY 45 1HA GLY 45 -0.392 20.774 8.258 291 HA3 GLY 45 2HA GLY 45 -1.916 21.270 7.504 292 H ASP 46 H ASP 46 -3.517 19.712 7.230 293 HA ASP 46 HA ASP 46 -2.976 16.905 8.158 294 HB3 ASP 46 2HB ASP 46 -4.267 18.200 9.841 295 H ASP 47 H ASP 47 -4.280 18.887 5.795 296 HA ASP 47 HA ASP 47 -5.998 17.261 4.361 297 HB3 ASP 47 2HB ASP 47 -4.580 18.538 2.343 298 H ALA 48 H ALA 48 -2.438 17.163 4.412 299 HA ALA 48 HA ALA 48 -2.227 15.379 2.121 300 HB1 ALA 48 1HB ALA 48 0.120 15.261 2.635 301 HB2 ALA 48 2HB ALA 48 -0.338 16.939 3.001 302 HB3 ALA 48 3HB ALA 48 -0.120 15.733 4.290 303 H ARG 49 H ARG 49 -2.466 15.119 5.647 304 HA ARG 49 HA ARG 49 -1.918 12.279 5.760 305 HB3 ARG 49 2HB ARG 49 -3.244 12.385 7.886 306 HG3 ARG 49 2HG ARG 49 -1.292 14.700 7.969 307 HD3 ARG 49 2HD ARG 49 -2.109 12.384 9.793 308 HE ARG 49 HE ARG 49 -0.521 14.468 10.943 309 HH11 ARG 49 1HH1 ARG 49 -0.215 11.341 9.195 310 HH12 ARG 49 2HH1 ARG 49 1.263 10.911 9.961 311 HH21 ARG 49 1HH2 ARG 49 1.411 13.761 12.057 312 HH22 ARG 49 2HH2 ARG 49 2.255 12.358 11.566 313 H ALA 50 H ALA 50 -5.017 14.128 5.582 314 HA ALA 50 HA ALA 50 -6.725 11.892 5.483 315 HB1 ALA 50 1HB ALA 50 -7.053 14.575 4.079 316 HB2 ALA 50 2HB ALA 50 -8.344 13.407 4.399 317 HB3 ALA 50 3HB ALA 50 -7.522 14.217 5.750 318 H TYR 51 H TYR 51 -5.137 13.634 2.775 319 HA TYR 51 HA TYR 51 -6.061 12.085 0.638 320 HB3 TYR 51 2HB TYR 51 -3.338 13.406 0.955 321 HD1 TYR 51 2HD TYR 51 -2.474 11.547 -0.645 322 HD2 TYR 51 1HD TYR 51 -5.583 14.346 -1.708 323 HE1 TYR 51 2HE TYR 51 -2.211 10.947 -2.998 324 HE2 TYR 51 1HE TYR 51 -5.174 13.898 -4.108 325 HH TYR 51 HH TYR 51 -4.159 12.585 -5.569 326 H ALA 52 H ALA 52 -3.118 11.539 2.654 327 HA ALA 52 HA ALA 52 -2.250 9.190 1.354 328 HB1 ALA 52 1HB ALA 52 -1.909 9.931 4.294 329 HB2 ALA 52 2HB ALA 52 -0.892 8.821 3.354 330 HB3 ALA 52 3HB ALA 52 -0.899 10.551 2.959 331 H LEU 53 H LEU 53 -4.964 9.559 3.502 332 HA LEU 53 HA LEU 53 -4.883 6.711 4.319 333 HB3 LEU 53 2HB LEU 53 -6.649 7.475 5.951 334 HG LEU 53 HG LEU 53 -3.907 8.801 5.889 335 HD11 LEU 53 1HD1 LEU 53 -4.251 9.692 8.088 336 HD12 LEU 53 2HD1 LEU 53 -5.890 8.975 8.177 337 HD13 LEU 53 3HD1 LEU 53 -5.531 10.293 7.055 338 HD21 LEU 53 3HD2 LEU 53 -3.950 6.376 6.309 339 HD22 LEU 53 1HD2 LEU 53 -5.059 6.631 7.670 340 HD23 LEU 53 2HD2 LEU 53 -3.405 7.283 7.720 341 H THR 54 H THR 54 -7.040 9.002 2.641 342 HA THR 54 HA THR 54 -9.309 7.364 2.529 343 HB THR 54 HB THR 54 -9.430 9.691 1.984 344 HG1 THR 54 1HG THR 54 -10.500 9.467 -0.152 345 HG21 THR 54 3HG2 THR 54 -7.894 9.141 -0.598 346 HG22 THR 54 1HG2 THR 54 -7.270 10.014 0.817 347 HG23 THR 54 2HG2 THR 54 -8.620 10.683 -0.081 348 H VAL 55 H VAL 55 -6.469 7.293 0.344 349 HA VAL 55 HA VAL 55 -7.546 5.527 -1.551 350 HB VAL 55 HB VAL 55 -5.570 6.891 -1.855 351 HG11 VAL 55 1HG1 VAL 55 -4.440 6.669 0.303 352 HG12 VAL 55 2HG1 VAL 55 -4.118 4.950 -0.006 353 HG13 VAL 55 3HG1 VAL 55 -3.358 6.197 -0.999 354 HG21 VAL 55 3HG2 VAL 55 -4.244 5.294 -3.156 355 HG22 VAL 55 1HG2 VAL 55 -5.057 3.939 -2.340 356 HG23 VAL 55 2HG2 VAL 55 -5.985 5.019 -3.345 357 H VAL 56 H VAL 56 -6.491 4.776 1.734 358 HA VAL 56 HA VAL 56 -6.145 1.915 0.996 359 HB VAL 56 HB VAL 56 -4.131 2.832 1.661 360 HG11 VAL 56 1HG1 VAL 56 -4.695 4.869 2.824 361 HG12 VAL 56 2HG1 VAL 56 -5.451 3.963 4.149 362 HG13 VAL 56 3HG1 VAL 56 -3.722 3.871 3.896 363 HG21 VAL 56 3HG2 VAL 56 -3.464 1.396 3.461 364 HG22 VAL 56 1HG2 VAL 56 -5.110 1.291 4.088 365 HG23 VAL 56 2HG2 VAL 56 -4.702 0.565 2.520 366 H THR 57 H THR 57 -8.470 1.948 0.920 367 HA THR 57 HA THR 57 -9.318 0.538 3.220 368 HB THR 57 HB THR 57 -9.800 2.941 3.909 369 HG1 THR 57 1HG THR 57 -12.103 1.340 3.935 370 HG21 THR 57 3HG2 THR 57 -11.797 4.032 3.207 371 HG22 THR 57 1HG2 THR 57 -12.202 2.733 2.075 372 HG23 THR 57 2HG2 THR 57 -10.779 3.766 1.782 373 H SER 58 H SER 58 -10.101 1.954 0.036 374 HA SER 58 HA SER 58 -11.287 1.249 -1.683 375 HB3 SER 58 2HB SER 58 -11.157 -1.095 -2.313 376 HG SER 58 HG SER 58 -9.240 0.006 -2.574 377 H ASP 59 H ASP 59 -13.151 -1.230 -1.670 378 HA ASP 59 HA ASP 59 -15.088 -0.844 0.306 379 HB3 ASP 59 2HB ASP 59 -16.591 -0.113 -2.040 380 H PHE 60 H PHE 60 -17.200 -2.014 -0.732 381 HA PHE 60 HA PHE 60 -16.660 -4.662 -0.970 382 HB3 PHE 60 2HB PHE 60 -19.005 -4.486 -2.409 383 HD1 PHE 60 2HD PHE 60 -19.099 -6.557 -1.090 384 HD2 PHE 60 1HD PHE 60 -19.331 -2.670 0.777 385 HE1 PHE 60 2HE PHE 60 -19.980 -7.597 0.965 386 HE2 PHE 60 1HE PHE 60 -20.231 -3.724 2.824 387 HZ PHE 60 HZ PHE 60 -20.562 -6.189 2.941 388 H ASP 61 H ASP 61 -16.753 -2.475 -3.790 389 HA ASP 61 HA ASP 61 -16.768 -4.589 -5.744 390 HB3 ASP 61 2HB ASP 61 -15.454 -2.018 -6.482 391 H GLU 62 H GLU 62 -14.291 -3.203 -3.847 392 HA GLU 62 HA GLU 62 -12.099 -2.961 -3.796 393 HB3 GLU 62 2HB GLU 62 -10.853 -5.180 -3.961 394 HG3 GLU 62 2HG GLU 62 -13.348 -5.259 -2.241 395 HA PRO 63 HA PRO 63 -10.298 -1.683 -7.454 396 HB3 PRO 63 2HB PRO 63 -8.713 -0.614 -6.150 397 HG3 PRO 63 2HG PRO 63 -7.619 -1.741 -4.371 398 HD3 PRO 63 2HD PRO 63 -9.900 -1.982 -3.946 399 H GLY 64 H GLY 64 -8.926 -2.097 -9.361 400 HA2 GLY 64 1HA GLY 64 -8.747 -4.877 -10.121 401 HA3 GLY 64 2HA GLY 64 -8.258 -3.474 -11.066 402 H ASP 65 H ASP 65 -6.655 -5.478 -11.320 403 HA ASP 65 HA ASP 65 -4.551 -6.153 -9.697 404 HB3 ASP 65 2HB ASP 65 -3.179 -6.076 -11.959 405 H GLU 66 H GLU 66 -4.462 -3.453 -12.013 406 HA GLU 66 HA GLU 66 -2.101 -2.247 -10.653 407 HB3 GLU 66 2HB GLU 66 -1.350 -3.897 -12.190 408 HG3 GLU 66 2HG GLU 66 -2.479 -2.412 -14.566 409 H ASP 67 H ASP 67 -5.023 -1.578 -11.140 410 HA ASP 67 HA ASP 67 -5.272 0.497 -13.119 411 HB3 ASP 67 2HB ASP 67 -7.375 0.653 -11.151 412 H VAL 68 H VAL 68 -4.120 0.418 -9.965 413 HA VAL 68 HA VAL 68 -4.592 3.017 -8.929 414 HB VAL 68 HB VAL 68 -2.553 0.809 -8.545 415 HG11 VAL 68 1HG1 VAL 68 -2.960 3.253 -6.723 416 HG12 VAL 68 2HG1 VAL 68 -1.964 1.833 -6.342 417 HG13 VAL 68 3HG1 VAL 68 -1.492 2.906 -7.650 418 HG21 VAL 68 3HG2 VAL 68 -4.918 0.332 -7.918 419 HG22 VAL 68 1HG2 VAL 68 -3.872 0.358 -6.495 420 HG23 VAL 68 2HG2 VAL 68 -4.895 1.762 -6.878 421 H PHE 69 H PHE 69 -2.457 1.900 -11.533 422 HA PHE 69 HA PHE 69 -0.713 4.211 -11.582 423 HB3 PHE 69 2HB PHE 69 -1.752 2.317 -13.730 424 HD1 PHE 69 1HD PHE 69 1.644 3.993 -13.767 425 HD2 PHE 69 2HD PHE 69 -2.340 3.847 -15.514 426 HE1 PHE 69 1HE PHE 69 2.339 5.477 -15.526 427 HE2 PHE 69 2HE PHE 69 -1.565 5.289 -17.338 428 HZ PHE 69 HZ PHE 69 0.791 6.105 -17.380 429 H ARG 70 H ARG 70 -3.773 3.503 -13.370 430 HA ARG 70 HA ARG 70 -3.970 6.057 -14.504 431 HB3 ARG 70 2HB ARG 70 -6.365 4.337 -13.810 432 HG3 ARG 70 2HG ARG 70 -5.631 5.736 -16.374 433 HD3 ARG 70 2HD ARG 70 -8.477 5.600 -15.623 434 HE ARG 70 HE ARG 70 -8.107 5.876 -17.913 435 HH11 ARG 70 1HH1 ARG 70 -6.954 2.685 -16.986 436 HH12 ARG 70 2HH1 ARG 70 -6.057 2.402 -18.434 437 HH21 ARG 70 1HH2 ARG 70 -7.162 5.506 -19.890 438 HH22 ARG 70 2HH2 ARG 70 -6.078 4.173 -20.108 439 H LYS 71 H LYS 71 -5.338 4.859 -11.419 440 HA LYS 71 HA LYS 71 -7.058 7.099 -11.026 441 HB3 LYS 71 2HB LYS 71 -5.843 5.411 -8.805 442 HG3 LYS 71 2HG LYS 71 -8.599 6.709 -9.166 443 HD3 LYS 71 2HD LYS 71 -8.746 6.239 -6.659 444 HE3 LYS 71 2HE LYS 71 -8.976 3.637 -6.925 445 HZ1 LYS 71 3HZ LYS 71 -10.738 5.484 -8.401 446 HZ2 LYS 71 1HZ LYS 71 -10.884 4.982 -6.830 447 HZ3 LYS 71 2HZ LYS 71 -11.110 3.922 -8.007 448 H LEU 72 H LEU 72 -3.705 6.485 -9.955 449 HA LEU 72 HA LEU 72 -3.413 9.067 -8.639 450 HB3 LEU 72 2HB LEU 72 -0.894 8.303 -9.026 451 HG LEU 72 HG LEU 72 -1.069 6.534 -7.214 452 HD11 LEU 72 1HD1 LEU 72 -1.274 8.221 -5.504 453 HD12 LEU 72 2HD1 LEU 72 -2.242 9.272 -6.573 454 HD13 LEU 72 3HD1 LEU 72 -0.530 8.963 -6.915 455 HD21 LEU 72 3HD2 LEU 72 -3.421 5.845 -7.524 456 HD22 LEU 72 1HD2 LEU 72 -3.955 7.437 -6.933 457 HD23 LEU 72 2HD2 LEU 72 -3.048 6.340 -5.875 458 H ALA 73 H ALA 73 -2.636 7.774 -11.920 459 HA ALA 73 HA ALA 73 -1.157 10.012 -12.812 460 HB1 ALA 73 1HB ALA 73 -2.947 8.149 -14.444 461 HB2 ALA 73 2HB ALA 73 -1.628 9.168 -15.062 462 HB3 ALA 73 3HB ALA 73 -1.261 7.802 -13.990 463 H ALA 74 H ALA 74 -4.693 9.436 -12.758 464 HA ALA 74 HA ALA 74 -5.406 11.791 -14.205 465 HB1 ALA 74 1HB ALA 74 -7.585 11.582 -12.992 466 HB2 ALA 74 2HB ALA 74 -7.037 10.033 -13.679 467 HB3 ALA 74 3HB ALA 74 -6.861 10.354 -11.936 468 H ASP 75 H ASP 75 -4.479 11.339 -10.818 469 HA ASP 75 HA ASP 75 -5.438 13.926 -9.960 470 HB3 ASP 75 2HB ASP 75 -3.458 13.026 -8.115 471 H LEU 76 H LEU 76 -2.124 12.593 -10.310 472 HA LEU 76 HA LEU 76 -0.960 15.268 -10.302 473 HB3 LEU 76 2HB LEU 76 1.150 13.983 -10.411 474 HG LEU 76 HG LEU 76 1.303 13.259 -8.351 475 HD11 LEU 76 1HD1 LEU 76 -1.445 14.476 -7.869 476 HD12 LEU 76 2HD1 LEU 76 0.054 15.418 -8.111 477 HD13 LEU 76 3HD1 LEU 76 -0.091 14.277 -6.766 478 HD21 LEU 76 3HD2 LEU 76 -0.330 11.922 -7.096 479 HD22 LEU 76 1HD2 LEU 76 0.283 11.185 -8.566 480 HD23 LEU 76 2HD2 LEU 76 -1.362 11.889 -8.526 481 H GLU 77 H GLU 77 -2.733 14.531 -12.655 482 HA GLU 77 HA GLU 77 -1.084 14.113 -14.920 483 HB3 GLU 77 2HB GLU 77 -3.603 15.836 -14.812 484 HG3 GLU 77 2HG GLU 77 -2.349 14.130 -17.024 485 H GLY 78 H GLY 78 0.510 15.347 -15.588 486 HA2 GLY 78 1HA GLY 78 1.667 17.249 -16.238 487 HA3 GLY 78 2HA GLY 78 0.523 18.269 -15.371 488 H LYS 79 H LYS 79 1.277 16.043 -13.049 489 HA LYS 79 HA LYS 79 3.606 17.642 -12.108 490 HB3 LYS 79 2HB LYS 79 2.819 17.314 -9.884 491 HG3 LYS 79 2HG LYS 79 0.147 17.990 -10.913 492 HD3 LYS 79 2HD LYS 79 2.267 19.921 -9.925 493 HE3 LYS 79 2HE LYS 79 0.335 20.889 -8.698 494 HZ1 LYS 79 3HZ LYS 79 -0.961 21.668 -10.572 495 HZ2 LYS 79 1HZ LYS 79 -0.270 20.595 -11.596 496 HZ3 LYS 79 2HZ LYS 79 0.624 21.806 -10.909 497 H ALA 80 H ALA 80 2.317 14.257 -12.303 498 HA ALA 80 HA ALA 80 5.156 13.418 -12.179 499 HB1 ALA 80 1HB ALA 80 4.321 12.914 -9.953 500 HB2 ALA 80 2HB ALA 80 2.890 12.094 -10.629 501 HB3 ALA 80 3HB ALA 80 4.515 11.418 -10.881 502 H ASP 81 H ASP 81 5.503 12.677 -14.154 503 HA ASP 81 HA ASP 81 3.424 11.632 -15.901 504 HB3 ASP 81 2HB ASP 81 5.244 11.269 -17.466 505 H GLU 82 H GLU 82 3.830 9.459 -16.990 506 HA GLU 82 HA GLU 82 3.629 7.328 -15.283 507 HB3 GLU 82 2HB GLU 82 4.446 7.475 -18.198 508 HG3 GLU 82 2HG GLU 82 4.300 5.043 -16.423 509 H GLU 83 H GLU 83 6.650 8.444 -16.855 510 HA GLU 83 HA GLU 83 8.331 6.428 -16.036 511 HB3 GLU 83 2HB GLU 83 8.862 9.413 -16.237 512 HG3 GLU 83 2HG GLU 83 10.710 7.089 -15.813 513 H THR 84 H THR 84 7.102 9.035 -14.012 514 HA THR 84 HA THR 84 8.859 8.358 -11.741 515 HB THR 84 HB THR 84 6.585 10.406 -12.116 516 HG1 THR 84 1HG THR 84 8.351 11.879 -12.467 517 HG21 THR 84 3HG2 THR 84 7.181 9.926 -9.769 518 HG22 THR 84 1HG2 THR 84 7.564 11.588 -10.236 519 HG23 THR 84 2HG2 THR 84 8.860 10.376 -10.102 520 H ILE 85 H ILE 85 5.396 8.199 -12.707 521 HA ILE 85 HA ILE 85 4.363 7.290 -10.245 522 HB ILE 85 HB ILE 85 3.542 6.581 -13.057 523 HG13 ILE 85 2HG1 ILE 85 3.558 9.088 -12.384 524 HG21 ILE 85 1HG2 ILE 85 1.551 6.607 -10.791 525 HG22 ILE 85 2HG2 ILE 85 1.523 5.678 -12.260 526 HG23 ILE 85 3HG2 ILE 85 2.562 5.171 -10.904 527 HD11 ILE 85 3HD1 ILE 85 1.316 9.580 -13.240 528 HD12 ILE 85 1HD1 ILE 85 1.964 8.221 -14.164 529 HD13 ILE 85 2HD1 ILE 85 0.769 7.938 -12.879 530 H ARG 86 H ARG 86 5.317 5.450 -13.163 531 HA ARG 86 HA ARG 86 5.137 2.839 -12.011 532 HB3 ARG 86 2HB ARG 86 6.724 2.573 -14.261 533 HG3 ARG 86 2HG ARG 86 4.530 2.495 -15.568 534 HD3 ARG 86 2HD ARG 86 3.490 0.794 -13.677 535 HE ARG 86 HE ARG 86 3.974 -0.199 -15.648 536 HH11 ARG 86 1HH1 ARG 86 7.139 0.534 -14.049 537 HH12 ARG 86 2HH1 ARG 86 7.969 -0.583 -15.100 538 HH21 ARG 86 1HH2 ARG 86 5.182 -1.866 -16.692 539 HH22 ARG 86 2HH2 ARG 86 6.931 -1.808 -16.586 540 H ALA 87 H ALA 87 7.570 5.246 -11.709 541 HA ALA 87 HA ALA 87 9.580 3.297 -10.823 542 HB1 ALA 87 1HB ALA 87 10.354 5.419 -11.688 543 HB2 ALA 87 2HB ALA 87 9.517 6.317 -10.409 544 HB3 ALA 87 3HB ALA 87 10.854 5.227 -10.005 545 H LYS 88 H LYS 88 7.870 5.862 -9.031 546 HA LYS 88 HA LYS 88 8.519 4.870 -6.439 547 HB3 LYS 88 2HB LYS 88 6.509 6.295 -5.643 548 HG3 LYS 88 2HG LYS 88 7.394 8.461 -6.435 549 HD3 LYS 88 2HD LYS 88 8.948 6.827 -4.841 550 HE3 LYS 88 2HE LYS 88 10.537 7.714 -7.288 551 HZ1 LYS 88 3HZ LYS 88 11.676 8.684 -5.432 552 HZ2 LYS 88 1HZ LYS 88 12.516 7.395 -5.983 553 HZ3 LYS 88 2HZ LYS 88 11.671 7.264 -4.595 554 H MET 89 H MET 89 5.757 4.011 -8.541 555 HA MET 89 HA MET 89 4.250 2.728 -6.578 556 HB3 MET 89 2HB MET 89 3.782 3.323 -9.126 557 HG3 MET 89 2HG MET 89 4.555 0.384 -9.232 558 HE1 MET 89 3HE MET 89 1.879 2.259 -12.444 559 HE2 MET 89 1HE MET 89 1.685 2.834 -10.778 560 HE3 MET 89 2HE MET 89 3.189 3.134 -11.650 561 H VAL 90 H VAL 90 6.979 1.495 -8.615 562 HA VAL 90 HA VAL 90 6.941 -1.224 -7.713 563 HB VAL 90 HB VAL 90 9.012 0.590 -9.041 564 HG11 VAL 90 1HG1 VAL 90 9.139 -2.436 -8.623 565 HG12 VAL 90 2HG1 VAL 90 10.220 -1.499 -9.670 566 HG13 VAL 90 3HG1 VAL 90 10.243 -1.234 -7.927 567 HG21 VAL 90 3HG2 VAL 90 7.419 -1.689 -10.284 568 HG22 VAL 90 1HG2 VAL 90 6.920 0.008 -10.358 569 HG23 VAL 90 2HG2 VAL 90 8.447 -0.464 -11.084 570 H GLU 91 H GLU 91 8.826 1.704 -6.887 571 HA GLU 91 HA GLU 91 10.494 0.552 -4.993 572 HB3 GLU 91 2HB GLU 91 9.600 3.455 -4.974 573 HG3 GLU 91 2HG GLU 91 12.219 1.943 -4.566 574 H LEU 92 H LEU 92 7.166 1.034 -4.591 575 HA LEU 92 HA LEU 92 7.419 0.863 -1.609 576 HB3 LEU 92 2HB LEU 92 5.049 1.766 -1.675 577 HG LEU 92 HG LEU 92 7.228 3.566 -2.839 578 HD11 LEU 92 1HD1 LEU 92 5.704 5.148 -2.901 579 HD12 LEU 92 2HD1 LEU 92 5.573 5.098 -1.157 580 HD13 LEU 92 3HD1 LEU 92 4.463 4.117 -2.131 581 HD21 LEU 92 3HD2 LEU 92 7.593 4.316 -0.476 582 HD22 LEU 92 1HD2 LEU 92 8.118 2.676 -0.775 583 HD23 LEU 92 2HD2 LEU 92 6.585 2.980 0.069 584 H ARG 93 H ARG 93 6.835 -0.985 -4.306 585 HA ARG 93 HA ARG 93 4.599 -2.591 -3.286 586 HB3 ARG 93 2HB ARG 93 6.153 -3.993 -5.257 587 HG3 ARG 93 2HG ARG 93 3.602 -3.848 -4.960 588 HD3 ARG 93 2HD ARG 93 4.047 -1.572 -6.934 589 HE ARG 93 HE ARG 93 1.944 -3.343 -6.659 590 HH11 ARG 93 1HH1 ARG 93 2.257 0.191 -6.642 591 HH12 ARG 93 2HH1 ARG 93 0.867 0.415 -7.695 592 HH21 ARG 93 1HH2 ARG 93 -0.172 -2.974 -7.458 593 HH22 ARG 93 2HH2 ARG 93 -0.675 -1.423 -7.946 594 H ALA 94 H ALA 94 8.058 -3.326 -3.963 595 HA ALA 94 HA ALA 94 8.234 -5.652 -2.414 596 HB1 ALA 94 1HB ALA 94 9.890 -4.944 -4.088 597 HB2 ALA 94 2HB ALA 94 10.366 -3.561 -3.080 598 HB3 ALA 94 3HB ALA 94 10.681 -5.209 -2.518 599 H THR 95 H THR 95 8.632 -2.308 -1.502 600 HA THR 95 HA THR 95 9.733 -2.647 1.086 601 HB THR 95 HB THR 95 8.029 -0.315 0.191 602 HG1 THR 95 1HG THR 95 9.695 0.292 -1.165 603 HG21 THR 95 3HG2 THR 95 8.928 -0.159 2.485 604 HG22 THR 95 1HG2 THR 95 9.727 1.025 1.435 605 HG23 THR 95 2HG2 THR 95 10.572 -0.470 1.882 606 H ALA 96 H ALA 96 6.305 -1.846 0.059 607 HA ALA 96 HA ALA 96 5.153 -2.001 2.592 608 HB1 ALA 96 1HB ALA 96 3.939 -2.748 -0.079 609 HB2 ALA 96 2HB ALA 96 3.052 -2.401 1.420 610 HB3 ALA 96 3HB ALA 96 4.003 -1.117 0.656 611 H ARG 97 H ARG 97 6.145 -4.679 0.403 612 HA ARG 97 HA ARG 97 4.626 -6.713 1.680 613 HB3 ARG 97 2HB ARG 97 7.189 -6.741 -0.022 614 HG3 ARG 97 2HG ARG 97 5.036 -8.886 0.209 615 HD3 ARG 97 2HD ARG 97 7.046 -8.889 -1.580 616 HE ARG 97 HE ARG 97 8.374 -9.403 0.928 617 HH11 ARG 97 1HH1 ARG 97 8.258 -10.946 -2.271 618 HH12 ARG 97 2HH1 ARG 97 9.911 -11.426 -2.243 619 HH21 ARG 97 1HH2 ARG 97 10.553 -9.971 0.973 620 HH22 ARG 97 2HH2 ARG 97 11.259 -10.835 -0.353 621 H GLU 98 H GLU 98 8.094 -5.689 2.040 622 HA GLU 98 HA GLU 98 8.514 -7.517 4.213 623 HB3 GLU 98 2HB GLU 98 9.957 -5.042 3.212 624 HG3 GLU 98 2HG GLU 98 10.593 -5.146 5.461 625 H GLN 99 H GLN 99 7.655 -4.034 4.068 626 HA GLN 99 HA GLN 99 7.894 -3.197 6.621 627 HB3 GLN 99 2HB GLN 99 5.586 -1.929 5.899 628 HG3 GLN 99 2HG GLN 99 8.213 -1.370 4.492 629 HE21 GLN 99 1HE2 GLN 99 8.380 1.194 5.448 630 HE22 GLN 99 2HE2 GLN 99 7.004 2.206 5.059 631 H ILE 100 H ILE 100 5.119 -5.096 5.444 632 HA ILE 100 HA ILE 100 3.312 -4.783 7.526 633 HB ILE 100 HB ILE 100 4.104 -7.009 5.714 634 HG13 ILE 100 2HG1 ILE 100 2.161 -6.430 4.412 635 HG21 ILE 100 1HG2 ILE 100 1.878 -8.151 6.205 636 HG22 ILE 100 2HG2 ILE 100 3.173 -8.362 7.382 637 HG23 ILE 100 3HG2 ILE 100 1.846 -7.235 7.715 638 HD11 ILE 100 3HD1 ILE 100 0.496 -6.028 6.330 639 HD12 ILE 100 1HD1 ILE 100 1.282 -4.457 6.591 640 HD13 ILE 100 2HD1 ILE 100 0.463 -4.795 5.060 641 H ILE 101 H ILE 101 6.178 -6.952 7.546 642 HA ILE 101 HA ILE 101 5.399 -8.248 10.017 643 HB ILE 101 HB ILE 101 7.911 -8.138 8.364 644 HG13 ILE 101 2HG1 ILE 101 7.427 -10.290 7.744 645 HG21 ILE 101 1HG2 ILE 101 8.816 -8.208 10.586 646 HG22 ILE 101 2HG2 ILE 101 7.668 -9.444 11.077 647 HG23 ILE 101 3HG2 ILE 101 8.947 -9.828 9.901 648 HD11 ILE 101 3HD1 ILE 101 7.134 -11.445 9.886 649 HD12 ILE 101 1HD1 ILE 101 5.467 -10.812 9.975 650 HD13 ILE 101 2HD1 ILE 101 5.965 -11.909 8.660 651 H SER 102 H SER 102 6.995 -5.327 9.102 652 HA SER 102 HA SER 102 8.330 -4.972 11.685 653 HB3 SER 102 2HB SER 102 8.057 -2.768 9.649 654 HG SER 102 HG SER 102 9.241 -2.471 11.598 655 H GLU 103 H GLU 103 5.228 -4.238 10.271 656 HA GLU 103 HA GLU 103 4.468 -2.137 12.149 657 HB3 GLU 103 2HB GLU 103 2.248 -2.398 11.307 658 HG3 GLU 103 2HG GLU 103 2.367 -2.609 8.876 659 H ILE 104 H ILE 104 4.826 -5.590 12.278 660 HA ILE 104 HA ILE 104 2.869 -6.068 14.410 661 HB ILE 104 HB ILE 104 5.262 -7.799 13.805 662 HG13 ILE 104 2HG1 ILE 104 3.930 -7.340 11.677 663 HG21 ILE 104 1HG2 ILE 104 2.487 -8.560 14.812 664 HG22 ILE 104 2HG2 ILE 104 3.928 -9.586 14.742 665 HG23 ILE 104 3HG2 ILE 104 3.867 -8.259 15.866 666 HD11 ILE 104 3HD1 ILE 104 3.907 -9.547 10.877 667 HD12 ILE 104 1HD1 ILE 104 5.277 -9.439 11.978 668 HD13 ILE 104 2HD1 ILE 104 3.769 -10.247 12.505 Start of MODEL 8 1 H1 MET 1 H MET 1 -11.750 -18.020 15.653 2 HA MET 1 HA MET 1 -9.350 -18.077 16.382 3 HB3 MET 1 2HB MET 1 -10.033 -16.270 14.056 4 HG3 MET 1 2HG MET 1 -7.563 -17.982 14.570 5 HE1 MET 1 3HE MET 1 -9.565 -15.537 12.094 6 HE2 MET 1 1HE MET 1 -8.143 -14.593 12.613 7 HE3 MET 1 2HE MET 1 -8.296 -15.169 10.935 8 H THR 2 H THR 2 -8.063 -16.956 17.919 9 HA THR 2 HA THR 2 -8.747 -14.095 18.314 10 HB THR 2 HB THR 2 -8.908 -14.677 20.684 11 HG1 THR 2 1HG THR 2 -9.087 -17.048 21.040 12 HG21 THR 2 3HG2 THR 2 -11.023 -15.780 20.552 13 HG22 THR 2 1HG2 THR 2 -10.597 -16.670 19.102 14 HG23 THR 2 2HG2 THR 2 -10.864 -14.913 19.022 15 H THR 3 H THR 3 -6.445 -14.904 16.866 16 HA THR 3 HA THR 3 -4.291 -15.087 16.720 17 HB THR 3 HB THR 3 -4.706 -12.602 17.078 18 HG1 THR 3 1HG THR 3 -2.916 -12.909 16.138 19 HG21 THR 3 3HG2 THR 3 -3.422 -11.556 18.931 20 HG22 THR 3 1HG2 THR 3 -3.241 -13.125 19.706 21 HG23 THR 3 2HG2 THR 3 -4.850 -12.412 19.509 22 H PHE 4 H PHE 4 -2.055 -14.812 18.428 23 HA PHE 4 HA PHE 4 -2.536 -16.243 20.833 24 HB3 PHE 4 2HB PHE 4 -0.711 -17.724 18.883 25 HD1 PHE 4 1HD PHE 4 -3.256 -18.271 21.646 26 HD2 PHE 4 2HD PHE 4 0.687 -19.194 20.133 27 HE1 PHE 4 1HE PHE 4 -2.789 -19.631 23.665 28 HE2 PHE 4 2HE PHE 4 1.132 -20.548 22.147 29 HZ PHE 4 HZ PHE 4 -0.592 -20.762 23.923 30 H ASP 5 H ASP 5 -0.112 -16.994 21.546 31 HA ASP 5 HA ASP 5 1.655 -14.614 21.531 32 HB3 ASP 5 2HB ASP 5 2.811 -16.159 23.295 33 H ASP 6 H ASP 6 4.093 -15.656 21.696 34 HA ASP 6 HA ASP 6 5.841 -16.287 20.472 35 HB3 ASP 6 2HB ASP 6 5.693 -18.642 19.420 36 H ARG 7 H ARG 7 6.374 -17.379 18.074 37 HA ARG 7 HA ARG 7 4.747 -15.863 16.083 38 HB3 ARG 7 2HB ARG 7 6.868 -15.239 14.942 39 HG3 ARG 7 2HG ARG 7 6.982 -14.414 17.866 40 HD3 ARG 7 2HD ARG 7 7.513 -12.680 15.433 41 HE ARG 7 HE ARG 7 7.394 -12.076 18.122 42 HH11 ARG 7 1HH1 ARG 7 9.883 -11.774 15.619 43 HH12 ARG 7 2HH1 ARG 7 10.952 -10.813 16.598 44 HH21 ARG 7 1HH2 ARG 7 8.767 -10.686 19.388 45 HH22 ARG 7 2HH2 ARG 7 10.187 -10.024 18.676 46 H GLU 8 H GLU 8 5.558 -18.816 16.998 47 HA GLU 8 HA GLU 8 7.272 -19.994 15.295 48 HB3 GLU 8 2HB GLU 8 5.008 -21.428 16.714 49 HG3 GLU 8 2HG GLU 8 7.185 -22.786 17.427 50 H ARG 9 H ARG 9 3.841 -19.746 14.570 51 HA ARG 9 HA ARG 9 4.682 -19.884 11.831 52 HB3 ARG 9 2HB ARG 9 4.234 -22.161 11.745 53 HG3 ARG 9 2HG ARG 9 1.762 -22.924 12.291 54 HD3 ARG 9 2HD ARG 9 3.528 -22.570 14.716 55 HE ARG 9 HE ARG 9 1.473 -24.289 14.194 56 HH11 ARG 9 1HH1 ARG 9 4.894 -25.029 14.626 57 HH12 ARG 9 2HH1 ARG 9 4.784 -26.661 14.022 58 HH21 ARG 9 1HH2 ARG 9 1.235 -26.427 13.713 59 HH22 ARG 9 2HH2 ARG 9 2.579 -27.556 13.709 60 H ALA 10 H ALA 10 3.924 -17.899 13.459 61 HA ALA 10 HA ALA 10 1.036 -17.406 12.906 62 HB1 ALA 10 1HB ALA 10 2.521 -17.058 15.540 63 HB2 ALA 10 2HB ALA 10 0.767 -17.003 15.246 64 HB3 ALA 10 3HB ALA 10 1.646 -18.523 15.071 65 H HIS 11 H HIS 11 4.244 -15.968 13.462 66 HA HIS 11 HA HIS 11 3.139 -13.395 12.450 67 HB3 HIS 11 2HB HIS 11 4.907 -12.273 13.834 68 HD1 HIS 11 1HD HIS 11 3.410 -10.752 15.236 69 HD2 HIS 11 2HD HIS 11 2.672 -14.846 15.821 70 HE1 HIS 11 1HE HIS 11 1.477 -10.915 16.862 71 H GLU 12 H GLU 12 5.386 -15.926 12.023 72 HA GLU 12 HA GLU 12 6.841 -14.318 9.952 73 HB3 GLU 12 2HB GLU 12 8.324 -16.391 9.883 74 HG3 GLU 12 2HG GLU 12 9.409 -16.041 12.167 75 H ALA 13 H ALA 13 5.650 -17.630 10.488 76 HA ALA 13 HA ALA 13 5.358 -18.210 7.780 77 HB1 ALA 13 1HB ALA 13 5.256 -19.916 9.721 78 HB2 ALA 13 2HB ALA 13 3.515 -19.538 9.784 79 HB3 ALA 13 3HB ALA 13 4.214 -20.215 8.332 80 H LYS 14 H LYS 14 2.799 -16.993 9.973 81 HA LYS 14 HA LYS 14 0.592 -17.480 8.426 82 HB3 LYS 14 2HB LYS 14 0.725 -14.806 9.822 83 HG3 LYS 14 2HG LYS 14 -1.411 -16.102 8.994 84 HD3 LYS 14 2HD LYS 14 -1.118 -17.376 11.734 85 HE3 LYS 14 2HE LYS 14 -2.728 -18.271 9.313 86 HZ1 LYS 14 3HZ LYS 14 -2.300 -19.845 11.201 87 HZ2 LYS 14 1HZ LYS 14 -3.896 -19.558 10.928 88 HZ3 LYS 14 2HZ LYS 14 -3.124 -18.833 12.188 89 H PHE 15 H PHE 15 2.873 -14.800 8.090 90 HA PHE 15 HA PHE 15 1.341 -13.481 5.982 91 HB3 PHE 15 2HB PHE 15 3.266 -11.894 6.059 92 HD1 PHE 15 1HD PHE 15 0.750 -11.257 6.849 93 HD2 PHE 15 2HD PHE 15 3.957 -12.505 9.423 94 HE1 PHE 15 1HE PHE 15 -0.493 -10.377 8.798 95 HE2 PHE 15 2HE PHE 15 2.666 -11.655 11.394 96 HZ PHE 15 HZ PHE 15 0.452 -10.608 11.083 97 H ALA 16 H ALA 16 4.498 -15.237 6.265 98 HA ALA 16 HA ALA 16 5.233 -15.048 3.577 99 HB1 ALA 16 1HB ALA 16 6.746 -16.874 4.056 100 HB2 ALA 16 2HB ALA 16 6.674 -15.818 5.468 101 HB3 ALA 16 3HB ALA 16 5.802 -17.369 5.476 102 H HIS 17 H HIS 17 3.084 -17.446 5.109 103 HA HIS 17 HA HIS 17 2.816 -19.032 2.681 104 HB3 HIS 17 2HB HIS 17 1.085 -20.241 4.155 105 HD1 HIS 17 1HD HIS 17 2.614 -22.252 3.502 106 HD2 HIS 17 2HD HIS 17 4.409 -19.448 6.059 107 HE1 HIS 17 1HE HIS 17 4.814 -23.265 4.252 108 H ASP 18 H ASP 18 1.770 -16.065 3.021 109 HA ASP 18 HA ASP 18 0.406 -14.779 1.891 110 HB3 ASP 18 2HB ASP 18 -1.142 -15.605 0.157 111 H ALA 19 H ALA 19 -2.144 -14.689 1.274 112 HA ALA 19 HA ALA 19 -4.199 -14.206 1.934 113 HB1 ALA 19 1HB ALA 19 -4.529 -16.557 2.506 114 HB2 ALA 19 2HB ALA 19 -3.933 -16.259 4.160 115 HB3 ALA 19 3HB ALA 19 -5.412 -15.466 3.596 116 H GLU 20 H GLU 20 -2.472 -14.739 5.050 117 HA GLU 20 HA GLU 20 -3.651 -12.484 6.284 118 HB3 GLU 20 2HB GLU 20 -0.858 -13.346 7.074 119 HG3 GLU 20 2HG GLU 20 -2.184 -11.781 8.479 120 H LEU 21 H LEU 21 -0.639 -12.850 4.474 121 HA LEU 21 HA LEU 21 0.337 -10.159 4.954 122 HB3 LEU 21 2HB LEU 21 0.979 -12.276 2.866 123 HG LEU 21 HG LEU 21 2.143 -9.510 3.332 124 HD11 LEU 21 1HD1 LEU 21 3.905 -10.843 4.234 125 HD12 LEU 21 2HD1 LEU 21 4.392 -10.416 2.594 126 HD13 LEU 21 3HD1 LEU 21 3.785 -12.050 2.927 127 HD21 LEU 21 3HD2 LEU 21 2.108 -11.510 1.036 128 HD22 LEU 21 1HD2 LEU 21 2.825 -9.891 0.959 129 HD23 LEU 21 2HD2 LEU 21 1.072 -10.061 1.162 130 H ASN 22 H ASN 22 -1.941 -11.569 2.632 131 HA ASN 22 HA ASN 22 -1.702 -9.333 0.780 132 HB3 ASN 22 2HB ASN 22 -3.827 -10.244 -0.215 133 HD21 ASN 22 1HD2 ASN 22 -3.677 -13.081 -0.821 134 HD22 ASN 22 2HD2 ASN 22 -2.135 -13.335 -1.602 135 H PHE 23 H PHE 23 -3.441 -9.918 3.802 136 HA PHE 23 HA PHE 23 -5.445 -7.845 3.293 137 HB3 PHE 23 2HB PHE 23 -6.016 -8.200 5.627 138 HD1 PHE 23 2HD PHE 23 -6.873 -9.585 2.985 139 HD2 PHE 23 1HD PHE 23 -5.446 -11.106 6.770 140 HE1 PHE 23 2HE PHE 23 -8.072 -11.700 2.588 141 HE2 PHE 23 1HE PHE 23 -6.649 -13.232 6.360 142 HZ PHE 23 HZ PHE 23 -7.965 -13.538 4.265 143 H LYS 24 H LYS 24 -2.422 -8.205 5.174 144 HA LYS 24 HA LYS 24 -2.490 -5.512 6.207 145 HB3 LYS 24 2HB LYS 24 -0.184 -6.050 6.963 146 HG3 LYS 24 2HG LYS 24 -0.611 -8.271 8.096 147 HD3 LYS 24 2HD LYS 24 -2.888 -6.270 8.392 148 HE3 LYS 24 2HE LYS 24 -1.564 -8.113 10.427 149 HZ1 LYS 24 3HZ LYS 24 -3.180 -7.444 11.897 150 HZ2 LYS 24 1HZ LYS 24 -4.169 -6.770 10.757 151 HZ3 LYS 24 2HZ LYS 24 -2.784 -6.023 11.219 152 H ALA 25 H ALA 25 -0.675 -7.047 3.512 153 HA ALA 25 HA ALA 25 0.950 -4.830 2.953 154 HB1 ALA 25 1HB ALA 25 1.481 -5.969 0.878 155 HB2 ALA 25 2HB ALA 25 1.429 -7.114 2.234 156 HB3 ALA 25 3HB ALA 25 0.080 -7.047 1.068 157 H GLU 26 H GLU 26 -2.428 -5.404 1.903 158 HA GLU 26 HA GLU 26 -2.453 -3.589 -0.272 159 HB3 GLU 26 2HB GLU 26 -4.215 -5.298 0.631 160 HG3 GLU 26 2HG GLU 26 -4.867 -3.895 2.703 161 H ALA 27 H ALA 27 -2.962 -3.110 3.136 162 HA ALA 27 HA ALA 27 -3.517 -0.289 3.046 163 HB1 ALA 27 1HB ALA 27 -4.436 -2.071 4.586 164 HB2 ALA 27 2HB ALA 27 -2.881 -2.053 5.422 165 HB3 ALA 27 3HB ALA 27 -3.874 -0.570 5.380 166 H ARG 28 H ARG 28 -0.711 -1.706 2.477 167 HA ARG 28 HA ARG 28 0.962 0.354 3.857 168 HB3 ARG 28 2HB ARG 28 2.782 -1.403 3.768 169 HG3 ARG 28 2HG ARG 28 2.050 -2.653 5.729 170 HD3 ARG 28 2HD ARG 28 2.542 0.028 5.635 171 HE ARG 28 HE ARG 28 -0.096 0.202 6.009 172 HH11 ARG 28 1HH1 ARG 28 2.361 0.037 8.610 173 HH12 ARG 28 2HH1 ARG 28 1.370 0.844 9.743 174 HH21 ARG 28 1HH2 ARG 28 -1.392 1.334 7.572 175 HH22 ARG 28 2HH2 ARG 28 -0.754 1.698 9.115 176 H ARG 29 H ARG 29 0.962 -1.985 1.129 177 HA ARG 29 HA ARG 29 2.704 -0.629 -0.554 178 HB3 ARG 29 2HB ARG 29 1.722 -2.973 -0.761 179 HG3 ARG 29 2HG ARG 29 -0.315 -1.831 -2.637 180 HD3 ARG 29 2HD ARG 29 -1.292 -3.921 -2.677 181 HE ARG 29 HE ARG 29 1.616 -4.343 -2.578 182 HH11 ARG 29 1HH1 ARG 29 -1.536 -6.017 -2.915 183 HH12 ARG 29 2HH1 ARG 29 -0.807 -7.462 -3.501 184 HH21 ARG 29 1HH2 ARG 29 2.514 -6.191 -3.613 185 HH22 ARG 29 2HH2 ARG 29 1.462 -7.381 -4.293 186 H ASN 30 H ASN 30 -0.850 -0.146 -0.270 187 HA ASN 30 HA ASN 30 -0.826 1.974 -2.215 188 HB3 ASN 30 2HB ASN 30 -3.113 2.338 -1.506 189 HD21 ASN 30 1HD2 ASN 30 -4.862 0.332 -1.123 190 HD22 ASN 30 2HD2 ASN 30 -4.612 -1.037 -2.194 191 H ARG 31 H ARG 31 -0.809 1.832 1.340 192 HA ARG 31 HA ARG 31 -1.345 4.565 1.892 193 HB3 ARG 31 2HB ARG 31 0.015 2.337 3.453 194 HG3 ARG 31 2HG ARG 31 -0.889 3.719 5.476 195 HD3 ARG 31 2HD ARG 31 1.574 5.130 4.832 196 HE ARG 31 HE ARG 31 1.844 2.729 6.427 197 HH11 ARG 31 1HH1 ARG 31 1.000 6.169 6.597 198 HH12 ARG 31 2HH1 ARG 31 0.915 6.230 8.297 199 HH21 ARG 31 1HH2 ARG 31 2.012 2.862 8.748 200 HH22 ARG 31 2HH2 ARG 31 1.737 4.364 9.524 201 H LEU 32 H LEU 32 1.801 2.864 1.555 202 HA LEU 32 HA LEU 32 3.480 5.109 2.014 203 HB3 LEU 32 2HB LEU 32 4.936 3.664 0.262 204 HG LEU 32 HG LEU 32 5.600 3.868 2.590 205 HD11 LEU 32 1HD1 LEU 32 3.732 1.533 3.126 206 HD12 LEU 32 2HD1 LEU 32 3.755 3.137 3.922 207 HD13 LEU 32 3HD1 LEU 32 5.090 2.006 4.176 208 HD21 LEU 32 3HD2 LEU 32 6.745 1.685 2.724 209 HD22 LEU 32 1HD2 LEU 32 6.819 2.390 1.134 210 HD23 LEU 32 2HD2 LEU 32 5.692 1.028 1.450 211 H LEU 33 H LEU 33 1.764 4.043 -0.944 212 HA LEU 33 HA LEU 33 2.995 5.999 -2.668 213 HB3 LEU 33 2HB LEU 33 0.304 4.855 -3.318 214 HG LEU 33 HG LEU 33 1.758 5.965 -5.076 215 HD11 LEU 33 1HD1 LEU 33 4.001 5.258 -4.486 216 HD12 LEU 33 2HD1 LEU 33 3.618 4.446 -6.004 217 HD13 LEU 33 3HD1 LEU 33 3.523 3.527 -4.505 218 HD21 LEU 33 3HD2 LEU 33 0.045 4.284 -5.684 219 HD22 LEU 33 1HD2 LEU 33 1.250 2.977 -5.467 220 HD23 LEU 33 2HD2 LEU 33 1.462 4.190 -6.747 221 H GLY 34 H GLY 34 -0.033 5.921 -0.723 222 HA2 GLY 34 1HA GLY 34 -1.226 8.270 -1.829 223 HA3 GLY 34 2HA GLY 34 -1.613 7.549 -0.264 224 H GLU 35 H GLU 35 0.671 7.834 1.232 225 HA GLU 35 HA GLU 35 0.441 10.592 1.951 226 HB3 GLU 35 2HB GLU 35 2.222 10.090 3.605 227 HG3 GLU 35 2HG GLU 35 0.169 7.846 3.429 228 H TRP 36 H TRP 36 2.728 8.893 -0.095 229 HA TRP 36 HA TRP 36 4.723 10.915 -0.433 230 HB3 TRP 36 2HB TRP 36 3.643 8.678 -2.151 231 HD1 TRP 36 HD TRP 36 6.898 10.760 -2.288 232 HE1 TRP 36 1HE TRP 36 7.521 11.118 -4.764 233 HE3 TRP 36 3HE TRP 36 2.803 8.578 -4.507 234 HZ2 TRP 36 2HZ TRP 36 6.399 10.490 -7.362 235 HZ3 TRP 36 3HZ TRP 36 2.634 8.493 -6.940 236 HH2 TRP 36 HH TRP 36 4.418 9.461 -8.376 237 H ALA 37 H ALA 37 1.843 10.155 -2.535 238 HA ALA 37 HA ALA 37 2.172 12.370 -4.198 239 HB1 ALA 37 1HB ALA 37 -0.314 11.935 -4.674 240 HB2 ALA 37 2HB ALA 37 0.751 10.502 -4.784 241 HB3 ALA 37 3HB ALA 37 -0.250 10.749 -3.352 242 H ALA 38 H ALA 38 0.285 12.194 -1.129 243 HA ALA 38 HA ALA 38 -0.775 14.816 -1.157 244 HB1 ALA 38 1HB ALA 38 -0.688 14.602 1.346 245 HB2 ALA 38 2HB ALA 38 -1.438 13.227 0.509 246 HB3 ALA 38 3HB ALA 38 0.206 13.078 1.130 247 H GLY 39 H GLY 39 2.523 13.725 -0.312 248 HA2 GLY 39 1HA GLY 39 3.597 16.231 0.612 249 HA3 GLY 39 2HA GLY 39 4.473 14.793 0.115 250 H LEU 40 H LEU 40 2.909 15.030 -2.557 251 HA LEU 40 HA LEU 40 4.865 16.834 -3.870 252 HB3 LEU 40 2HB LEU 40 3.876 15.722 -5.923 253 HG LEU 40 HG LEU 40 4.849 13.773 -3.788 254 HD11 LEU 40 1HD1 LEU 40 3.854 12.513 -5.585 255 HD12 LEU 40 2HD1 LEU 40 5.567 12.606 -6.048 256 HD13 LEU 40 3HD1 LEU 40 4.401 13.676 -6.813 257 HD21 LEU 40 3HD2 LEU 40 6.366 15.345 -5.924 258 HD22 LEU 40 1HD2 LEU 40 7.046 13.998 -4.991 259 HD23 LEU 40 2HD2 LEU 40 6.562 15.465 -4.157 260 H LEU 41 H LEU 41 1.379 16.474 -3.355 261 HA LEU 41 HA LEU 41 0.621 18.668 -5.121 262 HB3 LEU 41 2HB LEU 41 -1.595 18.381 -3.968 263 HG LEU 41 HG LEU 41 -0.146 16.041 -5.178 264 HD11 LEU 41 1HD1 LEU 41 -1.433 15.056 -3.319 265 HD12 LEU 41 2HD1 LEU 41 -2.039 14.603 -4.910 266 HD13 LEU 41 3HD1 LEU 41 -2.905 15.828 -3.958 267 HD21 LEU 41 3HD2 LEU 41 -2.090 16.109 -6.749 268 HD22 LEU 41 1HD2 LEU 41 -1.187 17.650 -6.719 269 HD23 LEU 41 2HD2 LEU 41 -2.744 17.476 -5.863 270 H GLY 42 H GLY 42 1.989 18.564 -1.956 271 HA2 GLY 42 1HA GLY 42 2.145 20.086 -0.229 272 HA3 GLY 42 2HA GLY 42 1.546 21.349 -1.316 273 H LYS 43 H LYS 43 0.153 18.241 -0.060 274 HA LYS 43 HA LYS 43 -2.222 19.772 0.962 275 HB3 LYS 43 2HB LYS 43 -3.071 17.588 1.635 276 HG3 LYS 43 2HG LYS 43 -3.519 16.452 -0.363 277 HD3 LYS 43 2HD LYS 43 -4.383 18.969 -0.101 278 HE3 LYS 43 2HE LYS 43 -3.930 19.455 -2.842 279 HZ1 LYS 43 3HZ LYS 43 -2.562 21.057 -0.785 280 HZ2 LYS 43 1HZ LYS 43 -4.214 21.088 -0.997 281 HZ3 LYS 43 2HZ LYS 43 -3.201 21.514 -2.209 282 H THR 44 H THR 44 -2.633 19.616 3.276 283 HA THR 44 HA THR 44 -0.434 18.631 4.995 284 HB THR 44 HB THR 44 -0.316 20.755 6.208 285 HG1 THR 44 1HG THR 44 -2.120 21.665 4.205 286 HG21 THR 44 3HG2 THR 44 1.008 22.079 4.706 287 HG22 THR 44 1HG2 THR 44 0.306 21.310 3.279 288 HG23 THR 44 2HG2 THR 44 1.339 20.375 4.399 289 H GLY 45 H GLY 45 -1.184 18.971 7.417 290 HA2 GLY 45 1HA GLY 45 -2.637 19.271 9.092 291 HA3 GLY 45 2HA GLY 45 -3.733 19.997 7.931 292 H ASP 46 H ASP 46 -4.922 18.509 6.605 293 HA ASP 46 HA ASP 46 -5.648 15.909 7.737 294 HB3 ASP 46 2HB ASP 46 -7.686 18.137 7.601 295 H ASP 47 H ASP 47 -5.811 18.374 5.166 296 HA ASP 47 HA ASP 47 -7.149 17.018 3.115 297 HB3 ASP 47 2HB ASP 47 -5.488 18.244 1.694 298 H ALA 48 H ALA 48 -3.850 16.782 4.397 299 HA ALA 48 HA ALA 48 -2.812 15.127 2.265 300 HB1 ALA 48 1HB ALA 48 -1.823 15.643 5.108 301 HB2 ALA 48 2HB ALA 48 -0.847 14.975 3.769 302 HB3 ALA 48 3HB ALA 48 -1.447 16.634 3.685 303 H ARG 49 H ARG 49 -4.541 14.579 5.221 304 HA ARG 49 HA ARG 49 -3.804 11.771 5.471 305 HB3 ARG 49 2HB ARG 49 -5.565 11.738 7.206 306 HG3 ARG 49 2HG ARG 49 -3.875 14.236 7.593 307 HD3 ARG 49 2HD ARG 49 -5.021 12.185 9.525 308 HE ARG 49 HE ARG 49 -4.096 14.739 10.540 309 HH11 ARG 49 1HH1 ARG 49 -3.008 11.373 9.800 310 HH12 ARG 49 2HH1 ARG 49 -1.782 11.435 11.030 311 HH21 ARG 49 1HH2 ARG 49 -2.448 14.614 12.217 312 HH22 ARG 49 2HH2 ARG 49 -1.479 13.168 12.331 313 H ALA 50 H ALA 50 -6.771 13.665 4.688 314 HA ALA 50 HA ALA 50 -8.394 11.599 3.795 315 HB1 ALA 50 1HB ALA 50 -9.181 13.875 4.174 316 HB2 ALA 50 2HB ALA 50 -8.224 14.475 2.801 317 HB3 ALA 50 3HB ALA 50 -9.583 13.371 2.523 318 H TYR 51 H TYR 51 -5.913 13.415 1.892 319 HA TYR 51 HA TYR 51 -6.403 12.253 -0.583 320 HB3 TYR 51 2HB TYR 51 -3.711 13.048 0.591 321 HD1 TYR 51 1HD TYR 51 -2.764 11.147 -0.916 322 HD2 TYR 51 2HD TYR 51 -5.013 14.479 -2.464 323 HE1 TYR 51 1HE TYR 51 -2.320 10.370 -3.184 324 HE2 TYR 51 2HE TYR 51 -4.362 13.863 -4.752 325 HH TYR 51 HH TYR 51 -3.504 12.200 -6.044 326 H ALA 52 H ALA 52 -4.176 11.015 2.005 327 HA ALA 52 HA ALA 52 -3.268 8.749 0.521 328 HB1 ALA 52 1HB ALA 52 -2.530 7.923 2.730 329 HB2 ALA 52 2HB ALA 52 -2.164 9.659 2.580 330 HB3 ALA 52 3HB ALA 52 -3.558 9.122 3.554 331 H LEU 53 H LEU 53 -6.076 9.385 2.509 332 HA LEU 53 HA LEU 53 -6.980 6.598 2.620 333 HB3 LEU 53 2HB LEU 53 -8.767 7.640 4.040 334 HG LEU 53 HG LEU 53 -5.875 8.352 4.720 335 HD11 LEU 53 1HD1 LEU 53 -7.381 9.994 5.832 336 HD12 LEU 53 2HD1 LEU 53 -6.506 8.941 6.954 337 HD13 LEU 53 3HD1 LEU 53 -8.220 8.643 6.619 338 HD21 LEU 53 3HD2 LEU 53 -6.101 6.541 6.353 339 HD22 LEU 53 1HD2 LEU 53 -6.398 5.957 4.719 340 HD23 LEU 53 2HD2 LEU 53 -7.766 6.240 5.825 341 H THR 54 H THR 54 -6.778 7.118 0.035 342 HA THR 54 HA THR 54 -9.628 7.132 -0.825 343 HB THR 54 HB THR 54 -8.975 8.121 -2.967 344 HG1 THR 54 1HG THR 54 -6.824 9.306 -2.726 345 HG21 THR 54 3HG2 THR 54 -9.695 9.601 -1.027 346 HG22 THR 54 1HG2 THR 54 -8.716 10.407 -2.285 347 HG23 THR 54 2HG2 THR 54 -7.962 9.924 -0.765 348 H VAL 55 H VAL 55 -6.662 5.391 -0.655 349 HA VAL 55 HA VAL 55 -7.680 3.401 -2.602 350 HB VAL 55 HB VAL 55 -4.799 4.202 -2.411 351 HG11 VAL 55 1HG1 VAL 55 -4.622 3.029 -4.625 352 HG12 VAL 55 2HG1 VAL 55 -5.237 1.930 -3.370 353 HG13 VAL 55 3HG1 VAL 55 -6.343 2.650 -4.549 354 HG21 VAL 55 3HG2 VAL 55 -5.959 6.159 -3.345 355 HG22 VAL 55 1HG2 VAL 55 -5.045 5.342 -4.600 356 HG23 VAL 55 2HG2 VAL 55 -6.804 5.124 -4.514 357 H VAL 56 H VAL 56 -8.369 3.035 -0.135 358 HA VAL 56 HA VAL 56 -6.492 0.987 0.896 359 HB VAL 56 HB VAL 56 -8.148 2.809 2.690 360 HG11 VAL 56 1HG1 VAL 56 -7.331 0.685 3.622 361 HG12 VAL 56 2HG1 VAL 56 -5.668 1.091 3.182 362 HG13 VAL 56 3HG1 VAL 56 -6.541 2.047 4.416 363 HG21 VAL 56 3HG2 VAL 56 -6.030 4.036 3.250 364 HG22 VAL 56 1HG2 VAL 56 -5.241 3.262 1.869 365 HG23 VAL 56 2HG2 VAL 56 -6.608 4.379 1.625 366 H THR 57 H THR 57 -7.622 -0.863 1.635 367 HA THR 57 HA THR 57 -9.115 -2.285 2.191 368 HB THR 57 HB THR 57 -11.339 -1.797 2.930 369 HG1 THR 57 1HG THR 57 -11.888 0.546 2.957 370 HG21 THR 57 3HG2 THR 57 -10.745 -0.397 4.779 371 HG22 THR 57 1HG2 THR 57 -9.522 0.466 3.833 372 HG23 THR 57 2HG2 THR 57 -9.283 -1.249 4.321 373 H SER 58 H SER 58 -9.952 -0.344 -0.616 374 HA SER 58 HA SER 58 -10.419 -1.001 -2.718 375 HB3 SER 58 2HB SER 58 -9.716 -3.820 -2.611 376 HG SER 58 HG SER 58 -9.089 -2.586 -4.335 377 H ASP 59 H ASP 59 -12.611 -0.597 -1.654 378 HA ASP 59 HA ASP 59 -14.367 -2.866 -1.192 379 HB3 ASP 59 2HB ASP 59 -14.277 -0.882 0.299 380 H PHE 60 H PHE 60 -13.365 -2.002 -4.062 381 HA PHE 60 HA PHE 60 -16.083 -2.216 -5.305 382 HB3 PHE 60 2HB PHE 60 -15.002 -1.417 -7.378 383 HD1 PHE 60 1HD PHE 60 -14.691 0.397 -4.025 384 HD2 PHE 60 2HD PHE 60 -15.462 0.675 -8.244 385 HE1 PHE 60 1HE PHE 60 -15.462 2.673 -3.704 386 HE2 PHE 60 2HE PHE 60 -16.213 3.025 -7.919 387 HZ PHE 60 HZ PHE 60 -16.231 4.029 -5.651 388 H ASP 61 H ASP 61 -13.326 -3.970 -4.492 389 HA ASP 61 HA ASP 61 -12.212 -5.776 -5.267 390 HB3 ASP 61 2HB ASP 61 -14.838 -6.644 -6.520 391 H GLU 62 H GLU 62 -12.543 -7.181 -7.802 392 HA GLU 62 HA GLU 62 -11.887 -7.204 -9.936 393 HB3 GLU 62 2HB GLU 62 -12.698 -5.520 -11.478 394 HG3 GLU 62 2HG GLU 62 -14.801 -6.203 -9.381 395 HA PRO 63 HA PRO 63 -8.018 -4.802 -9.204 396 HB3 PRO 63 2HB PRO 63 -7.240 -6.354 -7.687 397 HG3 PRO 63 2HG PRO 63 -7.871 -8.665 -7.817 398 HD3 PRO 63 2HD PRO 63 -9.868 -7.433 -7.660 399 H GLY 64 H GLY 64 -8.581 -4.013 -11.322 400 HA2 GLY 64 1HA GLY 64 -7.655 -5.436 -13.716 401 HA3 GLY 64 2HA GLY 64 -8.249 -3.776 -13.611 402 H ASP 65 H ASP 65 -6.118 -4.033 -11.173 403 HA ASP 65 HA ASP 65 -4.083 -3.454 -10.606 404 HB3 ASP 65 2HB ASP 65 -2.178 -4.065 -11.956 405 H GLU 66 H GLU 66 -4.235 -2.520 -13.979 406 HA GLU 66 HA GLU 66 -2.314 -0.487 -13.802 407 HB3 GLU 66 2HB GLU 66 -4.369 -1.108 -15.976 408 HG3 GLU 66 2HG GLU 66 -1.559 -0.006 -16.020 409 H ASP 67 H ASP 67 -5.637 -0.252 -13.001 410 HA ASP 67 HA ASP 67 -6.218 2.239 -14.353 411 HB3 ASP 67 2HB ASP 67 -7.722 0.993 -12.009 412 H VAL 68 H VAL 68 -5.041 1.350 -11.229 413 HA VAL 68 HA VAL 68 -5.525 3.661 -9.704 414 HB VAL 68 HB VAL 68 -4.815 1.288 -9.073 415 HG11 VAL 68 1HG1 VAL 68 -2.003 2.365 -9.455 416 HG12 VAL 68 2HG1 VAL 68 -2.486 0.756 -8.856 417 HG13 VAL 68 3HG1 VAL 68 -2.804 1.207 -10.537 418 HG21 VAL 68 3HG2 VAL 68 -3.309 3.558 -7.683 419 HG22 VAL 68 1HG2 VAL 68 -5.001 3.100 -7.387 420 HG23 VAL 68 2HG2 VAL 68 -3.709 1.965 -6.994 421 H PHE 69 H PHE 69 -2.950 2.900 -12.017 422 HA PHE 69 HA PHE 69 -1.203 5.114 -11.482 423 HB3 PHE 69 2HB PHE 69 -1.642 3.156 -13.757 424 HD1 PHE 69 2HD PHE 69 -1.790 4.679 -15.676 425 HD2 PHE 69 1HD PHE 69 1.548 4.765 -12.944 426 HE1 PHE 69 2HE PHE 69 -0.494 6.008 -17.292 427 HE2 PHE 69 1HE PHE 69 2.835 6.120 -14.559 428 HZ PHE 69 HZ PHE 69 1.820 6.709 -16.768 429 H ARG 70 H ARG 70 -3.924 4.553 -13.769 430 HA ARG 70 HA ARG 70 -3.693 7.034 -15.118 431 HB3 ARG 70 2HB ARG 70 -6.263 5.426 -14.678 432 HG3 ARG 70 2HG ARG 70 -6.382 6.025 -17.231 433 HD3 ARG 70 2HD ARG 70 -7.298 7.538 -14.890 434 HE ARG 70 HE ARG 70 -6.337 9.094 -17.061 435 HH11 ARG 70 1HH1 ARG 70 -9.302 8.782 -15.164 436 HH12 ARG 70 2HH1 ARG 70 -9.652 10.477 -15.139 437 HH21 ARG 70 1HH2 ARG 70 -6.650 11.318 -16.904 438 HH22 ARG 70 2HH2 ARG 70 -8.051 12.019 -16.218 439 H LYS 71 H LYS 71 -5.106 6.202 -11.996 440 HA LYS 71 HA LYS 71 -6.475 8.757 -11.633 441 HB3 LYS 71 2HB LYS 71 -5.572 6.811 -9.464 442 HG3 LYS 71 2HG LYS 71 -7.734 8.928 -9.637 443 HD3 LYS 71 2HD LYS 71 -7.106 7.052 -7.318 444 HE3 LYS 71 2HE LYS 71 -8.035 9.069 -6.412 445 HZ1 LYS 71 3HZ LYS 71 -10.266 9.769 -7.172 446 HZ2 LYS 71 1HZ LYS 71 -10.049 8.853 -8.541 447 HZ3 LYS 71 2HZ LYS 71 -9.054 10.142 -8.192 448 H LEU 72 H LEU 72 -3.436 7.336 -10.375 449 HA LEU 72 HA LEU 72 -2.430 9.513 -8.918 450 HB3 LEU 72 2HB LEU 72 -0.140 8.479 -9.765 451 HG LEU 72 HG LEU 72 -2.210 7.196 -8.012 452 HD11 LEU 72 1HD1 LEU 72 -1.284 5.252 -9.258 453 HD12 LEU 72 2HD1 LEU 72 -0.822 5.249 -7.557 454 HD13 LEU 72 3HD1 LEU 72 0.351 5.740 -8.803 455 HD21 LEU 72 3HD2 LEU 72 0.735 7.873 -7.637 456 HD22 LEU 72 1HD2 LEU 72 -0.369 7.398 -6.344 457 HD23 LEU 72 2HD2 LEU 72 -0.603 8.945 -7.184 458 H ALA 73 H ALA 73 -1.867 8.791 -12.403 459 HA ALA 73 HA ALA 73 -0.273 11.046 -12.980 460 HB1 ALA 73 1HB ALA 73 -0.862 10.532 -15.306 461 HB2 ALA 73 2HB ALA 73 -0.671 9.003 -14.418 462 HB3 ALA 73 3HB ALA 73 -2.291 9.613 -14.791 463 H ALA 74 H ALA 74 -3.797 10.775 -12.662 464 HA ALA 74 HA ALA 74 -4.256 13.420 -13.898 465 HB1 ALA 74 1HB ALA 74 -6.202 11.439 -12.655 466 HB2 ALA 74 2HB ALA 74 -6.591 12.869 -13.660 467 HB3 ALA 74 3HB ALA 74 -5.751 11.486 -14.372 468 H ASP 75 H ASP 75 -3.136 12.496 -10.919 469 HA ASP 75 HA ASP 75 -4.550 14.724 -9.485 470 HB3 ASP 75 2HB ASP 75 -3.114 13.239 -7.600 471 H LEU 76 H LEU 76 -1.375 13.001 -9.671 472 HA LEU 76 HA LEU 76 0.120 15.404 -8.972 473 HB3 LEU 76 2HB LEU 76 2.085 13.933 -9.393 474 HG LEU 76 HG LEU 76 2.006 12.518 -7.605 475 HD11 LEU 76 1HD1 LEU 76 1.727 14.905 -6.940 476 HD12 LEU 76 2HD1 LEU 76 1.003 13.771 -5.772 477 HD13 LEU 76 3HD1 LEU 76 -0.024 14.659 -6.893 478 HD21 LEU 76 3HD2 LEU 76 0.277 11.298 -6.821 479 HD22 LEU 76 1HD2 LEU 76 -0.254 11.524 -8.495 480 HD23 LEU 76 2HD2 LEU 76 -0.952 12.527 -7.234 481 H GLU 77 H GLU 77 -1.553 15.458 -11.443 482 HA GLU 77 HA GLU 77 0.034 15.565 -13.775 483 HB3 GLU 77 2HB GLU 77 -2.231 17.445 -12.981 484 HG3 GLU 77 2HG GLU 77 -1.684 16.139 -15.668 485 H GLY 78 H GLY 78 1.935 16.669 -13.919 486 HA2 GLY 78 1HA GLY 78 3.209 18.652 -14.044 487 HA3 GLY 78 2HA GLY 78 2.170 19.380 -12.818 488 H LYS 79 H LYS 79 2.759 16.500 -11.493 489 HA LYS 79 HA LYS 79 4.964 17.707 -9.852 490 HB3 LYS 79 2HB LYS 79 3.935 17.130 -7.872 491 HG3 LYS 79 2HG LYS 79 1.498 17.632 -7.891 492 HD3 LYS 79 2HD LYS 79 1.528 19.822 -9.253 493 HE3 LYS 79 2HE LYS 79 3.662 19.353 -7.127 494 HZ1 LYS 79 3HZ LYS 79 3.461 21.656 -6.710 495 HZ2 LYS 79 1HZ LYS 79 2.254 21.867 -7.811 496 HZ3 LYS 79 2HZ LYS 79 3.802 21.490 -8.290 497 H ALA 80 H ALA 80 3.413 14.541 -10.798 498 HA ALA 80 HA ALA 80 6.137 13.353 -10.661 499 HB1 ALA 80 1HB ALA 80 5.188 12.623 -8.594 500 HB2 ALA 80 2HB ALA 80 3.654 12.141 -9.392 501 HB3 ALA 80 3HB ALA 80 5.163 11.279 -9.741 502 H ASP 81 H ASP 81 6.574 12.651 -12.481 503 HA ASP 81 HA ASP 81 4.736 12.241 -14.691 504 HB3 ASP 81 2HB ASP 81 6.662 12.011 -16.012 505 H GLU 82 H GLU 82 4.669 10.215 -15.911 506 HA GLU 82 HA GLU 82 4.201 7.888 -14.623 507 HB3 GLU 82 2HB GLU 82 5.287 8.359 -17.422 508 HG3 GLU 82 2HG GLU 82 4.400 5.794 -16.082 509 H GLU 83 H GLU 83 7.263 9.040 -15.676 510 HA GLU 83 HA GLU 83 9.015 6.897 -15.481 511 HB3 GLU 83 2HB GLU 83 9.509 9.842 -14.887 512 HG3 GLU 83 2HG GLU 83 11.265 7.666 -16.056 513 H THR 84 H THR 84 7.541 8.702 -12.823 514 HA THR 84 HA THR 84 9.212 7.077 -10.948 515 HB THR 84 HB THR 84 9.484 9.638 -10.959 516 HG1 THR 84 1HG THR 84 10.395 8.721 -9.307 517 HG21 THR 84 3HG2 THR 84 6.902 9.542 -9.390 518 HG22 THR 84 1HG2 THR 84 7.166 10.366 -10.946 519 HG23 THR 84 2HG2 THR 84 8.021 10.917 -9.501 520 H ILE 85 H ILE 85 5.954 8.323 -11.679 521 HA ILE 85 HA ILE 85 4.520 7.124 -9.655 522 HB ILE 85 HB ILE 85 3.715 7.161 -12.563 523 HG13 ILE 85 2HG1 ILE 85 4.202 9.453 -11.625 524 HG21 ILE 85 1HG2 ILE 85 2.256 5.642 -11.020 525 HG22 ILE 85 2HG2 ILE 85 1.853 7.102 -10.121 526 HG23 ILE 85 3HG2 ILE 85 1.381 6.928 -11.819 527 HD11 ILE 85 3HD1 ILE 85 1.183 9.062 -11.782 528 HD12 ILE 85 1HD1 ILE 85 1.998 10.595 -11.635 529 HD13 ILE 85 2HD1 ILE 85 2.280 9.609 -13.076 530 H ARG 86 H ARG 86 5.115 5.461 -12.812 531 HA ARG 86 HA ARG 86 3.968 2.958 -11.951 532 HB3 ARG 86 2HB ARG 86 5.769 2.257 -13.949 533 HG3 ARG 86 2HG ARG 86 3.865 3.144 -15.553 534 HD3 ARG 86 2HD ARG 86 2.270 1.299 -14.540 535 HE ARG 86 HE ARG 86 3.874 1.061 -16.499 536 HH11 ARG 86 1HH1 ARG 86 3.838 -1.044 -13.610 537 HH12 ARG 86 2HH1 ARG 86 4.414 -2.409 -14.506 538 HH21 ARG 86 1HH2 ARG 86 4.760 -0.673 -17.555 539 HH22 ARG 86 2HH2 ARG 86 5.210 -2.142 -16.713 540 H ALA 87 H ALA 87 7.089 4.395 -11.634 541 HA ALA 87 HA ALA 87 8.555 1.939 -11.120 542 HB1 ALA 87 1HB ALA 87 9.589 4.124 -11.899 543 HB2 ALA 87 2HB ALA 87 9.366 4.756 -10.256 544 HB3 ALA 87 3HB ALA 87 10.418 3.358 -10.536 545 H LYS 88 H LYS 88 7.485 4.560 -8.971 546 HA LYS 88 HA LYS 88 7.951 3.318 -6.468 547 HB3 LYS 88 2HB LYS 88 6.084 4.879 -5.648 548 HG3 LYS 88 2HG LYS 88 8.364 5.921 -7.379 549 HD3 LYS 88 2HD LYS 88 6.710 7.428 -5.323 550 HE3 LYS 88 2HE LYS 88 8.156 9.328 -6.337 551 HZ1 LYS 88 3HZ LYS 88 10.079 8.824 -5.023 552 HZ2 LYS 88 1HZ LYS 88 9.617 7.284 -4.779 553 HZ3 LYS 88 2HZ LYS 88 8.715 8.542 -4.138 554 H MET 89 H MET 89 5.053 3.199 -8.599 555 HA MET 89 HA MET 89 3.482 1.733 -6.752 556 HB3 MET 89 2HB MET 89 3.408 1.891 -9.763 557 HG3 MET 89 2HG MET 89 1.538 0.454 -7.828 558 HE1 MET 89 3HE MET 89 -0.436 -1.163 -9.109 559 HE2 MET 89 1HE MET 89 -0.975 -0.796 -10.763 560 HE3 MET 89 2HE MET 89 0.649 -1.452 -10.495 561 H VAL 90 H VAL 90 5.666 0.449 -9.407 562 HA VAL 90 HA VAL 90 5.326 -2.279 -8.795 563 HB VAL 90 HB VAL 90 7.676 -0.726 -9.957 564 HG11 VAL 90 1HG1 VAL 90 7.350 -3.750 -9.649 565 HG12 VAL 90 2HG1 VAL 90 8.511 -2.986 -10.757 566 HG13 VAL 90 3HG1 VAL 90 8.681 -2.744 -9.025 567 HG21 VAL 90 3HG2 VAL 90 5.527 -2.524 -11.166 568 HG22 VAL 90 1HG2 VAL 90 5.746 -0.776 -11.415 569 HG23 VAL 90 2HG2 VAL 90 6.933 -1.913 -12.044 570 H GLU 91 H GLU 91 7.998 -0.105 -7.586 571 HA GLU 91 HA GLU 91 9.091 -2.131 -5.953 572 HB3 GLU 91 2HB GLU 91 9.976 -0.143 -4.566 573 HG3 GLU 91 2HG GLU 91 10.704 0.126 -7.487 574 H LEU 92 H LEU 92 6.277 -0.008 -5.245 575 HA LEU 92 HA LEU 92 6.677 -0.551 -2.349 576 HB3 LEU 92 2HB LEU 92 4.650 0.931 -2.095 577 HG LEU 92 HG LEU 92 7.025 2.214 -3.547 578 HD11 LEU 92 1HD1 LEU 92 4.708 3.338 -1.973 579 HD12 LEU 92 2HD1 LEU 92 5.494 3.917 -3.452 580 HD13 LEU 92 3HD1 LEU 92 6.291 4.156 -1.909 581 HD21 LEU 92 3HD2 LEU 92 8.012 1.062 -1.775 582 HD22 LEU 92 1HD2 LEU 92 6.606 1.294 -0.718 583 HD23 LEU 92 2HD2 LEU 92 7.716 2.645 -1.087 584 H ARG 93 H ARG 93 5.148 -1.776 -5.019 585 HA ARG 93 HA ARG 93 2.986 -3.254 -3.701 586 HB3 ARG 93 2HB ARG 93 3.526 -4.444 -6.160 587 HG3 ARG 93 2HG ARG 93 1.321 -3.817 -5.624 588 HD3 ARG 93 2HD ARG 93 2.176 -0.922 -5.644 589 HE ARG 93 HE ARG 93 0.079 -0.218 -6.072 590 HH11 ARG 93 1HH1 ARG 93 -0.402 -3.744 -5.629 591 HH12 ARG 93 2HH1 ARG 93 -2.083 -3.623 -5.971 592 HH21 ARG 93 1HH2 ARG 93 -1.961 -0.147 -6.647 593 HH22 ARG 93 2HH2 ARG 93 -2.910 -1.573 -6.964 594 H ALA 94 H ALA 94 6.361 -3.904 -4.838 595 HA ALA 94 HA ALA 94 6.194 -6.646 -3.866 596 HB1 ALA 94 1HB ALA 94 8.561 -6.746 -4.621 597 HB2 ALA 94 2HB ALA 94 7.457 -6.153 -5.879 598 HB3 ALA 94 3HB ALA 94 8.496 -5.006 -5.006 599 H THR 95 H THR 95 7.687 -3.660 -2.808 600 HA THR 95 HA THR 95 9.295 -4.600 -0.641 601 HB THR 95 HB THR 95 8.052 -1.896 -1.308 602 HG1 THR 95 1HG THR 95 10.018 -2.871 -2.447 603 HG21 THR 95 3HG2 THR 95 8.369 -1.941 1.159 604 HG22 THR 95 1HG2 THR 95 9.553 -0.889 0.422 605 HG23 THR 95 2HG2 THR 95 10.032 -2.522 0.951 606 H ALA 96 H ALA 96 6.070 -2.895 -0.593 607 HA ALA 96 HA ALA 96 5.794 -3.032 2.188 608 HB1 ALA 96 1HB ALA 96 3.560 -2.298 1.817 609 HB2 ALA 96 2HB ALA 96 4.658 -1.453 0.708 610 HB3 ALA 96 3HB ALA 96 3.641 -2.810 0.130 611 H ARG 97 H ARG 97 5.741 -5.663 0.230 612 HA ARG 97 HA ARG 97 3.714 -7.307 1.620 613 HB3 ARG 97 2HB ARG 97 5.040 -9.054 0.113 614 HG3 ARG 97 2HG ARG 97 3.444 -6.994 -1.432 615 HD3 ARG 97 2HD ARG 97 4.518 -9.529 -2.123 616 HE ARG 97 HE ARG 97 1.543 -9.668 -1.752 617 HH11 ARG 97 1HH1 ARG 97 4.708 -11.444 -1.918 618 HH12 ARG 97 2HH1 ARG 97 3.950 -12.954 -1.591 619 HH21 ARG 97 1HH2 ARG 97 0.646 -11.776 -1.322 620 HH22 ARG 97 2HH2 ARG 97 1.677 -13.153 -1.193 621 H GLU 98 H GLU 98 7.319 -7.206 1.060 622 HA GLU 98 HA GLU 98 7.964 -9.060 3.063 623 HB3 GLU 98 2HB GLU 98 9.535 -6.886 1.630 624 HG3 GLU 98 2HG GLU 98 10.352 -9.404 3.125 625 H GLN 99 H GLN 99 8.202 -5.421 3.005 626 HA GLN 99 HA GLN 99 8.942 -4.737 5.332 627 HB3 GLN 99 2HB GLN 99 6.599 -3.131 4.498 628 HG3 GLN 99 2HG GLN 99 9.474 -2.466 3.950 629 HE21 GLN 99 1HE2 GLN 99 9.037 -0.481 2.794 630 HE22 GLN 99 2HE2 GLN 99 8.143 0.819 3.477 631 H ILE 100 H ILE 100 5.776 -6.173 5.009 632 HA ILE 100 HA ILE 100 4.434 -5.187 7.356 633 HB ILE 100 HB ILE 100 4.555 -7.967 6.068 634 HG13 ILE 100 2HG1 ILE 100 2.303 -7.332 5.057 635 HG21 ILE 100 1HG2 ILE 100 2.424 -7.000 8.012 636 HG22 ILE 100 2HG2 ILE 100 2.346 -8.482 7.038 637 HG23 ILE 100 3HG2 ILE 100 3.601 -8.306 8.271 638 HD11 ILE 100 3HD1 ILE 100 1.680 -5.024 4.887 639 HD12 ILE 100 1HD1 ILE 100 1.932 -5.286 6.610 640 HD13 ILE 100 2HD1 ILE 100 3.188 -4.492 5.630 641 H ILE 101 H ILE 101 6.854 -7.826 7.100 642 HA ILE 101 HA ILE 101 6.635 -8.542 9.868 643 HB ILE 101 HB ILE 101 8.745 -8.979 7.729 644 HG13 ILE 101 2HG1 ILE 101 7.837 -11.262 7.711 645 HG21 ILE 101 1HG2 ILE 101 9.578 -10.822 9.282 646 HG22 ILE 101 2HG2 ILE 101 9.969 -9.145 9.690 647 HG23 ILE 101 3HG2 ILE 101 8.679 -9.975 10.582 648 HD11 ILE 101 3HD1 ILE 101 6.765 -11.238 10.001 649 HD12 ILE 101 1HD1 ILE 101 5.393 -10.449 9.145 650 HD13 ILE 101 2HD1 ILE 101 5.959 -12.050 8.652 651 H SER 102 H SER 102 8.408 -6.123 8.139 652 HA SER 102 HA SER 102 10.363 -5.467 10.159 653 HB3 SER 102 2HB SER 102 9.318 -3.541 8.105 654 HG SER 102 HG SER 102 11.957 -4.366 8.292 655 H GLU 103 H GLU 103 6.952 -4.876 10.034 656 HA GLU 103 HA GLU 103 7.084 -2.512 11.858 657 HB3 GLU 103 2HB GLU 103 4.668 -2.410 11.488 658 HG3 GLU 103 2HG GLU 103 5.829 -3.106 8.829 659 H ILE 104 H ILE 104 6.451 -5.865 11.709 660 HA ILE 104 HA ILE 104 4.777 -6.132 14.062 661 HB ILE 104 HB ILE 104 6.628 -8.221 12.840 662 HG13 ILE 104 2HG1 ILE 104 4.882 -7.365 11.285 663 HG21 ILE 104 1HG2 ILE 104 4.235 -8.648 14.700 664 HG22 ILE 104 2HG2 ILE 104 5.308 -9.908 14.043 665 HG23 ILE 104 3HG2 ILE 104 5.932 -8.769 15.203 666 HD11 ILE 104 3HD1 ILE 104 4.001 -10.097 12.206 667 HD12 ILE 104 1HD1 ILE 104 3.946 -9.397 10.577 668 HD13 ILE 104 2HD1 ILE 104 5.509 -9.822 11.308 Start of MODEL 9 1 H1 MET 1 H MET 1 -9.065 -17.808 16.976 2 HA MET 1 HA MET 1 -7.421 -19.610 18.623 3 HB3 MET 1 2HB MET 1 -8.217 -20.998 16.913 4 HG3 MET 1 2HG MET 1 -7.722 -20.496 14.472 5 HE1 MET 1 3HE MET 1 -10.907 -17.737 13.810 6 HE2 MET 1 1HE MET 1 -9.478 -17.150 14.673 7 HE3 MET 1 2HE MET 1 -9.282 -18.049 13.171 8 H THR 2 H THR 2 -6.650 -17.494 19.474 9 HA THR 2 HA THR 2 -4.143 -16.861 18.211 10 HB THR 2 HB THR 2 -5.841 -15.546 16.901 11 HG1 THR 2 1HG THR 2 -4.009 -14.757 16.568 12 HG21 THR 2 3HG2 THR 2 -6.172 -13.899 19.421 13 HG22 THR 2 1HG2 THR 2 -7.407 -14.880 18.629 14 HG23 THR 2 2HG2 THR 2 -6.740 -13.470 17.796 15 H THR 3 H THR 3 -5.607 -17.669 20.938 16 HA THR 3 HA THR 3 -5.031 -15.580 22.804 17 HB THR 3 HB THR 3 -5.283 -18.583 23.297 18 HG1 THR 3 1HG THR 3 -7.255 -16.550 23.104 19 HG21 THR 3 3HG2 THR 3 -4.526 -17.324 25.278 20 HG22 THR 3 1HG2 THR 3 -6.197 -17.867 25.491 21 HG23 THR 3 2HG2 THR 3 -5.862 -16.171 25.072 22 H PHE 4 H PHE 4 -3.018 -14.862 23.036 23 HA PHE 4 HA PHE 4 -0.823 -14.599 23.128 24 HB3 PHE 4 2HB PHE 4 0.638 -16.786 23.499 25 HD1 PHE 4 1HD PHE 4 -1.916 -16.187 26.163 26 HD2 PHE 4 2HD PHE 4 2.022 -15.236 24.663 27 HE1 PHE 4 1HE PHE 4 -1.344 -15.105 28.322 28 HE2 PHE 4 2HE PHE 4 2.581 -14.164 26.812 29 HZ PHE 4 HZ PHE 4 0.914 -14.097 28.651 30 H ASP 5 H ASP 5 -1.276 -17.800 21.663 31 HA ASP 5 HA ASP 5 -0.338 -18.829 19.939 32 HB3 ASP 5 2HB ASP 5 -0.434 -16.483 18.088 33 H ASP 6 H ASP 6 1.580 -17.872 17.840 34 HA ASP 6 HA ASP 6 3.575 -16.384 19.291 35 HB3 ASP 6 2HB ASP 6 4.581 -19.129 18.561 36 H ARG 7 H ARG 7 5.911 -16.858 17.842 37 HA ARG 7 HA ARG 7 5.116 -15.506 15.332 38 HB3 ARG 7 2HB ARG 7 7.680 -15.069 15.296 39 HG3 ARG 7 2HG ARG 7 6.349 -13.736 17.638 40 HD3 ARG 7 2HD ARG 7 8.409 -12.980 15.506 41 HE ARG 7 HE ARG 7 7.434 -10.938 15.943 42 HH11 ARG 7 1HH1 ARG 7 8.555 -12.435 18.964 43 HH12 ARG 7 2HH1 ARG 7 8.318 -11.010 19.905 44 HH21 ARG 7 1HH2 ARG 7 7.447 -8.959 17.107 45 HH22 ARG 7 2HH2 ARG 7 7.995 -8.946 18.759 46 H GLU 8 H GLU 8 4.936 -18.514 15.797 47 HA GLU 8 HA GLU 8 6.745 -19.270 13.494 48 HB3 GLU 8 2HB GLU 8 5.849 -21.584 14.028 49 HG3 GLU 8 2HG GLU 8 7.388 -20.474 16.386 50 H ARG 9 H ARG 9 3.578 -20.720 14.327 51 HA ARG 9 HA ARG 9 2.989 -20.286 11.494 52 HB3 ARG 9 2HB ARG 9 1.467 -22.076 11.700 53 HG3 ARG 9 2HG ARG 9 2.982 -23.900 12.002 54 HD3 ARG 9 2HD ARG 9 4.970 -21.607 11.651 55 HE ARG 9 HE ARG 9 5.476 -24.296 11.473 56 HH11 ARG 9 1HH1 ARG 9 6.597 -21.466 9.880 57 HH12 ARG 9 2HH1 ARG 9 6.698 -22.055 8.256 58 HH21 ARG 9 1HH2 ARG 9 6.375 -25.391 9.500 59 HH22 ARG 9 2HH2 ARG 9 6.903 -24.414 8.149 60 H ALA 10 H ALA 10 2.496 -18.197 13.508 61 HA ALA 10 HA ALA 10 -0.293 -17.712 12.651 62 HB1 ALA 10 1HB ALA 10 0.997 -17.013 15.307 63 HB2 ALA 10 2HB ALA 10 -0.618 -16.471 14.809 64 HB3 ALA 10 3HB ALA 10 -0.267 -18.210 15.006 65 H HIS 11 H HIS 11 2.953 -16.313 13.177 66 HA HIS 11 HA HIS 11 2.123 -13.873 11.721 67 HB3 HIS 11 2HB HIS 11 3.444 -12.569 13.432 68 HD1 HIS 11 1HD HIS 11 1.217 -11.167 13.666 69 HD2 HIS 11 2HD HIS 11 1.260 -14.883 15.627 70 HE1 HIS 11 1HE HIS 11 -0.888 -11.253 15.079 71 H GLU 12 H GLU 12 4.377 -16.462 11.622 72 HA GLU 12 HA GLU 12 6.165 -14.761 10.056 73 HB3 GLU 12 2HB GLU 12 6.550 -17.102 11.906 74 HG3 GLU 12 2HG GLU 12 7.979 -16.582 9.358 75 H ALA 13 H ALA 13 4.422 -17.924 10.400 76 HA ALA 13 HA ALA 13 4.932 -18.528 7.580 77 HB1 ALA 13 1HB ALA 13 4.614 -20.260 9.340 78 HB2 ALA 13 2HB ALA 13 2.894 -19.814 9.427 79 HB3 ALA 13 3HB ALA 13 3.561 -20.484 7.929 80 H LYS 14 H LYS 14 2.107 -17.422 9.443 81 HA LYS 14 HA LYS 14 0.169 -18.072 7.752 82 HB3 LYS 14 2HB LYS 14 -0.093 -15.474 9.292 83 HG3 LYS 14 2HG LYS 14 -1.989 -17.159 8.163 84 HD3 LYS 14 2HD LYS 14 -1.809 -17.777 11.141 85 HE3 LYS 14 2HE LYS 14 -4.119 -17.496 9.965 86 HZ1 LYS 14 3HZ LYS 14 -4.881 -19.575 9.016 87 HZ2 LYS 14 1HZ LYS 14 -3.432 -20.252 9.150 88 HZ3 LYS 14 2HZ LYS 14 -3.651 -19.032 8.082 89 H PHE 15 H PHE 15 1.766 -14.838 7.693 90 HA PHE 15 HA PHE 15 0.145 -13.917 5.457 91 HB3 PHE 15 2HB PHE 15 1.522 -11.885 5.643 92 HD1 PHE 15 1HD PHE 15 -0.888 -11.491 6.353 93 HD2 PHE 15 2HD PHE 15 2.225 -12.654 9.104 94 HE1 PHE 15 1HE PHE 15 -2.300 -10.755 8.255 95 HE2 PHE 15 2HE PHE 15 0.826 -11.886 11.004 96 HZ PHE 15 HZ PHE 15 -1.435 -10.937 10.592 97 H ALA 16 H ALA 16 3.512 -15.020 6.035 98 HA ALA 16 HA ALA 16 4.731 -14.428 3.680 99 HB1 ALA 16 1HB ALA 16 5.899 -15.502 5.594 100 HB2 ALA 16 2HB ALA 16 5.085 -17.039 5.237 101 HB3 ALA 16 3HB ALA 16 6.238 -16.353 4.085 102 H HIS 17 H HIS 17 2.647 -17.223 4.230 103 HA HIS 17 HA HIS 17 3.076 -18.427 1.663 104 HB3 HIS 17 2HB HIS 17 0.887 -19.601 2.206 105 HD1 HIS 17 1HD HIS 17 3.494 -20.958 1.865 106 HD2 HIS 17 2HD HIS 17 2.130 -19.899 5.728 107 HE1 HIS 17 1HE HIS 17 4.813 -22.352 3.506 108 H ASP 18 H ASP 18 -0.011 -16.726 2.662 109 HA ASP 18 HA ASP 18 -0.003 -14.726 0.775 110 HB3 ASP 18 2HB ASP 18 -2.095 -16.549 -0.245 111 H ALA 19 H ALA 19 -2.428 -14.118 0.192 112 HA ALA 19 HA ALA 19 -4.590 -13.812 0.584 113 HB1 ALA 19 1HB ALA 19 -4.537 -16.126 2.527 114 HB2 ALA 19 2HB ALA 19 -5.888 -15.471 1.617 115 HB3 ALA 19 3HB ALA 19 -4.580 -16.317 0.766 116 H GLU 20 H GLU 20 -3.265 -14.697 3.741 117 HA GLU 20 HA GLU 20 -4.775 -12.650 5.244 118 HB3 GLU 20 2HB GLU 20 -3.057 -13.111 7.026 119 HG3 GLU 20 2HG GLU 20 -3.437 -15.579 7.361 120 H LEU 21 H LEU 21 -1.701 -13.023 3.496 121 HA LEU 21 HA LEU 21 -0.808 -10.349 4.249 122 HB3 LEU 21 2HB LEU 21 0.121 -12.333 2.100 123 HG LEU 21 HG LEU 21 0.993 -10.099 1.465 124 HD11 LEU 21 1HD1 LEU 21 2.592 -8.928 2.943 125 HD12 LEU 21 2HD1 LEU 21 2.301 -10.107 4.230 126 HD13 LEU 21 3HD1 LEU 21 0.993 -9.026 3.698 127 HD21 LEU 21 3HD2 LEU 21 3.130 -11.894 2.688 128 HD22 LEU 21 1HD2 LEU 21 3.347 -10.725 1.371 129 HD23 LEU 21 2HD2 LEU 21 2.345 -12.167 1.127 130 H ASN 22 H ASN 22 -2.697 -11.662 1.639 131 HA ASN 22 HA ASN 22 -2.234 -9.496 -0.209 132 HB3 ASN 22 2HB ASN 22 -4.266 -10.280 -1.338 133 HD21 ASN 22 1HD2 ASN 22 -4.501 -13.280 -1.588 134 HD22 ASN 22 2HD2 ASN 22 -2.907 -13.783 -2.074 135 H PHE 23 H PHE 23 -4.558 -10.121 2.399 136 HA PHE 23 HA PHE 23 -6.202 -7.798 1.825 137 HB3 PHE 23 2HB PHE 23 -6.980 -8.237 4.243 138 HD1 PHE 23 2HD PHE 23 -8.657 -8.085 2.148 139 HD2 PHE 23 1HD PHE 23 -6.835 -11.710 3.622 140 HE1 PHE 23 2HE PHE 23 -10.448 -9.430 1.088 141 HE2 PHE 23 1HE PHE 23 -8.631 -13.043 2.541 142 HZ PHE 23 HZ PHE 23 -10.443 -11.896 1.280 143 H LYS 24 H LYS 24 -3.459 -8.368 4.100 144 HA LYS 24 HA LYS 24 -3.683 -5.698 5.221 145 HB3 LYS 24 2HB LYS 24 -1.484 -6.348 6.224 146 HG3 LYS 24 2HG LYS 24 -2.805 -8.739 7.024 147 HD3 LYS 24 2HD LYS 24 -3.723 -7.204 8.860 148 HE3 LYS 24 2HE LYS 24 -0.778 -7.005 8.259 149 HZ1 LYS 24 3HZ LYS 24 -0.509 -7.116 10.583 150 HZ2 LYS 24 1HZ LYS 24 -2.110 -7.284 10.901 151 HZ3 LYS 24 2HZ LYS 24 -1.534 -5.866 10.281 152 H ALA 25 H ALA 25 -1.502 -7.232 2.791 153 HA ALA 25 HA ALA 25 0.232 -5.034 2.523 154 HB1 ALA 25 1HB ALA 25 0.917 -6.073 0.401 155 HB2 ALA 25 2HB ALA 25 0.790 -7.280 1.695 156 HB3 ALA 25 3HB ALA 25 -0.485 -7.161 0.461 157 H GLU 26 H GLU 26 -2.644 -5.928 0.417 158 HA GLU 26 HA GLU 26 -2.341 -3.688 -1.289 159 HB3 GLU 26 2HB GLU 26 -4.723 -4.012 -1.824 160 HG3 GLU 26 2HG GLU 26 -4.650 -6.005 -2.953 161 H ALA 27 H ALA 27 -3.631 -3.848 1.947 162 HA ALA 27 HA ALA 27 -4.989 -1.230 1.731 163 HB1 ALA 27 1HB ALA 27 -4.772 -3.109 4.106 164 HB2 ALA 27 2HB ALA 27 -5.924 -1.772 3.841 165 HB3 ALA 27 3HB ALA 27 -6.037 -3.238 2.859 166 H ARG 28 H ARG 28 -1.871 -2.215 2.246 167 HA ARG 28 HA ARG 28 -1.241 0.151 3.971 168 HB3 ARG 28 2HB ARG 28 1.061 -1.092 4.031 169 HG3 ARG 28 2HG ARG 28 0.356 -2.638 5.795 170 HD3 ARG 28 2HD ARG 28 -1.276 -0.310 6.558 171 HE ARG 28 HE ARG 28 0.070 -1.967 7.995 172 HH11 ARG 28 1HH1 ARG 28 1.445 1.224 7.084 173 HH12 ARG 28 2HH1 ARG 28 2.221 1.459 8.614 174 HH21 ARG 28 1HH2 ARG 28 1.234 -1.619 10.014 175 HH22 ARG 28 2HH2 ARG 28 2.204 -0.199 10.188 176 H ARG 29 H ARG 29 -0.456 -1.433 0.809 177 HA ARG 29 HA ARG 29 1.797 0.261 0.430 178 HB3 ARG 29 2HB ARG 29 2.092 -0.609 -1.685 179 HG3 ARG 29 2HG ARG 29 0.192 -2.830 -1.006 180 HD3 ARG 29 2HD ARG 29 2.579 -4.034 -1.055 181 HE ARG 29 HE ARG 29 1.037 -3.187 -3.454 182 HH11 ARG 29 1HH1 ARG 29 2.411 -5.881 -1.571 183 HH12 ARG 29 2HH1 ARG 29 1.316 -7.023 -2.308 184 HH21 ARG 29 1HH2 ARG 29 -0.075 -4.658 -4.482 185 HH22 ARG 29 2HH2 ARG 29 -0.242 -6.199 -3.835 186 H ASN 30 H ASN 30 -1.492 0.561 -0.974 187 HA ASN 30 HA ASN 30 -1.578 3.022 -2.061 188 HB3 ASN 30 2HB ASN 30 -3.837 3.217 -0.547 189 HD21 ASN 30 1HD2 ASN 30 -5.339 0.649 -1.621 190 HD22 ASN 30 2HD2 ASN 30 -5.285 1.039 -3.337 191 H ARG 31 H ARG 31 -1.779 2.581 1.529 192 HA ARG 31 HA ARG 31 -2.062 5.263 2.218 193 HB3 ARG 31 2HB ARG 31 -0.397 3.227 3.769 194 HG3 ARG 31 2HG ARG 31 -2.254 5.407 4.796 195 HD3 ARG 31 2HD ARG 31 -0.181 3.684 6.244 196 HE ARG 31 HE ARG 31 -2.283 5.009 7.749 197 HH11 ARG 31 1HH1 ARG 31 1.094 5.448 6.634 198 HH12 ARG 31 2HH1 ARG 31 1.107 7.079 7.135 199 HH21 ARG 31 1HH2 ARG 31 -2.011 6.974 8.746 200 HH22 ARG 31 2HH2 ARG 31 -0.464 7.787 8.751 201 H LEU 32 H LEU 32 0.960 3.516 1.588 202 HA LEU 32 HA LEU 32 2.805 5.569 2.336 203 HB3 LEU 32 2HB LEU 32 4.445 4.261 1.051 204 HG LEU 32 HG LEU 32 2.466 2.521 2.562 205 HD11 LEU 32 1HD1 LEU 32 3.550 0.544 2.207 206 HD12 LEU 32 2HD1 LEU 32 5.046 1.288 1.641 207 HD13 LEU 32 3HD1 LEU 32 3.628 1.250 0.577 208 HD21 LEU 32 3HD2 LEU 32 3.927 3.793 3.963 209 HD22 LEU 32 1HD2 LEU 32 5.361 3.288 3.032 210 HD23 LEU 32 2HD2 LEU 32 4.464 2.095 3.976 211 H LEU 33 H LEU 33 1.227 4.709 -0.778 212 HA LEU 33 HA LEU 33 2.734 6.609 -2.354 213 HB3 LEU 33 2HB LEU 33 0.161 5.168 -3.051 214 HG LEU 33 HG LEU 33 1.173 6.851 -4.732 215 HD11 LEU 33 1HD1 LEU 33 3.100 6.140 -6.021 216 HD12 LEU 33 2HD1 LEU 33 3.229 4.629 -5.123 217 HD13 LEU 33 3HD1 LEU 33 3.600 6.190 -4.326 218 HD21 LEU 33 3HD2 LEU 33 1.005 5.179 -6.635 219 HD22 LEU 33 1HD2 LEU 33 -0.364 5.217 -5.505 220 HD23 LEU 33 2HD2 LEU 33 0.819 3.904 -5.392 221 H GLY 34 H GLY 34 -0.516 6.538 -0.852 222 HA2 GLY 34 1HA GLY 34 -1.490 9.008 -1.797 223 HA3 GLY 34 2HA GLY 34 -1.908 8.258 -0.243 224 H GLU 35 H GLU 35 0.385 8.314 1.228 225 HA GLU 35 HA GLU 35 0.639 11.030 2.006 226 HB3 GLU 35 2HB GLU 35 2.624 10.118 3.361 227 HG3 GLU 35 2HG GLU 35 -0.089 8.746 3.575 228 H TRP 36 H TRP 36 2.417 9.209 -0.437 229 HA TRP 36 HA TRP 36 4.635 11.091 -0.723 230 HB3 TRP 36 2HB TRP 36 3.441 8.895 -2.414 231 HD1 TRP 36 HD TRP 36 6.793 10.789 -2.807 232 HE1 TRP 36 1HE TRP 36 7.254 11.041 -5.299 233 HE3 TRP 36 3HE TRP 36 2.444 8.791 -4.663 234 HZ2 TRP 36 2HZ TRP 36 5.888 10.519 -7.804 235 HZ3 TRP 36 3HZ TRP 36 2.074 8.669 -7.112 236 HH2 TRP 36 HH TRP 36 3.785 9.561 -8.684 237 H ALA 37 H ALA 37 1.636 10.485 -2.652 238 HA ALA 37 HA ALA 37 2.024 12.653 -4.384 239 HB1 ALA 37 1HB ALA 37 -0.519 11.228 -3.504 240 HB2 ALA 37 2HB ALA 37 -0.435 12.303 -4.915 241 HB3 ALA 37 3HB ALA 37 0.508 10.796 -4.878 242 H ALA 38 H ALA 38 0.274 12.626 -1.255 243 HA ALA 38 HA ALA 38 -0.807 15.226 -1.128 244 HB1 ALA 38 1HB ALA 38 -1.027 13.590 0.642 245 HB2 ALA 38 2HB ALA 38 0.727 13.615 0.954 246 HB3 ALA 38 3HB ALA 38 -0.241 15.060 1.260 247 H GLY 39 H GLY 39 2.681 14.285 -0.724 248 HA2 GLY 39 1HA GLY 39 3.612 16.886 0.035 249 HA3 GLY 39 2HA GLY 39 4.571 15.536 -0.563 250 H LEU 40 H LEU 40 2.903 15.413 -3.044 251 HA LEU 40 HA LEU 40 4.584 17.195 -4.651 252 HB3 LEU 40 2HB LEU 40 3.547 15.875 -6.497 253 HG LEU 40 HG LEU 40 4.361 14.021 -4.230 254 HD11 LEU 40 1HD1 LEU 40 4.115 13.773 -7.282 255 HD12 LEU 40 2HD1 LEU 40 3.330 12.757 -6.056 256 HD13 LEU 40 3HD1 LEU 40 5.075 12.658 -6.329 257 HD21 LEU 40 3HD2 LEU 40 6.597 14.040 -5.260 258 HD22 LEU 40 1HD2 LEU 40 6.168 15.664 -4.707 259 HD23 LEU 40 2HD2 LEU 40 6.055 15.242 -6.443 260 H LEU 41 H LEU 41 1.135 16.564 -4.068 261 HA LEU 41 HA LEU 41 0.012 18.649 -5.697 262 HB3 LEU 41 2HB LEU 41 -1.983 18.259 -4.225 263 HG LEU 41 HG LEU 41 -0.512 15.932 -5.521 264 HD11 LEU 41 1HD1 LEU 41 -2.116 14.345 -4.981 265 HD12 LEU 41 2HD1 LEU 41 -3.152 15.541 -4.192 266 HD13 LEU 41 3HD1 LEU 41 -1.628 15.056 -3.425 267 HD21 LEU 41 3HD2 LEU 41 -2.489 15.847 -6.938 268 HD22 LEU 41 1HD2 LEU 41 -1.861 17.514 -6.915 269 HD23 LEU 41 2HD2 LEU 41 -3.298 17.063 -5.954 270 H GLY 42 H GLY 42 1.119 18.376 -2.340 271 HA2 GLY 42 1HA GLY 42 2.593 19.998 -1.502 272 HA3 GLY 42 2HA GLY 42 1.711 21.272 -2.369 273 H LYS 43 H LYS 43 1.080 18.653 -0.064 274 HA LYS 43 HA LYS 43 -0.608 20.439 1.626 275 HB3 LYS 43 2HB LYS 43 -1.825 18.402 2.253 276 HG3 LYS 43 2HG LYS 43 -2.767 17.593 0.139 277 HD3 LYS 43 2HD LYS 43 -2.173 20.609 0.113 278 HE3 LYS 43 2HE LYS 43 -3.067 19.601 -2.059 279 HZ1 LYS 43 3HZ LYS 43 -4.787 18.227 -1.184 280 HZ2 LYS 43 1HZ LYS 43 -5.478 19.450 -2.031 281 HZ3 LYS 43 2HZ LYS 43 -5.497 19.476 -0.379 282 H THR 44 H THR 44 -0.600 19.920 3.875 283 HA THR 44 HA THR 44 1.722 18.445 4.969 284 HB THR 44 HB THR 44 2.433 20.456 6.233 285 HG1 THR 44 1HG THR 44 0.915 22.055 4.489 286 HG21 THR 44 3HG2 THR 44 2.528 21.091 3.261 287 HG22 THR 44 1HG2 THR 44 3.578 19.904 4.076 288 HG23 THR 44 2HG2 THR 44 3.634 21.605 4.525 289 H GLY 45 H GLY 45 1.546 19.165 7.600 290 HA2 GLY 45 1HA GLY 45 0.383 19.248 9.517 291 HA3 GLY 45 2HA GLY 45 -0.941 19.980 8.597 292 H ASP 46 H ASP 46 -2.792 18.793 8.288 293 HA ASP 46 HA ASP 46 -2.658 15.844 8.426 294 HB3 ASP 46 2HB ASP 46 -5.234 16.981 9.338 295 H ASP 47 H ASP 47 -3.230 18.518 6.517 296 HA ASP 47 HA ASP 47 -5.528 17.713 4.916 297 HB3 ASP 47 2HB ASP 47 -3.843 19.025 3.152 298 H ALA 48 H ALA 48 -2.067 17.073 5.000 299 HA ALA 48 HA ALA 48 -1.870 15.702 2.475 300 HB1 ALA 48 1HB ALA 48 0.106 16.692 3.579 301 HB2 ALA 48 2HB ALA 48 -0.153 15.694 5.026 302 HB3 ALA 48 3HB ALA 48 0.318 14.937 3.496 303 H ARG 49 H ARG 49 -2.561 14.816 5.810 304 HA ARG 49 HA ARG 49 -2.427 11.977 5.324 305 HB3 ARG 49 2HB ARG 49 -3.682 11.787 7.468 306 HG3 ARG 49 2HG ARG 49 -1.443 13.839 7.727 307 HD3 ARG 49 2HD ARG 49 -1.897 11.416 9.480 308 HE ARG 49 HE ARG 49 -1.669 13.999 10.664 309 HH11 ARG 49 1HH1 ARG 49 0.363 11.407 9.242 310 HH12 ARG 49 2HH1 ARG 49 1.764 11.847 10.160 311 HH21 ARG 49 1HH2 ARG 49 0.121 14.505 11.870 312 HH22 ARG 49 2HH2 ARG 49 1.569 13.534 11.867 313 H ALA 50 H ALA 50 -5.123 14.362 5.599 314 HA ALA 50 HA ALA 50 -7.237 12.676 5.215 315 HB1 ALA 50 1HB ALA 50 -6.973 15.494 4.093 316 HB2 ALA 50 2HB ALA 50 -8.487 14.617 4.399 317 HB3 ALA 50 3HB ALA 50 -7.440 15.068 5.756 318 H TYR 51 H TYR 51 -5.207 14.059 2.621 319 HA TYR 51 HA TYR 51 -6.601 13.112 0.360 320 HB3 TYR 51 2HB TYR 51 -3.623 13.359 0.839 321 HD1 TYR 51 2HD TYR 51 -5.675 14.740 -1.906 322 HD2 TYR 51 1HD TYR 51 -2.867 11.680 -0.727 323 HE1 TYR 51 2HE TYR 51 -5.209 14.232 -4.300 324 HE2 TYR 51 1HE TYR 51 -2.614 11.003 -3.092 325 HH TYR 51 HH TYR 51 -4.219 12.879 -5.700 326 H ALA 52 H ALA 52 -4.159 11.438 2.406 327 HA ALA 52 HA ALA 52 -3.770 9.156 0.753 328 HB1 ALA 52 1HB ALA 52 -3.622 9.323 3.790 329 HB2 ALA 52 2HB ALA 52 -2.817 8.136 2.743 330 HB3 ALA 52 3HB ALA 52 -2.305 9.835 2.684 331 H LEU 53 H LEU 53 -6.083 9.921 3.286 332 HA LEU 53 HA LEU 53 -6.814 7.299 3.933 333 HB3 LEU 53 2HB LEU 53 -8.550 8.208 5.276 334 HG LEU 53 HG LEU 53 -6.496 10.389 5.098 335 HD11 LEU 53 1HD1 LEU 53 -8.400 9.768 7.370 336 HD12 LEU 53 2HD1 LEU 53 -8.601 11.086 6.209 337 HD13 LEU 53 3HD1 LEU 53 -7.205 11.102 7.297 338 HD21 LEU 53 3HD2 LEU 53 -5.382 8.310 5.664 339 HD22 LEU 53 1HD2 LEU 53 -6.558 8.020 6.977 340 HD23 LEU 53 2HD2 LEU 53 -5.432 9.389 7.068 341 H THR 54 H THR 54 -7.807 8.898 1.101 342 HA THR 54 HA THR 54 -10.402 7.492 0.967 343 HB THR 54 HB THR 54 -10.601 9.750 0.448 344 HG1 THR 54 1HG THR 54 -10.559 8.317 -1.988 345 HG21 THR 54 3HG2 THR 54 -9.335 10.896 -1.421 346 HG22 THR 54 1HG2 THR 54 -8.175 9.570 -1.340 347 HG23 THR 54 2HG2 THR 54 -8.448 10.602 0.072 348 H VAL 55 H VAL 55 -7.111 7.410 -0.623 349 HA VAL 55 HA VAL 55 -8.205 5.745 -2.726 350 HB VAL 55 HB VAL 55 -5.336 6.511 -2.126 351 HG11 VAL 55 1HG1 VAL 55 -6.602 5.383 -4.671 352 HG12 VAL 55 2HG1 VAL 55 -4.977 6.105 -4.579 353 HG13 VAL 55 3HG1 VAL 55 -5.321 4.633 -3.683 354 HG21 VAL 55 3HG2 VAL 55 -6.645 8.522 -2.511 355 HG22 VAL 55 1HG2 VAL 55 -5.790 8.185 -4.003 356 HG23 VAL 55 2HG2 VAL 55 -7.507 7.778 -3.879 357 H VAL 56 H VAL 56 -7.193 4.998 0.416 358 HA VAL 56 HA VAL 56 -5.928 2.475 -0.037 359 HB VAL 56 HB VAL 56 -7.190 3.275 2.593 360 HG11 VAL 56 1HG1 VAL 56 -6.065 1.052 2.354 361 HG12 VAL 56 2HG1 VAL 56 -4.568 1.876 1.880 362 HG13 VAL 56 3HG1 VAL 56 -5.234 2.106 3.512 363 HG21 VAL 56 3HG2 VAL 56 -4.697 4.525 1.415 364 HG22 VAL 56 1HG2 VAL 56 -6.156 5.294 2.109 365 HG23 VAL 56 2HG2 VAL 56 -5.041 4.448 3.166 366 H THR 57 H THR 57 -7.653 1.883 -1.583 367 HA THR 57 HA THR 57 -9.238 -0.269 -0.589 368 HB THR 57 HB THR 57 -10.695 1.583 -0.005 369 HG1 THR 57 1HG THR 57 -12.191 0.682 -2.074 370 HG21 THR 57 3HG2 THR 57 -11.780 3.041 -1.601 371 HG22 THR 57 1HG2 THR 57 -10.802 2.399 -2.931 372 HG23 THR 57 2HG2 THR 57 -10.042 3.310 -1.611 373 H SER 58 H SER 58 -8.433 2.018 -3.246 374 HA SER 58 HA SER 58 -8.953 0.130 -5.391 375 HB3 SER 58 2HB SER 58 -7.534 2.044 -6.563 376 HG SER 58 HG SER 58 -9.591 1.735 -6.951 377 H ASP 59 H ASP 59 -7.777 -1.653 -4.847 378 HA ASP 59 HA ASP 59 -5.536 -1.905 -6.377 379 HB3 ASP 59 2HB ASP 59 -4.347 -2.718 -3.780 380 H PHE 60 H PHE 60 -7.559 -3.156 -3.835 381 HA PHE 60 HA PHE 60 -6.856 -5.966 -4.539 382 HB3 PHE 60 2HB PHE 60 -6.663 -5.077 -2.113 383 HD1 PHE 60 2HD PHE 60 -8.266 -3.039 -1.816 384 HD2 PHE 60 1HD PHE 60 -9.543 -7.139 -1.581 385 HE1 PHE 60 2HE PHE 60 -10.331 -2.344 -0.588 386 HE2 PHE 60 1HE PHE 60 -11.549 -6.468 -0.339 387 HZ PHE 60 HZ PHE 60 -11.962 -4.053 0.147 388 H ASP 61 H ASP 61 -9.104 -3.703 -5.392 389 HA ASP 61 HA ASP 61 -11.590 -4.975 -4.881 390 HB3 ASP 61 2HB ASP 61 -11.343 -3.286 -7.341 391 H GLU 62 H GLU 62 -9.133 -5.407 -7.356 392 HA GLU 62 HA GLU 62 -10.465 -7.825 -8.276 393 HB3 GLU 62 2HB GLU 62 -9.495 -6.881 -10.676 394 HG3 GLU 62 2HG GLU 62 -12.286 -6.248 -9.659 395 HA PRO 63 HA PRO 63 -6.239 -9.203 -8.292 396 HB3 PRO 63 2HB PRO 63 -7.163 -11.302 -8.727 397 HG3 PRO 63 2HG PRO 63 -8.763 -11.637 -10.484 398 HD3 PRO 63 2HD PRO 63 -9.693 -10.057 -8.991 399 H GLY 64 H GLY 64 -5.491 -7.043 -8.957 400 HA2 GLY 64 1HA GLY 64 -3.413 -6.635 -10.331 401 HA3 GLY 64 2HA GLY 64 -4.390 -6.999 -11.760 402 H ASP 65 H ASP 65 -6.730 -5.762 -11.228 403 HA ASP 65 HA ASP 65 -7.967 -3.886 -11.128 404 HB3 ASP 65 2HB ASP 65 -5.737 -2.716 -9.419 405 H GLU 66 H GLU 66 -4.745 -2.530 -11.329 406 HA GLU 66 HA GLU 66 -3.625 -1.145 -12.692 407 HB3 GLU 66 2HB GLU 66 -3.911 -1.296 -15.093 408 HG3 GLU 66 2HG GLU 66 -4.118 -4.180 -14.412 409 H ASP 67 H ASP 67 -6.885 -0.301 -12.084 410 HA ASP 67 HA ASP 67 -6.918 1.978 -13.950 411 HB3 ASP 67 2HB ASP 67 -8.845 0.761 -12.281 412 H VAL 68 H VAL 68 -5.807 1.206 -10.822 413 HA VAL 68 HA VAL 68 -5.379 3.534 -9.512 414 HB VAL 68 HB VAL 68 -3.699 1.001 -9.519 415 HG11 VAL 68 1HG1 VAL 68 -3.316 1.547 -7.108 416 HG12 VAL 68 2HG1 VAL 68 -2.588 2.765 -8.166 417 HG13 VAL 68 3HG1 VAL 68 -4.120 3.108 -7.335 418 HG21 VAL 68 3HG2 VAL 68 -5.990 0.407 -9.227 419 HG22 VAL 68 1HG2 VAL 68 -5.333 0.462 -7.597 420 HG23 VAL 68 2HG2 VAL 68 -6.305 1.826 -8.234 421 H PHE 69 H PHE 69 -3.361 2.332 -12.188 422 HA PHE 69 HA PHE 69 -1.188 4.233 -11.797 423 HB3 PHE 69 2HB PHE 69 -2.230 2.681 -14.191 424 HD1 PHE 69 2HD PHE 69 0.917 4.472 -13.087 425 HD2 PHE 69 1HD PHE 69 -1.971 3.828 -16.249 426 HE1 PHE 69 2HE PHE 69 2.266 5.861 -14.611 427 HE2 PHE 69 1HE PHE 69 -0.598 5.196 -17.761 428 HZ PHE 69 HZ PHE 69 1.518 6.230 -16.951 429 H ARG 70 H ARG 70 -4.124 4.139 -13.798 430 HA ARG 70 HA ARG 70 -3.795 6.697 -14.987 431 HB3 ARG 70 2HB ARG 70 -6.392 5.137 -14.634 432 HG3 ARG 70 2HG ARG 70 -6.494 5.743 -17.158 433 HD3 ARG 70 2HD ARG 70 -7.142 7.468 -14.828 434 HE ARG 70 HE ARG 70 -6.267 8.774 -17.113 435 HH11 ARG 70 1HH1 ARG 70 -9.195 8.719 -15.062 436 HH12 ARG 70 2HH1 ARG 70 -9.741 10.256 -15.676 437 HH21 ARG 70 1HH2 ARG 70 -6.771 10.918 -17.468 438 HH22 ARG 70 2HH2 ARG 70 -8.107 11.685 -16.729 439 H LYS 71 H LYS 71 -5.597 5.568 -12.076 440 HA LYS 71 HA LYS 71 -6.885 7.939 -11.315 441 HB3 LYS 71 2HB LYS 71 -5.950 6.810 -8.922 442 HG3 LYS 71 2HG LYS 71 -8.366 5.922 -10.534 443 HD3 LYS 71 2HD LYS 71 -7.694 5.751 -7.559 444 HE3 LYS 71 2HE LYS 71 -10.169 6.020 -8.219 445 HZ1 LYS 71 3HZ LYS 71 -11.176 3.893 -8.953 446 HZ2 LYS 71 1HZ LYS 71 -9.671 3.240 -9.122 447 HZ3 LYS 71 2HZ LYS 71 -10.077 4.394 -10.092 448 H LEU 72 H LEU 72 -3.536 6.868 -10.459 449 HA LEU 72 HA LEU 72 -2.999 9.259 -8.940 450 HB3 LEU 72 2HB LEU 72 -0.520 8.367 -9.497 451 HG LEU 72 HG LEU 72 -0.684 6.609 -7.737 452 HD11 LEU 72 1HD1 LEU 72 -1.850 9.293 -6.959 453 HD12 LEU 72 2HD1 LEU 72 -0.145 8.945 -7.303 454 HD13 LEU 72 3HD1 LEU 72 -0.923 8.159 -5.926 455 HD21 LEU 72 3HD2 LEU 72 -3.587 7.480 -7.411 456 HD22 LEU 72 1HD2 LEU 72 -2.671 6.408 -6.337 457 HD23 LEU 72 2HD2 LEU 72 -3.039 5.891 -7.975 458 H ALA 73 H ALA 73 -2.273 8.297 -12.340 459 HA ALA 73 HA ALA 73 -0.810 10.680 -12.957 460 HB1 ALA 73 1HB ALA 73 -1.282 10.070 -15.306 461 HB2 ALA 73 2HB ALA 73 -0.688 8.683 -14.368 462 HB3 ALA 73 3HB ALA 73 -2.413 8.815 -14.755 463 H ALA 74 H ALA 74 -4.267 10.120 -12.666 464 HA ALA 74 HA ALA 74 -4.972 12.693 -13.918 465 HB1 ALA 74 1HB ALA 74 -7.263 12.037 -13.378 466 HB2 ALA 74 2HB ALA 74 -6.444 10.679 -14.150 467 HB3 ALA 74 3HB ALA 74 -6.688 10.675 -12.393 468 H ASP 75 H ASP 75 -3.306 12.204 -11.214 469 HA ASP 75 HA ASP 75 -4.760 14.290 -9.663 470 HB3 ASP 75 2HB ASP 75 -3.117 12.827 -7.869 471 H LEU 76 H LEU 76 -1.538 12.659 -10.022 472 HA LEU 76 HA LEU 76 -0.102 15.157 -9.614 473 HB3 LEU 76 2HB LEU 76 1.847 13.689 -10.128 474 HG LEU 76 HG LEU 76 2.053 12.545 -8.265 475 HD11 LEU 76 1HD1 LEU 76 0.941 13.594 -6.390 476 HD12 LEU 76 2HD1 LEU 76 -0.357 14.200 -7.430 477 HD13 LEU 76 3HD1 LEU 76 1.298 14.822 -7.610 478 HD21 LEU 76 3HD2 LEU 76 -0.856 11.779 -8.184 479 HD22 LEU 76 1HD2 LEU 76 0.475 11.183 -7.159 480 HD23 LEU 76 2HD2 LEU 76 0.474 10.830 -8.899 481 H GLU 77 H GLU 77 -2.001 15.170 -11.807 482 HA GLU 77 HA GLU 77 -0.698 14.975 -14.348 483 HB3 GLU 77 2HB GLU 77 -2.964 16.832 -13.522 484 HG3 GLU 77 2HG GLU 77 -2.618 15.250 -16.097 485 H GLY 78 H GLY 78 1.311 15.982 -14.476 486 HA2 GLY 78 1HA GLY 78 2.673 17.847 -14.832 487 HA3 GLY 78 2HA GLY 78 1.476 18.879 -14.060 488 H LYS 79 H LYS 79 2.269 16.050 -12.257 489 HA LYS 79 HA LYS 79 4.276 17.521 -10.596 490 HB3 LYS 79 2HB LYS 79 3.272 16.304 -8.633 491 HG3 LYS 79 2HG LYS 79 1.184 17.568 -8.338 492 HD3 LYS 79 2HD LYS 79 3.296 19.337 -9.599 493 HE3 LYS 79 2HE LYS 79 1.246 19.586 -7.372 494 HZ1 LYS 79 3HZ LYS 79 3.289 20.504 -6.543 495 HZ2 LYS 79 1HZ LYS 79 2.242 21.707 -6.877 496 HZ3 LYS 79 2HZ LYS 79 3.505 21.426 -7.892 497 H ALA 80 H ALA 80 3.117 14.282 -11.796 498 HA ALA 80 HA ALA 80 5.846 13.335 -11.451 499 HB1 ALA 80 1HB ALA 80 4.872 12.786 -9.244 500 HB2 ALA 80 2HB ALA 80 3.518 11.941 -10.054 501 HB3 ALA 80 3HB ALA 80 5.171 11.324 -10.199 502 H ASP 81 H ASP 81 6.295 12.136 -13.092 503 HA ASP 81 HA ASP 81 4.393 11.887 -15.268 504 HB3 ASP 81 2HB ASP 81 6.368 11.145 -16.555 505 H GLU 82 H GLU 82 4.468 9.789 -16.618 506 HA GLU 82 HA GLU 82 3.687 7.420 -15.317 507 HB3 GLU 82 2HB GLU 82 5.094 7.856 -17.994 508 HG3 GLU 82 2HG GLU 82 3.709 5.697 -18.518 509 H GLU 83 H GLU 83 6.860 8.510 -16.337 510 HA GLU 83 HA GLU 83 8.573 6.464 -15.718 511 HB3 GLU 83 2HB GLU 83 9.119 9.417 -15.297 512 HG3 GLU 83 2HG GLU 83 10.796 7.199 -16.565 513 H THR 84 H THR 84 6.817 8.451 -13.474 514 HA THR 84 HA THR 84 8.600 7.766 -11.203 515 HB THR 84 HB THR 84 6.589 10.040 -11.417 516 HG1 THR 84 1HG THR 84 9.321 10.311 -12.097 517 HG21 THR 84 3HG2 THR 84 9.126 9.774 -9.754 518 HG22 THR 84 1HG2 THR 84 7.464 9.525 -9.176 519 HG23 THR 84 2HG2 THR 84 7.974 11.130 -9.725 520 H ILE 85 H ILE 85 5.091 8.292 -12.035 521 HA ILE 85 HA ILE 85 3.992 7.308 -9.673 522 HB ILE 85 HB ILE 85 3.073 7.082 -12.543 523 HG13 ILE 85 2HG1 ILE 85 3.525 9.454 -11.504 524 HG21 ILE 85 1HG2 ILE 85 1.730 5.526 -11.115 525 HG22 ILE 85 2HG2 ILE 85 1.374 6.846 -9.999 526 HG23 ILE 85 3HG2 ILE 85 0.728 6.853 -11.653 527 HD11 ILE 85 3HD1 ILE 85 2.022 9.272 -13.447 528 HD12 ILE 85 1HD1 ILE 85 0.664 8.888 -12.364 529 HD13 ILE 85 2HD1 ILE 85 1.429 10.470 -12.273 530 H ARG 86 H ARG 86 4.625 5.405 -12.707 531 HA ARG 86 HA ARG 86 3.779 2.924 -11.438 532 HB3 ARG 86 2HB ARG 86 5.394 2.071 -13.496 533 HG3 ARG 86 2HG ARG 86 3.178 2.753 -14.962 534 HD3 ARG 86 2HD ARG 86 2.041 0.686 -13.772 535 HE ARG 86 HE ARG 86 3.797 0.811 -15.892 536 HH11 ARG 86 1HH1 ARG 86 2.960 -1.647 -13.451 537 HH12 ARG 86 2HH1 ARG 86 3.426 -2.961 -14.486 538 HH21 ARG 86 1HH2 ARG 86 4.081 -0.957 -17.291 539 HH22 ARG 86 2HH2 ARG 86 3.787 -2.578 -16.730 540 H ALA 87 H ALA 87 6.745 4.741 -11.582 541 HA ALA 87 HA ALA 87 8.478 2.609 -10.695 542 HB1 ALA 87 1HB ALA 87 10.152 4.287 -10.211 543 HB2 ALA 87 2HB ALA 87 9.390 4.631 -11.774 544 HB3 ALA 87 3HB ALA 87 8.970 5.591 -10.335 545 H LYS 88 H LYS 88 7.110 5.356 -8.840 546 HA LYS 88 HA LYS 88 7.780 4.483 -6.253 547 HB3 LYS 88 2HB LYS 88 5.659 5.834 -5.585 548 HG3 LYS 88 2HG LYS 88 6.473 7.991 -6.515 549 HD3 LYS 88 2HD LYS 88 8.686 8.103 -5.664 550 HE3 LYS 88 2HE LYS 88 6.601 7.368 -4.029 551 HZ1 LYS 88 3HZ LYS 88 8.943 5.594 -3.578 552 HZ2 LYS 88 1HZ LYS 88 7.384 5.127 -3.656 553 HZ3 LYS 88 2HZ LYS 88 7.938 5.996 -2.357 554 H MET 89 H MET 89 4.856 3.703 -8.198 555 HA MET 89 HA MET 89 3.617 2.232 -6.090 556 HB3 MET 89 2HB MET 89 3.229 2.109 -9.099 557 HG3 MET 89 2HG MET 89 1.556 1.172 -6.731 558 HE1 MET 89 3HE MET 89 -0.253 1.447 -11.006 559 HE2 MET 89 1HE MET 89 1.347 2.120 -10.642 560 HE3 MET 89 2HE MET 89 1.082 0.353 -10.592 561 H VAL 90 H VAL 90 6.137 1.264 -8.463 562 HA VAL 90 HA VAL 90 6.034 -1.540 -7.651 563 HB VAL 90 HB VAL 90 8.035 0.091 -9.258 564 HG11 VAL 90 1HG1 VAL 90 8.035 -2.899 -8.607 565 HG12 VAL 90 2HG1 VAL 90 9.017 -2.103 -9.857 566 HG13 VAL 90 3HG1 VAL 90 9.286 -1.729 -8.159 567 HG21 VAL 90 3HG2 VAL 90 6.162 -2.177 -10.013 568 HG22 VAL 90 1HG2 VAL 90 5.810 -0.462 -10.332 569 HG23 VAL 90 2HG2 VAL 90 7.203 -1.215 -11.105 570 H GLU 91 H GLU 91 8.027 1.349 -6.847 571 HA GLU 91 HA GLU 91 9.937 0.126 -5.187 572 HB3 GLU 91 2HB GLU 91 8.813 2.893 -4.733 573 HG3 GLU 91 2HG GLU 91 11.715 2.104 -5.184 574 H LEU 92 H LEU 92 6.653 0.512 -4.567 575 HA LEU 92 HA LEU 92 6.969 0.229 -1.606 576 HB3 LEU 92 2HB LEU 92 4.481 0.790 -1.681 577 HG LEU 92 HG LEU 92 6.415 2.812 -2.966 578 HD11 LEU 92 1HD1 LEU 92 4.758 4.527 -2.178 579 HD12 LEU 92 2HD1 LEU 92 3.616 3.191 -1.873 580 HD13 LEU 92 3HD1 LEU 92 4.208 3.485 -3.503 581 HD21 LEU 92 3HD2 LEU 92 7.185 2.135 -0.747 582 HD22 LEU 92 1HD2 LEU 92 5.586 2.483 -0.087 583 HD23 LEU 92 2HD2 LEU 92 6.565 3.795 -0.732 584 H ARG 93 H ARG 93 6.482 -1.617 -4.416 585 HA ARG 93 HA ARG 93 4.309 -3.254 -3.478 586 HB3 ARG 93 2HB ARG 93 6.077 -4.172 -5.713 587 HG3 ARG 93 2HG ARG 93 3.656 -4.991 -4.989 588 HD3 ARG 93 2HD ARG 93 2.863 -2.477 -5.093 589 HE ARG 93 HE ARG 93 3.246 -1.597 -7.102 590 HH11 ARG 93 1HH1 ARG 93 1.799 -4.801 -7.723 591 HH12 ARG 93 2HH1 ARG 93 1.370 -4.460 -9.372 592 HH21 ARG 93 1HH2 ARG 93 2.747 -1.190 -9.312 593 HH22 ARG 93 2HH2 ARG 93 2.020 -2.368 -10.333 594 H ALA 94 H ALA 94 7.800 -3.921 -4.103 595 HA ALA 94 HA ALA 94 7.661 -6.432 -2.636 596 HB1 ALA 94 1HB ALA 94 10.094 -4.976 -3.745 597 HB2 ALA 94 2HB ALA 94 9.947 -6.691 -3.342 598 HB3 ALA 94 3HB ALA 94 9.055 -6.021 -4.722 599 H THR 95 H THR 95 7.881 -3.228 -1.626 600 HA THR 95 HA THR 95 9.592 -3.766 0.704 601 HB THR 95 HB THR 95 8.114 -1.207 -0.058 602 HG1 THR 95 1HG THR 95 10.836 -1.816 -0.596 603 HG21 THR 95 3HG2 THR 95 9.736 -0.083 1.305 604 HG22 THR 95 1HG2 THR 95 10.608 -1.603 1.654 605 HG23 THR 95 2HG2 THR 95 8.976 -1.331 2.293 606 H ALA 96 H ALA 96 6.225 -2.539 0.079 607 HA ALA 96 HA ALA 96 5.460 -2.328 2.748 608 HB1 ALA 96 1HB ALA 96 3.750 -2.852 0.350 609 HB2 ALA 96 2HB ALA 96 3.203 -2.178 1.906 610 HB3 ALA 96 3HB ALA 96 4.330 -1.262 0.872 611 H ARG 97 H ARG 97 5.558 -5.135 0.646 612 HA ARG 97 HA ARG 97 3.797 -6.921 2.019 613 HB3 ARG 97 2HB ARG 97 5.286 -8.691 0.949 614 HG3 ARG 97 2HG ARG 97 4.264 -6.449 -0.818 615 HD3 ARG 97 2HD ARG 97 5.978 -8.132 -1.862 616 HE ARG 97 HE ARG 97 3.651 -9.857 -1.234 617 HH11 ARG 97 1HH1 ARG 97 6.687 -9.761 -3.163 618 HH12 ARG 97 2HH1 ARG 97 6.700 -11.496 -3.287 619 HH21 ARG 97 1HH2 ARG 97 3.703 -12.059 -1.566 620 HH22 ARG 97 2HH2 ARG 97 4.898 -12.746 -2.607 621 H GLU 98 H GLU 98 7.442 -6.687 2.316 622 HA GLU 98 HA GLU 98 7.562 -8.404 4.546 623 HB3 GLU 98 2HB GLU 98 9.852 -7.357 4.677 624 HG3 GLU 98 2HG GLU 98 10.710 -7.882 2.444 625 H GLN 99 H GLN 99 7.252 -4.834 4.245 626 HA GLN 99 HA GLN 99 7.481 -4.054 6.831 627 HB3 GLN 99 2HB GLN 99 5.432 -2.527 5.620 628 HG3 GLN 99 2HG GLN 99 8.425 -2.167 5.211 629 HE21 GLN 99 1HE2 GLN 99 9.036 0.083 4.844 630 HE22 GLN 99 2HE2 GLN 99 7.842 1.266 4.366 631 H ILE 100 H ILE 100 4.823 -6.029 5.557 632 HA ILE 100 HA ILE 100 2.860 -5.310 7.529 633 HB ILE 100 HB ILE 100 3.416 -7.833 5.921 634 HG13 ILE 100 2HG1 ILE 100 1.301 -7.123 4.679 635 HG21 ILE 100 1HG2 ILE 100 1.012 -7.363 7.663 636 HG22 ILE 100 2HG2 ILE 100 1.112 -8.621 6.413 637 HG23 ILE 100 3HG2 ILE 100 2.202 -8.670 7.789 638 HD11 ILE 100 3HD1 ILE 100 0.439 -4.925 4.822 639 HD12 ILE 100 1HD1 ILE 100 0.469 -5.508 6.494 640 HD13 ILE 100 2HD1 ILE 100 1.726 -4.397 5.911 641 H ILE 101 H ILE 101 5.486 -7.823 7.554 642 HA ILE 101 HA ILE 101 4.851 -8.657 10.223 643 HB ILE 101 HB ILE 101 7.298 -9.017 8.447 644 HG13 ILE 101 2HG1 ILE 101 6.318 -11.320 8.182 645 HG21 ILE 101 1HG2 ILE 101 7.804 -10.943 9.972 646 HG22 ILE 101 2HG2 ILE 101 7.971 -9.347 10.715 647 HG23 ILE 101 3HG2 ILE 101 6.545 -10.342 11.078 648 HD11 ILE 101 3HD1 ILE 101 4.571 -11.231 9.971 649 HD12 ILE 101 1HD1 ILE 101 3.657 -10.124 8.915 650 HD13 ILE 101 2HD1 ILE 101 4.042 -11.757 8.368 651 H SER 102 H SER 102 6.953 -6.287 8.682 652 HA SER 102 HA SER 102 8.526 -5.707 10.995 653 HB3 SER 102 2HB SER 102 7.764 -3.803 8.804 654 HG SER 102 HG SER 102 9.237 -3.289 10.687 655 H GLU 103 H GLU 103 5.168 -5.028 10.445 656 HA GLU 103 HA GLU 103 5.162 -2.692 12.242 657 HB3 GLU 103 2HB GLU 103 3.637 -3.195 10.113 658 HG3 GLU 103 2HG GLU 103 2.467 -5.169 11.431 659 H ILE 104 H ILE 104 4.842 -6.124 12.339 660 HA ILE 104 HA ILE 104 3.288 -6.145 14.829 661 HB ILE 104 HB ILE 104 4.667 -8.612 13.850 662 HG13 ILE 104 2HG1 ILE 104 3.661 -7.621 11.788 663 HG21 ILE 104 1HG2 ILE 104 2.835 -9.720 14.906 664 HG22 ILE 104 2HG2 ILE 104 3.155 -8.340 15.953 665 HG23 ILE 104 3HG2 ILE 104 1.809 -8.270 14.823 666 HD11 ILE 104 3HD1 ILE 104 2.722 -9.725 11.044 667 HD12 ILE 104 1HD1 ILE 104 4.113 -10.051 12.082 668 HD13 ILE 104 2HD1 ILE 104 2.462 -10.254 12.707 Start of MODEL 10 1 H1 MET 1 H MET 1 -11.845 -17.401 19.405 2 HA MET 1 HA MET 1 -10.788 -16.353 17.530 3 HB3 MET 1 2HB MET 1 -12.129 -14.209 19.198 4 HG3 MET 1 2HG MET 1 -13.138 -13.942 16.745 5 HE1 MET 1 3HE MET 1 -12.139 -10.515 18.077 6 HE2 MET 1 1HE MET 1 -13.436 -11.491 17.347 7 HE3 MET 1 2HE MET 1 -12.708 -11.989 18.883 8 H THR 2 H THR 2 -9.574 -14.965 20.682 9 HA THR 2 HA THR 2 -7.660 -13.251 19.452 10 HB THR 2 HB THR 2 -7.165 -14.648 22.077 11 HG1 THR 2 1HG THR 2 -9.439 -13.137 21.485 12 HG21 THR 2 3HG2 THR 2 -6.532 -12.413 22.842 13 HG22 THR 2 1HG2 THR 2 -6.997 -11.712 21.275 14 HG23 THR 2 2HG2 THR 2 -5.630 -12.839 21.390 15 H THR 3 H THR 3 -5.237 -13.667 19.380 16 HA THR 3 HA THR 3 -4.542 -16.503 18.880 17 HB THR 3 HB THR 3 -2.493 -15.404 17.839 18 HG1 THR 3 1HG THR 3 -2.389 -13.379 18.398 19 HG21 THR 3 3HG2 THR 3 -3.648 -14.755 15.782 20 HG22 THR 3 1HG2 THR 3 -5.199 -14.653 16.636 21 HG23 THR 3 2HG2 THR 3 -4.373 -16.218 16.455 22 H PHE 4 H PHE 4 -2.821 -17.481 19.986 23 HA PHE 4 HA PHE 4 -1.206 -16.076 21.903 24 HB3 PHE 4 2HB PHE 4 -2.898 -18.112 23.332 25 HD1 PHE 4 2HD PHE 4 -0.393 -17.689 24.437 26 HD2 PHE 4 1HD PHE 4 -3.731 -14.945 24.497 27 HE1 PHE 4 2HE PHE 4 0.525 -16.609 26.456 28 HE2 PHE 4 1HE PHE 4 -2.811 -13.871 26.526 29 HZ PHE 4 HZ PHE 4 -0.685 -14.704 27.529 30 H ASP 5 H ASP 5 0.478 -17.099 20.597 31 HA ASP 5 HA ASP 5 0.890 -19.906 21.220 32 HB3 ASP 5 2HB ASP 5 1.622 -20.263 18.752 33 H ASP 6 H ASP 6 3.195 -20.545 20.623 34 HA ASP 6 HA ASP 6 4.899 -18.356 21.519 35 HB3 ASP 6 2HB ASP 6 4.859 -20.806 22.394 36 H ARG 7 H ARG 7 4.180 -17.367 19.347 37 HA ARG 7 HA ARG 7 4.573 -16.640 17.238 38 HB3 ARG 7 2HB ARG 7 7.274 -17.394 16.701 39 HG3 ARG 7 2HG ARG 7 6.142 -14.837 17.947 40 HD3 ARG 7 2HD ARG 7 8.086 -13.819 16.591 41 HE ARG 7 HE ARG 7 8.769 -15.421 19.029 42 HH11 ARG 7 1HH1 ARG 7 8.763 -12.159 17.440 43 HH12 ARG 7 2HH1 ARG 7 9.757 -11.516 18.687 44 HH21 ARG 7 1HH2 ARG 7 9.804 -14.438 20.662 45 HH22 ARG 7 2HH2 ARG 7 10.083 -12.704 20.677 46 H GLU 8 H GLU 8 4.420 -19.773 17.921 47 HA GLU 8 HA GLU 8 5.423 -21.155 15.762 48 HB3 GLU 8 2HB GLU 8 3.234 -22.704 16.682 49 HG3 GLU 8 2HG GLU 8 4.951 -23.917 17.941 50 H ARG 9 H ARG 9 5.000 -21.020 13.736 51 HA ARG 9 HA ARG 9 4.000 -20.543 11.772 52 HB3 ARG 9 2HB ARG 9 1.589 -21.559 11.514 53 HG3 ARG 9 2HG ARG 9 3.866 -22.613 10.820 54 HD3 ARG 9 2HD ARG 9 2.747 -24.102 13.184 55 HE ARG 9 HE ARG 9 3.267 -25.524 11.126 56 HH11 ARG 9 1HH1 ARG 9 5.513 -25.009 13.833 57 HH12 ARG 9 2HH1 ARG 9 6.618 -26.244 13.369 58 HH21 ARG 9 1HH2 ARG 9 4.596 -27.280 10.582 59 HH22 ARG 9 2HH2 ARG 9 5.990 -27.690 11.517 60 H ALA 10 H ALA 10 3.903 -18.497 13.749 61 HA ALA 10 HA ALA 10 1.375 -17.057 13.088 62 HB1 ALA 10 1HB ALA 10 1.256 -18.174 15.318 63 HB2 ALA 10 2HB ALA 10 2.666 -17.224 15.835 64 HB3 ALA 10 3HB ALA 10 1.153 -16.411 15.413 65 H HIS 11 H HIS 11 4.688 -16.925 12.830 66 HA HIS 11 HA HIS 11 4.415 -14.075 12.220 67 HB3 HIS 11 2HB HIS 11 5.678 -14.283 14.375 68 HD1 HIS 11 1HD HIS 11 8.982 -13.612 13.465 69 HD2 HIS 11 2HD HIS 11 6.724 -17.133 14.131 70 HE1 HIS 11 1HE HIS 11 10.637 -15.460 13.995 71 H GLU 12 H GLU 12 6.841 -16.504 12.042 72 HA GLU 12 HA GLU 12 7.810 -15.821 9.534 73 HB3 GLU 12 2HB GLU 12 8.896 -16.977 11.455 74 HG3 GLU 12 2HG GLU 12 7.609 -19.468 10.256 75 H ALA 13 H ALA 13 5.273 -18.075 10.350 76 HA ALA 13 HA ALA 13 5.170 -19.131 7.573 77 HB1 ALA 13 1HB ALA 13 4.908 -20.645 9.578 78 HB2 ALA 13 2HB ALA 13 3.310 -19.876 9.833 79 HB3 ALA 13 3HB ALA 13 3.643 -20.762 8.350 80 H LYS 14 H LYS 14 2.958 -17.380 9.820 81 HA LYS 14 HA LYS 14 0.733 -17.689 8.320 82 HB3 LYS 14 2HB LYS 14 0.806 -15.001 9.622 83 HG3 LYS 14 2HG LYS 14 -1.252 -16.553 9.013 84 HD3 LYS 14 2HD LYS 14 -0.484 -17.665 11.719 85 HE3 LYS 14 2HE LYS 14 -2.281 -18.905 9.610 86 HZ1 LYS 14 3HZ LYS 14 -1.649 -19.682 12.396 87 HZ2 LYS 14 1HZ LYS 14 -1.066 -20.465 11.046 88 HZ3 LYS 14 2HZ LYS 14 -2.670 -20.476 11.438 89 H PHE 15 H PHE 15 3.163 -15.436 7.402 90 HA PHE 15 HA PHE 15 1.295 -14.122 5.495 91 HB3 PHE 15 2HB PHE 15 2.869 -12.232 5.614 92 HD1 PHE 15 1HD PHE 15 0.603 -11.475 6.463 93 HD2 PHE 15 2HD PHE 15 3.454 -13.371 9.059 94 HE1 PHE 15 1HE PHE 15 -0.617 -10.599 8.422 95 HE2 PHE 15 2HE PHE 15 2.241 -12.495 11.031 96 HZ PHE 15 HZ PHE 15 0.210 -11.107 10.730 97 H ALA 16 H ALA 16 4.300 -15.981 5.837 98 HA ALA 16 HA ALA 16 5.131 -15.915 3.096 99 HB1 ALA 16 1HB ALA 16 5.445 -18.170 5.127 100 HB2 ALA 16 2HB ALA 16 6.458 -17.846 3.702 101 HB3 ALA 16 3HB ALA 16 6.470 -16.720 5.069 102 H HIS 17 H HIS 17 2.638 -17.742 4.808 103 HA HIS 17 HA HIS 17 1.927 -19.522 2.654 104 HB3 HIS 17 2HB HIS 17 -0.315 -19.436 4.073 105 HD1 HIS 17 1HD HIS 17 0.067 -21.994 3.613 106 HD2 HIS 17 2HD HIS 17 2.890 -20.240 6.154 107 HE1 HIS 17 1HE HIS 17 1.307 -23.886 4.756 108 H ASP 18 H ASP 18 1.699 -16.149 2.770 109 HA ASP 18 HA ASP 18 0.762 -14.624 1.546 110 HB3 ASP 18 2HB ASP 18 -0.297 -14.962 -0.553 111 H ALA 19 H ALA 19 -2.025 -14.839 0.424 112 HA ALA 19 HA ALA 19 -3.993 -13.974 0.971 113 HB1 ALA 19 1HB ALA 19 -5.342 -15.367 2.506 114 HB2 ALA 19 2HB ALA 19 -4.468 -16.288 1.282 115 HB3 ALA 19 3HB ALA 19 -3.874 -16.258 2.961 116 H GLU 20 H GLU 20 -2.713 -14.642 4.240 117 HA GLU 20 HA GLU 20 -4.107 -12.357 5.455 118 HB3 GLU 20 2HB GLU 20 -2.366 -12.853 7.318 119 HG3 GLU 20 2HG GLU 20 -4.776 -13.544 7.398 120 H LEU 21 H LEU 21 -0.866 -13.118 4.193 121 HA LEU 21 HA LEU 21 0.357 -10.557 4.613 122 HB3 LEU 21 2HB LEU 21 0.657 -12.601 2.368 123 HG LEU 21 HG LEU 21 1.639 -10.218 1.846 124 HD11 LEU 21 1HD1 LEU 21 2.646 -9.963 4.161 125 HD12 LEU 21 2HD1 LEU 21 3.783 -9.710 2.823 126 HD13 LEU 21 3HD1 LEU 21 3.805 -11.226 3.729 127 HD21 LEU 21 3HD2 LEU 21 2.146 -12.200 0.531 128 HD22 LEU 21 1HD2 LEU 21 3.339 -12.719 1.729 129 HD23 LEU 21 2HD2 LEU 21 3.610 -11.243 0.794 130 H ASN 22 H ASN 22 -1.449 -11.830 1.864 131 HA ASN 22 HA ASN 22 -1.050 -9.561 0.253 132 HB3 ASN 22 2HB ASN 22 -2.985 -10.387 -1.064 133 HD21 ASN 22 1HD2 ASN 22 -2.966 -13.140 -1.593 134 HD22 ASN 22 2HD2 ASN 22 -1.349 -13.597 -2.069 135 H PHE 23 H PHE 23 -3.384 -10.166 2.777 136 HA PHE 23 HA PHE 23 -5.211 -7.981 2.166 137 HB3 PHE 23 2HB PHE 23 -5.156 -8.443 4.966 138 HD1 PHE 23 1HD PHE 23 -6.567 -9.859 1.774 139 HD2 PHE 23 2HD PHE 23 -7.322 -8.607 5.846 140 HE1 PHE 23 1HE PHE 23 -9.003 -10.196 1.446 141 HE2 PHE 23 2HE PHE 23 -9.748 -8.976 5.489 142 HZ PHE 23 HZ PHE 23 -10.574 -9.785 3.313 143 H LYS 24 H LYS 24 -2.607 -8.310 4.677 144 HA LYS 24 HA LYS 24 -2.619 -5.605 5.459 145 HB3 LYS 24 2HB LYS 24 -0.305 -6.006 6.129 146 HG3 LYS 24 2HG LYS 24 -0.742 -8.368 7.342 147 HD3 LYS 24 2HD LYS 24 -2.151 -5.802 8.185 148 HE3 LYS 24 2HE LYS 24 -0.717 -8.028 9.702 149 HZ1 LYS 24 3HZ LYS 24 -0.756 -5.659 10.644 150 HZ2 LYS 24 1HZ LYS 24 -1.342 -6.866 11.634 151 HZ3 LYS 24 2HZ LYS 24 -2.367 -5.879 10.818 152 H ALA 25 H ALA 25 -0.717 -7.263 2.933 153 HA ALA 25 HA ALA 25 0.954 -5.169 2.183 154 HB1 ALA 25 1HB ALA 25 1.346 -6.478 0.138 155 HB2 ALA 25 2HB ALA 25 1.341 -7.505 1.587 156 HB3 ALA 25 3HB ALA 25 -0.068 -7.485 0.497 157 H GLU 26 H GLU 26 -2.193 -6.176 0.699 158 HA GLU 26 HA GLU 26 -2.453 -4.337 -1.343 159 HB3 GLU 26 2HB GLU 26 -4.541 -5.468 0.583 160 HG3 GLU 26 2HG GLU 26 -5.089 -3.710 -1.500 161 H ALA 27 H ALA 27 -3.577 -3.969 2.037 162 HA ALA 27 HA ALA 27 -4.564 -1.337 1.680 163 HB1 ALA 27 1HB ALA 27 -4.527 -1.183 4.154 164 HB2 ALA 27 2HB ALA 27 -5.227 -2.706 3.575 165 HB3 ALA 27 3HB ALA 27 -3.566 -2.679 4.204 166 H ARG 28 H ARG 28 -1.510 -2.447 3.169 167 HA ARG 28 HA ARG 28 -0.436 0.103 3.782 168 HB3 ARG 28 2HB ARG 28 1.758 -1.083 3.813 169 HG3 ARG 28 2HG ARG 28 0.995 -3.146 5.294 170 HD3 ARG 28 2HD ARG 28 0.601 -1.843 7.263 171 HE ARG 28 HE ARG 28 2.843 -1.353 5.623 172 HH11 ARG 28 1HH1 ARG 28 1.259 -0.155 8.610 173 HH12 ARG 28 2HH1 ARG 28 2.791 0.226 9.355 174 HH21 ARG 28 1HH2 ARG 28 4.852 -0.447 6.610 175 HH22 ARG 28 2HH2 ARG 28 4.739 0.143 8.212 176 H ARG 29 H ARG 29 0.079 -1.921 0.832 177 HA ARG 29 HA ARG 29 2.092 -0.289 -0.268 178 HB3 ARG 29 2HB ARG 29 1.412 -2.681 -0.908 179 HG3 ARG 29 2HG ARG 29 -0.385 -1.360 -2.942 180 HD3 ARG 29 2HD ARG 29 -0.073 -4.310 -2.257 181 HE ARG 29 HE ARG 29 -1.446 -2.756 -4.368 182 HH11 ARG 29 1HH1 ARG 29 -0.740 -6.119 -3.229 183 HH12 ARG 29 2HH1 ARG 29 -2.009 -6.749 -4.208 184 HH21 ARG 29 1HH2 ARG 29 -2.821 -3.651 -5.695 185 HH22 ARG 29 2HH2 ARG 29 -3.200 -5.349 -5.688 186 H ASN 30 H ASN 30 -1.464 -0.013 -0.603 187 HA ASN 30 HA ASN 30 -1.312 2.247 -2.414 188 HB3 ASN 30 2HB ASN 30 -3.651 2.672 -1.567 189 HD21 ASN 30 1HD2 ASN 30 -4.017 -0.787 -1.474 190 HD22 ASN 30 2HD2 ASN 30 -4.407 -0.929 -3.140 191 H ARG 31 H ARG 31 -1.915 1.993 1.159 192 HA ARG 31 HA ARG 31 -2.381 4.722 1.546 193 HB3 ARG 31 2HB ARG 31 -0.922 3.139 3.656 194 HG3 ARG 31 2HG ARG 31 -3.569 4.582 3.946 195 HD3 ARG 31 2HD ARG 31 -3.104 4.810 6.210 196 HE ARG 31 HE ARG 31 -1.631 2.333 5.446 197 HH11 ARG 31 1HH1 ARG 31 -3.361 3.990 8.120 198 HH12 ARG 31 2HH1 ARG 31 -3.550 2.481 8.973 199 HH21 ARG 31 1HH2 ARG 31 -1.887 0.455 6.726 200 HH22 ARG 31 2HH2 ARG 31 -2.691 0.609 8.268 201 H LEU 32 H LEU 32 0.710 2.980 1.600 202 HA LEU 32 HA LEU 32 2.487 5.039 2.309 203 HB3 LEU 32 2HB LEU 32 3.923 3.553 0.514 204 HG LEU 32 HG LEU 32 4.569 3.624 2.847 205 HD11 LEU 32 1HD1 LEU 32 3.656 2.231 4.562 206 HD12 LEU 32 2HD1 LEU 32 2.352 1.652 3.493 207 HD13 LEU 32 3HD1 LEU 32 2.420 3.374 4.015 208 HD21 LEU 32 3HD2 LEU 32 4.922 1.031 3.136 209 HD22 LEU 32 1HD2 LEU 32 5.637 1.864 1.775 210 HD23 LEU 32 2HD2 LEU 32 4.146 0.899 1.567 211 H LEU 33 H LEU 33 1.453 4.142 -1.114 212 HA LEU 33 HA LEU 33 2.768 6.364 -2.324 213 HB3 LEU 33 2HB LEU 33 0.577 5.712 -3.885 214 HG LEU 33 HG LEU 33 3.368 5.367 -4.067 215 HD11 LEU 33 1HD1 LEU 33 1.922 2.779 -4.747 216 HD12 LEU 33 2HD1 LEU 33 2.888 3.025 -3.262 217 HD13 LEU 33 3HD1 LEU 33 3.669 3.138 -4.847 218 HD21 LEU 33 3HD2 LEU 33 1.280 4.637 -6.148 219 HD22 LEU 33 1HD2 LEU 33 2.990 5.024 -6.437 220 HD23 LEU 33 2HD2 LEU 33 1.896 6.272 -5.826 221 H GLY 34 H GLY 34 -0.285 6.039 -0.597 222 HA2 GLY 34 1HA GLY 34 -1.674 8.355 -1.537 223 HA3 GLY 34 2HA GLY 34 -1.841 7.554 0.042 224 H GLU 35 H GLU 35 0.380 7.821 1.354 225 HA GLU 35 HA GLU 35 0.472 10.644 1.975 226 HB3 GLU 35 2HB GLU 35 2.037 9.829 3.796 227 HG3 GLU 35 2HG GLU 35 -0.513 8.183 3.564 228 H TRP 36 H TRP 36 2.242 8.884 -0.347 229 HA TRP 36 HA TRP 36 4.507 10.812 -0.452 230 HB3 TRP 36 2HB TRP 36 3.528 8.552 -2.211 231 HD1 TRP 36 HD TRP 36 6.478 11.113 -2.513 232 HE1 TRP 36 1HE TRP 36 6.842 11.638 -4.967 233 HE3 TRP 36 3HE TRP 36 2.734 8.243 -4.521 234 HZ2 TRP 36 2HZ TRP 36 5.662 10.937 -7.498 235 HZ3 TRP 36 3HZ TRP 36 2.306 8.324 -6.981 236 HH2 TRP 36 HH TRP 36 3.764 9.732 -8.449 237 H ALA 37 H ALA 37 1.726 9.963 -2.620 238 HA ALA 37 HA ALA 37 1.943 12.198 -4.241 239 HB1 ALA 37 1HB ALA 37 -0.482 11.625 -4.795 240 HB2 ALA 37 2HB ALA 37 0.637 10.243 -4.844 241 HB3 ALA 37 3HB ALA 37 -0.437 10.477 -3.449 242 H ALA 38 H ALA 38 0.115 11.966 -1.136 243 HA ALA 38 HA ALA 38 -1.235 14.395 -1.214 244 HB1 ALA 38 1HB ALA 38 0.275 13.174 1.135 245 HB2 ALA 38 2HB ALA 38 -1.045 14.363 1.206 246 HB3 ALA 38 3HB ALA 38 -1.363 12.727 0.592 247 H GLY 39 H GLY 39 2.236 13.890 -0.588 248 HA2 GLY 39 1HA GLY 39 2.958 16.574 0.120 249 HA3 GLY 39 2HA GLY 39 4.017 15.249 -0.332 250 H LEU 40 H LEU 40 2.089 15.200 -2.880 251 HA LEU 40 HA LEU 40 3.617 17.160 -4.505 252 HB3 LEU 40 2HB LEU 40 2.784 15.650 -6.365 253 HG LEU 40 HG LEU 40 4.359 14.147 -4.234 254 HD11 LEU 40 1HD1 LEU 40 3.926 13.776 -7.234 255 HD12 LEU 40 2HD1 LEU 40 3.472 12.649 -5.933 256 HD13 LEU 40 3HD1 LEU 40 5.181 12.944 -6.312 257 HD21 LEU 40 3HD2 LEU 40 6.341 14.801 -5.566 258 HD22 LEU 40 1HD2 LEU 40 5.538 16.214 -4.860 259 HD23 LEU 40 2HD2 LEU 40 5.307 15.841 -6.592 260 H LEU 41 H LEU 41 0.287 15.930 -3.862 261 HA LEU 41 HA LEU 41 -1.023 17.452 -5.832 262 HB3 LEU 41 2HB LEU 41 -2.970 17.407 -4.060 263 HG LEU 41 HG LEU 41 -3.659 15.308 -4.532 264 HD11 LEU 41 1HD1 LEU 41 -3.394 16.777 -6.579 265 HD12 LEU 41 2HD1 LEU 41 -3.553 15.050 -6.881 266 HD13 LEU 41 3HD1 LEU 41 -1.952 15.815 -6.985 267 HD21 LEU 41 3HD2 LEU 41 -2.365 13.435 -5.375 268 HD22 LEU 41 1HD2 LEU 41 -1.939 13.941 -3.732 269 HD23 LEU 41 2HD2 LEU 41 -0.906 14.418 -5.108 270 H GLY 42 H GLY 42 -0.096 18.335 -2.655 271 HA2 GLY 42 1HA GLY 42 0.577 20.722 -2.199 272 HA3 GLY 42 2HA GLY 42 -0.846 21.241 -3.121 273 H LYS 43 H LYS 43 -1.205 18.467 -1.071 274 HA LYS 43 HA LYS 43 -2.964 19.894 0.653 275 HB3 LYS 43 2HB LYS 43 -3.182 17.778 1.864 276 HG3 LYS 43 2HG LYS 43 -3.490 16.061 0.111 277 HD3 LYS 43 2HD LYS 43 -4.815 18.737 -0.385 278 HE3 LYS 43 2HE LYS 43 -4.937 16.129 -1.942 279 HZ1 LYS 43 3HZ LYS 43 -7.183 16.504 -1.427 280 HZ2 LYS 43 1HZ LYS 43 -6.952 17.090 -2.959 281 HZ3 LYS 43 2HZ LYS 43 -7.093 18.120 -1.688 282 H THR 44 H THR 44 -2.628 19.818 3.128 283 HA THR 44 HA THR 44 -0.019 19.135 4.088 284 HB THR 44 HB THR 44 0.077 21.219 5.545 285 HG1 THR 44 1HG THR 44 -1.479 22.395 3.469 286 HG21 THR 44 3HG2 THR 44 1.601 20.876 3.575 287 HG22 THR 44 1HG2 THR 44 1.343 22.566 4.058 288 HG23 THR 44 2HG2 THR 44 0.516 21.914 2.626 289 H GLY 45 H GLY 45 -0.280 18.686 6.524 290 HA2 GLY 45 1HA GLY 45 -1.413 18.462 8.486 291 HA3 GLY 45 2HA GLY 45 -2.689 19.529 7.859 292 H ASP 46 H ASP 46 -4.488 18.286 8.373 293 HA ASP 46 HA ASP 46 -4.355 15.422 8.077 294 HB3 ASP 46 2HB ASP 46 -6.733 15.438 8.774 295 H ASP 47 H ASP 47 -5.327 17.957 6.006 296 HA ASP 47 HA ASP 47 -6.969 16.620 4.082 297 HB3 ASP 47 2HB ASP 47 -5.278 18.302 2.604 298 H ALA 48 H ALA 48 -3.465 16.638 4.661 299 HA ALA 48 HA ALA 48 -2.753 15.333 2.163 300 HB1 ALA 48 1HB ALA 48 -1.104 16.662 3.517 301 HB2 ALA 48 2HB ALA 48 -1.248 15.475 4.833 302 HB3 ALA 48 3HB ALA 48 -0.561 14.991 3.290 303 H ARG 49 H ARG 49 -3.610 14.345 5.470 304 HA ARG 49 HA ARG 49 -3.155 11.551 4.902 305 HB3 ARG 49 2HB ARG 49 -4.287 11.171 7.018 306 HG3 ARG 49 2HG ARG 49 -2.642 13.681 7.490 307 HD3 ARG 49 2HD ARG 49 -3.587 11.809 9.091 308 HE ARG 49 HE ARG 49 -1.270 10.506 7.855 309 HH11 ARG 49 1HH1 ARG 49 -3.262 10.637 10.805 310 HH12 ARG 49 2HH1 ARG 49 -2.946 8.995 11.247 311 HH21 ARG 49 1HH2 ARG 49 -0.726 8.467 8.468 312 HH22 ARG 49 2HH2 ARG 49 -1.270 7.767 9.977 313 H ALA 50 H ALA 50 -6.065 13.669 4.804 314 HA ALA 50 HA ALA 50 -7.981 11.724 4.290 315 HB1 ALA 50 1HB ALA 50 -7.847 14.481 2.961 316 HB2 ALA 50 2HB ALA 50 -9.280 13.474 3.188 317 HB3 ALA 50 3HB ALA 50 -8.467 14.170 4.588 318 H TYR 51 H TYR 51 -5.857 13.368 1.898 319 HA TYR 51 HA TYR 51 -6.808 12.146 -0.425 320 HB3 TYR 51 2HB TYR 51 -3.962 12.940 0.331 321 HD1 TYR 51 1HD TYR 51 -5.864 13.722 -2.750 322 HD2 TYR 51 2HD TYR 51 -2.879 11.189 -0.971 323 HE1 TYR 51 1HE TYR 51 -5.446 12.728 -4.939 324 HE2 TYR 51 2HE TYR 51 -2.551 10.049 -3.145 325 HH TYR 51 HH TYR 51 -4.467 10.967 -6.058 326 H ALA 52 H ALA 52 -4.483 10.862 1.967 327 HA ALA 52 HA ALA 52 -3.640 8.599 0.454 328 HB1 ALA 52 1HB ALA 52 -3.898 8.790 3.481 329 HB2 ALA 52 2HB ALA 52 -2.770 7.759 2.566 330 HB3 ALA 52 3HB ALA 52 -2.539 9.526 2.560 331 H LEU 53 H LEU 53 -6.408 9.144 2.547 332 HA LEU 53 HA LEU 53 -6.946 6.387 3.081 333 HB3 LEU 53 2HB LEU 53 -8.893 7.074 4.222 334 HG LEU 53 HG LEU 53 -7.067 9.474 4.285 335 HD11 LEU 53 1HD1 LEU 53 -8.048 10.022 6.427 336 HD12 LEU 53 2HD1 LEU 53 -9.091 8.568 6.337 337 HD13 LEU 53 3HD1 LEU 53 -9.315 9.908 5.197 338 HD21 LEU 53 3HD2 LEU 53 -6.025 8.624 6.278 339 HD22 LEU 53 1HD2 LEU 53 -5.774 7.507 4.930 340 HD23 LEU 53 2HD2 LEU 53 -6.985 7.121 6.173 341 H THR 54 H THR 54 -8.070 8.519 0.478 342 HA THR 54 HA THR 54 -10.245 6.717 -0.257 343 HB THR 54 HB THR 54 -10.596 9.079 -0.450 344 HG1 THR 54 1HG THR 54 -11.659 8.033 -2.075 345 HG21 THR 54 3HG2 THR 54 -8.161 9.167 -2.274 346 HG22 THR 54 1HG2 THR 54 -8.412 10.013 -0.726 347 HG23 THR 54 2HG2 THR 54 -9.357 10.468 -2.132 348 H VAL 55 H VAL 55 -6.859 6.716 -0.876 349 HA VAL 55 HA VAL 55 -7.270 5.249 -3.438 350 HB VAL 55 HB VAL 55 -5.932 7.261 -3.556 351 HG11 VAL 55 1HG1 VAL 55 -3.971 5.892 -1.675 352 HG12 VAL 55 2HG1 VAL 55 -3.688 7.396 -2.587 353 HG13 VAL 55 3HG1 VAL 55 -4.932 7.362 -1.358 354 HG21 VAL 55 3HG2 VAL 55 -4.335 4.734 -4.073 355 HG22 VAL 55 1HG2 VAL 55 -5.502 5.487 -5.157 356 HG23 VAL 55 2HG2 VAL 55 -4.005 6.339 -4.766 357 H VAL 56 H VAL 56 -6.326 4.727 -0.107 358 HA VAL 56 HA VAL 56 -5.580 1.936 -0.685 359 HB VAL 56 HB VAL 56 -4.529 3.038 1.259 360 HG11 VAL 56 1HG1 VAL 56 -5.801 3.586 3.292 361 HG12 VAL 56 2HG1 VAL 56 -6.270 4.621 1.937 362 HG13 VAL 56 3HG1 VAL 56 -7.327 3.300 2.420 363 HG21 VAL 56 3HG2 VAL 56 -5.055 0.614 1.185 364 HG22 VAL 56 1HG2 VAL 56 -4.888 1.273 2.830 365 HG23 VAL 56 2HG2 VAL 56 -6.492 0.912 2.168 366 H THR 57 H THR 57 -7.126 0.351 -0.634 367 HA THR 57 HA THR 57 -9.013 -0.598 -1.023 368 HB THR 57 HB THR 57 -10.858 -0.324 0.328 369 HG1 THR 57 1HG THR 57 -11.180 1.728 1.538 370 HG21 THR 57 3HG2 THR 57 -8.655 -0.688 1.589 371 HG22 THR 57 1HG2 THR 57 -10.022 -0.053 2.555 372 HG23 THR 57 2HG2 THR 57 -8.738 1.051 2.024 373 H SER 58 H SER 58 -9.677 2.929 -1.368 374 HA SER 58 HA SER 58 -10.956 4.080 -2.798 375 HB3 SER 58 2HB SER 58 -10.449 1.879 -4.830 376 HG SER 58 HG SER 58 -11.410 3.075 -6.164 377 H ASP 59 H ASP 59 -11.751 2.102 -0.892 378 HA ASP 59 HA ASP 59 -13.289 0.913 -0.006 379 HB3 ASP 59 2HB ASP 59 -15.471 2.588 -1.165 380 H PHE 60 H PHE 60 -12.838 0.316 -3.003 381 HA PHE 60 HA PHE 60 -14.937 -1.745 -3.357 382 HB3 PHE 60 2HB PHE 60 -13.001 -1.348 -5.545 383 HD1 PHE 60 2HD PHE 60 -14.411 -3.571 -5.792 384 HD2 PHE 60 1HD PHE 60 -16.043 0.399 -6.097 385 HE1 PHE 60 2HE PHE 60 -16.403 -4.486 -6.930 386 HE2 PHE 60 1HE PHE 60 -18.076 -0.526 -7.203 387 HZ PHE 60 HZ PHE 60 -18.279 -2.990 -7.557 388 H ASP 61 H ASP 61 -11.432 -1.125 -3.637 389 HA ASP 61 HA ASP 61 -9.593 -2.212 -3.241 390 HB3 ASP 61 2HB ASP 61 -10.875 -4.518 -1.809 391 H GLU 62 H GLU 62 -8.638 -4.685 -3.501 392 HA GLU 62 HA GLU 62 -7.802 -5.916 -5.202 393 HB3 GLU 62 2HB GLU 62 -10.674 -6.570 -5.869 394 HG3 GLU 62 2HG GLU 62 -8.750 -7.678 -7.213 395 HA PRO 63 HA PRO 63 -9.234 -2.651 -8.336 396 HB3 PRO 63 2HB PRO 63 -8.391 -0.885 -7.059 397 HG3 PRO 63 2HG PRO 63 -6.316 -1.106 -5.863 398 HD3 PRO 63 2HD PRO 63 -7.803 -2.724 -5.042 399 H GLY 64 H GLY 64 -6.906 -5.028 -8.341 400 HA2 GLY 64 1HA GLY 64 -6.087 -6.234 -10.090 401 HA3 GLY 64 2HA GLY 64 -6.842 -5.089 -11.192 402 H ASP 65 H ASP 65 -4.957 -3.131 -9.441 403 HA ASP 65 HA ASP 65 -2.931 -2.090 -9.568 404 HB3 ASP 65 2HB ASP 65 -1.884 -4.657 -10.758 405 H GLU 66 H GLU 66 -4.257 -3.399 -12.464 406 HA GLU 66 HA GLU 66 -2.533 -2.421 -14.393 407 HB3 GLU 66 2HB GLU 66 -4.157 -4.165 -14.788 408 HG3 GLU 66 2HG GLU 66 -6.231 -2.003 -14.270 409 H ASP 67 H ASP 67 -4.841 -0.536 -12.633 410 HA ASP 67 HA ASP 67 -4.914 1.581 -14.768 411 HB3 ASP 67 2HB ASP 67 -7.190 1.749 -13.037 412 H VAL 68 H VAL 68 -3.982 1.054 -11.547 413 HA VAL 68 HA VAL 68 -4.746 3.555 -10.408 414 HB VAL 68 HB VAL 68 -4.137 1.518 -9.212 415 HG11 VAL 68 1HG1 VAL 68 -1.297 2.122 -10.027 416 HG12 VAL 68 2HG1 VAL 68 -1.794 0.919 -8.834 417 HG13 VAL 68 3HG1 VAL 68 -2.296 0.734 -10.513 418 HG21 VAL 68 3HG2 VAL 68 -2.431 3.902 -8.396 419 HG22 VAL 68 1HG2 VAL 68 -4.142 3.655 -7.983 420 HG23 VAL 68 2HG2 VAL 68 -2.904 2.562 -7.341 421 H PHE 69 H PHE 69 -2.046 2.576 -12.434 422 HA PHE 69 HA PHE 69 -0.437 4.874 -12.440 423 HB3 PHE 69 2HB PHE 69 -1.439 3.311 -14.881 424 HD1 PHE 69 1HD PHE 69 1.620 5.143 -13.612 425 HD2 PHE 69 2HD PHE 69 -1.118 4.521 -16.904 426 HE1 PHE 69 1HE PHE 69 2.730 6.918 -14.874 427 HE2 PHE 69 2HE PHE 69 0.140 6.218 -18.229 428 HZ PHE 69 HZ PHE 69 1.999 7.475 -17.201 429 H ARG 70 H ARG 70 -3.367 4.350 -14.417 430 HA ARG 70 HA ARG 70 -3.441 6.959 -15.543 431 HB3 ARG 70 2HB ARG 70 -5.788 5.018 -15.224 432 HG3 ARG 70 2HG ARG 70 -5.785 5.621 -17.790 433 HD3 ARG 70 2HD ARG 70 -6.931 7.278 -15.596 434 HE ARG 70 HE ARG 70 -6.364 8.199 -18.263 435 HH11 ARG 70 1HH1 ARG 70 -8.911 8.300 -15.834 436 HH12 ARG 70 2HH1 ARG 70 -9.531 9.851 -16.297 437 HH21 ARG 70 1HH2 ARG 70 -6.827 10.436 -18.584 438 HH22 ARG 70 2HH2 ARG 70 -7.927 11.230 -17.572 439 H LYS 71 H LYS 71 -4.636 5.648 -12.544 440 HA LYS 71 HA LYS 71 -6.450 7.831 -11.916 441 HB3 LYS 71 2HB LYS 71 -5.193 5.715 -10.126 442 HG3 LYS 71 2HG LYS 71 -7.415 7.725 -9.758 443 HD3 LYS 71 2HD LYS 71 -7.208 4.953 -8.496 444 HE3 LYS 71 2HE LYS 71 -9.386 5.704 -7.406 445 HZ1 LYS 71 3HZ LYS 71 -8.314 6.961 -5.673 446 HZ2 LYS 71 1HZ LYS 71 -6.993 7.242 -6.585 447 HZ3 LYS 71 2HZ LYS 71 -7.385 5.669 -6.131 448 H LEU 72 H LEU 72 -3.163 6.891 -10.787 449 HA LEU 72 HA LEU 72 -2.689 9.233 -9.225 450 HB3 LEU 72 2HB LEU 72 -0.217 8.505 -9.669 451 HG LEU 72 HG LEU 72 -2.306 6.733 -8.346 452 HD11 LEU 72 1HD1 LEU 72 -0.524 5.239 -9.186 453 HD12 LEU 72 2HD1 LEU 72 -0.539 5.338 -7.424 454 HD13 LEU 72 3HD1 LEU 72 0.700 6.218 -8.359 455 HD21 LEU 72 3HD2 LEU 72 -1.051 7.439 -6.326 456 HD22 LEU 72 1HD2 LEU 72 -1.715 8.836 -7.212 457 HD23 LEU 72 2HD2 LEU 72 0.011 8.429 -7.334 458 H ALA 73 H ALA 73 -2.046 8.500 -12.682 459 HA ALA 73 HA ALA 73 -0.574 10.882 -13.207 460 HB1 ALA 73 1HB ALA 73 -0.554 8.886 -14.690 461 HB2 ALA 73 2HB ALA 73 -2.274 9.151 -15.074 462 HB3 ALA 73 3HB ALA 73 -1.058 10.337 -15.579 463 H ALA 74 H ALA 74 -4.032 10.409 -12.788 464 HA ALA 74 HA ALA 74 -4.671 13.019 -14.025 465 HB1 ALA 74 1HB ALA 74 -6.331 11.255 -14.112 466 HB2 ALA 74 2HB ALA 74 -6.302 11.085 -12.329 467 HB3 ALA 74 3HB ALA 74 -6.911 12.574 -13.066 468 H ASP 75 H ASP 75 -3.553 11.844 -10.932 469 HA ASP 75 HA ASP 75 -4.577 14.203 -9.447 470 HB3 ASP 75 2HB ASP 75 -2.992 12.885 -7.666 471 H LEU 76 H LEU 76 -1.393 12.578 -9.941 472 HA LEU 76 HA LEU 76 0.047 15.005 -9.264 473 HB3 LEU 76 2HB LEU 76 2.013 13.639 -9.673 474 HG LEU 76 HG LEU 76 2.025 12.357 -7.886 475 HD11 LEU 76 1HD1 LEU 76 -0.687 13.589 -7.226 476 HD12 LEU 76 2HD1 LEU 76 0.838 14.484 -7.199 477 HD13 LEU 76 3HD1 LEU 76 0.608 13.102 -6.130 478 HD21 LEU 76 3HD2 LEU 76 0.742 10.580 -8.934 479 HD22 LEU 76 1HD2 LEU 76 -0.768 11.328 -8.350 480 HD23 LEU 76 2HD2 LEU 76 0.446 10.737 -7.190 481 H GLU 77 H GLU 77 -1.690 15.092 -11.609 482 HA GLU 77 HA GLU 77 -0.210 15.028 -14.053 483 HB3 GLU 77 2HB GLU 77 -2.718 16.591 -13.291 484 HG3 GLU 77 2HG GLU 77 -3.235 15.629 -15.729 485 H GLY 78 H GLY 78 1.666 16.143 -13.966 486 HA2 GLY 78 1HA GLY 78 2.869 18.106 -14.380 487 HA3 GLY 78 2HA GLY 78 1.661 19.064 -13.521 488 H LYS 79 H LYS 79 2.608 16.197 -11.853 489 HA LYS 79 HA LYS 79 4.521 17.712 -10.151 490 HB3 LYS 79 2HB LYS 79 3.581 16.791 -8.166 491 HG3 LYS 79 2HG LYS 79 2.682 18.976 -9.099 492 HD3 LYS 79 2HD LYS 79 0.476 17.085 -9.862 493 HE3 LYS 79 2HE LYS 79 -0.169 19.073 -8.186 494 HZ1 LYS 79 3HZ LYS 79 -0.263 20.356 -10.874 495 HZ2 LYS 79 1HZ LYS 79 0.666 20.843 -9.620 496 HZ3 LYS 79 2HZ LYS 79 -0.982 20.912 -9.528 497 H ALA 80 H ALA 80 3.301 14.495 -11.228 498 HA ALA 80 HA ALA 80 6.053 13.500 -10.958 499 HB1 ALA 80 1HB ALA 80 4.938 12.655 -8.953 500 HB2 ALA 80 2HB ALA 80 3.593 12.016 -9.939 501 HB3 ALA 80 3HB ALA 80 5.204 11.332 -10.101 502 H ASP 81 H ASP 81 6.570 12.961 -12.993 503 HA ASP 81 HA ASP 81 4.488 12.447 -14.998 504 HB3 ASP 81 2HB ASP 81 6.248 12.259 -16.596 505 H GLU 82 H GLU 82 5.346 10.362 -16.487 506 HA GLU 82 HA GLU 82 4.386 8.119 -15.073 507 HB3 GLU 82 2HB GLU 82 5.943 8.268 -17.698 508 HG3 GLU 82 2HG GLU 82 4.333 6.214 -18.111 509 H GLU 83 H GLU 83 7.657 9.106 -15.906 510 HA GLU 83 HA GLU 83 9.133 6.917 -14.979 511 HB3 GLU 83 2HB GLU 83 9.962 9.844 -14.989 512 HG3 GLU 83 2HG GLU 83 11.429 7.279 -15.763 513 H THR 84 H THR 84 7.348 9.124 -13.109 514 HA THR 84 HA THR 84 8.876 8.456 -10.636 515 HB THR 84 HB THR 84 6.990 10.786 -11.165 516 HG1 THR 84 1HG THR 84 8.772 12.045 -11.344 517 HG21 THR 84 3HG2 THR 84 8.952 10.308 -8.873 518 HG22 THR 84 1HG2 THR 84 7.205 10.083 -8.768 519 HG23 THR 84 2HG2 THR 84 7.859 11.703 -9.075 520 H ILE 85 H ILE 85 5.500 8.891 -11.894 521 HA ILE 85 HA ILE 85 4.158 7.719 -9.736 522 HB ILE 85 HB ILE 85 3.589 7.635 -12.709 523 HG13 ILE 85 2HG1 ILE 85 3.739 9.943 -11.616 524 HG21 ILE 85 1HG2 ILE 85 2.238 5.905 -11.553 525 HG22 ILE 85 2HG2 ILE 85 1.678 7.094 -10.376 526 HG23 ILE 85 3HG2 ILE 85 1.184 7.180 -12.081 527 HD11 ILE 85 3HD1 ILE 85 0.945 9.229 -12.575 528 HD12 ILE 85 1HD1 ILE 85 1.613 10.842 -12.423 529 HD13 ILE 85 2HD1 ILE 85 2.314 9.710 -13.600 530 H ARG 86 H ARG 86 5.235 6.005 -12.759 531 HA ARG 86 HA ARG 86 4.384 3.420 -11.729 532 HB3 ARG 86 2HB ARG 86 6.199 2.816 -13.668 533 HG3 ARG 86 2HG ARG 86 4.186 3.506 -15.337 534 HD3 ARG 86 2HD ARG 86 3.004 1.402 -14.673 535 HE ARG 86 HE ARG 86 5.531 1.569 -15.788 536 HH11 ARG 86 1HH1 ARG 86 3.621 -0.950 -14.152 537 HH12 ARG 86 2HH1 ARG 86 4.715 -2.235 -14.530 538 HH21 ARG 86 1HH2 ARG 86 6.505 -0.076 -16.785 539 HH22 ARG 86 2HH2 ARG 86 6.238 -1.755 -16.389 540 H ALA 87 H ALA 87 7.236 5.392 -11.482 541 HA ALA 87 HA ALA 87 9.054 3.277 -10.681 542 HB1 ALA 87 1HB ALA 87 10.045 5.315 -11.441 543 HB2 ALA 87 2HB ALA 87 9.191 6.278 -10.216 544 HB3 ALA 87 3HB ALA 87 10.443 5.150 -9.715 545 H LYS 88 H LYS 88 7.364 5.789 -8.734 546 HA LYS 88 HA LYS 88 7.942 4.626 -6.202 547 HB3 LYS 88 2HB LYS 88 5.898 5.979 -5.435 548 HG3 LYS 88 2HG LYS 88 6.829 8.216 -6.104 549 HD3 LYS 88 2HD LYS 88 8.911 6.205 -5.142 550 HE3 LYS 88 2HE LYS 88 8.779 9.233 -4.855 551 HZ1 LYS 88 3HZ LYS 88 11.074 8.896 -4.195 552 HZ2 LYS 88 1HZ LYS 88 10.883 7.261 -4.186 553 HZ3 LYS 88 2HZ LYS 88 10.033 8.208 -3.113 554 H MET 89 H MET 89 5.284 3.919 -8.501 555 HA MET 89 HA MET 89 3.881 2.235 -6.689 556 HB3 MET 89 2HB MET 89 4.010 1.933 -9.705 557 HG3 MET 89 2HG MET 89 2.167 1.020 -7.444 558 HE1 MET 89 3HE MET 89 2.037 -1.507 -10.144 559 HE2 MET 89 1HE MET 89 1.066 -0.806 -11.447 560 HE3 MET 89 2HE MET 89 2.715 -0.202 -11.151 561 H VAL 90 H VAL 90 6.375 1.334 -9.136 562 HA VAL 90 HA VAL 90 6.562 -1.396 -8.509 563 HB VAL 90 HB VAL 90 8.490 0.657 -9.659 564 HG11 VAL 90 1HG1 VAL 90 9.828 -1.290 -10.494 565 HG12 VAL 90 2HG1 VAL 90 9.953 -1.009 -8.757 566 HG13 VAL 90 3HG1 VAL 90 8.932 -2.328 -9.352 567 HG21 VAL 90 3HG2 VAL 90 7.059 -1.674 -11.007 568 HG22 VAL 90 1HG2 VAL 90 6.419 -0.023 -10.974 569 HG23 VAL 90 2HG2 VAL 90 7.954 -0.338 -11.772 570 H GLU 91 H GLU 91 8.526 1.354 -7.247 571 HA GLU 91 HA GLU 91 10.044 -0.193 -5.453 572 HB3 GLU 91 2HB GLU 91 10.473 2.114 -4.383 573 HG3 GLU 91 2HG GLU 91 10.987 1.932 -7.350 574 H LEU 92 H LEU 92 6.766 0.471 -5.114 575 HA LEU 92 HA LEU 92 6.965 0.105 -2.157 576 HB3 LEU 92 2HB LEU 92 4.590 1.202 -2.322 577 HG LEU 92 HG LEU 92 7.136 2.831 -3.051 578 HD11 LEU 92 1HD1 LEU 92 5.229 4.226 -3.444 579 HD12 LEU 92 2HD1 LEU 92 6.040 4.778 -1.995 580 HD13 LEU 92 3HD1 LEU 92 4.537 3.849 -1.836 581 HD21 LEU 92 3HD2 LEU 92 5.956 2.245 -0.329 582 HD22 LEU 92 1HD2 LEU 92 7.277 3.382 -0.635 583 HD23 LEU 92 2HD2 LEU 92 7.546 1.692 -0.962 584 H ARG 93 H ARG 93 5.969 -1.343 -5.051 585 HA ARG 93 HA ARG 93 3.855 -3.020 -3.927 586 HB3 ARG 93 2HB ARG 93 4.822 -4.290 -6.203 587 HG3 ARG 93 2HG ARG 93 2.573 -3.894 -6.274 588 HD3 ARG 93 2HD ARG 93 3.043 -0.926 -5.704 589 HE ARG 93 HE ARG 93 1.088 -2.092 -7.499 590 HH11 ARG 93 1HH1 ARG 93 1.065 0.095 -4.728 591 HH12 ARG 93 2HH1 ARG 93 -0.447 0.841 -5.197 592 HH21 ARG 93 1HH2 ARG 93 -0.783 -1.328 -8.002 593 HH22 ARG 93 2HH2 ARG 93 -1.722 -0.228 -7.003 594 H ALA 94 H ALA 94 7.280 -3.670 -4.927 595 HA ALA 94 HA ALA 94 7.297 -6.293 -3.777 596 HB1 ALA 94 1HB ALA 94 9.734 -6.151 -4.085 597 HB2 ALA 94 2HB ALA 94 8.878 -5.559 -5.525 598 HB3 ALA 94 3HB ALA 94 9.613 -4.408 -4.389 599 H THR 95 H THR 95 8.113 -3.125 -2.475 600 HA THR 95 HA THR 95 9.419 -3.992 -0.116 601 HB THR 95 HB THR 95 8.122 -1.351 -0.882 602 HG1 THR 95 1HG THR 95 10.688 -1.197 -1.197 603 HG21 THR 95 3HG2 THR 95 8.659 -1.331 1.505 604 HG22 THR 95 1HG2 THR 95 9.759 -0.282 0.631 605 HG23 THR 95 2HG2 THR 95 10.313 -1.888 1.166 606 H ALA 96 H ALA 96 6.027 -2.807 -0.712 607 HA ALA 96 HA ALA 96 5.236 -2.610 1.907 608 HB1 ALA 96 1HB ALA 96 3.851 -1.766 0.184 609 HB2 ALA 96 2HB ALA 96 3.603 -3.386 -0.505 610 HB3 ALA 96 3HB ALA 96 2.911 -2.962 1.080 611 H ARG 97 H ARG 97 5.829 -5.475 0.171 612 HA ARG 97 HA ARG 97 4.346 -7.463 1.684 613 HB3 ARG 97 2HB ARG 97 6.415 -8.740 0.452 614 HG3 ARG 97 2HG ARG 97 3.986 -7.650 -1.023 615 HD3 ARG 97 2HD ARG 97 5.973 -9.880 -1.563 616 HE ARG 97 HE ARG 97 4.141 -11.043 -2.153 617 HH11 ARG 97 1HH1 ARG 97 3.894 -7.799 -3.646 618 HH12 ARG 97 2HH1 ARG 97 2.576 -8.248 -4.686 619 HH21 ARG 97 1HH2 ARG 97 2.313 -11.552 -3.523 620 HH22 ARG 97 2HH2 ARG 97 1.844 -10.466 -4.775 621 H GLU 98 H GLU 98 7.870 -6.510 1.585 622 HA GLU 98 HA GLU 98 8.555 -8.103 3.871 623 HB3 GLU 98 2HB GLU 98 9.829 -5.796 2.371 624 HG3 GLU 98 2HG GLU 98 10.790 -5.595 4.558 625 H GLN 99 H GLN 99 7.655 -4.690 3.424 626 HA GLN 99 HA GLN 99 7.688 -3.796 6.118 627 HB3 GLN 99 2HB GLN 99 5.796 -2.306 5.071 628 HG3 GLN 99 2HG GLN 99 8.290 -1.825 3.659 629 HE21 GLN 99 1HE2 GLN 99 7.956 0.507 3.034 630 HE22 GLN 99 2HE2 GLN 99 7.008 1.545 4.043 631 H ILE 100 H ILE 100 5.867 -6.363 5.146 632 HA ILE 100 HA ILE 100 3.667 -5.795 7.043 633 HB ILE 100 HB ILE 100 4.365 -8.403 5.654 634 HG13 ILE 100 2HG1 ILE 100 2.146 -7.793 4.383 635 HG21 ILE 100 1HG2 ILE 100 2.069 -9.091 6.355 636 HG22 ILE 100 2HG2 ILE 100 3.154 -8.853 7.720 637 HG23 ILE 100 3HG2 ILE 100 1.945 -7.620 7.339 638 HD11 ILE 100 3HD1 ILE 100 1.702 -5.789 5.969 639 HD12 ILE 100 1HD1 ILE 100 2.932 -4.977 5.046 640 HD13 ILE 100 2HD1 ILE 100 1.486 -5.538 4.218 641 H ILE 101 H ILE 101 6.352 -8.298 7.089 642 HA ILE 101 HA ILE 101 5.988 -8.582 9.900 643 HB ILE 101 HB ILE 101 8.412 -9.325 8.250 644 HG13 ILE 101 2HG1 ILE 101 7.366 -11.578 8.241 645 HG21 ILE 101 1HG2 ILE 101 8.714 -11.048 10.040 646 HG22 ILE 101 2HG2 ILE 101 8.861 -9.395 10.639 647 HG23 ILE 101 3HG2 ILE 101 7.377 -10.305 10.958 648 HD11 ILE 101 3HD1 ILE 101 5.050 -11.953 8.358 649 HD12 ILE 101 1HD1 ILE 101 5.629 -11.437 9.947 650 HD13 ILE 101 2HD1 ILE 101 4.733 -10.298 8.894 651 H SER 102 H SER 102 8.047 -6.464 7.914 652 HA SER 102 HA SER 102 9.697 -5.481 10.032 653 HB3 SER 102 2HB SER 102 9.025 -4.750 7.228 654 HG SER 102 HG SER 102 10.609 -3.037 8.834 655 H GLU 103 H GLU 103 6.302 -4.971 9.616 656 HA GLU 103 HA GLU 103 6.315 -2.456 11.202 657 HB3 GLU 103 2HB GLU 103 4.376 -3.948 9.430 658 HG3 GLU 103 2HG GLU 103 2.933 -3.295 11.276 659 H ILE 104 H ILE 104 5.956 -5.865 11.555 660 HA ILE 104 HA ILE 104 4.021 -5.727 13.758 661 HB ILE 104 HB ILE 104 5.768 -8.081 12.909 662 HG13 ILE 104 2HG1 ILE 104 4.212 -7.253 11.117 663 HG21 ILE 104 1HG2 ILE 104 4.908 -8.316 15.214 664 HG22 ILE 104 2HG2 ILE 104 3.280 -7.871 14.668 665 HG23 ILE 104 3HG2 ILE 104 4.003 -9.404 14.165 666 HD11 ILE 104 3HD1 ILE 104 3.232 -9.288 10.478 667 HD12 ILE 104 1HD1 ILE 104 4.720 -9.725 11.341 668 HD13 ILE 104 2HD1 ILE 104 3.137 -9.872 12.139 Start of MODEL 11 1 H1 MET 1 H MET 1 -5.957 -19.970 19.706 2 HA MET 1 HA MET 1 -7.335 -18.196 18.936 3 HB3 MET 1 2HB MET 1 -9.363 -19.372 18.751 4 HG3 MET 1 2HG MET 1 -10.184 -19.027 21.589 5 HE1 MET 1 3HE MET 1 -9.835 -21.672 18.574 6 HE2 MET 1 1HE MET 1 -9.741 -22.565 20.112 7 HE3 MET 1 2HE MET 1 -11.146 -22.772 19.044 8 H THR 2 H THR 2 -5.388 -17.484 20.066 9 HA THR 2 HA THR 2 -5.799 -16.220 22.638 10 HB THR 2 HB THR 2 -5.499 -18.466 23.435 11 HG1 THR 2 1HG THR 2 -3.978 -16.808 24.341 12 HG21 THR 2 3HG2 THR 2 -3.656 -19.954 22.804 13 HG22 THR 2 1HG2 THR 2 -3.063 -18.770 21.623 14 HG23 THR 2 2HG2 THR 2 -4.620 -19.586 21.397 15 H THR 3 H THR 3 -3.747 -14.992 23.169 16 HA THR 3 HA THR 3 -2.164 -14.363 20.751 17 HB THR 3 HB THR 3 -1.918 -12.161 22.315 18 HG1 THR 3 1HG THR 3 -3.604 -11.784 23.512 19 HG21 THR 3 3HG2 THR 3 -3.801 -11.255 20.937 20 HG22 THR 3 1HG2 THR 3 -4.187 -12.913 20.424 21 HG23 THR 3 2HG2 THR 3 -2.616 -12.199 20.023 22 H PHE 4 H PHE 4 -1.659 -16.505 22.917 23 HA PHE 4 HA PHE 4 1.144 -15.705 23.341 24 HB3 PHE 4 2HB PHE 4 -0.502 -17.339 25.298 25 HD1 PHE 4 1HD PHE 4 1.403 -18.960 25.553 26 HD2 PHE 4 2HD PHE 4 1.957 -14.705 26.076 27 HE1 PHE 4 1HE PHE 4 3.589 -19.372 26.654 28 HE2 PHE 4 2HE PHE 4 4.128 -15.126 27.180 29 HZ PHE 4 HZ PHE 4 4.959 -17.459 27.462 30 H ASP 5 H ASP 5 2.017 -16.770 21.651 31 HA ASP 5 HA ASP 5 1.815 -19.667 21.531 32 HB3 ASP 5 2HB ASP 5 1.472 -18.142 18.935 33 H ASP 6 H ASP 6 3.463 -19.903 19.195 34 HA ASP 6 HA ASP 6 5.935 -18.403 19.946 35 HB3 ASP 6 2HB ASP 6 5.748 -21.202 18.786 36 H ARG 7 H ARG 7 7.323 -18.933 17.454 37 HA ARG 7 HA ARG 7 5.777 -16.973 15.907 38 HB3 ARG 7 2HB ARG 7 7.833 -16.363 14.864 39 HG3 ARG 7 2HG ARG 7 8.681 -17.213 17.662 40 HD3 ARG 7 2HD ARG 7 9.804 -15.020 15.900 41 HE ARG 7 HE ARG 7 10.467 -16.138 18.530 42 HH11 ARG 7 1HH1 ARG 7 11.883 -14.474 15.707 43 HH12 ARG 7 2HH1 ARG 7 12.828 -13.381 16.717 44 HH21 ARG 7 1HH2 ARG 7 12.095 -14.968 19.761 45 HH22 ARG 7 2HH2 ARG 7 13.131 -13.867 18.915 46 H GLU 8 H GLU 8 6.075 -20.178 15.833 47 HA GLU 8 HA GLU 8 7.231 -20.592 13.285 48 HB3 GLU 8 2HB GLU 8 5.440 -22.658 14.613 49 HG3 GLU 8 2HG GLU 8 8.065 -23.027 13.105 50 H ARG 9 H ARG 9 3.793 -21.116 14.185 51 HA ARG 9 HA ARG 9 3.061 -20.700 11.311 52 HB3 ARG 9 2HB ARG 9 0.998 -21.852 11.855 53 HG3 ARG 9 2HG ARG 9 1.779 -24.131 12.062 54 HD3 ARG 9 2HD ARG 9 4.478 -23.272 11.184 55 HE ARG 9 HE ARG 9 2.595 -24.270 9.237 56 HH11 ARG 9 1HH1 ARG 9 4.813 -25.433 11.843 57 HH12 ARG 9 2HH1 ARG 9 5.242 -26.846 10.997 58 HH21 ARG 9 1HH2 ARG 9 3.064 -26.225 8.255 59 HH22 ARG 9 2HH2 ARG 9 4.160 -27.386 8.950 60 H ALA 10 H ALA 10 3.506 -18.671 13.690 61 HA ALA 10 HA ALA 10 1.037 -17.282 13.323 62 HB1 ALA 10 1HB ALA 10 2.302 -17.826 16.047 63 HB2 ALA 10 2HB ALA 10 1.038 -16.622 15.742 64 HB3 ALA 10 3HB ALA 10 0.696 -18.332 15.501 65 H HIS 11 H HIS 11 1.835 -15.713 12.423 66 HA HIS 11 HA HIS 11 2.764 -13.932 11.588 67 HB3 HIS 11 2HB HIS 11 4.375 -12.635 13.053 68 HD1 HIS 11 1HD HIS 11 2.097 -10.981 13.398 69 HD2 HIS 11 2HD HIS 11 2.363 -14.526 15.692 70 HE1 HIS 11 1HE HIS 11 0.397 -10.772 15.200 71 H GLU 12 H GLU 12 5.205 -16.271 12.273 72 HA GLU 12 HA GLU 12 6.788 -15.043 10.017 73 HB3 GLU 12 2HB GLU 12 8.631 -16.645 10.581 74 HG3 GLU 12 2HG GLU 12 9.295 -15.459 12.668 75 H ALA 13 H ALA 13 4.606 -17.609 10.343 76 HA ALA 13 HA ALA 13 5.115 -18.016 7.428 77 HB1 ALA 13 1HB ALA 13 5.626 -20.133 8.575 78 HB2 ALA 13 2HB ALA 13 3.999 -20.136 9.303 79 HB3 ALA 13 3HB ALA 13 4.188 -20.280 7.551 80 H LYS 14 H LYS 14 2.851 -17.121 9.930 81 HA LYS 14 HA LYS 14 0.446 -17.916 8.819 82 HB3 LYS 14 2HB LYS 14 0.867 -15.286 10.301 83 HG3 LYS 14 2HG LYS 14 -1.484 -15.984 9.545 84 HD3 LYS 14 2HD LYS 14 -1.147 -17.979 11.830 85 HE3 LYS 14 2HE LYS 14 -3.495 -17.278 10.033 86 HZ1 LYS 14 3HZ LYS 14 -3.574 -19.608 10.667 87 HZ2 LYS 14 1HZ LYS 14 -4.677 -18.760 11.518 88 HZ3 LYS 14 2HZ LYS 14 -3.297 -19.221 12.259 89 H PHE 15 H PHE 15 2.325 -14.970 8.084 90 HA PHE 15 HA PHE 15 0.247 -13.951 6.274 91 HB3 PHE 15 2HB PHE 15 1.849 -12.066 6.021 92 HD1 PHE 15 1HD PHE 15 -0.460 -11.440 7.062 93 HD2 PHE 15 2HD PHE 15 2.970 -12.662 9.366 94 HE1 PHE 15 1HE PHE 15 -1.441 -10.400 9.067 95 HE2 PHE 15 2HE PHE 15 1.971 -11.625 11.379 96 HZ PHE 15 HZ PHE 15 -0.238 -10.496 11.246 97 H ALA 16 H ALA 16 3.540 -15.371 6.177 98 HA ALA 16 HA ALA 16 4.092 -15.049 3.476 99 HB1 ALA 16 1HB ALA 16 5.691 -16.878 3.747 100 HB2 ALA 16 2HB ALA 16 5.715 -15.849 5.191 101 HB3 ALA 16 3HB ALA 16 4.877 -17.419 5.223 102 H HIS 17 H HIS 17 1.896 -17.346 4.914 103 HA HIS 17 HA HIS 17 1.659 -19.169 2.714 104 HB3 HIS 17 2HB HIS 17 -0.715 -19.379 3.998 105 HD1 HIS 17 1HD HIS 17 -0.529 -21.873 4.056 106 HD2 HIS 17 2HD HIS 17 2.879 -19.912 5.577 107 HE1 HIS 17 1HE HIS 17 1.108 -23.693 4.776 108 H ASP 18 H ASP 18 0.673 -15.926 2.919 109 HA ASP 18 HA ASP 18 -0.479 -14.535 1.625 110 HB3 ASP 18 2HB ASP 18 -1.823 -15.119 -0.318 111 H ALA 19 H ALA 19 -3.008 -14.361 0.959 112 HA ALA 19 HA ALA 19 -5.081 -13.997 1.598 113 HB1 ALA 19 1HB ALA 19 -4.903 -16.346 3.516 114 HB2 ALA 19 2HB ALA 19 -6.363 -15.508 2.953 115 HB3 ALA 19 3HB ALA 19 -5.379 -16.429 1.808 116 H GLU 20 H GLU 20 -3.452 -14.922 4.670 117 HA GLU 20 HA GLU 20 -4.630 -12.841 6.253 118 HB3 GLU 20 2HB GLU 20 -1.871 -14.102 6.600 119 HG3 GLU 20 2HG GLU 20 -2.897 -12.343 8.299 120 H LEU 21 H LEU 21 -1.603 -13.004 4.360 121 HA LEU 21 HA LEU 21 -0.601 -10.441 5.202 122 HB3 LEU 21 2HB LEU 21 -0.036 -12.136 2.706 123 HG LEU 21 HG LEU 21 0.852 -9.863 2.325 124 HD11 LEU 21 1HD1 LEU 21 2.602 -8.906 3.760 125 HD12 LEU 21 2HD1 LEU 21 2.474 -10.254 4.889 126 HD13 LEU 21 3HD1 LEU 21 1.121 -9.117 4.696 127 HD21 LEU 21 3HD2 LEU 21 2.956 -11.952 3.047 128 HD22 LEU 21 1HD2 LEU 21 3.218 -10.557 1.993 129 HD23 LEU 21 2HD2 LEU 21 2.082 -11.828 1.508 130 H ASN 22 H ASN 22 -2.414 -11.550 2.423 131 HA ASN 22 HA ASN 22 -2.343 -9.390 0.749 132 HB3 ASN 22 2HB ASN 22 -4.501 -10.172 -0.138 133 HD21 ASN 22 1HD2 ASN 22 -4.722 -12.204 -1.458 134 HD22 ASN 22 2HD2 ASN 22 -3.350 -13.255 -1.564 135 H PHE 23 H PHE 23 -4.414 -9.933 3.562 136 HA PHE 23 HA PHE 23 -6.083 -7.666 3.097 137 HB3 PHE 23 2HB PHE 23 -5.626 -9.263 5.647 138 HD1 PHE 23 1HD PHE 23 -8.166 -7.476 3.467 139 HD2 PHE 23 2HD PHE 23 -7.183 -8.828 7.443 140 HE1 PHE 23 1HE PHE 23 -10.223 -6.436 4.321 141 HE2 PHE 23 2HE PHE 23 -9.255 -7.772 8.300 142 HZ PHE 23 HZ PHE 23 -10.787 -6.581 6.740 143 H LYS 24 H LYS 24 -3.191 -8.064 5.164 144 HA LYS 24 HA LYS 24 -3.452 -5.371 6.283 145 HB3 LYS 24 2HB LYS 24 -1.093 -5.892 7.025 146 HG3 LYS 24 2HG LYS 24 -2.031 -8.467 7.869 147 HD3 LYS 24 2HD LYS 24 -2.543 -7.303 10.014 148 HE3 LYS 24 2HE LYS 24 0.036 -6.323 8.747 149 HZ1 LYS 24 3HZ LYS 24 0.875 -6.374 10.983 150 HZ2 LYS 24 1HZ LYS 24 -0.489 -7.100 11.547 151 HZ3 LYS 24 2HZ LYS 24 -0.552 -5.548 11.056 152 H ALA 25 H ALA 25 -1.433 -6.974 3.804 153 HA ALA 25 HA ALA 25 0.155 -4.714 3.245 154 HB1 ALA 25 1HB ALA 25 0.813 -7.028 2.754 155 HB2 ALA 25 2HB ALA 25 -0.462 -7.144 1.514 156 HB3 ALA 25 3HB ALA 25 0.894 -6.015 1.292 157 H GLU 26 H GLU 26 -2.962 -5.808 1.751 158 HA GLU 26 HA GLU 26 -2.930 -4.136 -0.444 159 HB3 GLU 26 2HB GLU 26 -4.621 -5.962 0.059 160 HG3 GLU 26 2HG GLU 26 -5.283 -4.656 2.395 161 H ALA 27 H ALA 27 -3.869 -3.348 2.832 162 HA ALA 27 HA ALA 27 -4.742 -0.676 2.207 163 HB1 ALA 27 1HB ALA 27 -3.964 -2.102 4.796 164 HB2 ALA 27 2HB ALA 27 -4.753 -0.487 4.670 165 HB3 ALA 27 3HB ALA 27 -5.569 -1.961 4.085 166 H ARG 28 H ARG 28 -1.876 -2.072 3.843 167 HA ARG 28 HA ARG 28 -0.598 0.386 4.339 168 HB3 ARG 28 2HB ARG 28 0.913 -2.197 3.782 169 HG3 ARG 28 2HG ARG 28 2.140 -0.016 4.429 170 HD3 ARG 28 2HD ARG 28 0.447 0.574 6.314 171 HE ARG 28 HE ARG 28 2.040 -1.611 7.614 172 HH11 ARG 28 1HH1 ARG 28 -0.412 0.869 8.148 173 HH12 ARG 28 2HH1 ARG 28 -1.202 0.036 9.437 174 HH21 ARG 28 1HH2 ARG 28 1.256 -2.556 9.401 175 HH22 ARG 28 2HH2 ARG 28 -0.112 -1.920 10.323 176 H ARG 29 H ARG 29 -0.161 -1.773 1.471 177 HA ARG 29 HA ARG 29 1.849 -0.236 0.229 178 HB3 ARG 29 2HB ARG 29 1.029 -2.620 -0.289 179 HG3 ARG 29 2HG ARG 29 -0.830 -1.392 -2.306 180 HD3 ARG 29 2HD ARG 29 -0.718 -4.158 -1.075 181 HE ARG 29 HE ARG 29 -2.334 -2.996 -3.231 182 HH11 ARG 29 1HH1 ARG 29 -0.919 -5.979 -2.018 183 HH12 ARG 29 2HH1 ARG 29 -2.291 -6.988 -2.404 184 HH21 ARG 29 1HH2 ARG 29 -4.155 -4.348 -3.885 185 HH22 ARG 29 2HH2 ARG 29 -4.207 -6.012 -3.389 186 H ASN 30 H ASN 30 -1.703 0.067 -0.055 187 HA ASN 30 HA ASN 30 -1.611 2.126 -2.091 188 HB3 ASN 30 2HB ASN 30 -3.549 0.408 -1.124 189 HD21 ASN 30 1HD2 ASN 30 -5.218 0.145 0.168 190 HD22 ASN 30 2HD2 ASN 30 -5.910 1.382 1.170 191 H ARG 31 H ARG 31 -1.934 2.135 1.488 192 HA ARG 31 HA ARG 31 -2.223 4.864 1.825 193 HB3 ARG 31 2HB ARG 31 -0.762 2.878 3.645 194 HG3 ARG 31 2HG ARG 31 -1.818 5.668 4.087 195 HD3 ARG 31 2HD ARG 31 -2.862 3.834 5.678 196 HE ARG 31 HE ARG 31 -0.036 3.708 6.429 197 HH11 ARG 31 1HH1 ARG 31 -3.343 3.153 7.701 198 HH12 ARG 31 2HH1 ARG 31 -2.723 2.595 9.220 199 HH21 ARG 31 1HH2 ARG 31 0.654 3.097 8.433 200 HH22 ARG 31 2HH2 ARG 31 -0.468 2.842 9.755 201 H LEU 32 H LEU 32 0.845 3.035 1.576 202 HA LEU 32 HA LEU 32 2.578 5.230 2.012 203 HB3 LEU 32 2HB LEU 32 4.342 3.918 1.020 204 HG LEU 32 HG LEU 32 2.791 1.592 2.006 205 HD11 LEU 32 1HD1 LEU 32 4.713 0.647 2.597 206 HD12 LEU 32 2HD1 LEU 32 5.452 2.176 3.159 207 HD13 LEU 32 3HD1 LEU 32 5.418 1.788 1.462 208 HD21 LEU 32 3HD2 LEU 32 3.690 3.778 3.905 209 HD22 LEU 32 1HD2 LEU 32 3.270 2.121 4.396 210 HD23 LEU 32 2HD2 LEU 32 2.039 3.165 3.688 211 H LEU 33 H LEU 33 1.021 4.108 -1.062 212 HA LEU 33 HA LEU 33 2.444 5.983 -2.718 213 HB3 LEU 33 2HB LEU 33 -0.252 4.654 -3.217 214 HG LEU 33 HG LEU 33 0.470 6.308 -4.969 215 HD11 LEU 33 1HD1 LEU 33 2.934 6.081 -4.857 216 HD12 LEU 33 2HD1 LEU 33 2.365 5.627 -6.480 217 HD13 LEU 33 3HD1 LEU 33 2.790 4.367 -5.325 218 HD21 LEU 33 3HD2 LEU 33 -0.730 4.040 -5.400 219 HD22 LEU 33 1HD2 LEU 33 0.804 3.531 -6.122 220 HD23 LEU 33 2HD2 LEU 33 -0.062 4.924 -6.780 221 H GLY 34 H GLY 34 -0.607 6.033 -0.921 222 HA2 GLY 34 1HA GLY 34 -1.783 8.393 -1.964 223 HA3 GLY 34 2HA GLY 34 -2.040 7.713 -0.354 224 H GLU 35 H GLU 35 0.176 7.979 1.045 225 HA GLU 35 HA GLU 35 0.191 10.809 1.522 226 HB3 GLU 35 2HB GLU 35 0.219 9.296 3.339 227 HG3 GLU 35 2HG GLU 35 1.710 7.508 2.241 228 H TRP 36 H TRP 36 2.441 8.778 -0.283 229 HA TRP 36 HA TRP 36 4.593 10.627 -0.524 230 HB3 TRP 36 2HB TRP 36 3.395 8.537 -2.369 231 HD1 TRP 36 HD TRP 36 6.891 10.269 -2.133 232 HE1 TRP 36 1HE TRP 36 7.740 10.668 -4.486 233 HE3 TRP 36 3HE TRP 36 2.859 8.502 -4.770 234 HZ2 TRP 36 2HZ TRP 36 6.826 10.254 -7.205 235 HZ3 TRP 36 3HZ TRP 36 2.872 8.578 -7.258 236 HH2 TRP 36 HH TRP 36 4.849 9.493 -8.469 237 H ALA 37 H ALA 37 1.796 10.134 -2.739 238 HA ALA 37 HA ALA 37 2.407 12.405 -4.349 239 HB1 ALA 37 1HB ALA 37 0.065 12.041 -5.226 240 HB2 ALA 37 2HB ALA 37 1.089 10.583 -5.218 241 HB3 ALA 37 3HB ALA 37 -0.130 10.800 -3.963 242 H ALA 38 H ALA 38 0.227 12.127 -1.499 243 HA ALA 38 HA ALA 38 -0.932 14.702 -1.551 244 HB1 ALA 38 1HB ALA 38 0.094 13.151 0.862 245 HB2 ALA 38 2HB ALA 38 -1.063 14.492 0.880 246 HB3 ALA 38 3HB ALA 38 -1.503 12.960 0.103 247 H GLY 39 H GLY 39 2.337 13.707 -0.505 248 HA2 GLY 39 1HA GLY 39 3.228 16.178 0.557 249 HA3 GLY 39 2HA GLY 39 4.227 14.865 -0.060 250 H LEU 40 H LEU 40 3.305 14.824 -2.711 251 HA LEU 40 HA LEU 40 5.106 16.794 -3.791 252 HB3 LEU 40 2HB LEU 40 4.309 15.694 -5.977 253 HG LEU 40 HG LEU 40 5.294 13.966 -3.666 254 HD11 LEU 40 1HD1 LEU 40 4.919 13.334 -6.639 255 HD12 LEU 40 2HD1 LEU 40 4.315 12.411 -5.248 256 HD13 LEU 40 3HD1 LEU 40 6.041 12.442 -5.614 257 HD21 LEU 40 3HD2 LEU 40 7.465 14.127 -4.799 258 HD22 LEU 40 1HD2 LEU 40 6.871 15.765 -4.508 259 HD23 LEU 40 2HD2 LEU 40 6.748 15.047 -6.137 260 H LEU 41 H LEU 41 1.612 16.287 -3.813 261 HA LEU 41 HA LEU 41 0.797 18.511 -5.396 262 HB3 LEU 41 2HB LEU 41 -1.392 18.073 -4.183 263 HG LEU 41 HG LEU 41 0.142 15.763 -5.435 264 HD11 LEU 41 1HD1 LEU 41 -1.382 14.874 -3.717 265 HD12 LEU 41 2HD1 LEU 41 -1.830 14.440 -5.368 266 HD13 LEU 41 3HD1 LEU 41 -2.720 15.736 -4.507 267 HD21 LEU 41 3HD2 LEU 41 -1.703 15.888 -7.118 268 HD22 LEU 41 1HD2 LEU 41 -0.673 17.350 -7.066 269 HD23 LEU 41 2HD2 LEU 41 -2.297 17.349 -6.323 270 H GLY 42 H GLY 42 2.338 18.554 -2.334 271 HA2 GLY 42 1HA GLY 42 2.759 20.306 -0.906 272 HA3 GLY 42 2HA GLY 42 1.986 21.385 -2.100 273 H LYS 43 H LYS 43 0.485 18.583 -0.465 274 HA LYS 43 HA LYS 43 -1.611 20.367 0.532 275 HB3 LYS 43 2HB LYS 43 -2.599 18.266 1.418 276 HG3 LYS 43 2HG LYS 43 -3.026 17.103 -0.678 277 HD3 LYS 43 2HD LYS 43 -3.685 19.826 -0.136 278 HE3 LYS 43 2HE LYS 43 -2.973 19.353 -3.059 279 HZ1 LYS 43 3HZ LYS 43 -4.078 21.870 -2.024 280 HZ2 LYS 43 1HZ LYS 43 -5.120 20.645 -2.391 281 HZ3 LYS 43 2HZ LYS 43 -4.149 21.274 -3.543 282 H THR 44 H THR 44 -2.286 20.286 2.761 283 HA THR 44 HA THR 44 -0.163 19.761 4.740 284 HB THR 44 HB THR 44 -1.050 22.013 5.797 285 HG1 THR 44 1HG THR 44 -2.362 22.134 3.520 286 HG21 THR 44 3HG2 THR 44 1.272 21.650 5.134 287 HG22 THR 44 1HG2 THR 44 0.750 23.275 4.669 288 HG23 THR 44 2HG2 THR 44 0.875 21.998 3.440 289 H GLY 45 H GLY 45 -1.157 20.012 6.986 290 HA2 GLY 45 1HA GLY 45 -2.577 19.794 8.575 291 HA3 GLY 45 2HA GLY 45 -3.746 20.530 7.459 292 H ASP 46 H ASP 46 -5.123 19.304 6.346 293 HA ASP 46 HA ASP 46 -5.309 16.478 7.065 294 HB3 ASP 46 2HB ASP 46 -6.810 17.414 8.623 295 H ASP 47 H ASP 47 -5.679 18.916 4.613 296 HA ASP 47 HA ASP 47 -7.168 17.401 2.674 297 HB3 ASP 47 2HB ASP 47 -5.281 18.753 1.200 298 H ALA 48 H ALA 48 -3.788 17.348 3.759 299 HA ALA 48 HA ALA 48 -2.804 15.607 1.672 300 HB1 ALA 48 1HB ALA 48 -1.307 17.024 3.127 301 HB2 ALA 48 2HB ALA 48 -1.804 16.061 4.530 302 HB3 ALA 48 3HB ALA 48 -0.886 15.299 3.219 303 H ARG 49 H ARG 49 -4.229 15.205 4.862 304 HA ARG 49 HA ARG 49 -3.706 12.398 5.071 305 HB3 ARG 49 2HB ARG 49 -5.558 12.412 6.778 306 HG3 ARG 49 2HG ARG 49 -3.443 14.580 7.176 307 HD3 ARG 49 2HD ARG 49 -5.210 14.798 8.832 308 HE ARG 49 HE ARG 49 -6.408 12.813 9.043 309 HH11 ARG 49 1HH1 ARG 49 -3.102 12.268 10.203 310 HH12 ARG 49 2HH1 ARG 49 -3.537 10.770 10.938 311 HH21 ARG 49 1HH2 ARG 49 -6.836 10.785 9.737 312 HH22 ARG 49 2HH2 ARG 49 -5.608 9.752 10.426 313 H ALA 50 H ALA 50 -6.516 14.338 4.068 314 HA ALA 50 HA ALA 50 -8.368 12.373 3.503 315 HB1 ALA 50 1HB ALA 50 -7.863 14.936 1.924 316 HB2 ALA 50 2HB ALA 50 -9.369 14.006 2.004 317 HB3 ALA 50 3HB ALA 50 -8.757 14.824 3.453 318 H TYR 51 H TYR 51 -6.009 13.803 1.183 319 HA TYR 51 HA TYR 51 -6.494 12.100 -0.987 320 HB3 TYR 51 2HB TYR 51 -3.857 13.365 -0.154 321 HD1 TYR 51 2HD TYR 51 -2.893 11.244 -1.372 322 HD2 TYR 51 1HD TYR 51 -5.243 14.281 -3.338 323 HE1 TYR 51 2HE TYR 51 -2.168 10.402 -3.532 324 HE2 TYR 51 1HE TYR 51 -4.232 13.648 -5.517 325 HH TYR 51 HH TYR 51 -3.333 11.832 -6.605 326 H ALA 52 H ALA 52 -4.131 11.626 1.721 327 HA ALA 52 HA ALA 52 -3.163 9.155 0.708 328 HB1 ALA 52 1HB ALA 52 -3.173 10.127 3.593 329 HB2 ALA 52 2HB ALA 52 -2.109 8.887 2.874 330 HB3 ALA 52 3HB ALA 52 -1.972 10.580 2.364 331 H LEU 53 H LEU 53 -6.153 9.813 2.383 332 HA LEU 53 HA LEU 53 -6.386 7.003 3.339 333 HB3 LEU 53 2HB LEU 53 -8.359 8.071 4.646 334 HG LEU 53 HG LEU 53 -5.426 8.688 5.071 335 HD11 LEU 53 1HD1 LEU 53 -7.512 9.348 7.155 336 HD12 LEU 53 2HD1 LEU 53 -6.818 10.561 6.079 337 HD13 LEU 53 3HD1 LEU 53 -5.766 9.681 7.188 338 HD21 LEU 53 3HD2 LEU 53 -6.384 6.355 5.458 339 HD22 LEU 53 1HD2 LEU 53 -7.382 7.030 6.735 340 HD23 LEU 53 2HD2 LEU 53 -5.598 7.063 6.865 341 H THR 54 H THR 54 -7.739 9.116 0.933 342 HA THR 54 HA THR 54 -10.251 7.753 0.712 343 HB THR 54 HB THR 54 -10.050 10.065 0.125 344 HG1 THR 54 1HG THR 54 -11.400 9.863 -1.456 345 HG21 THR 54 3HG2 THR 54 -7.710 10.132 -0.680 346 HG22 THR 54 1HG2 THR 54 -8.800 10.878 -1.812 347 HG23 THR 54 2HG2 THR 54 -8.146 9.255 -2.128 348 H VAL 55 H VAL 55 -7.081 7.129 -0.856 349 HA VAL 55 HA VAL 55 -8.279 5.448 -2.878 350 HB VAL 55 HB VAL 55 -6.300 6.605 -3.343 351 HG11 VAL 55 1HG1 VAL 55 -5.189 6.891 -1.233 352 HG12 VAL 55 2HG1 VAL 55 -4.925 5.143 -1.081 353 HG13 VAL 55 3HG1 VAL 55 -4.084 6.065 -2.335 354 HG21 VAL 55 3HG2 VAL 55 -5.482 3.692 -3.224 355 HG22 VAL 55 1HG2 VAL 55 -6.684 4.334 -4.362 356 HG23 VAL 55 2HG2 VAL 55 -5.030 4.918 -4.417 357 H VAL 56 H VAL 56 -7.867 4.956 0.406 358 HA VAL 56 HA VAL 56 -7.564 2.069 0.419 359 HB VAL 56 HB VAL 56 -8.910 3.809 2.520 360 HG11 VAL 56 1HG1 VAL 56 -8.077 2.071 4.078 361 HG12 VAL 56 2HG1 VAL 56 -9.153 1.389 2.869 362 HG13 VAL 56 3HG1 VAL 56 -7.401 1.164 2.712 363 HG21 VAL 56 3HG2 VAL 56 -5.927 3.193 2.420 364 HG22 VAL 56 1HG2 VAL 56 -6.637 4.787 2.109 365 HG23 VAL 56 2HG2 VAL 56 -6.795 4.053 3.696 366 H THR 57 H THR 57 -9.260 0.601 0.462 367 HA THR 57 HA THR 57 -11.143 -0.380 -0.039 368 HB THR 57 HB THR 57 -11.572 0.805 2.065 369 HG1 THR 57 1HG THR 57 -13.591 -0.178 0.400 370 HG21 THR 57 3HG2 THR 57 -12.158 3.017 1.672 371 HG22 THR 57 1HG2 THR 57 -13.657 2.251 2.140 372 HG23 THR 57 2HG2 THR 57 -13.349 2.606 0.433 373 H SER 58 H SER 58 -10.552 2.359 -1.764 374 HA SER 58 HA SER 58 -12.769 1.860 -3.740 375 HB3 SER 58 2HB SER 58 -11.794 3.785 -4.954 376 HG SER 58 HG SER 58 -13.407 4.014 -3.290 377 H ASP 59 H ASP 59 -11.910 -0.400 -3.992 378 HA ASP 59 HA ASP 59 -9.863 -0.515 -6.116 379 HB3 ASP 59 2HB ASP 59 -9.560 -2.519 -3.938 380 H PHE 60 H PHE 60 -10.032 -2.462 -7.384 381 HA PHE 60 HA PHE 60 -12.715 -3.232 -7.737 382 HB3 PHE 60 2HB PHE 60 -10.164 -4.423 -8.884 383 HD1 PHE 60 1HD PHE 60 -13.894 -4.214 -9.448 384 HD2 PHE 60 2HD PHE 60 -10.311 -6.544 -9.920 385 HE1 PHE 60 1HE PHE 60 -15.242 -6.097 -10.333 386 HE2 PHE 60 2HE PHE 60 -11.650 -8.415 -10.854 387 HZ PHE 60 HZ PHE 60 -14.121 -8.202 -11.047 388 H ASP 61 H ASP 61 -10.136 -5.625 -7.087 389 HA ASP 61 HA ASP 61 -11.132 -6.483 -4.656 390 HB3 ASP 61 2HB ASP 61 -11.625 -8.871 -6.367 391 H GLU 62 H GLU 62 -9.561 -7.574 -7.660 392 HA GLU 62 HA GLU 62 -7.306 -8.802 -6.157 393 HB3 GLU 62 2HB GLU 62 -7.145 -9.496 -8.900 394 HG3 GLU 62 2HG GLU 62 -8.246 -11.715 -8.136 395 HA PRO 63 HA PRO 63 -5.007 -5.362 -7.922 396 HB3 PRO 63 2HB PRO 63 -3.347 -5.765 -6.379 397 HG3 PRO 63 2HG PRO 63 -2.774 -7.955 -5.772 398 HD3 PRO 63 2HD PRO 63 -5.107 -7.892 -5.453 399 H GLY 64 H GLY 64 -4.847 -4.805 -9.888 400 HA2 GLY 64 1HA GLY 64 -3.468 -5.504 -12.126 401 HA3 GLY 64 2HA GLY 64 -4.713 -6.756 -12.100 402 H ASP 65 H ASP 65 -4.167 -3.288 -12.268 403 HA ASP 65 HA ASP 65 -6.887 -2.901 -13.430 404 HB3 ASP 65 2HB ASP 65 -7.452 -1.016 -12.053 405 H GLU 66 H GLU 66 -4.002 -1.241 -12.232 406 HA GLU 66 HA GLU 66 -2.670 0.388 -12.980 407 HB3 GLU 66 2HB GLU 66 -1.988 0.517 -15.246 408 HG3 GLU 66 2HG GLU 66 -2.770 -2.394 -14.726 409 H ASP 67 H ASP 67 -5.892 0.656 -13.013 410 HA ASP 67 HA ASP 67 -6.543 3.017 -14.472 411 HB3 ASP 67 2HB ASP 67 -8.273 3.003 -12.341 412 H VAL 68 H VAL 68 -5.427 2.367 -11.272 413 HA VAL 68 HA VAL 68 -5.623 4.816 -9.978 414 HB VAL 68 HB VAL 68 -5.150 2.455 -9.177 415 HG11 VAL 68 1HG1 VAL 68 -3.211 1.981 -10.674 416 HG12 VAL 68 2HG1 VAL 68 -2.230 3.103 -9.696 417 HG13 VAL 68 3HG1 VAL 68 -2.912 1.632 -8.968 418 HG21 VAL 68 3HG2 VAL 68 -3.394 4.674 -8.024 419 HG22 VAL 68 1HG2 VAL 68 -5.103 4.361 -7.635 420 HG23 VAL 68 2HG2 VAL 68 -3.867 3.178 -7.190 421 H PHE 69 H PHE 69 -3.092 3.629 -12.237 422 HA PHE 69 HA PHE 69 -1.209 5.759 -11.823 423 HB3 PHE 69 2HB PHE 69 -1.742 3.867 -14.147 424 HD1 PHE 69 1HD PHE 69 -1.620 5.399 -16.024 425 HD2 PHE 69 2HD PHE 69 1.511 5.185 -13.047 426 HE1 PHE 69 1HE PHE 69 -0.203 6.881 -17.399 427 HE2 PHE 69 2HE PHE 69 2.914 6.651 -14.434 428 HZ PHE 69 HZ PHE 69 2.000 7.594 -16.579 429 H ARG 70 H ARG 70 -3.919 5.233 -14.074 430 HA ARG 70 HA ARG 70 -3.606 7.587 -15.601 431 HB3 ARG 70 2HB ARG 70 -6.328 6.313 -15.137 432 HG3 ARG 70 2HG ARG 70 -5.733 5.916 -17.750 433 HD3 ARG 70 2HD ARG 70 -7.759 7.149 -16.820 434 HE ARG 70 HE ARG 70 -6.415 8.987 -15.800 435 HH11 ARG 70 1HH1 ARG 70 -7.586 9.554 -19.136 436 HH12 ARG 70 2HH1 ARG 70 -7.067 11.200 -19.081 437 HH21 ARG 70 1HH2 ARG 70 -5.505 10.939 -15.935 438 HH22 ARG 70 2HH2 ARG 70 -5.755 12.015 -17.279 439 H LYS 71 H LYS 71 -4.921 7.114 -12.426 440 HA LYS 71 HA LYS 71 -6.228 9.768 -12.336 441 HB3 LYS 71 2HB LYS 71 -5.930 8.411 -9.726 442 HG3 LYS 71 2HG LYS 71 -8.461 8.455 -9.871 443 HD3 LYS 71 2HD LYS 71 -8.708 11.030 -10.248 444 HE3 LYS 71 2HE LYS 71 -7.021 9.783 -8.065 445 HZ1 LYS 71 3HZ LYS 71 -7.413 11.758 -6.818 446 HZ2 LYS 71 1HZ LYS 71 -8.268 12.478 -8.033 447 HZ3 LYS 71 2HZ LYS 71 -6.665 12.209 -8.188 448 H LEU 72 H LEU 72 -3.470 8.128 -10.748 449 HA LEU 72 HA LEU 72 -2.326 10.265 -9.318 450 HB3 LEU 72 2HB LEU 72 -0.115 8.973 -10.325 451 HG LEU 72 HG LEU 72 -0.303 7.116 -8.683 452 HD11 LEU 72 1HD1 LEU 72 0.121 8.540 -6.754 453 HD12 LEU 72 2HD1 LEU 72 -0.650 9.924 -7.590 454 HD13 LEU 72 3HD1 LEU 72 0.843 9.204 -8.225 455 HD21 LEU 72 3HD2 LEU 72 -2.697 8.558 -7.539 456 HD22 LEU 72 1HD2 LEU 72 -1.949 7.042 -6.993 457 HD23 LEU 72 2HD2 LEU 72 -2.835 7.090 -8.518 458 H ALA 73 H ALA 73 -1.885 9.442 -12.809 459 HA ALA 73 HA ALA 73 0.049 11.440 -13.336 460 HB1 ALA 73 1HB ALA 73 -0.373 9.546 -14.836 461 HB2 ALA 73 2HB ALA 73 -2.012 10.148 -15.177 462 HB3 ALA 73 3HB ALA 73 -0.606 11.092 -15.693 463 H ALA 74 H ALA 74 -3.527 11.566 -13.558 464 HA ALA 74 HA ALA 74 -3.603 14.204 -14.742 465 HB1 ALA 74 1HB ALA 74 -5.980 14.157 -14.058 466 HB2 ALA 74 2HB ALA 74 -5.511 12.632 -14.827 467 HB3 ALA 74 3HB ALA 74 -5.665 12.717 -13.063 468 H ASP 75 H ASP 75 -3.671 12.965 -11.434 469 HA ASP 75 HA ASP 75 -4.146 15.385 -9.988 470 HB3 ASP 75 2HB ASP 75 -2.789 14.085 -8.174 471 H LEU 76 H LEU 76 -1.129 13.665 -10.823 472 HA LEU 76 HA LEU 76 0.522 15.822 -9.756 473 HB3 LEU 76 2HB LEU 76 2.316 14.079 -10.004 474 HG LEU 76 HG LEU 76 -0.167 13.176 -8.501 475 HD11 LEU 76 1HD1 LEU 76 1.331 11.275 -9.122 476 HD12 LEU 76 2HD1 LEU 76 1.212 11.560 -7.375 477 HD13 LEU 76 3HD1 LEU 76 2.658 12.071 -8.246 478 HD21 LEU 76 3HD2 LEU 76 0.886 15.252 -7.624 479 HD22 LEU 76 1HD2 LEU 76 2.449 14.419 -7.536 480 HD23 LEU 76 2HD2 LEU 76 1.105 13.891 -6.512 481 H GLU 77 H GLU 77 -0.837 15.933 -12.573 482 HA GLU 77 HA GLU 77 1.212 16.014 -14.502 483 HB3 GLU 77 2HB GLU 77 -1.167 17.928 -14.346 484 HG3 GLU 77 2HG GLU 77 -0.060 16.498 -16.815 485 H GLY 78 H GLY 78 3.142 17.105 -14.137 486 HA2 GLY 78 1HA GLY 78 4.486 19.001 -13.877 487 HA3 GLY 78 2HA GLY 78 3.113 19.950 -13.322 488 H LYS 79 H LYS 79 3.542 16.849 -11.808 489 HA LYS 79 HA LYS 79 5.241 17.922 -9.609 490 HB3 LYS 79 2HB LYS 79 3.831 16.565 -8.056 491 HG3 LYS 79 2HG LYS 79 1.690 17.809 -8.143 492 HD3 LYS 79 2HD LYS 79 4.217 19.491 -8.570 493 HE3 LYS 79 2HE LYS 79 2.663 20.759 -6.752 494 HZ1 LYS 79 3HZ LYS 79 3.670 21.663 -8.793 495 HZ2 LYS 79 1HZ LYS 79 2.158 22.267 -8.626 496 HZ3 LYS 79 2HZ LYS 79 2.451 21.074 -9.707 497 H ALA 80 H ALA 80 4.169 15.078 -11.528 498 HA ALA 80 HA ALA 80 6.589 13.628 -10.761 499 HB1 ALA 80 1HB ALA 80 3.817 12.523 -10.160 500 HB2 ALA 80 2HB ALA 80 5.356 11.774 -9.796 501 HB3 ALA 80 3HB ALA 80 4.893 13.229 -8.918 502 H ASP 81 H ASP 81 7.240 12.829 -12.706 503 HA ASP 81 HA ASP 81 5.411 12.469 -14.968 504 HB3 ASP 81 2HB ASP 81 7.478 11.063 -15.810 505 H GLU 82 H GLU 82 5.447 10.341 -16.044 506 HA GLU 82 HA GLU 82 4.466 8.208 -14.459 507 HB3 GLU 82 2HB GLU 82 5.652 8.342 -17.245 508 HG3 GLU 82 2HG GLU 82 3.707 6.328 -17.268 509 H GLU 83 H GLU 83 7.591 9.136 -15.580 510 HA GLU 83 HA GLU 83 9.372 7.121 -15.177 511 HB3 GLU 83 2HB GLU 83 9.649 9.986 -14.211 512 HG3 GLU 83 2HG GLU 83 11.655 8.282 -15.714 513 H THR 84 H THR 84 7.654 8.919 -12.645 514 HA THR 84 HA THR 84 9.115 7.389 -10.538 515 HB THR 84 HB THR 84 9.555 9.779 -10.629 516 HG1 THR 84 1HG THR 84 9.746 8.897 -8.662 517 HG21 THR 84 3HG2 THR 84 7.918 11.443 -9.841 518 HG22 THR 84 1HG2 THR 84 6.659 10.201 -10.059 519 HG23 THR 84 2HG2 THR 84 7.618 10.804 -11.440 520 H ILE 85 H ILE 85 5.975 8.669 -11.513 521 HA ILE 85 HA ILE 85 4.356 7.560 -9.463 522 HB ILE 85 HB ILE 85 3.748 7.706 -12.398 523 HG13 ILE 85 2HG1 ILE 85 4.257 9.951 -11.144 524 HG21 ILE 85 1HG2 ILE 85 1.315 7.645 -11.789 525 HG22 ILE 85 2HG2 ILE 85 2.105 6.210 -11.182 526 HG23 ILE 85 3HG2 ILE 85 1.757 7.527 -10.064 527 HD11 ILE 85 3HD1 ILE 85 2.870 10.035 -13.198 528 HD12 ILE 85 1HD1 ILE 85 1.409 9.773 -12.219 529 HD13 ILE 85 2HD1 ILE 85 2.364 11.229 -11.987 530 H ARG 86 H ARG 86 5.213 5.950 -12.618 531 HA ARG 86 HA ARG 86 3.843 3.513 -11.982 532 HB3 ARG 86 2HB ARG 86 6.103 3.015 -13.707 533 HG3 ARG 86 2HG ARG 86 4.275 3.322 -15.493 534 HD3 ARG 86 2HD ARG 86 3.360 1.291 -13.452 535 HE ARG 86 HE ARG 86 3.689 1.446 -16.379 536 HH11 ARG 86 1HH1 ARG 86 2.668 -0.796 -13.670 537 HH12 ARG 86 2HH1 ARG 86 1.542 -1.550 -14.785 538 HH21 ARG 86 1HH2 ARG 86 2.317 0.091 -17.683 539 HH22 ARG 86 2HH2 ARG 86 1.382 -1.119 -16.839 540 H ALA 87 H ALA 87 6.968 4.822 -11.275 541 HA ALA 87 HA ALA 87 8.204 2.332 -10.414 542 HB1 ALA 87 1HB ALA 87 9.922 3.575 -9.318 543 HB2 ALA 87 2HB ALA 87 9.563 4.440 -10.813 544 HB3 ALA 87 3HB ALA 87 8.966 5.053 -9.264 545 H LYS 88 H LYS 88 6.708 4.957 -8.510 546 HA LYS 88 HA LYS 88 6.758 3.504 -6.031 547 HB3 LYS 88 2HB LYS 88 5.145 5.213 -5.251 548 HG3 LYS 88 2HG LYS 88 6.473 7.181 -5.546 549 HD3 LYS 88 2HD LYS 88 8.464 4.952 -6.144 550 HE3 LYS 88 2HE LYS 88 8.873 7.686 -4.897 551 HZ1 LYS 88 3HZ LYS 88 10.409 5.672 -4.437 552 HZ2 LYS 88 1HZ LYS 88 11.074 7.132 -4.815 553 HZ3 LYS 88 2HZ LYS 88 11.011 5.946 -5.940 554 H MET 89 H MET 89 4.290 3.623 -8.559 555 HA MET 89 HA MET 89 2.266 2.118 -7.245 556 HB3 MET 89 2HB MET 89 3.080 2.601 -10.061 557 HG3 MET 89 2HG MET 89 0.732 0.844 -9.239 558 HE1 MET 89 3HE MET 89 0.805 -0.694 -12.075 559 HE2 MET 89 1HE MET 89 -0.735 -0.251 -11.312 560 HE3 MET 89 2HE MET 89 -0.409 0.185 -13.013 561 H VAL 90 H VAL 90 4.990 0.864 -9.308 562 HA VAL 90 HA VAL 90 4.577 -1.870 -8.707 563 HB VAL 90 HB VAL 90 7.030 -0.299 -9.612 564 HG11 VAL 90 1HG1 VAL 90 7.758 -2.476 -8.732 565 HG12 VAL 90 2HG1 VAL 90 6.499 -3.311 -9.660 566 HG13 VAL 90 3HG1 VAL 90 7.835 -2.496 -10.496 567 HG21 VAL 90 3HG2 VAL 90 5.194 -2.024 -11.320 568 HG22 VAL 90 1HG2 VAL 90 4.970 -0.278 -11.157 569 HG23 VAL 90 2HG2 VAL 90 6.468 -0.901 -11.836 570 H GLU 91 H GLU 91 7.076 0.334 -7.425 571 HA GLU 91 HA GLU 91 8.437 -1.419 -5.763 572 HB3 GLU 91 2HB GLU 91 9.533 0.740 -5.001 573 HG3 GLU 91 2HG GLU 91 10.080 1.599 -7.375 574 H LEU 92 H LEU 92 5.465 -0.708 -5.083 575 HA LEU 92 HA LEU 92 5.813 -0.598 -2.101 576 HB3 LEU 92 2HB LEU 92 3.515 0.476 -2.082 577 HG LEU 92 HG LEU 92 5.727 2.099 -3.489 578 HD11 LEU 92 1HD1 LEU 92 3.244 2.955 -1.938 579 HD12 LEU 92 2HD1 LEU 92 3.550 3.184 -3.652 580 HD13 LEU 92 3HD1 LEU 92 4.539 4.056 -2.480 581 HD21 LEU 92 3HD2 LEU 92 6.628 1.275 -1.409 582 HD22 LEU 92 1HD2 LEU 92 5.101 1.670 -0.574 583 HD23 LEU 92 2HD2 LEU 92 6.172 2.965 -1.168 584 H ARG 93 H ARG 93 4.236 -2.087 -4.901 585 HA ARG 93 HA ARG 93 2.314 -3.597 -3.318 586 HB3 ARG 93 2HB ARG 93 2.587 -4.928 -5.722 587 HG3 ARG 93 2HG ARG 93 0.441 -4.277 -5.293 588 HD3 ARG 93 2HD ARG 93 0.777 -2.311 -3.788 589 HE ARG 93 HE ARG 93 1.969 -0.959 -5.845 590 HH11 ARG 93 1HH1 ARG 93 -1.124 -0.398 -4.190 591 HH12 ARG 93 2HH1 ARG 93 -0.951 1.297 -4.161 592 HH21 ARG 93 1HH2 ARG 93 2.398 1.222 -5.403 593 HH22 ARG 93 2HH2 ARG 93 1.159 2.247 -4.709 594 H ALA 94 H ALA 94 5.520 -4.383 -4.767 595 HA ALA 94 HA ALA 94 5.512 -7.014 -3.489 596 HB1 ALA 94 1HB ALA 94 7.859 -7.097 -4.316 597 HB2 ALA 94 2HB ALA 94 6.686 -6.730 -5.593 598 HB3 ALA 94 3HB ALA 94 7.701 -5.439 -4.908 599 H THR 95 H THR 95 6.640 -3.795 -2.656 600 HA THR 95 HA THR 95 8.433 -4.465 -0.539 601 HB THR 95 HB THR 95 6.755 -1.974 -0.966 602 HG1 THR 95 1HG THR 95 8.505 -1.285 -1.991 603 HG21 THR 95 3HG2 THR 95 7.259 -2.093 1.488 604 HG22 THR 95 1HG2 THR 95 8.242 -0.849 0.695 605 HG23 THR 95 2HG2 THR 95 8.953 -2.425 1.098 606 H ALA 96 H ALA 96 4.967 -3.271 -0.297 607 HA ALA 96 HA ALA 96 4.968 -3.402 2.344 608 HB1 ALA 96 1HB ALA 96 2.452 -3.668 2.261 609 HB2 ALA 96 2HB ALA 96 3.033 -2.536 1.033 610 HB3 ALA 96 3HB ALA 96 2.580 -4.187 0.560 611 H ARG 97 H ARG 97 4.545 -6.126 0.131 612 HA ARG 97 HA ARG 97 3.623 -8.145 1.948 613 HB3 ARG 97 2HB ARG 97 4.924 -9.562 0.074 614 HG3 ARG 97 2HG ARG 97 2.746 -8.049 -1.255 615 HD3 ARG 97 2HD ARG 97 1.848 -10.369 -1.490 616 HE ARG 97 HE ARG 97 3.640 -9.489 -3.077 617 HH11 ARG 97 1HH1 ARG 97 4.027 -12.584 -1.251 618 HH12 ARG 97 2HH1 ARG 97 5.001 -13.277 -2.465 619 HH21 ARG 97 1HH2 ARG 97 4.531 -10.541 -4.723 620 HH22 ARG 97 2HH2 ARG 97 4.902 -12.249 -4.658 621 H GLU 98 H GLU 98 6.919 -6.947 1.297 622 HA GLU 98 HA GLU 98 8.080 -8.970 3.089 623 HB3 GLU 98 2HB GLU 98 10.093 -7.342 2.533 624 HG3 GLU 98 2HG GLU 98 10.267 -8.501 0.208 625 H GLN 99 H GLN 99 6.671 -5.685 3.192 626 HA GLN 99 HA GLN 99 8.373 -4.815 5.261 627 HB3 GLN 99 2HB GLN 99 7.095 -3.533 3.349 628 HG3 GLN 99 2HG GLN 99 5.426 -2.990 5.773 629 HE21 GLN 99 1HE2 GLN 99 6.858 -0.815 4.954 630 HE22 GLN 99 2HE2 GLN 99 5.847 0.251 4.047 631 H ILE 100 H ILE 100 5.099 -6.048 5.199 632 HA ILE 100 HA ILE 100 4.066 -5.238 7.645 633 HB ILE 100 HB ILE 100 3.777 -7.922 6.346 634 HG13 ILE 100 2HG1 ILE 100 1.505 -7.075 5.607 635 HG21 ILE 100 1HG2 ILE 100 3.028 -8.355 8.563 636 HG22 ILE 100 2HG2 ILE 100 2.156 -6.824 8.651 637 HG23 ILE 100 3HG2 ILE 100 1.573 -8.159 7.590 638 HD11 ILE 100 3HD1 ILE 100 2.434 -4.295 6.368 639 HD12 ILE 100 1HD1 ILE 100 0.917 -4.762 5.598 640 HD13 ILE 100 2HD1 ILE 100 1.203 -5.198 7.289 641 H ILE 101 H ILE 101 6.153 -8.200 7.346 642 HA ILE 101 HA ILE 101 5.975 -8.865 10.092 643 HB ILE 101 HB ILE 101 8.241 -9.516 8.197 644 HG13 ILE 101 2HG1 ILE 101 6.988 -11.656 7.915 645 HG21 ILE 101 1HG2 ILE 101 8.730 -10.081 10.550 646 HG22 ILE 101 2HG2 ILE 101 7.223 -10.984 10.674 647 HG23 ILE 101 3HG2 ILE 101 8.511 -11.521 9.578 648 HD11 ILE 101 3HD1 ILE 101 4.604 -11.752 8.046 649 HD12 ILE 101 1HD1 ILE 101 5.223 -11.420 9.668 650 HD13 ILE 101 2HD1 ILE 101 4.496 -10.113 8.695 651 H SER 102 H SER 102 7.814 -6.541 8.457 652 HA SER 102 HA SER 102 9.720 -5.966 10.672 653 HB3 SER 102 2HB SER 102 9.198 -4.804 7.962 654 HG SER 102 HG SER 102 11.027 -3.605 9.756 655 H GLU 103 H GLU 103 6.385 -5.295 10.196 656 HA GLU 103 HA GLU 103 6.428 -2.888 11.934 657 HB3 GLU 103 2HB GLU 103 4.220 -2.524 11.256 658 HG3 GLU 103 2HG GLU 103 5.473 -3.867 8.867 659 H ILE 104 H ILE 104 6.087 -6.244 12.050 660 HA ILE 104 HA ILE 104 4.328 -6.546 14.323 661 HB ILE 104 HB ILE 104 6.499 -8.357 13.174 662 HG13 ILE 104 2HG1 ILE 104 4.700 -7.874 11.595 663 HG21 ILE 104 1HG2 ILE 104 4.277 -9.297 15.019 664 HG22 ILE 104 2HG2 ILE 104 5.647 -10.212 14.382 665 HG23 ILE 104 3HG2 ILE 104 5.947 -8.962 15.568 666 HD11 ILE 104 3HD1 ILE 104 3.863 -10.514 12.764 667 HD12 ILE 104 1HD1 ILE 104 3.759 -9.966 11.084 668 HD13 ILE 104 2HD1 ILE 104 5.346 -10.330 11.810 Start of MODEL 12 1 H1 MET 1 H MET 1 4.421 -11.820 20.364 2 HA MET 1 HA MET 1 6.093 -9.753 19.113 3 HB3 MET 1 2HB MET 1 4.857 -8.758 20.914 4 HG3 MET 1 2HG MET 1 5.353 -9.281 23.278 5 HE1 MET 1 3HE MET 1 4.429 -11.348 24.936 6 HE2 MET 1 1HE MET 1 3.499 -12.718 24.279 7 HE3 MET 1 2HE MET 1 5.220 -12.534 23.879 8 H THR 2 H THR 2 6.919 -12.035 18.223 9 HA THR 2 HA THR 2 9.535 -11.971 19.356 10 HB THR 2 HB THR 2 8.693 -13.826 20.700 11 HG1 THR 2 1HG THR 2 10.233 -15.418 19.819 12 HG21 THR 2 3HG2 THR 2 8.175 -15.419 18.174 13 HG22 THR 2 1HG2 THR 2 6.917 -14.756 19.255 14 HG23 THR 2 2HG2 THR 2 8.050 -15.973 19.851 15 H THR 3 H THR 3 10.819 -11.742 17.512 16 HA THR 3 HA THR 3 10.174 -13.183 15.100 17 HB THR 3 HB THR 3 8.486 -11.372 15.042 18 HG1 THR 3 1HG THR 3 9.205 -12.060 13.156 19 HG21 THR 3 3HG2 THR 3 9.706 -9.634 16.336 20 HG22 THR 3 1HG2 THR 3 9.081 -9.054 14.803 21 HG23 THR 3 2HG2 THR 3 10.810 -9.418 14.955 22 H PHE 4 H PHE 4 11.904 -13.038 13.596 23 HA PHE 4 HA PHE 4 14.331 -11.591 14.403 24 HB3 PHE 4 2HB PHE 4 14.677 -13.481 15.636 25 HD1 PHE 4 2HD PHE 4 14.615 -15.571 12.577 26 HD2 PHE 4 1HD PHE 4 12.751 -14.739 16.373 27 HE1 PHE 4 2HE PHE 4 13.366 -17.714 12.439 28 HE2 PHE 4 1HE PHE 4 11.459 -16.842 16.202 29 HZ PHE 4 HZ PHE 4 11.769 -18.343 14.236 30 H ASP 5 H ASP 5 12.291 -11.620 12.087 31 HA ASP 5 HA ASP 5 12.211 -11.401 9.853 32 HB3 ASP 5 2HB ASP 5 15.160 -10.988 10.143 33 H ASP 6 H ASP 6 11.106 -13.331 9.656 34 HA ASP 6 HA ASP 6 12.622 -15.640 8.696 35 HB3 ASP 6 2HB ASP 6 12.303 -15.627 11.299 36 H ARG 7 H ARG 7 11.081 -17.334 7.928 37 HA ARG 7 HA ARG 7 8.507 -16.174 6.991 38 HB3 ARG 7 2HB ARG 7 8.906 -17.263 4.807 39 HG3 ARG 7 2HG ARG 7 11.233 -15.414 5.441 40 HD3 ARG 7 2HD ARG 7 9.334 -15.755 3.086 41 HE ARG 7 HE ARG 7 9.689 -13.567 2.766 42 HH11 ARG 7 1HH1 ARG 7 12.777 -15.018 3.753 43 HH12 ARG 7 2HH1 ARG 7 13.728 -13.613 3.529 44 HH21 ARG 7 1HH2 ARG 7 10.944 -11.593 2.496 45 HH22 ARG 7 2HH2 ARG 7 12.651 -11.613 2.764 46 H GLU 8 H GLU 8 9.279 -18.153 9.251 47 HA GLU 8 HA GLU 8 7.933 -20.583 8.212 48 HB3 GLU 8 2HB GLU 8 9.044 -21.672 10.164 49 HG3 GLU 8 2HG GLU 8 11.353 -21.579 9.271 50 H ARG 9 H ARG 9 5.843 -20.284 8.486 51 HA ARG 9 HA ARG 9 3.802 -19.811 9.509 52 HB3 ARG 9 2HB ARG 9 3.487 -20.900 11.682 53 HG3 ARG 9 2HG ARG 9 3.886 -23.181 11.120 54 HD3 ARG 9 2HD ARG 9 3.894 -22.249 8.282 55 HE ARG 9 HE ARG 9 2.243 -24.024 9.964 56 HH11 ARG 9 1HH1 ARG 9 2.779 -22.762 6.614 57 HH12 ARG 9 2HH1 ARG 9 1.312 -23.487 6.038 58 HH21 ARG 9 1HH2 ARG 9 0.391 -25.071 9.012 59 HH22 ARG 9 2HH2 ARG 9 0.093 -24.868 7.302 60 H ALA 10 H ALA 10 5.046 -17.535 9.404 61 HA ALA 10 HA ALA 10 4.768 -16.292 12.080 62 HB1 ALA 10 1HB ALA 10 7.086 -16.848 11.780 63 HB2 ALA 10 2HB ALA 10 7.123 -16.164 10.147 64 HB3 ALA 10 3HB ALA 10 6.922 -15.107 11.550 65 H HIS 11 H HIS 11 5.386 -15.575 8.614 66 HA HIS 11 HA HIS 11 3.571 -13.210 8.718 67 HB3 HIS 11 2HB HIS 11 5.180 -11.980 7.336 68 HD1 HIS 11 1HD HIS 11 5.797 -10.226 9.279 69 HD2 HIS 11 2HD HIS 11 7.644 -13.995 9.570 70 HE1 HIS 11 1HE HIS 11 7.263 -10.135 11.296 71 H GLU 12 H GLU 12 4.627 -16.022 7.065 72 HA GLU 12 HA GLU 12 3.358 -15.216 4.517 73 HB3 GLU 12 2HB GLU 12 4.238 -17.319 3.669 74 HG3 GLU 12 2HG GLU 12 6.604 -16.145 5.120 75 H ALA 13 H ALA 13 3.119 -17.993 6.802 76 HA ALA 13 HA ALA 13 0.465 -18.648 5.723 77 HB1 ALA 13 1HB ALA 13 2.065 -20.412 6.283 78 HB2 ALA 13 2HB ALA 13 2.091 -19.873 7.976 79 HB3 ALA 13 3HB ALA 13 0.611 -20.559 7.286 80 H LYS 14 H LYS 14 1.702 -17.116 8.627 81 HA LYS 14 HA LYS 14 -0.050 -17.702 10.576 82 HB3 LYS 14 2HB LYS 14 1.032 -14.861 10.128 83 HG3 LYS 14 2HG LYS 14 -0.174 -15.703 12.411 84 HD3 LYS 14 2HD LYS 14 2.749 -16.521 12.558 85 HE3 LYS 14 2HE LYS 14 0.903 -16.008 14.904 86 HZ1 LYS 14 3HZ LYS 14 2.332 -17.832 15.329 87 HZ2 LYS 14 1HZ LYS 14 2.965 -16.560 16.135 88 HZ3 LYS 14 2HZ LYS 14 3.677 -17.074 14.754 89 H PHE 15 H PHE 15 -0.479 -14.594 8.907 90 HA PHE 15 HA PHE 15 -3.253 -14.373 9.809 91 HB3 PHE 15 2HB PHE 15 -1.569 -12.479 9.583 92 HD1 PHE 15 1HD PHE 15 -3.509 -12.686 6.415 93 HD2 PHE 15 2HD PHE 15 0.371 -12.166 8.211 94 HE1 PHE 15 1HE PHE 15 -2.509 -12.415 4.155 95 HE2 PHE 15 2HE PHE 15 1.343 -11.703 5.934 96 HZ PHE 15 HZ PHE 15 -0.044 -11.955 3.926 97 H ALA 16 H ALA 16 -1.442 -15.218 6.874 98 HA ALA 16 HA ALA 16 -3.505 -14.829 5.051 99 HB1 ALA 16 1HB ALA 16 -1.027 -14.995 4.557 100 HB2 ALA 16 2HB ALA 16 -1.203 -16.773 4.746 101 HB3 ALA 16 3HB ALA 16 -2.054 -15.925 3.448 102 H HIS 17 H HIS 17 -3.128 -17.530 7.135 103 HA HIS 17 HA HIS 17 -4.394 -19.600 5.675 104 HB3 HIS 17 2HB HIS 17 -5.226 -19.825 8.314 105 HD1 HIS 17 1HD HIS 17 -4.700 -22.320 8.676 106 HD2 HIS 17 2HD HIS 17 -1.728 -20.188 6.576 107 HE1 HIS 17 1HE HIS 17 -2.846 -23.983 8.175 108 H ASP 18 H ASP 18 -5.727 -16.624 7.146 109 HA ASP 18 HA ASP 18 -8.477 -17.515 6.954 110 HB3 ASP 18 2HB ASP 18 -8.042 -14.665 6.854 111 H ALA 19 H ALA 19 -10.007 -16.114 5.560 112 HA ALA 19 HA ALA 19 -8.914 -15.371 2.882 113 HB1 ALA 19 1HB ALA 19 -11.761 -15.285 4.041 114 HB2 ALA 19 2HB ALA 19 -11.260 -14.748 2.428 115 HB3 ALA 19 3HB ALA 19 -11.147 -16.460 2.857 116 H GLU 20 H GLU 20 -10.737 -13.984 5.665 117 HA GLU 20 HA GLU 20 -10.666 -11.356 4.659 118 HB3 GLU 20 2HB GLU 20 -12.250 -11.695 6.341 119 HG3 GLU 20 2HG GLU 20 -10.028 -12.916 7.934 120 H LEU 21 H LEU 21 -8.187 -12.948 6.627 121 HA LEU 21 HA LEU 21 -6.872 -10.517 7.373 122 HB3 LEU 21 2HB LEU 21 -5.051 -12.485 7.808 123 HG LEU 21 HG LEU 21 -5.917 -13.246 9.881 124 HD11 LEU 21 1HD1 LEU 21 -6.083 -11.187 11.087 125 HD12 LEU 21 2HD1 LEU 21 -6.595 -10.304 9.646 126 HD13 LEU 21 3HD1 LEU 21 -4.923 -10.954 9.773 127 HD21 LEU 21 3HD2 LEU 21 -8.497 -11.766 9.262 128 HD22 LEU 21 1HD2 LEU 21 -8.055 -12.516 10.803 129 HD23 LEU 21 2HD2 LEU 21 -8.304 -13.535 9.385 130 H ASN 22 H ASN 22 -7.102 -12.028 4.380 131 HA ASN 22 HA ASN 22 -4.455 -11.034 3.427 132 HB3 ASN 22 2HB ASN 22 -5.200 -11.980 1.244 133 HD21 ASN 22 1HD2 ASN 22 -6.616 -14.239 3.525 134 HD22 ASN 22 2HD2 ASN 22 -5.330 -15.362 3.636 135 H PHE 23 H PHE 23 -7.893 -10.151 3.567 136 HA PHE 23 HA PHE 23 -7.829 -8.317 1.317 137 HB3 PHE 23 2HB PHE 23 -9.952 -7.461 2.431 138 HD1 PHE 23 1HD PHE 23 -9.516 -11.202 2.613 139 HD2 PHE 23 2HD PHE 23 -11.215 -7.853 0.500 140 HE1 PHE 23 1HE PHE 23 -10.718 -12.758 1.113 141 HE2 PHE 23 2HE PHE 23 -12.468 -9.427 -0.965 142 HZ PHE 23 HZ PHE 23 -12.221 -11.873 -0.656 143 H LYS 24 H LYS 24 -7.346 -8.107 4.855 144 HA LYS 24 HA LYS 24 -7.359 -5.549 5.448 145 HB3 LYS 24 2HB LYS 24 -7.098 -6.916 6.920 146 HG3 LYS 24 2HG LYS 24 -4.163 -7.551 6.474 147 HD3 LYS 24 2HD LYS 24 -5.107 -9.444 7.968 148 HE3 LYS 24 2HE LYS 24 -4.935 -6.586 8.806 149 HZ1 LYS 24 3HZ LYS 24 -6.600 -7.573 10.283 150 HZ2 LYS 24 1HZ LYS 24 -5.185 -7.206 11.063 151 HZ3 LYS 24 2HZ LYS 24 -5.524 -8.746 10.744 152 H ALA 25 H ALA 25 -4.549 -7.217 4.070 153 HA ALA 25 HA ALA 25 -2.742 -5.019 3.827 154 HB1 ALA 25 1HB ALA 25 -1.450 -6.593 2.423 155 HB2 ALA 25 2HB ALA 25 -2.039 -7.386 3.886 156 HB3 ALA 25 3HB ALA 25 -2.855 -7.694 2.354 157 H GLU 26 H GLU 26 -4.954 -6.593 1.434 158 HA GLU 26 HA GLU 26 -4.128 -4.931 -0.749 159 HB3 GLU 26 2HB GLU 26 -6.591 -5.914 -1.466 160 HG3 GLU 26 2HG GLU 26 -3.878 -7.240 -1.539 161 H ALA 27 H ALA 27 -6.050 -4.138 1.939 162 HA ALA 27 HA ALA 27 -6.904 -1.596 0.547 163 HB1 ALA 27 1HB ALA 27 -8.759 -3.048 1.478 164 HB2 ALA 27 2HB ALA 27 -7.993 -2.982 3.082 165 HB3 ALA 27 3HB ALA 27 -8.636 -1.496 2.328 166 H ARG 28 H ARG 28 -4.299 -2.612 2.087 167 HA ARG 28 HA ARG 28 -4.003 -0.146 3.773 168 HB3 ARG 28 2HB ARG 28 -1.826 -2.119 3.974 169 HG3 ARG 28 2HG ARG 28 -2.521 -2.173 6.396 170 HD3 ARG 28 2HD ARG 28 -2.227 0.725 5.533 171 HE ARG 28 HE ARG 28 -0.461 -0.182 7.581 172 HH11 ARG 28 1HH1 ARG 28 -3.941 0.377 7.305 173 HH12 ARG 28 2HH1 ARG 28 -4.183 0.785 8.949 174 HH21 ARG 28 1HH2 ARG 28 -0.691 0.305 9.721 175 HH22 ARG 28 2HH2 ARG 28 -2.249 0.645 10.440 176 H ARG 29 H ARG 29 -2.627 -2.122 1.135 177 HA ARG 29 HA ARG 29 -0.235 -0.727 0.792 178 HB3 ARG 29 2HB ARG 29 -0.667 -2.922 -0.170 179 HG3 ARG 29 2HG ARG 29 -2.349 -1.535 -2.272 180 HD3 ARG 29 2HD ARG 29 -2.279 -4.522 -2.029 181 HE ARG 29 HE ARG 29 -3.311 -2.661 -3.885 182 HH11 ARG 29 1HH1 ARG 29 -1.941 -5.921 -3.818 183 HH12 ARG 29 2HH1 ARG 29 -2.360 -6.276 -5.455 184 HH21 ARG 29 1HH2 ARG 29 -3.741 -3.123 -6.150 185 HH22 ARG 29 2HH2 ARG 29 -3.352 -4.687 -6.800 186 H ASN 30 H ASN 30 -3.441 0.135 -0.560 187 HA ASN 30 HA ASN 30 -2.617 2.284 -2.248 188 HB3 ASN 30 2HB ASN 30 -5.117 3.031 -1.143 189 HD21 ASN 30 1HD2 ASN 30 -6.631 0.706 -2.612 190 HD22 ASN 30 2HD2 ASN 30 -6.597 1.342 -4.196 191 H ARG 31 H ARG 31 -3.858 2.429 1.140 192 HA ARG 31 HA ARG 31 -3.548 5.185 1.495 193 HB3 ARG 31 2HB ARG 31 -3.375 2.917 3.527 194 HG3 ARG 31 2HG ARG 31 -3.961 5.880 3.934 195 HD3 ARG 31 2HD ARG 31 -5.082 3.414 5.312 196 HE ARG 31 HE ARG 31 -4.324 5.805 6.715 197 HH11 ARG 31 1HH1 ARG 31 -7.259 3.796 6.256 198 HH12 ARG 31 2HH1 ARG 31 -7.603 3.687 7.937 199 HH21 ARG 31 1HH2 ARG 31 -4.950 5.741 9.024 200 HH22 ARG 31 2HH2 ARG 31 -6.477 5.034 9.444 201 H LEU 32 H LEU 32 -1.137 2.603 2.116 202 HA LEU 32 HA LEU 32 1.011 4.210 3.031 203 HB3 LEU 32 2HB LEU 32 2.097 2.180 1.380 204 HG LEU 32 HG LEU 32 2.999 2.514 3.570 205 HD11 LEU 32 1HD1 LEU 32 0.321 1.536 4.651 206 HD12 LEU 32 2HD1 LEU 32 1.082 3.130 4.926 207 HD13 LEU 32 3HD1 LEU 32 1.824 1.677 5.609 208 HD21 LEU 32 3HD2 LEU 32 3.071 0.199 2.507 209 HD22 LEU 32 1HD2 LEU 32 1.671 -0.236 3.508 210 HD23 LEU 32 2HD2 LEU 32 3.211 0.202 4.267 211 H LEU 33 H LEU 33 -0.227 3.822 -0.297 212 HA LEU 33 HA LEU 33 2.107 5.178 -1.468 213 HB3 LEU 33 2HB LEU 33 -0.109 5.098 -3.284 214 HG LEU 33 HG LEU 33 2.176 3.101 -3.016 215 HD11 LEU 33 1HD1 LEU 33 0.207 3.627 -5.249 216 HD12 LEU 33 2HD1 LEU 33 0.424 2.117 -4.340 217 HD13 LEU 33 3HD1 LEU 33 1.689 2.702 -5.443 218 HD21 LEU 33 3HD2 LEU 33 1.790 5.575 -4.744 219 HD22 LEU 33 1HD2 LEU 33 3.119 4.408 -4.947 220 HD23 LEU 33 2HD2 LEU 33 3.010 5.372 -3.462 221 H GLY 34 H GLY 34 -1.268 5.934 -0.561 222 HA2 GLY 34 1HA GLY 34 -1.392 8.508 -1.776 223 HA3 GLY 34 2HA GLY 34 -2.387 7.939 -0.427 224 H GLU 35 H GLU 35 -0.301 7.480 1.508 225 HA GLU 35 HA GLU 35 0.088 10.138 2.469 226 HB3 GLU 35 2HB GLU 35 -0.209 8.518 4.062 227 HG3 GLU 35 2HG GLU 35 1.027 6.615 2.596 228 H TRP 36 H TRP 36 2.205 8.136 0.457 229 HA TRP 36 HA TRP 36 4.493 9.907 0.658 230 HB3 TRP 36 2HB TRP 36 3.534 7.810 -1.298 231 HD1 TRP 36 HD TRP 36 6.864 9.808 -1.025 232 HE1 TRP 36 1HE TRP 36 7.826 10.067 -3.362 233 HE3 TRP 36 3HE TRP 36 3.036 7.677 -3.710 234 HZ2 TRP 36 2HZ TRP 36 7.068 9.337 -6.106 235 HZ3 TRP 36 3HZ TRP 36 3.181 7.534 -6.184 236 HH2 TRP 36 HH TRP 36 5.196 8.399 -7.369 237 H ALA 37 H ALA 37 1.943 9.510 -1.862 238 HA ALA 37 HA ALA 37 2.867 11.627 -3.478 239 HB1 ALA 37 1HB ALA 37 0.123 10.350 -3.183 240 HB2 ALA 37 2HB ALA 37 0.550 11.464 -4.501 241 HB3 ALA 37 3HB ALA 37 1.393 9.905 -4.330 242 H ALA 38 H ALA 38 0.574 11.828 -0.715 243 HA ALA 38 HA ALA 38 -0.348 14.459 -1.010 244 HB1 ALA 38 1HB ALA 38 0.602 13.111 1.557 245 HB2 ALA 38 2HB ALA 38 -0.524 14.475 1.421 246 HB3 ALA 38 3HB ALA 38 -0.992 12.877 0.804 247 H GLY 39 H GLY 39 2.887 13.377 0.114 248 HA2 GLY 39 1HA GLY 39 3.979 15.891 0.897 249 HA3 GLY 39 2HA GLY 39 4.850 14.446 0.409 250 H LEU 40 H LEU 40 3.680 14.274 -2.220 251 HA LEU 40 HA LEU 40 5.681 15.946 -3.504 252 HB3 LEU 40 2HB LEU 40 4.821 14.629 -5.550 253 HG LEU 40 HG LEU 40 5.740 13.071 -3.097 254 HD11 LEU 40 1HD1 LEU 40 5.548 12.474 -6.107 255 HD12 LEU 40 2HD1 LEU 40 4.816 11.554 -4.772 256 HD13 LEU 40 3HD1 LEU 40 6.577 11.543 -5.031 257 HD21 LEU 40 3HD2 LEU 40 7.440 14.761 -3.736 258 HD22 LEU 40 1HD2 LEU 40 7.332 14.251 -5.444 259 HD23 LEU 40 2HD2 LEU 40 7.984 13.159 -4.211 260 H LEU 41 H LEU 41 2.118 15.681 -3.644 261 HA LEU 41 HA LEU 41 1.694 17.830 -5.544 262 HB3 LEU 41 2HB LEU 41 -0.484 18.135 -4.390 263 HG LEU 41 HG LEU 41 -1.590 16.210 -5.048 264 HD11 LEU 41 1HD1 LEU 41 -1.010 15.808 -7.287 265 HD12 LEU 41 2HD1 LEU 41 0.680 16.313 -7.028 266 HD13 LEU 41 3HD1 LEU 41 -0.642 17.506 -6.934 267 HD21 LEU 41 3HD2 LEU 41 0.939 14.645 -5.043 268 HD22 LEU 41 1HD2 LEU 41 -0.643 14.070 -5.600 269 HD23 LEU 41 2HD2 LEU 41 -0.418 14.510 -3.903 270 H GLY 42 H GLY 42 2.175 17.624 -2.046 271 HA2 GLY 42 1HA GLY 42 3.482 19.228 -0.843 272 HA3 GLY 42 2HA GLY 42 2.982 20.497 -1.979 273 H LYS 43 H LYS 43 1.457 18.034 0.140 274 HA LYS 43 HA LYS 43 -0.512 20.079 1.097 275 HB3 LYS 43 2HB LYS 43 -1.767 18.163 1.951 276 HG3 LYS 43 2HG LYS 43 -2.383 16.860 0.002 277 HD3 LYS 43 2HD LYS 43 -1.846 19.741 -0.875 278 HE3 LYS 43 2HE LYS 43 -2.511 17.994 -2.613 279 HZ1 LYS 43 3HZ LYS 43 -5.164 18.194 -1.291 280 HZ2 LYS 43 1HZ LYS 43 -4.227 16.870 -1.227 281 HZ3 LYS 43 2HZ LYS 43 -4.774 17.370 -2.675 282 H THR 44 H THR 44 -0.915 19.951 3.495 283 HA THR 44 HA THR 44 1.090 18.538 5.091 284 HB THR 44 HB THR 44 1.179 20.588 6.612 285 HG1 THR 44 1HG THR 44 0.563 21.979 4.226 286 HG21 THR 44 3HG2 THR 44 2.539 20.972 3.911 287 HG22 THR 44 1HG2 THR 44 3.096 19.872 5.180 288 HG23 THR 44 2HG2 THR 44 3.038 21.622 5.482 289 H GLY 45 H GLY 45 0.123 18.039 7.300 290 HA2 GLY 45 1HA GLY 45 -1.363 18.079 8.948 291 HA3 GLY 45 2HA GLY 45 -2.005 19.593 8.260 292 H ASP 46 H ASP 46 -4.184 19.272 8.167 293 HA ASP 46 HA ASP 46 -5.118 16.590 7.714 294 HB3 ASP 46 2HB ASP 46 -6.483 17.825 9.235 295 H ASP 47 H ASP 47 -4.446 19.232 5.647 296 HA ASP 47 HA ASP 47 -6.045 18.485 3.361 297 HB3 ASP 47 2HB ASP 47 -3.585 19.407 2.340 298 H ALA 48 H ALA 48 -2.906 17.456 4.636 299 HA ALA 48 HA ALA 48 -2.302 15.757 2.362 300 HB1 ALA 48 1HB ALA 48 -1.112 15.829 5.185 301 HB2 ALA 48 2HB ALA 48 -0.409 15.012 3.780 302 HB3 ALA 48 3HB ALA 48 -0.529 16.779 3.804 303 H ARG 49 H ARG 49 -3.765 15.394 5.552 304 HA ARG 49 HA ARG 49 -3.855 12.531 5.574 305 HB3 ARG 49 2HB ARG 49 -5.833 12.841 7.152 306 HG3 ARG 49 2HG ARG 49 -3.268 14.375 7.762 307 HD3 ARG 49 2HD ARG 49 -5.283 13.093 9.624 308 HE ARG 49 HE ARG 49 -3.161 14.911 10.569 309 HH11 ARG 49 1HH1 ARG 49 -4.380 11.582 10.435 310 HH12 ARG 49 2HH1 ARG 49 -3.358 11.008 11.701 311 HH21 ARG 49 1HH2 ARG 49 -1.903 14.230 12.221 312 HH22 ARG 49 2HH2 ARG 49 -1.852 12.581 12.773 313 H ALA 50 H ALA 50 -6.259 14.947 4.432 314 HA ALA 50 HA ALA 50 -8.274 13.336 3.532 315 HB1 ALA 50 1HB ALA 50 -8.150 15.858 3.460 316 HB2 ALA 50 2HB ALA 50 -7.158 15.738 2.004 317 HB3 ALA 50 3HB ALA 50 -8.812 15.127 1.985 318 H TYR 51 H TYR 51 -5.461 14.316 1.561 319 HA TYR 51 HA TYR 51 -6.010 12.873 -0.752 320 HB3 TYR 51 2HB TYR 51 -3.264 13.423 0.436 321 HD1 TYR 51 1HD TYR 51 -2.670 11.247 -0.966 322 HD2 TYR 51 2HD TYR 51 -4.098 14.926 -2.696 323 HE1 TYR 51 1HE TYR 51 -2.030 10.446 -3.208 324 HE2 TYR 51 2HE TYR 51 -3.248 14.235 -4.904 325 HH TYR 51 HH TYR 51 -2.642 12.438 -6.109 326 H ALA 52 H ALA 52 -4.014 11.747 2.033 327 HA ALA 52 HA ALA 52 -3.389 9.213 0.911 328 HB1 ALA 52 1HB ALA 52 -2.638 8.639 3.166 329 HB2 ALA 52 2HB ALA 52 -2.165 10.307 2.787 330 HB3 ALA 52 3HB ALA 52 -3.575 10.002 3.832 331 H LEU 53 H LEU 53 -6.349 10.302 2.321 332 HA LEU 53 HA LEU 53 -7.195 7.557 3.081 333 HB3 LEU 53 2HB LEU 53 -8.980 8.891 4.323 334 HG LEU 53 HG LEU 53 -6.035 9.397 4.930 335 HD11 LEU 53 1HD1 LEU 53 -6.611 10.230 7.101 336 HD12 LEU 53 2HD1 LEU 53 -8.350 9.977 6.806 337 HD13 LEU 53 3HD1 LEU 53 -7.450 11.219 5.918 338 HD21 LEU 53 3HD2 LEU 53 -8.089 7.521 6.158 339 HD22 LEU 53 1HD2 LEU 53 -6.413 7.732 6.702 340 HD23 LEU 53 2HD2 LEU 53 -6.739 7.053 5.108 341 H THR 54 H THR 54 -7.940 10.097 0.764 342 HA THR 54 HA THR 54 -10.582 9.169 0.201 343 HB THR 54 HB THR 54 -9.542 11.458 -0.197 344 HG1 THR 54 1HG THR 54 -11.034 10.352 -2.339 345 HG21 THR 54 3HG2 THR 54 -7.596 10.721 -1.607 346 HG22 THR 54 1HG2 THR 54 -8.578 12.000 -2.307 347 HG23 THR 54 2HG2 THR 54 -8.747 10.340 -2.906 348 H VAL 55 H VAL 55 -7.429 8.111 -0.894 349 HA VAL 55 HA VAL 55 -8.192 6.757 -3.261 350 HB VAL 55 HB VAL 55 -5.961 7.611 -2.551 351 HG11 VAL 55 1HG1 VAL 55 -5.890 6.861 -0.230 352 HG12 VAL 55 2HG1 VAL 55 -5.843 5.169 -0.750 353 HG13 VAL 55 3HG1 VAL 55 -4.492 6.257 -1.131 354 HG21 VAL 55 3HG2 VAL 55 -6.176 6.087 -4.422 355 HG22 VAL 55 1HG2 VAL 55 -4.654 5.810 -3.547 356 HG23 VAL 55 2HG2 VAL 55 -6.016 4.699 -3.333 357 H VAL 56 H VAL 56 -9.328 6.046 -0.263 358 HA VAL 56 HA VAL 56 -9.581 3.151 -0.681 359 HB VAL 56 HB VAL 56 -7.558 3.220 0.464 360 HG11 VAL 56 1HG1 VAL 56 -7.157 4.196 2.666 361 HG12 VAL 56 2HG1 VAL 56 -7.489 5.438 1.454 362 HG13 VAL 56 3HG1 VAL 56 -8.739 4.987 2.626 363 HG21 VAL 56 3HG2 VAL 56 -8.117 1.939 2.512 364 HG22 VAL 56 1HG2 VAL 56 -9.796 2.463 2.361 365 HG23 VAL 56 2HG2 VAL 56 -9.076 1.453 1.100 366 H THR 57 H THR 57 -11.639 3.747 -1.253 367 HA THR 57 HA THR 57 -13.479 4.247 0.968 368 HB THR 57 HB THR 57 -12.543 6.467 0.275 369 HG1 THR 57 1HG THR 57 -15.287 5.923 0.059 370 HG21 THR 57 3HG2 THR 57 -12.445 6.054 -2.209 371 HG22 THR 57 1HG2 THR 57 -13.217 7.572 -1.736 372 HG23 THR 57 2HG2 THR 57 -14.211 6.198 -2.252 373 H SER 58 H SER 58 -12.869 3.379 -2.368 374 HA SER 58 HA SER 58 -15.671 2.332 -2.603 375 HB3 SER 58 2HB SER 58 -15.719 3.177 -4.951 376 HG SER 58 HG SER 58 -16.139 5.320 -4.368 377 H ASP 59 H ASP 59 -12.389 2.276 -4.179 378 HA ASP 59 HA ASP 59 -12.847 -0.390 -5.282 379 HB3 ASP 59 2HB ASP 59 -10.355 1.232 -4.805 380 H PHE 60 H PHE 60 -13.155 -2.063 -4.075 381 HA PHE 60 HA PHE 60 -11.420 -2.507 -1.775 382 HB3 PHE 60 2HB PHE 60 -13.402 -1.924 -0.693 383 HD1 PHE 60 2HD PHE 60 -14.552 -5.169 -2.179 384 HD2 PHE 60 1HD PHE 60 -15.457 -1.020 -1.426 385 HE1 PHE 60 2HE PHE 60 -16.873 -5.527 -2.988 386 HE2 PHE 60 1HE PHE 60 -17.804 -1.414 -2.133 387 HZ PHE 60 HZ PHE 60 -18.504 -3.653 -2.936 388 H ASP 61 H ASP 61 -13.120 -3.750 -4.615 389 HA ASP 61 HA ASP 61 -11.340 -6.095 -4.463 390 HB3 ASP 61 2HB ASP 61 -14.332 -6.402 -4.946 391 H GLU 62 H GLU 62 -11.195 -3.707 -6.044 392 HA GLU 62 HA GLU 62 -11.688 -4.812 -8.780 393 HB3 GLU 62 2HB GLU 62 -11.742 -1.961 -7.739 394 HG3 GLU 62 2HG GLU 62 -12.087 -3.134 -10.524 395 HA PRO 63 HA PRO 63 -7.127 -4.303 -8.376 396 HB3 PRO 63 2HB PRO 63 -6.833 -6.505 -7.668 397 HG3 PRO 63 2HG PRO 63 -8.308 -8.241 -8.369 398 HD3 PRO 63 2HD PRO 63 -9.762 -6.663 -7.423 399 H GLY 64 H GLY 64 -5.984 -3.492 -10.081 400 HA2 GLY 64 1HA GLY 64 -6.800 -4.084 -12.887 401 HA3 GLY 64 2HA GLY 64 -6.914 -2.429 -12.293 402 H ASP 65 H ASP 65 -4.291 -4.063 -10.883 403 HA ASP 65 HA ASP 65 -2.062 -3.675 -10.879 404 HB3 ASP 65 2HB ASP 65 -2.462 -4.679 -13.713 405 H GLU 66 H GLU 66 -2.534 -2.687 -14.257 406 HA GLU 66 HA GLU 66 -0.569 -0.546 -14.069 407 HB3 GLU 66 2HB GLU 66 -2.438 -1.187 -16.381 408 HG3 GLU 66 2HG GLU 66 -0.508 0.671 -16.360 409 H ASP 67 H ASP 67 -4.024 -0.826 -13.688 410 HA ASP 67 HA ASP 67 -4.947 1.439 -15.175 411 HB3 ASP 67 2HB ASP 67 -6.049 -0.141 -12.815 412 H VAL 68 H VAL 68 -4.059 0.935 -11.876 413 HA VAL 68 HA VAL 68 -4.625 3.568 -10.869 414 HB VAL 68 HB VAL 68 -3.247 1.047 -9.887 415 HG11 VAL 68 1HG1 VAL 68 -3.580 2.045 -7.556 416 HG12 VAL 68 2HG1 VAL 68 -2.358 2.919 -8.501 417 HG13 VAL 68 3HG1 VAL 68 -3.989 3.590 -8.323 418 HG21 VAL 68 3HG2 VAL 68 -5.320 0.792 -8.530 419 HG22 VAL 68 1HG2 VAL 68 -5.973 2.277 -9.256 420 HG23 VAL 68 2HG2 VAL 68 -5.688 0.842 -10.253 421 H PHE 69 H PHE 69 -1.966 2.353 -12.785 422 HA PHE 69 HA PHE 69 0.007 4.271 -11.784 423 HB3 PHE 69 2HB PHE 69 -0.161 2.768 -14.425 424 HD1 PHE 69 1HD PHE 69 2.929 3.620 -12.493 425 HD2 PHE 69 2HD PHE 69 0.411 4.535 -15.912 426 HE1 PHE 69 1HE PHE 69 4.598 5.131 -13.330 427 HE2 PHE 69 2HE PHE 69 2.191 6.030 -16.789 428 HZ PHE 69 HZ PHE 69 4.218 6.424 -15.472 429 H ARG 70 H ARG 70 -2.277 4.041 -14.560 430 HA ARG 70 HA ARG 70 -1.947 6.587 -15.620 431 HB3 ARG 70 2HB ARG 70 -4.666 5.234 -15.492 432 HG3 ARG 70 2HG ARG 70 -4.307 5.454 -18.064 433 HD3 ARG 70 2HD ARG 70 -4.683 8.044 -16.530 434 HE ARG 70 HE ARG 70 -5.046 7.458 -19.270 435 HH11 ARG 70 1HH1 ARG 70 -6.956 8.742 -16.571 436 HH12 ARG 70 2HH1 ARG 70 -7.807 9.912 -17.541 437 HH21 ARG 70 1HH2 ARG 70 -6.172 8.994 -20.529 438 HH22 ARG 70 2HH2 ARG 70 -7.380 10.033 -19.825 439 H LYS 71 H LYS 71 -3.657 5.682 -12.762 440 HA LYS 71 HA LYS 71 -5.031 8.211 -12.252 441 HB3 LYS 71 2HB LYS 71 -4.343 5.839 -10.484 442 HG3 LYS 71 2HG LYS 71 -6.324 8.074 -9.933 443 HD3 LYS 71 2HD LYS 71 -5.495 5.526 -8.489 444 HE3 LYS 71 2HE LYS 71 -5.462 7.505 -6.958 445 HZ1 LYS 71 3HZ LYS 71 -7.511 8.489 -6.363 446 HZ2 LYS 71 1HZ LYS 71 -8.383 7.518 -7.357 447 HZ3 LYS 71 2HZ LYS 71 -7.377 8.681 -7.989 448 H LEU 72 H LEU 72 -2.179 6.625 -10.651 449 HA LEU 72 HA LEU 72 -1.471 8.905 -9.130 450 HB3 LEU 72 2HB LEU 72 0.888 7.709 -9.206 451 HG LEU 72 HG LEU 72 -1.673 6.687 -7.977 452 HD11 LEU 72 1HD1 LEU 72 1.010 5.296 -7.615 453 HD12 LEU 72 2HD1 LEU 72 -0.354 4.659 -8.559 454 HD13 LEU 72 3HD1 LEU 72 -0.540 4.916 -6.823 455 HD21 LEU 72 3HD2 LEU 72 0.967 7.773 -6.901 456 HD22 LEU 72 1HD2 LEU 72 -0.352 7.203 -5.872 457 HD23 LEU 72 2HD2 LEU 72 -0.593 8.612 -6.927 458 H ALA 73 H ALA 73 -0.250 7.876 -12.337 459 HA ALA 73 HA ALA 73 1.773 9.841 -12.585 460 HB1 ALA 73 1HB ALA 73 1.630 9.222 -15.005 461 HB2 ALA 73 2HB ALA 73 1.672 7.800 -13.943 462 HB3 ALA 73 3HB ALA 73 0.128 8.337 -14.647 463 H ALA 74 H ALA 74 -1.723 10.069 -13.173 464 HA ALA 74 HA ALA 74 -1.464 12.613 -14.608 465 HB1 ALA 74 1HB ALA 74 -3.799 11.298 -13.192 466 HB2 ALA 74 2HB ALA 74 -3.916 12.691 -14.287 467 HB3 ALA 74 3HB ALA 74 -3.396 11.114 -14.918 468 H ASP 75 H ASP 75 -1.732 11.567 -11.260 469 HA ASP 75 HA ASP 75 -2.428 14.173 -10.155 470 HB3 ASP 75 2HB ASP 75 -1.336 12.716 -8.072 471 H LEU 76 H LEU 76 0.546 12.104 -9.883 472 HA LEU 76 HA LEU 76 2.174 14.386 -9.134 473 HB3 LEU 76 2HB LEU 76 3.972 12.726 -9.042 474 HG LEU 76 HG LEU 76 3.501 11.580 -7.238 475 HD11 LEU 76 1HD1 LEU 76 1.101 13.456 -7.125 476 HD12 LEU 76 2HD1 LEU 76 2.781 13.956 -6.867 477 HD13 LEU 76 3HD1 LEU 76 2.023 12.784 -5.770 478 HD21 LEU 76 3HD2 LEU 76 1.550 10.370 -6.668 479 HD22 LEU 76 1HD2 LEU 76 2.010 10.010 -8.344 480 HD23 LEU 76 2HD2 LEU 76 0.635 11.096 -8.011 481 H GLU 77 H GLU 77 0.953 14.401 -11.898 482 HA GLU 77 HA GLU 77 2.993 13.872 -13.796 483 HB3 GLU 77 2HB GLU 77 0.904 16.041 -14.170 484 HG3 GLU 77 2HG GLU 77 2.310 13.970 -15.890 485 H GLY 78 H GLY 78 4.974 14.664 -13.574 486 HA2 GLY 78 1HA GLY 78 6.563 16.384 -13.827 487 HA3 GLY 78 2HA GLY 78 5.447 17.563 -13.157 488 H LYS 79 H LYS 79 5.226 14.912 -11.133 489 HA LYS 79 HA LYS 79 7.255 16.060 -9.234 490 HB3 LYS 79 2HB LYS 79 5.856 15.819 -7.432 491 HG3 LYS 79 2HG LYS 79 3.527 16.518 -7.895 492 HD3 LYS 79 2HD LYS 79 4.083 18.402 -9.630 493 HE3 LYS 79 2HE LYS 79 5.529 18.355 -6.945 494 HZ1 LYS 79 3HZ LYS 79 4.371 20.634 -8.452 495 HZ2 LYS 79 1HZ LYS 79 5.975 20.288 -8.377 496 HZ3 LYS 79 2HZ LYS 79 5.184 20.708 -7.015 497 H ALA 80 H ALA 80 5.744 12.976 -10.419 498 HA ALA 80 HA ALA 80 8.161 11.581 -9.533 499 HB1 ALA 80 1HB ALA 80 6.463 11.205 -7.767 500 HB2 ALA 80 2HB ALA 80 5.268 10.721 -9.001 501 HB3 ALA 80 3HB ALA 80 6.698 9.732 -8.712 502 H ASP 81 H ASP 81 8.847 10.519 -11.277 503 HA ASP 81 HA ASP 81 7.332 10.558 -13.811 504 HB3 ASP 81 2HB ASP 81 9.362 9.263 -14.656 505 H GLU 82 H GLU 82 7.462 8.432 -15.072 506 HA GLU 82 HA GLU 82 5.856 6.550 -14.068 507 HB3 GLU 82 2HB GLU 82 8.038 6.302 -16.193 508 HG3 GLU 82 2HG GLU 82 6.328 4.655 -17.254 509 H GLU 83 H GLU 83 9.329 6.291 -14.277 510 HA GLU 83 HA GLU 83 10.007 4.037 -12.915 511 HB3 GLU 83 2HB GLU 83 11.171 6.838 -13.077 512 HG3 GLU 83 2HG GLU 83 12.450 4.424 -11.739 513 H THR 84 H THR 84 9.307 7.239 -11.367 514 HA THR 84 HA THR 84 10.067 6.356 -8.765 515 HB THR 84 HB THR 84 8.284 8.697 -9.476 516 HG1 THR 84 1HG THR 84 11.065 8.684 -9.989 517 HG21 THR 84 3HG2 THR 84 10.605 8.520 -7.524 518 HG22 THR 84 1HG2 THR 84 8.882 8.396 -7.108 519 HG23 THR 84 2HG2 THR 84 9.520 9.914 -7.771 520 H ILE 85 H ILE 85 6.900 6.976 -10.337 521 HA ILE 85 HA ILE 85 5.173 6.328 -8.190 522 HB ILE 85 HB ILE 85 4.999 6.022 -11.185 523 HG13 ILE 85 2HG1 ILE 85 5.423 8.383 -10.194 524 HG21 ILE 85 1HG2 ILE 85 2.498 6.044 -10.940 525 HG22 ILE 85 2HG2 ILE 85 3.203 4.661 -10.131 526 HG23 ILE 85 3HG2 ILE 85 2.692 6.063 -9.171 527 HD11 ILE 85 3HD1 ILE 85 4.329 8.166 -12.404 528 HD12 ILE 85 1HD1 ILE 85 2.749 8.108 -11.593 529 HD13 ILE 85 2HD1 ILE 85 3.747 9.561 -11.469 530 H ARG 86 H ARG 86 6.375 4.297 -10.932 531 HA ARG 86 HA ARG 86 5.207 1.865 -9.937 532 HB3 ARG 86 2HB ARG 86 7.345 1.046 -11.473 533 HG3 ARG 86 2HG ARG 86 5.549 1.804 -13.435 534 HD3 ARG 86 2HD ARG 86 4.324 -0.393 -12.754 535 HE ARG 86 HE ARG 86 7.187 -0.211 -13.537 536 HH11 ARG 86 1HH1 ARG 86 4.005 -1.860 -13.937 537 HH12 ARG 86 2HH1 ARG 86 4.497 -2.631 -15.392 538 HH21 ARG 86 1HH2 ARG 86 7.737 -1.276 -15.452 539 HH22 ARG 86 2HH2 ARG 86 6.726 -2.516 -16.126 540 H ALA 87 H ALA 87 8.120 3.614 -9.092 541 HA ALA 87 HA ALA 87 9.343 1.323 -7.766 542 HB1 ALA 87 1HB ALA 87 10.722 3.317 -8.351 543 HB2 ALA 87 2HB ALA 87 9.855 4.275 -7.136 544 HB3 ALA 87 3HB ALA 87 10.828 2.899 -6.628 545 H LYS 88 H LYS 88 7.649 4.178 -6.349 546 HA LYS 88 HA LYS 88 7.405 3.042 -3.752 547 HB3 LYS 88 2HB LYS 88 5.405 4.600 -3.493 548 HG3 LYS 88 2HG LYS 88 7.015 6.619 -4.504 549 HD3 LYS 88 2HD LYS 88 6.096 6.437 -2.209 550 HE3 LYS 88 2HE LYS 88 8.556 4.806 -1.530 551 HZ1 LYS 88 3HZ LYS 88 7.590 4.858 0.683 552 HZ2 LYS 88 1HZ LYS 88 6.331 5.746 0.227 553 HZ3 LYS 88 2HZ LYS 88 7.842 6.383 0.199 554 H MET 89 H MET 89 5.305 2.650 -6.584 555 HA MET 89 HA MET 89 3.219 1.219 -5.274 556 HB3 MET 89 2HB MET 89 4.247 1.436 -8.091 557 HG3 MET 89 2HG MET 89 1.903 0.442 -8.641 558 HE1 MET 89 3HE MET 89 2.752 -0.325 -10.906 559 HE2 MET 89 1HE MET 89 3.249 -2.025 -11.030 560 HE3 MET 89 2HE MET 89 1.726 -1.606 -10.217 561 H VAL 90 H VAL 90 6.258 -0.067 -6.840 562 HA VAL 90 HA VAL 90 5.779 -2.758 -6.034 563 HB VAL 90 HB VAL 90 8.258 -1.148 -6.749 564 HG11 VAL 90 1HG1 VAL 90 9.356 -3.450 -6.934 565 HG12 VAL 90 2HG1 VAL 90 9.165 -2.778 -5.316 566 HG13 VAL 90 3HG1 VAL 90 8.055 -4.052 -5.868 567 HG21 VAL 90 3HG2 VAL 90 8.212 -2.493 -8.766 568 HG22 VAL 90 1HG2 VAL 90 6.791 -3.397 -8.197 569 HG23 VAL 90 2HG2 VAL 90 6.679 -1.661 -8.581 570 H GLU 91 H GLU 91 7.875 -0.232 -4.518 571 HA GLU 91 HA GLU 91 8.753 -1.885 -2.429 572 HB3 GLU 91 2HB GLU 91 9.567 0.333 -1.478 573 HG3 GLU 91 2HG GLU 91 10.164 -0.196 -4.421 574 H LEU 92 H LEU 92 5.690 -0.697 -2.680 575 HA LEU 92 HA LEU 92 5.278 -0.670 0.290 576 HB3 LEU 92 2HB LEU 92 3.117 0.544 -0.407 577 HG LEU 92 HG LEU 92 5.801 1.935 -1.052 578 HD11 LEU 92 1HD1 LEU 92 4.485 4.008 -0.408 579 HD12 LEU 92 2HD1 LEU 92 3.026 2.995 -0.489 580 HD13 LEU 92 3HD1 LEU 92 4.047 3.244 -1.930 581 HD21 LEU 92 3HD2 LEU 92 5.705 2.869 1.228 582 HD22 LEU 92 1HD2 LEU 92 5.937 1.134 1.238 583 HD23 LEU 92 2HD2 LEU 92 4.339 1.825 1.611 584 H ARG 93 H ARG 93 4.732 -2.504 -2.550 585 HA ARG 93 HA ARG 93 2.147 -3.634 -1.764 586 HB3 ARG 93 2HB ARG 93 3.395 -5.332 -3.624 587 HG3 ARG 93 2HG ARG 93 1.257 -4.663 -4.217 588 HD3 ARG 93 2HD ARG 93 2.071 -1.752 -3.863 589 HE ARG 93 HE ARG 93 0.688 -2.772 -6.070 590 HH11 ARG 93 1HH1 ARG 93 0.017 -0.404 -3.540 591 HH12 ARG 93 2HH1 ARG 93 -1.336 0.275 -4.415 592 HH21 ARG 93 1HH2 ARG 93 -1.176 -1.804 -7.158 593 HH22 ARG 93 2HH2 ARG 93 -2.038 -0.554 -6.330 594 H ALA 94 H ALA 94 5.365 -5.226 -2.209 595 HA ALA 94 HA ALA 94 4.622 -7.445 -0.590 596 HB1 ALA 94 1HB ALA 94 6.342 -7.604 -2.316 597 HB2 ALA 94 2HB ALA 94 7.357 -6.434 -1.468 598 HB3 ALA 94 3HB ALA 94 7.038 -8.020 -0.734 599 H THR 95 H THR 95 6.131 -4.339 0.188 600 HA THR 95 HA THR 95 6.797 -4.809 2.894 601 HB THR 95 HB THR 95 5.838 -2.252 1.556 602 HG1 THR 95 1HG THR 95 7.806 -2.076 0.818 603 HG21 THR 95 3HG2 THR 95 7.579 -2.659 4.033 604 HG22 THR 95 1HG2 THR 95 5.916 -2.035 4.034 605 HG23 THR 95 2HG2 THR 95 7.198 -1.101 3.262 606 H ALA 96 H ALA 96 3.696 -3.256 1.605 607 HA ALA 96 HA ALA 96 2.427 -3.032 4.040 608 HB1 ALA 96 1HB ALA 96 1.200 -3.634 1.324 609 HB2 ALA 96 2HB ALA 96 0.300 -3.101 2.759 610 HB3 ALA 96 3HB ALA 96 1.508 -2.035 2.040 611 H ARG 97 H ARG 97 2.630 -5.933 1.975 612 HA ARG 97 HA ARG 97 0.697 -7.576 3.243 613 HB3 ARG 97 2HB ARG 97 3.282 -8.015 1.665 614 HG3 ARG 97 2HG ARG 97 1.243 -10.134 2.471 615 HD3 ARG 97 2HD ARG 97 2.286 -10.378 0.129 616 HE ARG 97 HE ARG 97 4.693 -9.855 1.276 617 HH11 ARG 97 1HH1 ARG 97 3.448 -12.794 -0.283 618 HH12 ARG 97 2HH1 ARG 97 4.969 -13.634 -0.233 619 HH21 ARG 97 1HH2 ARG 97 6.687 -10.768 1.053 620 HH22 ARG 97 2HH2 ARG 97 6.914 -12.390 0.504 621 H GLU 98 H GLU 98 4.164 -7.012 4.047 622 HA GLU 98 HA GLU 98 4.051 -8.923 6.220 623 HB3 GLU 98 2HB GLU 98 6.300 -7.060 5.332 624 HG3 GLU 98 2HG GLU 98 7.595 -9.235 5.913 625 H GLN 99 H GLN 99 4.287 -5.323 5.798 626 HA GLN 99 HA GLN 99 4.496 -4.490 8.375 627 HB3 GLN 99 2HB GLN 99 2.563 -2.810 7.105 628 HG3 GLN 99 2HG GLN 99 5.544 -2.500 6.717 629 HE21 GLN 99 1HE2 GLN 99 6.075 -0.328 6.226 630 HE22 GLN 99 2HE2 GLN 99 4.953 1.001 6.387 631 H ILE 100 H ILE 100 1.656 -6.084 6.975 632 HA ILE 100 HA ILE 100 -0.238 -5.286 8.969 633 HB ILE 100 HB ILE 100 0.182 -7.732 7.294 634 HG13 ILE 100 2HG1 ILE 100 -1.825 -6.944 6.072 635 HG21 ILE 100 1HG2 ILE 100 -2.002 -7.313 9.332 636 HG22 ILE 100 2HG2 ILE 100 -2.225 -8.385 7.911 637 HG23 ILE 100 3HG2 ILE 100 -0.949 -8.717 9.071 638 HD11 ILE 100 3HD1 ILE 100 -3.076 -5.729 7.854 639 HD12 ILE 100 1HD1 ILE 100 -1.852 -4.447 7.803 640 HD13 ILE 100 2HD1 ILE 100 -2.843 -4.779 6.380 641 H ILE 101 H ILE 101 2.150 -8.122 9.081 642 HA ILE 101 HA ILE 101 1.304 -8.859 11.691 643 HB ILE 101 HB ILE 101 3.996 -9.228 10.272 644 HG13 ILE 101 2HG1 ILE 101 1.493 -10.966 10.328 645 HG21 ILE 101 1HG2 ILE 101 4.284 -9.677 12.623 646 HG22 ILE 101 2HG2 ILE 101 2.774 -10.613 12.687 647 HG23 ILE 101 3HG2 ILE 101 4.199 -11.227 11.796 648 HD11 ILE 101 3HD1 ILE 101 3.158 -9.734 8.118 649 HD12 ILE 101 1HD1 ILE 101 2.345 -11.261 7.868 650 HD13 ILE 101 2HD1 ILE 101 1.367 -9.828 8.258 651 H SER 102 H SER 102 3.398 -6.392 10.534 652 HA SER 102 HA SER 102 4.834 -5.924 13.074 653 HB3 SER 102 2HB SER 102 4.349 -4.130 10.687 654 HG SER 102 HG SER 102 6.035 -2.837 11.997 655 H GLU 103 H GLU 103 1.750 -4.892 11.687 656 HA GLU 103 HA GLU 103 1.053 -3.188 13.910 657 HB3 GLU 103 2HB GLU 103 -0.560 -4.146 11.499 658 HG3 GLU 103 2HG GLU 103 -1.842 -3.051 13.230 659 H ILE 104 H ILE 104 0.239 -6.473 12.866 660 HA ILE 104 HA ILE 104 -2.082 -6.900 14.374 661 HB ILE 104 HB ILE 104 0.072 -8.955 13.687 662 HG13 ILE 104 2HG1 ILE 104 -1.335 -7.803 11.777 663 HG21 ILE 104 1HG2 ILE 104 -2.766 -9.301 14.767 664 HG22 ILE 104 2HG2 ILE 104 -1.827 -10.638 14.129 665 HG23 ILE 104 3HG2 ILE 104 -1.289 -9.802 15.578 666 HD11 ILE 104 3HD1 ILE 104 -2.097 -10.017 10.724 667 HD12 ILE 104 1HD1 ILE 104 -0.367 -9.829 11.001 668 HD13 ILE 104 2HD1 ILE 104 -1.316 -10.833 12.081 Start of MODEL 13 1 H1 MET 1 H MET 1 -3.939 -23.228 19.687 2 HA MET 1 HA MET 1 -6.105 -24.144 20.223 3 HB3 MET 1 2HB MET 1 -5.473 -25.189 22.340 4 HG3 MET 1 2HG MET 1 -5.859 -22.441 23.602 5 HE1 MET 1 3HE MET 1 -8.006 -24.594 24.450 6 HE2 MET 1 1HE MET 1 -7.846 -24.478 26.214 7 HE3 MET 1 2HE MET 1 -7.762 -23.008 25.216 8 H THR 2 H THR 2 -4.534 -21.224 21.744 9 HA THR 2 HA THR 2 -6.746 -19.648 20.569 10 HB THR 2 HB THR 2 -6.677 -19.762 23.088 11 HG1 THR 2 1HG THR 2 -7.132 -17.690 23.303 12 HG21 THR 2 3HG2 THR 2 -4.148 -18.075 22.820 13 HG22 THR 2 1HG2 THR 2 -4.209 -19.743 23.428 14 HG23 THR 2 2HG2 THR 2 -5.031 -18.450 24.309 15 H THR 3 H THR 3 -5.784 -17.350 20.096 16 HA THR 3 HA THR 3 -3.009 -17.195 19.248 17 HB THR 3 HB THR 3 -4.109 -16.658 16.806 18 HG1 THR 3 1HG THR 3 -5.365 -18.706 16.430 19 HG21 THR 3 3HG2 THR 3 -3.136 -19.431 17.557 20 HG22 THR 3 1HG2 THR 3 -2.100 -18.030 17.225 21 HG23 THR 3 2HG2 THR 3 -3.143 -18.676 15.956 22 H PHE 4 H PHE 4 -3.230 -15.391 20.759 23 HA PHE 4 HA PHE 4 -4.219 -13.025 19.425 24 HB3 PHE 4 2HB PHE 4 -5.241 -13.720 22.211 25 HD1 PHE 4 2HD PHE 4 -5.691 -11.494 19.136 26 HD2 PHE 4 1HD PHE 4 -6.406 -12.043 23.369 27 HE1 PHE 4 2HE PHE 4 -6.638 -9.231 19.281 28 HE2 PHE 4 1HE PHE 4 -7.345 -9.749 23.481 29 HZ PHE 4 HZ PHE 4 -7.470 -8.343 21.446 30 H ASP 5 H ASP 5 -2.606 -11.693 19.619 31 HA ASP 5 HA ASP 5 -0.477 -11.155 19.818 32 HB3 ASP 5 2HB ASP 5 -0.639 -11.044 22.818 33 H ASP 6 H ASP 6 -0.023 -13.336 18.988 34 HA ASP 6 HA ASP 6 2.110 -14.461 20.612 35 HB3 ASP 6 2HB ASP 6 -0.051 -16.309 19.550 36 H ARG 7 H ARG 7 3.678 -15.275 19.231 37 HA ARG 7 HA ARG 7 3.299 -14.713 16.386 38 HB3 ARG 7 2HB ARG 7 5.019 -13.382 17.136 39 HG3 ARG 7 2HG ARG 7 5.705 -15.956 18.245 40 HD3 ARG 7 2HD ARG 7 7.883 -13.996 17.404 41 HE ARG 7 HE ARG 7 8.800 -14.616 19.395 42 HH11 ARG 7 1HH1 ARG 7 7.596 -17.623 17.906 43 HH12 ARG 7 2HH1 ARG 7 8.183 -18.611 19.200 44 HH21 ARG 7 1HH2 ARG 7 9.545 -15.848 20.993 45 HH22 ARG 7 2HH2 ARG 7 9.277 -17.577 21.061 46 H GLU 8 H GLU 8 2.998 -17.266 18.301 47 HA GLU 8 HA GLU 8 4.203 -19.391 16.913 48 HB3 GLU 8 2HB GLU 8 1.503 -20.036 17.919 49 HG3 GLU 8 2HG GLU 8 4.344 -20.792 18.644 50 H ARG 9 H ARG 9 3.941 -20.070 14.828 51 HA ARG 9 HA ARG 9 3.187 -20.090 12.678 52 HB3 ARG 9 2HB ARG 9 0.585 -21.003 12.857 53 HG3 ARG 9 2HG ARG 9 2.857 -22.130 12.164 54 HD3 ARG 9 2HD ARG 9 1.953 -23.455 14.696 55 HE ARG 9 HE ARG 9 3.344 -24.558 12.731 56 HH11 ARG 9 1HH1 ARG 9 4.761 -23.306 15.744 57 HH12 ARG 9 2HH1 ARG 9 6.264 -24.094 15.546 58 HH21 ARG 9 1HH2 ARG 9 5.459 -25.306 12.350 59 HH22 ARG 9 2HH2 ARG 9 6.598 -25.471 13.646 60 H ALA 10 H ALA 10 3.277 -17.533 13.560 61 HA ALA 10 HA ALA 10 0.835 -16.279 12.345 62 HB1 ALA 10 1HB ALA 10 1.065 -15.997 14.821 63 HB2 ALA 10 2HB ALA 10 2.590 -15.111 14.498 64 HB3 ALA 10 3HB ALA 10 1.060 -14.471 13.904 65 H HIS 11 H HIS 11 4.347 -15.922 12.789 66 HA HIS 11 HA HIS 11 4.316 -13.779 10.734 67 HB3 HIS 11 2HB HIS 11 4.852 -13.464 13.188 68 HD1 HIS 11 1HD HIS 11 8.192 -12.789 13.553 69 HD2 HIS 11 2HD HIS 11 5.979 -16.377 13.533 70 HE1 HIS 11 1HE HIS 11 9.589 -14.502 14.750 71 H GLU 12 H GLU 12 5.675 -16.833 11.348 72 HA GLU 12 HA GLU 12 7.767 -16.458 9.282 73 HB3 GLU 12 2HB GLU 12 8.449 -16.718 11.590 74 HG3 GLU 12 2HG GLU 12 6.688 -18.529 12.047 75 H ALA 13 H ALA 13 5.053 -18.308 10.408 76 HA ALA 13 HA ALA 13 5.295 -20.071 7.971 77 HB1 ALA 13 1HB ALA 13 5.247 -21.333 10.016 78 HB2 ALA 13 2HB ALA 13 3.693 -20.579 10.472 79 HB3 ALA 13 3HB ALA 13 3.798 -21.621 9.033 80 H LYS 14 H LYS 14 3.078 -17.682 9.454 81 HA LYS 14 HA LYS 14 0.846 -18.451 7.905 82 HB3 LYS 14 2HB LYS 14 1.478 -15.656 8.918 83 HG3 LYS 14 2HG LYS 14 -0.993 -16.972 7.943 84 HD3 LYS 14 2HD LYS 14 -1.709 -16.782 10.212 85 HE3 LYS 14 2HE LYS 14 -0.817 -13.870 10.145 86 HZ1 LYS 14 3HZ LYS 14 -2.096 -15.422 12.348 87 HZ2 LYS 14 1HZ LYS 14 -2.696 -14.102 11.519 88 HZ3 LYS 14 2HZ LYS 14 -1.420 -13.954 12.495 89 H PHE 15 H PHE 15 3.182 -15.785 7.372 90 HA PHE 15 HA PHE 15 1.835 -15.018 4.921 91 HB3 PHE 15 2HB PHE 15 3.831 -13.328 5.006 92 HD1 PHE 15 2HD PHE 15 2.261 -13.578 8.379 93 HD2 PHE 15 1HD PHE 15 1.962 -11.894 4.418 94 HE1 PHE 15 2HE PHE 15 0.471 -12.064 9.145 95 HE2 PHE 15 1HE PHE 15 0.233 -10.381 5.179 96 HZ PHE 15 HZ PHE 15 -0.547 -10.441 7.576 97 H ALA 16 H ALA 16 4.977 -16.393 5.810 98 HA ALA 16 HA ALA 16 6.163 -16.293 3.247 99 HB1 ALA 16 1HB ALA 16 7.356 -16.583 5.441 100 HB2 ALA 16 2HB ALA 16 6.717 -18.258 5.482 101 HB3 ALA 16 3HB ALA 16 7.840 -17.767 4.211 102 H HIS 17 H HIS 17 3.602 -18.350 4.202 103 HA HIS 17 HA HIS 17 4.251 -20.461 2.236 104 HB3 HIS 17 2HB HIS 17 1.904 -21.197 3.013 105 HD1 HIS 17 1HD HIS 17 2.666 -23.552 3.554 106 HD2 HIS 17 2HD HIS 17 4.788 -20.560 5.639 107 HE1 HIS 17 1HE HIS 17 4.248 -24.752 5.137 108 H ASP 18 H ASP 18 3.581 -17.395 1.891 109 HA ASP 18 HA ASP 18 2.563 -16.018 0.537 110 HB3 ASP 18 2HB ASP 18 1.996 -16.700 -1.771 111 H ALA 19 H ALA 19 0.225 -16.731 -1.248 112 HA ALA 19 HA ALA 19 -1.853 -16.022 -1.098 113 HB1 ALA 19 1HB ALA 19 -2.081 -18.461 0.699 114 HB2 ALA 19 2HB ALA 19 -3.339 -17.779 -0.338 115 HB3 ALA 19 3HB ALA 19 -1.913 -18.500 -1.074 116 H GLU 20 H GLU 20 -0.201 -15.079 1.407 117 HA GLU 20 HA GLU 20 -2.578 -13.808 2.709 118 HB3 GLU 20 2HB GLU 20 -0.007 -14.655 4.061 119 HG3 GLU 20 2HG GLU 20 -1.662 -12.732 5.018 120 H LEU 21 H LEU 21 1.081 -13.449 2.091 121 HA LEU 21 HA LEU 21 1.179 -10.772 2.736 122 HB3 LEU 21 2HB LEU 21 3.156 -10.679 1.499 123 HG LEU 21 HG LEU 21 2.996 -13.255 2.820 124 HD11 LEU 21 1HD1 LEU 21 3.586 -14.057 0.509 125 HD12 LEU 21 2HD1 LEU 21 4.889 -14.322 1.676 126 HD13 LEU 21 3HD1 LEU 21 4.992 -12.973 0.541 127 HD21 LEU 21 3HD2 LEU 21 5.294 -11.292 2.304 128 HD22 LEU 21 1HD2 LEU 21 5.379 -12.671 3.398 129 HD23 LEU 21 2HD2 LEU 21 4.274 -11.337 3.750 130 H ASN 22 H ASN 22 0.434 -12.267 -0.374 131 HA ASN 22 HA ASN 22 0.418 -10.008 -1.989 132 HB3 ASN 22 2HB ASN 22 -1.217 -11.315 -3.430 133 HD21 ASN 22 1HD2 ASN 22 -0.196 -14.203 -3.297 134 HD22 ASN 22 2HD2 ASN 22 1.481 -14.130 -3.801 135 H PHE 23 H PHE 23 -1.897 -10.782 0.521 136 HA PHE 23 HA PHE 23 -4.076 -9.293 -0.765 137 HB3 PHE 23 2HB PHE 23 -5.295 -10.118 1.283 138 HD1 PHE 23 1HD PHE 23 -2.875 -12.812 0.240 139 HD2 PHE 23 2HD PHE 23 -6.746 -11.023 -0.419 140 HE1 PHE 23 1HE PHE 23 -3.484 -14.635 -1.337 141 HE2 PHE 23 2HE PHE 23 -7.352 -12.860 -1.924 142 HZ PHE 23 HZ PHE 23 -5.694 -14.683 -2.394 143 H LYS 24 H LYS 24 -2.608 -9.412 2.459 144 HA LYS 24 HA LYS 24 -3.526 -6.933 3.436 145 HB3 LYS 24 2HB LYS 24 -1.868 -7.154 5.145 146 HG3 LYS 24 2HG LYS 24 -1.675 -9.500 5.759 147 HD3 LYS 24 2HD LYS 24 -4.396 -8.869 4.603 148 HE3 LYS 24 2HE LYS 24 -3.790 -10.701 6.927 149 HZ1 LYS 24 3HZ LYS 24 -5.658 -11.882 6.151 150 HZ2 LYS 24 1HZ LYS 24 -5.660 -11.197 4.696 151 HZ3 LYS 24 2HZ LYS 24 -6.111 -10.300 6.010 152 H ALA 25 H ALA 25 -0.519 -7.687 1.658 153 HA ALA 25 HA ALA 25 0.403 -4.969 1.819 154 HB1 ALA 25 1HB ALA 25 1.455 -7.240 0.152 155 HB2 ALA 25 2HB ALA 25 2.309 -5.774 0.631 156 HB3 ALA 25 3HB ALA 25 1.868 -6.983 1.878 157 H GLU 26 H GLU 26 -2.215 -5.876 0.000 158 HA GLU 26 HA GLU 26 -1.367 -3.924 -2.084 159 HB3 GLU 26 2HB GLU 26 -3.669 -4.133 -2.911 160 HG3 GLU 26 2HG GLU 26 -3.401 -6.525 -3.791 161 H ALA 27 H ALA 27 -3.748 -4.344 0.583 162 HA ALA 27 HA ALA 27 -4.911 -1.797 0.367 163 HB1 ALA 27 1HB ALA 27 -5.851 -3.661 1.691 164 HB2 ALA 27 2HB ALA 27 -4.531 -3.511 2.880 165 HB3 ALA 27 3HB ALA 27 -5.717 -2.198 2.681 166 H ARG 28 H ARG 28 -1.785 -2.499 1.848 167 HA ARG 28 HA ARG 28 -1.668 0.173 3.112 168 HB3 ARG 28 2HB ARG 28 0.927 -0.697 3.001 169 HG3 ARG 28 2HG ARG 28 -0.709 -1.821 5.247 170 HD3 ARG 28 2HD ARG 28 1.602 0.129 4.941 171 HE ARG 28 HE ARG 28 0.022 -0.178 7.240 172 HH11 ARG 28 1HH1 ARG 28 3.521 -0.678 6.472 173 HH12 ARG 28 2HH1 ARG 28 3.860 -0.834 8.186 174 HH21 ARG 28 1HH2 ARG 28 0.748 0.152 9.375 175 HH22 ARG 28 2HH2 ARG 28 2.387 -0.221 9.787 176 H ARG 29 H ARG 29 -0.654 -1.175 -0.029 177 HA ARG 29 HA ARG 29 1.293 0.799 -0.525 178 HB3 ARG 29 2HB ARG 29 1.372 -1.140 -1.920 179 HG3 ARG 29 2HG ARG 29 -1.454 -0.528 -2.555 180 HD3 ARG 29 2HD ARG 29 0.192 -1.683 -4.794 181 HE ARG 29 HE ARG 29 -1.959 -2.518 -4.877 182 HH11 ARG 29 1HH1 ARG 29 -2.059 1.030 -4.800 183 HH12 ARG 29 2HH1 ARG 29 -3.776 1.145 -4.774 184 HH21 ARG 29 1HH2 ARG 29 -4.331 -2.351 -5.076 185 HH22 ARG 29 2HH2 ARG 29 -5.106 -0.817 -5.023 186 H ASN 30 H ASN 30 -2.193 0.807 -1.123 187 HA ASN 30 HA ASN 30 -2.479 3.179 -2.651 188 HB3 ASN 30 2HB ASN 30 -4.657 3.309 -1.054 189 HD21 ASN 30 1HD2 ASN 30 -6.047 0.706 -1.584 190 HD22 ASN 30 2HD2 ASN 30 -6.257 0.603 -3.310 191 H ARG 31 H ARG 31 -2.444 2.739 0.902 192 HA ARG 31 HA ARG 31 -2.600 5.480 1.564 193 HB3 ARG 31 2HB ARG 31 -1.140 3.460 3.326 194 HG3 ARG 31 2HG ARG 31 -2.783 4.502 5.006 195 HD3 ARG 31 2HD ARG 31 -0.528 6.064 3.769 196 HE ARG 31 HE ARG 31 -2.653 7.482 4.502 197 HH11 ARG 31 1HH1 ARG 31 0.662 7.330 5.807 198 HH12 ARG 31 2HH1 ARG 31 0.367 8.494 7.044 199 HH21 ARG 31 1HH2 ARG 31 -2.940 9.191 6.036 200 HH22 ARG 31 2HH2 ARG 31 -1.662 9.602 7.149 201 H LEU 32 H LEU 32 0.293 3.335 1.449 202 HA LEU 32 HA LEU 32 2.287 5.221 2.017 203 HB3 LEU 32 2HB LEU 32 3.612 3.647 0.306 204 HG LEU 32 HG LEU 32 4.203 3.445 2.584 205 HD11 LEU 32 1HD1 LEU 32 2.014 3.497 3.716 206 HD12 LEU 32 2HD1 LEU 32 3.027 2.140 4.239 207 HD13 LEU 32 3HD1 LEU 32 1.673 1.857 3.124 208 HD21 LEU 32 3HD2 LEU 32 3.452 0.897 1.119 209 HD22 LEU 32 1HD2 LEU 32 4.124 0.785 2.742 210 HD23 LEU 32 2HD2 LEU 32 5.050 1.571 1.494 211 H LEU 33 H LEU 33 0.655 4.643 -1.181 212 HA LEU 33 HA LEU 33 2.394 6.405 -2.611 213 HB3 LEU 33 2HB LEU 33 0.154 6.096 -4.107 214 HG LEU 33 HG LEU 33 2.292 4.057 -3.530 215 HD11 LEU 33 1HD1 LEU 33 0.403 2.813 -4.439 216 HD12 LEU 33 2HD1 LEU 33 1.779 2.902 -5.573 217 HD13 LEU 33 3HD1 LEU 33 0.374 3.934 -5.818 218 HD21 LEU 33 3HD2 LEU 33 3.188 6.013 -4.626 219 HD22 LEU 33 1HD2 LEU 33 1.816 6.027 -5.777 220 HD23 LEU 33 2HD2 LEU 33 3.051 4.760 -5.874 221 H GLY 34 H GLY 34 -0.769 6.696 -0.952 222 HA2 GLY 34 1HA GLY 34 -1.575 9.240 -1.864 223 HA3 GLY 34 2HA GLY 34 -2.004 8.463 -0.334 224 H GLU 35 H GLU 35 0.315 8.334 1.074 225 HA GLU 35 HA GLU 35 0.646 11.094 1.849 226 HB3 GLU 35 2HB GLU 35 0.735 9.701 3.696 227 HG3 GLU 35 2HG GLU 35 2.338 7.850 1.936 228 H TRP 36 H TRP 36 2.500 9.098 -0.378 229 HA TRP 36 HA TRP 36 4.746 10.963 -0.570 230 HB3 TRP 36 2HB TRP 36 3.597 8.778 -2.307 231 HD1 TRP 36 HD TRP 36 6.680 11.131 -2.613 232 HE1 TRP 36 1HE TRP 36 7.225 11.386 -5.142 233 HE3 TRP 36 3HE TRP 36 2.889 8.261 -4.646 234 HZ2 TRP 36 2HZ TRP 36 6.064 10.601 -7.660 235 HZ3 TRP 36 3HZ TRP 36 2.973 7.695 -6.977 236 HH2 TRP 36 HH TRP 36 4.368 9.111 -8.581 237 H ALA 37 H ALA 37 1.834 10.356 -2.600 238 HA ALA 37 HA ALA 37 2.173 12.522 -4.286 239 HB1 ALA 37 1HB ALA 37 -0.304 10.977 -3.472 240 HB2 ALA 37 2HB ALA 37 -0.277 12.130 -4.814 241 HB3 ALA 37 3HB ALA 37 0.749 10.679 -4.870 242 H ALA 38 H ALA 38 0.340 12.523 -1.197 243 HA ALA 38 HA ALA 38 -0.893 14.973 -1.298 244 HB1 ALA 38 1HB ALA 38 -0.572 15.034 1.158 245 HB2 ALA 38 2HB ALA 38 -1.051 13.419 0.601 246 HB3 ALA 38 3HB ALA 38 0.643 13.743 1.037 247 H GLY 39 H GLY 39 2.569 14.399 -0.531 248 HA2 GLY 39 1HA GLY 39 3.170 17.178 -0.044 249 HA3 GLY 39 2HA GLY 39 4.321 15.860 -0.205 250 H LEU 40 H LEU 40 2.613 15.514 -2.946 251 HA LEU 40 HA LEU 40 4.452 17.146 -4.599 252 HB3 LEU 40 2HB LEU 40 3.673 15.730 -6.420 253 HG LEU 40 HG LEU 40 4.111 13.977 -3.996 254 HD11 LEU 40 1HD1 LEU 40 3.004 13.058 -6.206 255 HD12 LEU 40 2HD1 LEU 40 4.292 12.205 -5.403 256 HD13 LEU 40 3HD1 LEU 40 4.648 13.169 -6.858 257 HD21 LEU 40 3HD2 LEU 40 6.064 15.426 -4.393 258 HD22 LEU 40 1HD2 LEU 40 6.056 14.986 -6.112 259 HD23 LEU 40 2HD2 LEU 40 6.429 13.761 -4.882 260 H LEU 41 H LEU 41 0.969 16.532 -4.022 261 HA LEU 41 HA LEU 41 -0.055 18.509 -5.853 262 HB3 LEU 41 2HB LEU 41 -2.046 18.510 -4.247 263 HG LEU 41 HG LEU 41 -2.918 16.432 -4.840 264 HD11 LEU 41 1HD1 LEU 41 -1.250 17.245 -7.236 265 HD12 LEU 41 2HD1 LEU 41 -2.734 18.069 -6.690 266 HD13 LEU 41 3HD1 LEU 41 -2.810 16.392 -7.216 267 HD21 LEU 41 3HD2 LEU 41 -1.248 14.913 -4.257 268 HD22 LEU 41 1HD2 LEU 41 -0.200 15.471 -5.589 269 HD23 LEU 41 2HD2 LEU 41 -1.732 14.637 -5.927 270 H GLY 42 H GLY 42 1.002 18.590 -2.540 271 HA2 GLY 42 1HA GLY 42 2.398 20.547 -1.967 272 HA3 GLY 42 2HA GLY 42 1.181 21.605 -2.682 273 H LYS 43 H LYS 43 0.380 18.811 -0.649 274 HA LYS 43 HA LYS 43 -1.159 20.575 0.982 275 HB3 LYS 43 2HB LYS 43 -1.817 18.467 2.154 276 HG3 LYS 43 2HG LYS 43 -2.648 17.052 0.371 277 HD3 LYS 43 2HD LYS 43 -2.810 19.967 -0.533 278 HE3 LYS 43 2HE LYS 43 -4.513 17.497 -1.092 279 HZ1 LYS 43 3HZ LYS 43 -5.845 19.450 -1.120 280 HZ2 LYS 43 1HZ LYS 43 -5.561 18.944 -2.664 281 HZ3 LYS 43 2HZ LYS 43 -4.775 20.258 -2.118 282 H THR 44 H THR 44 -1.121 20.452 3.463 283 HA THR 44 HA THR 44 1.536 19.883 4.622 284 HB THR 44 HB THR 44 1.310 22.103 5.872 285 HG1 THR 44 1HG THR 44 -0.963 22.306 5.011 286 HG21 THR 44 3HG2 THR 44 2.952 21.865 4.034 287 HG22 THR 44 1HG2 THR 44 2.298 23.502 4.144 288 HG23 THR 44 2HG2 THR 44 1.729 22.419 2.870 289 H GLY 45 H GLY 45 1.413 19.329 6.870 290 HA2 GLY 45 1HA GLY 45 0.606 19.205 8.973 291 HA3 GLY 45 2HA GLY 45 -0.706 20.301 8.501 292 H ASP 46 H ASP 46 -2.696 19.466 8.051 293 HA ASP 46 HA ASP 46 -3.013 16.537 8.352 294 HB3 ASP 46 2HB ASP 46 -3.880 17.546 10.289 295 H ASP 47 H ASP 47 -3.712 19.233 6.325 296 HA ASP 47 HA ASP 47 -5.661 18.180 4.548 297 HB3 ASP 47 2HB ASP 47 -3.629 19.352 2.942 298 H ALA 48 H ALA 48 -2.233 17.491 4.962 299 HA ALA 48 HA ALA 48 -1.955 15.945 2.539 300 HB1 ALA 48 1HB ALA 48 -0.260 16.053 5.078 301 HB2 ALA 48 2HB ALA 48 0.247 15.317 3.538 302 HB3 ALA 48 3HB ALA 48 -0.015 17.071 3.640 303 H ARG 49 H ARG 49 -2.807 15.336 5.893 304 HA ARG 49 HA ARG 49 -2.562 12.441 5.700 305 HB3 ARG 49 2HB ARG 49 -3.811 12.427 7.858 306 HG3 ARG 49 2HG ARG 49 -1.624 14.554 7.942 307 HD3 ARG 49 2HD ARG 49 -2.853 14.126 10.055 308 HE ARG 49 HE ARG 49 -2.164 11.323 9.507 309 HH11 ARG 49 1HH1 ARG 49 -2.887 13.625 12.109 310 HH12 ARG 49 2HH1 ARG 49 -3.418 12.402 13.223 311 HH21 ARG 49 1HH2 ARG 49 -3.229 9.731 10.925 312 HH22 ARG 49 2HH2 ARG 49 -3.790 10.237 12.473 313 H ALA 50 H ALA 50 -5.233 14.822 5.513 314 HA ALA 50 HA ALA 50 -7.353 13.068 5.055 315 HB1 ALA 50 1HB ALA 50 -8.432 14.912 3.883 316 HB2 ALA 50 2HB ALA 50 -7.584 15.534 5.306 317 HB3 ALA 50 3HB ALA 50 -6.889 15.769 3.697 318 H TYR 51 H TYR 51 -5.318 14.654 2.511 319 HA TYR 51 HA TYR 51 -6.249 13.302 0.298 320 HB3 TYR 51 2HB TYR 51 -3.386 14.126 0.893 321 HD1 TYR 51 2HD TYR 51 -2.731 12.096 -0.615 322 HD2 TYR 51 1HD TYR 51 -5.087 15.446 -2.024 323 HE1 TYR 51 2HE TYR 51 -2.344 11.397 -2.933 324 HE2 TYR 51 1HE TYR 51 -4.540 14.835 -4.369 325 HH TYR 51 HH TYR 51 -3.440 11.798 -5.305 326 H ALA 52 H ALA 52 -3.539 12.216 2.405 327 HA ALA 52 HA ALA 52 -3.149 9.701 1.070 328 HB1 ALA 52 1HB ALA 52 -1.450 11.059 2.464 329 HB2 ALA 52 2HB ALA 52 -2.349 10.526 3.912 330 HB3 ALA 52 3HB ALA 52 -1.518 9.330 2.869 331 H LEU 53 H LEU 53 -5.774 10.497 2.903 332 HA LEU 53 HA LEU 53 -6.250 7.643 3.624 333 HB3 LEU 53 2HB LEU 53 -7.505 8.544 5.618 334 HG LEU 53 HG LEU 53 -4.532 9.174 5.452 335 HD11 LEU 53 1HD1 LEU 53 -5.465 10.647 7.110 336 HD12 LEU 53 2HD1 LEU 53 -4.457 9.403 7.857 337 HD13 LEU 53 3HD1 LEU 53 -6.238 9.276 7.939 338 HD21 LEU 53 3HD2 LEU 53 -4.308 7.157 6.880 339 HD22 LEU 53 1HD2 LEU 53 -5.055 6.791 5.316 340 HD23 LEU 53 2HD2 LEU 53 -6.060 6.913 6.769 341 H THR 54 H THR 54 -6.936 8.429 1.091 342 HA THR 54 HA THR 54 -9.837 9.093 1.285 343 HB THR 54 HB THR 54 -9.550 9.686 -1.171 344 HG1 THR 54 1HG THR 54 -6.878 10.283 -0.491 345 HG21 THR 54 3HG2 THR 54 -8.730 12.022 -0.679 346 HG22 THR 54 1HG2 THR 54 -8.323 11.477 0.944 347 HG23 THR 54 2HG2 THR 54 -10.005 11.440 0.414 348 H VAL 55 H VAL 55 -7.331 7.482 -0.717 349 HA VAL 55 HA VAL 55 -9.360 5.535 -1.532 350 HB VAL 55 HB VAL 55 -7.749 4.886 -3.161 351 HG11 VAL 55 1HG1 VAL 55 -8.059 7.914 -3.206 352 HG12 VAL 55 2HG1 VAL 55 -8.087 6.769 -4.580 353 HG13 VAL 55 3HG1 VAL 55 -9.411 6.803 -3.423 354 HG21 VAL 55 3HG2 VAL 55 -5.605 5.415 -2.058 355 HG22 VAL 55 1HG2 VAL 55 -5.729 6.138 -3.673 356 HG23 VAL 55 2HG2 VAL 55 -5.975 7.159 -2.226 357 H VAL 56 H VAL 56 -9.090 5.001 1.004 358 HA VAL 56 HA VAL 56 -7.961 2.403 1.125 359 HB VAL 56 HB VAL 56 -5.855 3.503 1.272 360 HG11 VAL 56 1HG1 VAL 56 -6.581 4.917 3.847 361 HG12 VAL 56 2HG1 VAL 56 -5.132 5.068 2.844 362 HG13 VAL 56 3HG1 VAL 56 -6.659 5.702 2.264 363 HG21 VAL 56 3HG2 VAL 56 -6.144 1.446 2.519 364 HG22 VAL 56 1HG2 VAL 56 -4.969 2.514 3.303 365 HG23 VAL 56 2HG2 VAL 56 -6.606 2.357 3.976 366 H THR 57 H THR 57 -10.051 1.943 1.639 367 HA THR 57 HA THR 57 -10.344 1.738 4.461 368 HB THR 57 HB THR 57 -11.385 3.856 4.397 369 HG1 THR 57 1HG THR 57 -13.361 3.351 5.196 370 HG21 THR 57 3HG2 THR 57 -12.033 4.012 2.013 371 HG22 THR 57 1HG2 THR 57 -13.312 4.495 3.112 372 HG23 THR 57 2HG2 THR 57 -13.404 2.926 2.332 373 H SER 58 H SER 58 -12.456 1.462 1.523 374 HA SER 58 HA SER 58 -13.136 -1.253 2.352 375 HB3 SER 58 2HB SER 58 -15.104 -0.378 1.866 376 HG SER 58 HG SER 58 -15.477 1.404 0.562 377 H ASP 59 H ASP 59 -13.333 -2.901 0.847 378 HA ASP 59 HA ASP 59 -12.413 -4.539 -0.223 379 HB3 ASP 59 2HB ASP 59 -12.387 -2.671 -2.577 380 H PHE 60 H PHE 60 -10.603 -5.371 0.422 381 HA PHE 60 HA PHE 60 -8.044 -4.036 0.045 382 HB3 PHE 60 2HB PHE 60 -7.118 -5.962 1.197 383 HD1 PHE 60 2HD PHE 60 -8.490 -3.138 1.960 384 HD2 PHE 60 1HD PHE 60 -8.831 -7.190 3.458 385 HE1 PHE 60 2HE PHE 60 -9.213 -2.285 4.142 386 HE2 PHE 60 1HE PHE 60 -9.502 -6.293 5.669 387 HZ PHE 60 HZ PHE 60 -9.691 -3.841 6.023 388 H ASP 61 H ASP 61 -9.943 -6.167 -1.982 389 HA ASP 61 HA ASP 61 -7.471 -6.999 -3.479 390 HB3 ASP 61 2HB ASP 61 -8.811 -8.874 -4.388 391 H GLU 62 H GLU 62 -8.031 -4.633 -4.147 392 HA GLU 62 HA GLU 62 -10.101 -4.552 -6.257 393 HB3 GLU 62 2HB GLU 62 -10.079 -2.623 -4.977 394 HG3 GLU 62 2HG GLU 62 -7.063 -2.619 -5.185 395 HA PRO 63 HA PRO 63 -7.237 -5.746 -9.369 396 HB3 PRO 63 2HB PRO 63 -9.116 -5.979 -10.653 397 HG3 PRO 63 2HG PRO 63 -10.795 -4.267 -10.740 398 HD3 PRO 63 2HD PRO 63 -10.555 -4.860 -8.482 399 H GLY 64 H GLY 64 -5.636 -4.368 -8.204 400 HA2 GLY 64 1HA GLY 64 -5.085 -1.672 -9.125 401 HA3 GLY 64 2HA GLY 64 -4.223 -2.573 -7.873 402 H ASP 65 H ASP 65 -4.671 -2.777 -11.458 403 HA ASP 65 HA ASP 65 -1.704 -3.089 -11.721 404 HB3 ASP 65 2HB ASP 65 -2.285 -3.906 -14.071 405 H GLU 66 H GLU 66 -4.093 -2.000 -14.192 406 HA GLU 66 HA GLU 66 -2.280 0.276 -14.716 407 HB3 GLU 66 2HB GLU 66 -4.846 -0.406 -16.181 408 HG3 GLU 66 2HG GLU 66 -2.393 0.567 -17.593 409 H ASP 67 H ASP 67 -5.326 -0.370 -13.099 410 HA ASP 67 HA ASP 67 -6.694 1.880 -14.110 411 HB3 ASP 67 2HB ASP 67 -7.714 0.940 -11.493 412 H VAL 68 H VAL 68 -5.265 1.242 -11.056 413 HA VAL 68 HA VAL 68 -5.607 3.674 -9.692 414 HB VAL 68 HB VAL 68 -3.689 1.338 -9.505 415 HG11 VAL 68 1HG1 VAL 68 -2.784 3.265 -8.196 416 HG12 VAL 68 2HG1 VAL 68 -4.356 3.476 -7.394 417 HG13 VAL 68 3HG1 VAL 68 -3.382 2.017 -7.100 418 HG21 VAL 68 3HG2 VAL 68 -6.039 0.714 -9.249 419 HG22 VAL 68 1HG2 VAL 68 -5.266 0.656 -7.661 420 HG23 VAL 68 2HG2 VAL 68 -6.289 2.043 -8.106 421 H PHE 69 H PHE 69 -3.116 2.626 -12.042 422 HA PHE 69 HA PHE 69 -1.291 4.835 -11.549 423 HB3 PHE 69 2HB PHE 69 -1.698 2.846 -13.795 424 HD1 PHE 69 2HD PHE 69 -2.083 4.478 -15.690 425 HD2 PHE 69 1HD PHE 69 1.502 4.468 -13.278 426 HE1 PHE 69 2HE PHE 69 -0.951 5.915 -17.358 427 HE2 PHE 69 1HE PHE 69 2.626 5.876 -14.963 428 HZ PHE 69 HZ PHE 69 1.382 6.629 -17.007 429 H ARG 70 H ARG 70 -4.047 4.216 -13.806 430 HA ARG 70 HA ARG 70 -3.848 6.780 -15.045 431 HB3 ARG 70 2HB ARG 70 -6.467 5.270 -14.874 432 HG3 ARG 70 2HG ARG 70 -4.813 6.566 -17.062 433 HD3 ARG 70 2HD ARG 70 -7.565 5.378 -17.485 434 HE ARG 70 HE ARG 70 -6.812 6.891 -19.182 435 HH11 ARG 70 1HH1 ARG 70 -4.859 3.832 -19.185 436 HH12 ARG 70 2HH1 ARG 70 -4.164 4.215 -20.730 437 HH21 ARG 70 1HH2 ARG 70 -6.120 7.102 -21.255 438 HH22 ARG 70 2HH2 ARG 70 -4.881 6.130 -21.947 439 H LYS 71 H LYS 71 -5.518 5.687 -12.155 440 HA LYS 71 HA LYS 71 -7.013 8.038 -11.544 441 HB3 LYS 71 2HB LYS 71 -5.859 6.862 -9.139 442 HG3 LYS 71 2HG LYS 71 -8.243 7.816 -9.545 443 HD3 LYS 71 2HD LYS 71 -8.532 4.875 -10.367 444 HE3 LYS 71 2HE LYS 71 -10.687 6.944 -9.776 445 HZ1 LYS 71 3HZ LYS 71 -11.079 4.029 -9.891 446 HZ2 LYS 71 1HZ LYS 71 -11.033 4.894 -11.280 447 HZ3 LYS 71 2HZ LYS 71 -12.157 5.254 -10.130 448 H LEU 72 H LEU 72 -3.775 7.038 -10.325 449 HA LEU 72 HA LEU 72 -3.320 9.558 -9.037 450 HB3 LEU 72 2HB LEU 72 -0.858 8.581 -9.215 451 HG LEU 72 HG LEU 72 -1.350 6.816 -7.421 452 HD11 LEU 72 1HD1 LEU 72 -1.754 8.570 -5.678 453 HD12 LEU 72 2HD1 LEU 72 -1.918 9.736 -7.017 454 HD13 LEU 72 3HD1 LEU 72 -0.403 8.834 -6.763 455 HD21 LEU 72 3HD2 LEU 72 -3.479 6.960 -6.233 456 HD22 LEU 72 1HD2 LEU 72 -3.720 6.416 -7.901 457 HD23 LEU 72 2HD2 LEU 72 -4.109 8.087 -7.441 458 H ALA 73 H ALA 73 -2.517 8.452 -12.333 459 HA ALA 73 HA ALA 73 -0.807 10.628 -13.048 460 HB1 ALA 73 1HB ALA 73 -2.805 9.076 -14.765 461 HB2 ALA 73 2HB ALA 73 -1.464 10.074 -15.359 462 HB3 ALA 73 3HB ALA 73 -1.128 8.588 -14.447 463 H ALA 74 H ALA 74 -4.358 10.298 -12.923 464 HA ALA 74 HA ALA 74 -4.807 13.011 -13.935 465 HB1 ALA 74 1HB ALA 74 -7.152 12.441 -13.516 466 HB2 ALA 74 2HB ALA 74 -6.344 11.135 -14.389 467 HB3 ALA 74 3HB ALA 74 -6.685 10.988 -12.637 468 H ASP 75 H ASP 75 -3.217 12.428 -11.322 469 HA ASP 75 HA ASP 75 -4.514 14.602 -9.775 470 HB3 ASP 75 2HB ASP 75 -2.961 13.304 -7.891 471 H LEU 76 H LEU 76 -1.394 12.758 -10.137 472 HA LEU 76 HA LEU 76 0.130 15.169 -9.710 473 HB3 LEU 76 2HB LEU 76 2.048 13.673 -10.117 474 HG LEU 76 HG LEU 76 2.135 12.583 -8.263 475 HD11 LEU 76 1HD1 LEU 76 -0.415 14.121 -7.632 476 HD12 LEU 76 2HD1 LEU 76 1.224 14.784 -7.601 477 HD13 LEU 76 3HD1 LEU 76 0.755 13.507 -6.463 478 HD21 LEU 76 3HD2 LEU 76 0.697 11.031 -7.320 479 HD22 LEU 76 1HD2 LEU 76 0.611 10.837 -9.090 480 HD23 LEU 76 2HD2 LEU 76 -0.712 11.665 -8.229 481 H GLU 77 H GLU 77 -1.619 15.151 -12.180 482 HA GLU 77 HA GLU 77 0.171 15.222 -14.441 483 HB3 GLU 77 2HB GLU 77 -2.311 16.904 -13.945 484 HG3 GLU 77 2HG GLU 77 -1.216 15.950 -16.610 485 H GLY 78 H GLY 78 1.860 16.497 -14.590 486 HA2 GLY 78 1HA GLY 78 3.218 18.345 -14.507 487 HA3 GLY 78 2HA GLY 78 1.936 19.244 -13.685 488 H LYS 79 H LYS 79 2.491 16.376 -11.993 489 HA LYS 79 HA LYS 79 4.516 17.701 -10.224 490 HB3 LYS 79 2HB LYS 79 3.628 16.695 -8.324 491 HG3 LYS 79 2HG LYS 79 1.417 17.474 -7.957 492 HD3 LYS 79 2HD LYS 79 2.311 19.437 -10.038 493 HE3 LYS 79 2HE LYS 79 1.571 19.897 -7.137 494 HZ1 LYS 79 3HZ LYS 79 1.057 22.058 -7.865 495 HZ2 LYS 79 1HZ LYS 79 1.130 21.673 -9.447 496 HZ3 LYS 79 2HZ LYS 79 2.523 21.737 -8.541 497 H ALA 80 H ALA 80 3.367 14.509 -11.568 498 HA ALA 80 HA ALA 80 6.128 13.542 -11.434 499 HB1 ALA 80 1HB ALA 80 5.215 12.949 -9.197 500 HB2 ALA 80 2HB ALA 80 3.814 12.159 -9.980 501 HB3 ALA 80 3HB ALA 80 5.436 11.507 -10.196 502 H ASP 81 H ASP 81 6.430 12.511 -13.309 503 HA ASP 81 HA ASP 81 4.169 11.995 -15.112 504 HB3 ASP 81 2HB ASP 81 5.872 11.487 -16.799 505 H GLU 82 H GLU 82 4.813 9.924 -16.601 506 HA GLU 82 HA GLU 82 3.934 7.613 -15.385 507 HB3 GLU 82 2HB GLU 82 5.704 7.835 -17.874 508 HG3 GLU 82 2HG GLU 82 3.915 6.191 -18.732 509 H GLU 83 H GLU 83 7.256 8.588 -16.155 510 HA GLU 83 HA GLU 83 8.748 6.401 -15.282 511 HB3 GLU 83 2HB GLU 83 9.472 9.361 -15.154 512 HG3 GLU 83 2HG GLU 83 11.158 6.908 -15.801 513 H THR 84 H THR 84 6.924 8.495 -13.290 514 HA THR 84 HA THR 84 8.553 7.864 -10.876 515 HB THR 84 HB THR 84 6.674 10.197 -11.328 516 HG1 THR 84 1HG THR 84 9.482 10.212 -11.676 517 HG21 THR 84 3HG2 THR 84 7.355 9.522 -8.989 518 HG22 THR 84 1HG2 THR 84 7.796 11.184 -9.442 519 HG23 THR 84 2HG2 THR 84 9.026 9.900 -9.417 520 H ILE 85 H ILE 85 5.199 8.531 -11.975 521 HA ILE 85 HA ILE 85 3.783 7.407 -9.845 522 HB ILE 85 HB ILE 85 3.189 7.414 -12.811 523 HG13 ILE 85 2HG1 ILE 85 3.577 9.693 -11.614 524 HG21 ILE 85 1HG2 ILE 85 0.873 6.972 -12.396 525 HG22 ILE 85 2HG2 ILE 85 1.690 5.791 -11.365 526 HG23 ILE 85 3HG2 ILE 85 1.019 7.260 -10.663 527 HD11 ILE 85 3HD1 ILE 85 1.429 10.743 -12.360 528 HD12 ILE 85 1HD1 ILE 85 2.329 9.848 -13.601 529 HD13 ILE 85 2HD1 ILE 85 0.865 9.144 -12.858 530 H ARG 86 H ARG 86 4.710 5.665 -12.928 531 HA ARG 86 HA ARG 86 3.690 3.146 -11.928 532 HB3 ARG 86 2HB ARG 86 5.769 2.644 -13.829 533 HG3 ARG 86 2HG ARG 86 3.605 2.744 -15.444 534 HD3 ARG 86 2HD ARG 86 2.894 0.454 -14.356 535 HE ARG 86 HE ARG 86 5.153 1.051 -16.065 536 HH11 ARG 86 1HH1 ARG 86 3.702 -1.764 -14.410 537 HH12 ARG 86 2HH1 ARG 86 3.784 -2.796 -15.794 538 HH21 ARG 86 1HH2 ARG 86 5.175 -0.281 -17.870 539 HH22 ARG 86 2HH2 ARG 86 4.780 -1.957 -17.774 540 H ALA 87 H ALA 87 6.691 4.917 -11.658 541 HA ALA 87 HA ALA 87 8.340 2.700 -10.858 542 HB1 ALA 87 1HB ALA 87 9.439 4.702 -11.629 543 HB2 ALA 87 2HB ALA 87 8.711 5.674 -10.333 544 HB3 ALA 87 3HB ALA 87 9.884 4.434 -9.933 545 H LYS 88 H LYS 88 6.903 5.280 -8.822 546 HA LYS 88 HA LYS 88 7.528 4.096 -6.327 547 HB3 LYS 88 2HB LYS 88 5.647 5.453 -5.397 548 HG3 LYS 88 2HG LYS 88 6.513 7.662 -6.799 549 HD3 LYS 88 2HD LYS 88 7.989 6.135 -4.626 550 HE3 LYS 88 2HE LYS 88 8.327 8.973 -5.679 551 HZ1 LYS 88 3HZ LYS 88 8.931 7.840 -3.036 552 HZ2 LYS 88 1HZ LYS 88 8.276 9.293 -3.410 553 HZ3 LYS 88 2HZ LYS 88 9.877 9.046 -3.655 554 H MET 89 H MET 89 4.752 3.528 -8.484 555 HA MET 89 HA MET 89 3.377 1.898 -6.570 556 HB3 MET 89 2HB MET 89 3.024 2.161 -9.570 557 HG3 MET 89 2HG MET 89 1.304 1.070 -7.291 558 HE1 MET 89 3HE MET 89 -1.427 0.662 -7.428 559 HE2 MET 89 1HE MET 89 -1.979 0.136 -9.043 560 HE3 MET 89 2HE MET 89 -0.559 -0.609 -8.309 561 H VAL 90 H VAL 90 6.101 1.165 -8.658 562 HA VAL 90 HA VAL 90 5.964 -1.717 -8.062 563 HB VAL 90 HB VAL 90 8.122 0.049 -9.306 564 HG11 VAL 90 1HG1 VAL 90 8.082 -2.990 -8.882 565 HG12 VAL 90 2HG1 VAL 90 9.287 -2.095 -9.835 566 HG13 VAL 90 3HG1 VAL 90 9.174 -1.846 -8.100 567 HG21 VAL 90 3HG2 VAL 90 6.231 -0.337 -10.817 568 HG22 VAL 90 1HG2 VAL 90 7.654 -1.219 -11.357 569 HG23 VAL 90 2HG2 VAL 90 6.332 -2.081 -10.535 570 H GLU 91 H GLU 91 7.923 1.161 -7.150 571 HA GLU 91 HA GLU 91 9.675 -0.023 -5.393 572 HB3 GLU 91 2HB GLU 91 8.847 2.876 -5.133 573 HG3 GLU 91 2HG GLU 91 10.954 2.087 -4.012 574 H LEU 92 H LEU 92 6.556 0.019 -4.745 575 HA LEU 92 HA LEU 92 6.831 0.109 -1.793 576 HB3 LEU 92 2HB LEU 92 4.427 0.967 -1.885 577 HG LEU 92 HG LEU 92 6.573 2.743 -3.165 578 HD11 LEU 92 1HD1 LEU 92 4.429 3.638 -3.695 579 HD12 LEU 92 2HD1 LEU 92 5.178 4.641 -2.451 580 HD13 LEU 92 3HD1 LEU 92 3.889 3.500 -1.992 581 HD21 LEU 92 3HD2 LEU 92 5.603 2.567 -0.300 582 HD22 LEU 92 1HD2 LEU 92 6.788 3.729 -0.914 583 HD23 LEU 92 2HD2 LEU 92 7.188 2.010 -0.889 584 H ARG 93 H ARG 93 6.204 -1.787 -4.511 585 HA ARG 93 HA ARG 93 3.868 -3.207 -3.521 586 HB3 ARG 93 2HB ARG 93 5.519 -4.397 -5.721 587 HG3 ARG 93 2HG ARG 93 3.142 -5.080 -5.208 588 HD3 ARG 93 2HD ARG 93 2.632 -2.290 -5.214 589 HE ARG 93 HE ARG 93 2.574 -2.258 -7.633 590 HH11 ARG 93 1HH1 ARG 93 -0.348 -3.838 -6.093 591 HH12 ARG 93 2HH1 ARG 93 -1.214 -3.770 -7.592 592 HH21 ARG 93 1HH2 ARG 93 1.218 -2.340 -9.633 593 HH22 ARG 93 2HH2 ARG 93 -0.391 -2.908 -9.453 594 H ALA 94 H ALA 94 7.222 -4.240 -4.298 595 HA ALA 94 HA ALA 94 7.235 -6.599 -2.743 596 HB1 ALA 94 1HB ALA 94 9.524 -4.793 -3.647 597 HB2 ALA 94 2HB ALA 94 9.681 -6.483 -3.113 598 HB3 ALA 94 3HB ALA 94 8.799 -6.086 -4.615 599 H THR 95 H THR 95 8.236 -3.269 -1.955 600 HA THR 95 HA THR 95 9.325 -3.661 0.570 601 HB THR 95 HB THR 95 7.534 -1.316 -0.043 602 HG1 THR 95 1HG THR 95 10.118 -1.259 -1.115 603 HG21 THR 95 3HG2 THR 95 10.279 -1.510 1.211 604 HG22 THR 95 1HG2 THR 95 8.738 -1.241 2.053 605 HG23 THR 95 2HG2 THR 95 9.362 -0.008 0.933 606 H ALA 96 H ALA 96 5.891 -2.811 -0.326 607 HA ALA 96 HA ALA 96 5.072 -2.733 2.333 608 HB1 ALA 96 1HB ALA 96 2.847 -2.748 1.632 609 HB2 ALA 96 2HB ALA 96 3.764 -1.652 0.608 610 HB3 ALA 96 3HB ALA 96 3.294 -3.250 -0.031 611 H ARG 97 H ARG 97 5.633 -5.438 0.209 612 HA ARG 97 HA ARG 97 3.959 -7.364 1.565 613 HB3 ARG 97 2HB ARG 97 5.494 -8.952 0.125 614 HG3 ARG 97 2HG ARG 97 3.629 -6.833 -0.996 615 HD3 ARG 97 2HD ARG 97 4.530 -9.341 -2.455 616 HE ARG 97 HE ARG 97 2.113 -7.995 -2.608 617 HH11 ARG 97 1HH1 ARG 97 4.701 -8.303 -5.048 618 HH12 ARG 97 2HH1 ARG 97 3.614 -8.286 -6.365 619 HH21 ARG 97 1HH2 ARG 97 0.773 -7.827 -4.233 620 HH22 ARG 97 2HH2 ARG 97 1.205 -7.969 -5.911 621 H GLU 98 H GLU 98 7.322 -6.234 2.198 622 HA GLU 98 HA GLU 98 7.573 -8.264 4.305 623 HB3 GLU 98 2HB GLU 98 9.321 -6.333 4.990 624 HG3 GLU 98 2HG GLU 98 9.564 -8.833 3.771 625 H GLN 99 H GLN 99 6.873 -4.767 4.010 626 HA GLN 99 HA GLN 99 6.974 -3.921 6.518 627 HB3 GLN 99 2HB GLN 99 4.605 -2.694 5.654 628 HG3 GLN 99 2HG GLN 99 7.343 -1.894 4.644 629 HE21 GLN 99 1HE2 GLN 99 7.469 0.407 4.291 630 HE22 GLN 99 2HE2 GLN 99 6.060 1.361 3.898 631 H ILE 100 H ILE 100 4.074 -5.655 5.304 632 HA ILE 100 HA ILE 100 2.335 -5.256 7.475 633 HB ILE 100 HB ILE 100 2.851 -7.677 5.788 634 HG13 ILE 100 2HG1 ILE 100 1.099 -6.940 4.248 635 HG21 ILE 100 1HG2 ILE 100 1.448 -8.498 7.517 636 HG22 ILE 100 2HG2 ILE 100 0.404 -7.070 7.477 637 HG23 ILE 100 3HG2 ILE 100 0.383 -8.245 6.146 638 HD11 ILE 100 3HD1 ILE 100 0.040 -4.730 4.385 639 HD12 ILE 100 1HD1 ILE 100 -0.433 -5.709 5.778 640 HD13 ILE 100 2HD1 ILE 100 0.798 -4.435 5.971 641 H ILE 101 H ILE 101 5.244 -7.292 7.446 642 HA ILE 101 HA ILE 101 4.150 -9.210 9.406 643 HB ILE 101 HB ILE 101 6.859 -8.834 8.094 644 HG13 ILE 101 2HG1 ILE 101 5.526 -9.881 6.530 645 HG21 ILE 101 1HG2 ILE 101 7.660 -10.821 9.293 646 HG22 ILE 101 2HG2 ILE 101 7.342 -9.466 10.365 647 HG23 ILE 101 3HG2 ILE 101 6.179 -10.821 10.270 648 HD11 ILE 101 3HD1 ILE 101 7.254 -11.640 7.152 649 HD12 ILE 101 1HD1 ILE 101 5.992 -12.377 8.194 650 HD13 ILE 101 2HD1 ILE 101 5.749 -12.272 6.443 651 H SER 102 H SER 102 5.968 -6.358 9.132 652 HA SER 102 HA SER 102 6.997 -6.157 11.834 653 HB3 SER 102 2HB SER 102 7.020 -3.684 10.573 654 HG SER 102 HG SER 102 8.888 -4.792 11.400 655 H GLU 103 H GLU 103 3.853 -6.072 10.707 656 HA GLU 103 HA GLU 103 2.869 -4.103 12.724 657 HB3 GLU 103 2HB GLU 103 0.992 -3.764 11.287 658 HG3 GLU 103 2HG GLU 103 1.862 -3.266 9.006 659 H ILE 104 H ILE 104 3.127 -7.342 11.952 660 HA ILE 104 HA ILE 104 0.632 -8.411 13.075 661 HB ILE 104 HB ILE 104 3.404 -9.687 12.998 662 HG13 ILE 104 2HG1 ILE 104 2.415 -9.092 10.731 663 HG21 ILE 104 1HG2 ILE 104 1.882 -10.742 14.669 664 HG22 ILE 104 2HG2 ILE 104 0.658 -10.967 13.398 665 HG23 ILE 104 3HG2 ILE 104 2.207 -11.838 13.332 666 HD11 ILE 104 3HD1 ILE 104 2.904 -11.145 9.673 667 HD12 ILE 104 1HD1 ILE 104 3.950 -11.085 11.101 668 HD13 ILE 104 2HD1 ILE 104 2.478 -12.093 11.105 Start of MODEL 14 1 H1 MET 1 H MET 1 2.291 -15.823 25.395 2 HA MET 1 HA MET 1 2.703 -15.520 23.029 3 HB3 MET 1 2HB MET 1 0.720 -16.310 22.052 4 HG3 MET 1 2HG MET 1 -0.857 -14.122 23.445 5 HE1 MET 1 3HE MET 1 -3.570 -15.948 23.479 6 HE2 MET 1 1HE MET 1 -3.480 -14.181 23.294 7 HE3 MET 1 2HE MET 1 -4.413 -15.148 22.128 8 H THR 2 H THR 2 3.668 -13.587 22.595 9 HA THR 2 HA THR 2 2.373 -11.108 23.524 10 HB THR 2 HB THR 2 4.496 -10.207 24.371 11 HG1 THR 2 1HG THR 2 6.230 -11.344 24.647 12 HG21 THR 2 3HG2 THR 2 3.736 -12.718 25.923 13 HG22 THR 2 1HG2 THR 2 2.834 -11.190 25.957 14 HG23 THR 2 2HG2 THR 2 4.504 -11.247 26.552 15 H THR 3 H THR 3 5.466 -12.093 22.067 16 HA THR 3 HA THR 3 4.949 -10.979 19.431 17 HB THR 3 HB THR 3 5.148 -8.941 20.706 18 HG1 THR 3 1HG THR 3 6.482 -7.970 19.402 19 HG21 THR 3 3HG2 THR 3 6.408 -9.729 22.692 20 HG22 THR 3 1HG2 THR 3 7.123 -8.305 21.961 21 HG23 THR 3 2HG2 THR 3 7.869 -9.894 21.687 22 H PHE 4 H PHE 4 5.917 -13.541 20.781 23 HA PHE 4 HA PHE 4 8.270 -13.932 19.096 24 HB3 PHE 4 2HB PHE 4 8.320 -14.477 22.076 25 HD1 PHE 4 1HD PHE 4 10.439 -14.758 18.920 26 HD2 PHE 4 2HD PHE 4 9.494 -16.345 22.826 27 HE1 PHE 4 1HE PHE 4 11.935 -16.681 18.512 28 HE2 PHE 4 2HE PHE 4 10.929 -18.307 22.368 29 HZ PHE 4 HZ PHE 4 12.107 -18.506 20.183 30 H ASP 5 H ASP 5 6.991 -15.137 17.762 31 HA ASP 5 HA ASP 5 6.458 -17.846 18.698 32 HB3 ASP 5 2HB ASP 5 4.554 -16.601 16.701 33 H ASP 6 H ASP 6 6.123 -19.095 16.326 34 HA ASP 6 HA ASP 6 8.889 -18.633 15.347 35 HB3 ASP 6 2HB ASP 6 7.062 -21.011 14.877 36 H ARG 7 H ARG 7 9.471 -18.608 13.028 37 HA ARG 7 HA ARG 7 7.303 -17.229 11.571 38 HB3 ARG 7 2HB ARG 7 9.024 -15.972 10.467 39 HG3 ARG 7 2HG ARG 7 9.973 -14.692 12.316 40 HD3 ARG 7 2HD ARG 7 7.218 -15.639 13.131 41 HE ARG 7 HE ARG 7 7.392 -13.979 14.591 42 HH11 ARG 7 1HH1 ARG 7 8.688 -12.682 11.503 43 HH12 ARG 7 2HH1 ARG 7 8.885 -11.090 12.140 44 HH21 ARG 7 1HH2 ARG 7 7.316 -11.765 15.252 45 HH22 ARG 7 2HH2 ARG 7 7.925 -10.536 14.214 46 H GLU 8 H GLU 8 8.081 -20.324 11.364 47 HA GLU 8 HA GLU 8 8.159 -20.551 8.408 48 HB3 GLU 8 2HB GLU 8 7.502 -22.717 10.400 49 HG3 GLU 8 2HG GLU 8 7.240 -23.088 7.885 50 H ARG 9 H ARG 9 6.286 -20.300 7.231 51 HA ARG 9 HA ARG 9 4.036 -20.241 6.628 52 HB3 ARG 9 2HB ARG 9 3.105 -22.697 7.153 53 HG3 ARG 9 2HG ARG 9 5.124 -21.646 5.247 54 HD3 ARG 9 2HD ARG 9 5.110 -24.534 6.082 55 HE ARG 9 HE ARG 9 5.907 -23.839 3.338 56 HH11 ARG 9 1HH1 ARG 9 3.577 -25.555 5.409 57 HH12 ARG 9 2HH1 ARG 9 2.920 -26.487 4.090 58 HH21 ARG 9 1HH2 ARG 9 4.946 -25.086 1.594 59 HH22 ARG 9 2HH2 ARG 9 3.654 -26.160 1.936 60 H ALA 10 H ALA 10 4.261 -18.922 9.074 61 HA ALA 10 HA ALA 10 1.399 -18.949 9.572 62 HB1 ALA 10 1HB ALA 10 3.232 -18.779 11.966 63 HB2 ALA 10 2HB ALA 10 1.477 -18.772 11.926 64 HB3 ALA 10 3HB ALA 10 2.342 -20.249 11.469 65 H HIS 11 H HIS 11 4.253 -17.205 8.819 66 HA HIS 11 HA HIS 11 2.756 -14.707 9.291 67 HB3 HIS 11 2HB HIS 11 5.086 -13.691 9.675 68 HD1 HIS 11 1HD HIS 11 3.151 -12.854 11.580 69 HD2 HIS 11 2HD HIS 11 5.309 -16.382 12.292 70 HE1 HIS 11 1HE HIS 11 3.086 -13.228 14.084 71 H GLU 12 H GLU 12 4.266 -16.453 6.729 72 HA GLU 12 HA GLU 12 3.406 -14.133 5.154 73 HB3 GLU 12 2HB GLU 12 5.928 -15.760 5.047 74 HG3 GLU 12 2HG GLU 12 4.244 -14.801 2.805 75 H ALA 13 H ALA 13 3.211 -17.704 5.738 76 HA ALA 13 HA ALA 13 1.401 -18.052 3.507 77 HB1 ALA 13 1HB ALA 13 1.801 -19.738 6.018 78 HB2 ALA 13 2HB ALA 13 0.950 -20.227 4.547 79 HB3 ALA 13 3HB ALA 13 2.699 -19.922 4.485 80 H LYS 14 H LYS 14 0.989 -17.616 7.055 81 HA LYS 14 HA LYS 14 -1.619 -18.293 7.278 82 HB3 LYS 14 2HB LYS 14 -0.455 -15.919 8.803 83 HG3 LYS 14 2HG LYS 14 -2.360 -18.178 9.582 84 HD3 LYS 14 2HD LYS 14 -1.230 -15.866 11.238 85 HE3 LYS 14 2HE LYS 14 -2.305 -17.075 13.127 86 HZ1 LYS 14 3HZ LYS 14 -4.465 -16.265 12.758 87 HZ2 LYS 14 1HZ LYS 14 -4.337 -16.335 11.119 88 HZ3 LYS 14 2HZ LYS 14 -3.453 -15.229 12.028 89 H PHE 15 H PHE 15 -0.588 -14.935 6.560 90 HA PHE 15 HA PHE 15 -3.358 -14.069 6.331 91 HB3 PHE 15 2HB PHE 15 -2.093 -11.881 5.760 92 HD1 PHE 15 1HD PHE 15 -3.966 -11.456 7.461 93 HD2 PHE 15 2HD PHE 15 0.114 -12.692 8.522 94 HE1 PHE 15 1HE PHE 15 -4.192 -10.449 9.700 95 HE2 PHE 15 2HE PHE 15 -0.190 -11.614 10.701 96 HZ PHE 15 HZ PHE 15 -2.312 -10.484 11.305 97 H ALA 16 H ALA 16 -1.435 -15.648 4.158 98 HA ALA 16 HA ALA 16 -1.972 -13.884 1.831 99 HB1 ALA 16 1HB ALA 16 0.305 -14.619 2.210 100 HB2 ALA 16 2HB ALA 16 -0.195 -16.332 2.146 101 HB3 ALA 16 3HB ALA 16 -0.309 -15.306 0.702 102 H HIS 17 H HIS 17 -4.101 -15.702 3.172 103 HA HIS 17 HA HIS 17 -5.009 -17.301 0.866 104 HB3 HIS 17 2HB HIS 17 -5.061 -19.263 2.597 105 HD1 HIS 17 1HD HIS 17 -4.430 -20.042 0.113 106 HD2 HIS 17 2HD HIS 17 -1.294 -18.788 2.637 107 HE1 HIS 17 1HE HIS 17 -2.260 -20.986 -0.867 108 H ASP 18 H ASP 18 -6.530 -15.236 1.417 109 HA ASP 18 HA ASP 18 -8.883 -16.067 2.837 110 HB3 ASP 18 2HB ASP 18 -7.611 -13.716 3.990 111 H ALA 19 H ALA 19 -10.416 -14.009 2.920 112 HA ALA 19 HA ALA 19 -9.963 -12.172 0.643 113 HB1 ALA 19 1HB ALA 19 -12.260 -12.919 0.954 114 HB2 ALA 19 2HB ALA 19 -12.223 -12.525 2.689 115 HB3 ALA 19 3HB ALA 19 -12.164 -11.228 1.487 116 H GLU 20 H GLU 20 -10.425 -12.166 4.173 117 HA GLU 20 HA GLU 20 -10.161 -9.280 4.413 118 HB3 GLU 20 2HB GLU 20 -10.351 -11.487 6.505 119 HG3 GLU 20 2HG GLU 20 -11.108 -8.539 6.745 120 H LEU 21 H LEU 21 -8.215 -12.124 5.579 121 HA LEU 21 HA LEU 21 -6.142 -10.657 6.695 122 HB3 LEU 21 2HB LEU 21 -4.988 -12.935 6.184 123 HG LEU 21 HG LEU 21 -6.235 -12.061 8.374 124 HD11 LEU 21 1HD1 LEU 21 -8.010 -13.620 9.099 125 HD12 LEU 21 2HD1 LEU 21 -8.032 -14.387 7.495 126 HD13 LEU 21 3HD1 LEU 21 -8.534 -12.694 7.700 127 HD21 LEU 21 3HD2 LEU 21 -4.408 -13.655 8.229 128 HD22 LEU 21 1HD2 LEU 21 -5.543 -14.969 7.863 129 HD23 LEU 21 2HD2 LEU 21 -5.600 -14.137 9.446 130 H ASN 22 H ASN 22 -6.834 -11.046 3.338 131 HA ASN 22 HA ASN 22 -4.041 -10.345 2.605 132 HB3 ASN 22 2HB ASN 22 -5.122 -10.048 0.307 133 HD21 ASN 22 1HD2 ASN 22 -6.383 -13.127 0.920 134 HD22 ASN 22 2HD2 ASN 22 -4.959 -14.068 0.655 135 H PHE 23 H PHE 23 -7.244 -8.895 3.072 136 HA PHE 23 HA PHE 23 -6.703 -6.397 1.801 137 HB3 PHE 23 2HB PHE 23 -8.673 -5.912 3.703 138 HD1 PHE 23 1HD PHE 23 -8.487 -8.211 0.698 139 HD2 PHE 23 2HD PHE 23 -10.105 -4.570 2.380 140 HE1 PHE 23 1HE PHE 23 -9.633 -7.701 -1.444 141 HE2 PHE 23 2HE PHE 23 -11.264 -4.109 0.247 142 HZ PHE 23 HZ PHE 23 -11.004 -5.665 -1.673 143 H LYS 24 H LYS 24 -6.117 -7.501 5.120 144 HA LYS 24 HA LYS 24 -5.365 -5.047 6.301 145 HB3 LYS 24 2HB LYS 24 -5.699 -7.140 7.404 146 HG3 LYS 24 2HG LYS 24 -4.247 -8.493 5.889 147 HD3 LYS 24 2HD LYS 24 -2.183 -8.697 7.957 148 HE3 LYS 24 2HE LYS 24 -1.270 -7.759 5.371 149 HZ1 LYS 24 3HZ LYS 24 0.110 -9.437 6.211 150 HZ2 LYS 24 1HZ LYS 24 -0.787 -10.233 5.092 151 HZ3 LYS 24 2HZ LYS 24 -1.172 -10.379 6.675 152 H ALA 25 H ALA 25 -3.503 -7.100 4.242 153 HA ALA 25 HA ALA 25 -1.033 -5.531 4.378 154 HB1 ALA 25 1HB ALA 25 -1.032 -7.905 3.436 155 HB2 ALA 25 2HB ALA 25 -1.895 -7.276 2.034 156 HB3 ALA 25 3HB ALA 25 -0.261 -6.699 2.432 157 H GLU 26 H GLU 26 -3.687 -5.742 2.036 158 HA GLU 26 HA GLU 26 -2.824 -4.046 0.091 159 HB3 GLU 26 2HB GLU 26 -5.742 -4.286 0.925 160 HG3 GLU 26 2HG GLU 26 -4.196 -3.819 -1.592 161 H ALA 27 H ALA 27 -5.015 -3.110 2.754 162 HA ALA 27 HA ALA 27 -5.152 -0.363 2.368 163 HB1 ALA 27 1HB ALA 27 -5.108 -2.044 4.935 164 HB2 ALA 27 2HB ALA 27 -5.480 -0.309 4.919 165 HB3 ALA 27 3HB ALA 27 -6.525 -1.436 4.045 166 H ARG 28 H ARG 28 -2.779 -2.131 4.423 167 HA ARG 28 HA ARG 28 -1.385 0.216 5.193 168 HB3 ARG 28 2HB ARG 28 0.266 -2.230 5.218 169 HG3 ARG 28 2HG ARG 28 0.146 -1.974 7.667 170 HD3 ARG 28 2HD ARG 28 0.546 0.798 6.498 171 HE ARG 28 HE ARG 28 0.869 0.893 8.860 172 HH11 ARG 28 1HH1 ARG 28 3.005 -1.611 7.590 173 HH12 ARG 28 2HH1 ARG 28 4.408 -1.040 8.463 174 HH21 ARG 28 1HH2 ARG 28 2.635 1.388 10.313 175 HH22 ARG 28 2HH2 ARG 28 4.165 0.628 10.089 176 H ARG 29 H ARG 29 -1.102 -1.643 2.161 177 HA ARG 29 HA ARG 29 1.477 -0.366 1.550 178 HB3 ARG 29 2HB ARG 29 1.509 -1.462 -0.455 179 HG3 ARG 29 2HG ARG 29 -0.865 -3.110 0.363 180 HD3 ARG 29 2HD ARG 29 1.747 -4.051 -0.795 181 HE ARG 29 HE ARG 29 -0.864 -5.176 -1.535 182 HH11 ARG 29 1HH1 ARG 29 2.209 -5.727 0.149 183 HH12 ARG 29 2HH1 ARG 29 1.712 -7.303 0.727 184 HH21 ARG 29 1HH2 ARG 29 -1.406 -7.280 -0.869 185 HH22 ARG 29 2HH2 ARG 29 -0.320 -8.212 0.099 186 H ASN 30 H ASN 30 -1.900 0.042 0.427 187 HA ASN 30 HA ASN 30 -1.524 2.274 -1.300 188 HB3 ASN 30 2HB ASN 30 -4.033 2.637 -0.105 189 HD21 ASN 30 1HD2 ASN 30 -5.731 0.895 -1.311 190 HD22 ASN 30 2HD2 ASN 30 -5.528 0.970 -3.012 191 H ARG 31 H ARG 31 -2.002 2.186 2.234 192 HA ARG 31 HA ARG 31 -2.081 4.876 2.899 193 HB3 ARG 31 2HB ARG 31 -0.521 2.605 4.207 194 HG3 ARG 31 2HG ARG 31 -1.469 5.221 5.396 195 HD3 ARG 31 2HD ARG 31 -0.578 2.661 6.803 196 HE ARG 31 HE ARG 31 -0.063 4.681 8.109 197 HH11 ARG 31 1HH1 ARG 31 -3.589 3.962 7.892 198 HH12 ARG 31 2HH1 ARG 31 -3.873 4.539 9.500 199 HH21 ARG 31 1HH2 ARG 31 -0.594 5.458 10.261 200 HH22 ARG 31 2HH2 ARG 31 -2.247 5.396 10.768 201 H LEU 32 H LEU 32 0.930 3.029 2.241 202 HA LEU 32 HA LEU 32 2.751 5.129 2.815 203 HB3 LEU 32 2HB LEU 32 4.392 3.586 1.841 204 HG LEU 32 HG LEU 32 2.252 2.176 3.373 205 HD11 LEU 32 1HD1 LEU 32 3.251 0.661 1.558 206 HD12 LEU 32 2HD1 LEU 32 3.246 0.085 3.224 207 HD13 LEU 32 3HD1 LEU 32 4.712 0.754 2.480 208 HD21 LEU 32 3HD2 LEU 32 5.167 2.398 4.040 209 HD22 LEU 32 1HD2 LEU 32 3.877 1.853 5.059 210 HD23 LEU 32 2HD2 LEU 32 3.906 3.570 4.606 211 H LEU 33 H LEU 33 1.314 3.898 -0.243 212 HA LEU 33 HA LEU 33 2.750 5.637 -1.962 213 HB3 LEU 33 2HB LEU 33 0.016 4.458 -2.504 214 HG LEU 33 HG LEU 33 1.951 5.691 -4.154 215 HD11 LEU 33 1HD1 LEU 33 2.899 3.883 -5.519 216 HD12 LEU 33 2HD1 LEU 33 2.164 2.646 -4.476 217 HD13 LEU 33 3HD1 LEU 33 3.421 3.711 -3.844 218 HD21 LEU 33 3HD2 LEU 33 -0.150 3.591 -4.784 219 HD22 LEU 33 1HD2 LEU 33 0.656 4.664 -5.989 220 HD23 LEU 33 2HD2 LEU 33 -0.369 5.356 -4.720 221 H GLY 34 H GLY 34 -0.555 5.907 -0.480 222 HA2 GLY 34 1HA GLY 34 -1.333 8.234 -1.886 223 HA3 GLY 34 2HA GLY 34 -2.054 7.588 -0.410 224 H GLU 35 H GLU 35 0.412 7.817 1.249 225 HA GLU 35 HA GLU 35 0.241 10.607 1.952 226 HB3 GLU 35 2HB GLU 35 0.659 9.274 3.761 227 HG3 GLU 35 2HG GLU 35 2.024 7.481 2.117 228 H TRP 36 H TRP 36 2.737 8.743 0.211 229 HA TRP 36 HA TRP 36 4.456 10.905 -0.396 230 HB3 TRP 36 2HB TRP 36 3.678 8.461 -2.037 231 HD1 TRP 36 HD TRP 36 6.759 10.811 -1.856 232 HE1 TRP 36 1HE TRP 36 7.746 11.068 -4.155 233 HE3 TRP 36 3HE TRP 36 3.096 8.413 -4.463 234 HZ2 TRP 36 2HZ TRP 36 7.069 10.264 -6.848 235 HZ3 TRP 36 3HZ TRP 36 3.191 8.387 -6.963 236 HH2 TRP 36 HH TRP 36 5.182 9.288 -8.147 237 H ALA 37 H ALA 37 1.654 9.710 -2.355 238 HA ALA 37 HA ALA 37 1.760 11.782 -4.281 239 HB1 ALA 37 1HB ALA 37 0.529 9.763 -4.708 240 HB2 ALA 37 2HB ALA 37 -0.497 10.018 -3.297 241 HB3 ALA 37 3HB ALA 37 -0.640 11.103 -4.709 242 H ALA 38 H ALA 38 0.007 11.766 -1.113 243 HA ALA 38 HA ALA 38 -1.385 14.193 -1.429 244 HB1 ALA 38 1HB ALA 38 -1.386 14.301 0.999 245 HB2 ALA 38 2HB ALA 38 -1.594 12.607 0.505 246 HB3 ALA 38 3HB ALA 38 -0.033 13.165 1.109 247 H GLY 39 H GLY 39 1.983 13.604 -0.400 248 HA2 GLY 39 1HA GLY 39 2.901 16.204 0.113 249 HA3 GLY 39 2HA GLY 39 3.857 14.861 -0.514 250 H LEU 40 H LEU 40 2.407 14.545 -2.978 251 HA LEU 40 HA LEU 40 3.937 16.473 -4.527 252 HB3 LEU 40 2HB LEU 40 3.049 15.046 -6.436 253 HG LEU 40 HG LEU 40 4.333 13.550 -4.105 254 HD11 LEU 40 1HD1 LEU 40 3.410 11.957 -5.684 255 HD12 LEU 40 2HD1 LEU 40 5.126 12.101 -6.020 256 HD13 LEU 40 3HD1 LEU 40 3.966 12.924 -7.073 257 HD21 LEU 40 3HD2 LEU 40 5.770 15.353 -4.733 258 HD22 LEU 40 1HD2 LEU 40 5.406 15.133 -6.460 259 HD23 LEU 40 2HD2 LEU 40 6.391 13.924 -5.581 260 H LEU 41 H LEU 41 0.462 15.713 -4.159 261 HA LEU 41 HA LEU 41 -0.487 17.714 -6.005 262 HB3 LEU 41 2HB LEU 41 -2.497 17.809 -4.461 263 HG LEU 41 HG LEU 41 -3.444 15.762 -5.001 264 HD11 LEU 41 1HD1 LEU 41 -1.559 16.190 -7.325 265 HD12 LEU 41 2HD1 LEU 41 -2.924 17.274 -6.949 266 HD13 LEU 41 3HD1 LEU 41 -3.228 15.575 -7.330 267 HD21 LEU 41 3HD2 LEU 41 -0.757 14.573 -5.478 268 HD22 LEU 41 1HD2 LEU 41 -2.311 13.801 -5.856 269 HD23 LEU 41 2HD2 LEU 41 -1.897 14.189 -4.176 270 H GLY 42 H GLY 42 0.557 17.753 -2.697 271 HA2 GLY 42 1HA GLY 42 1.640 19.581 -1.563 272 HA3 GLY 42 2HA GLY 42 0.918 20.722 -2.716 273 H LYS 43 H LYS 43 -0.379 18.021 -0.766 274 HA LYS 43 HA LYS 43 -2.437 19.754 0.471 275 HB3 LYS 43 2HB LYS 43 -3.114 17.748 1.624 276 HG3 LYS 43 2HG LYS 43 -3.671 16.118 -0.066 277 HD3 LYS 43 2HD LYS 43 -3.899 18.892 -1.318 278 HE3 LYS 43 2HE LYS 43 -5.304 16.231 -1.748 279 HZ1 LYS 43 3HZ LYS 43 -6.172 18.849 -2.830 280 HZ2 LYS 43 1HZ LYS 43 -6.956 17.940 -1.688 281 HZ3 LYS 43 2HZ LYS 43 -6.780 17.358 -3.180 282 H THR 44 H THR 44 -2.333 19.768 2.907 283 HA THR 44 HA THR 44 0.268 19.257 4.179 284 HB THR 44 HB THR 44 0.130 21.578 5.224 285 HG1 THR 44 1HG THR 44 -1.068 23.116 4.200 286 HG21 THR 44 3HG2 THR 44 0.578 21.655 2.212 287 HG22 THR 44 1HG2 THR 44 1.763 21.096 3.411 288 HG23 THR 44 2HG2 THR 44 1.217 22.777 3.423 289 H GLY 45 H GLY 45 -0.151 19.728 6.689 290 HA2 GLY 45 1HA GLY 45 -1.328 19.770 8.559 291 HA3 GLY 45 2HA GLY 45 -2.642 20.505 7.609 292 H ASP 46 H ASP 46 -4.476 19.408 7.438 293 HA ASP 46 HA ASP 46 -4.360 16.480 7.880 294 HB3 ASP 46 2HB ASP 46 -6.950 17.979 8.156 295 H ASP 47 H ASP 47 -4.797 18.765 5.418 296 HA ASP 47 HA ASP 47 -6.840 17.555 3.764 297 HB3 ASP 47 2HB ASP 47 -5.287 18.653 1.974 298 H ALA 48 H ALA 48 -3.478 17.012 4.476 299 HA ALA 48 HA ALA 48 -2.821 15.288 2.269 300 HB1 ALA 48 1HB ALA 48 -0.730 15.025 3.545 301 HB2 ALA 48 2HB ALA 48 -1.240 16.733 3.591 302 HB3 ALA 48 3HB ALA 48 -1.513 15.678 5.006 303 H ARG 49 H ARG 49 -4.255 14.853 5.447 304 HA ARG 49 HA ARG 49 -3.730 12.023 5.598 305 HB3 ARG 49 2HB ARG 49 -5.634 12.080 7.296 306 HG3 ARG 49 2HG ARG 49 -3.509 14.179 7.872 307 HD3 ARG 49 2HD ARG 49 -4.869 12.021 9.550 308 HE ARG 49 HE ARG 49 -2.462 12.850 10.120 309 HH11 ARG 49 1HH1 ARG 49 -5.298 14.586 11.384 310 HH12 ARG 49 2HH1 ARG 49 -4.824 14.418 13.055 311 HH21 ARG 49 1HH2 ARG 49 -1.571 13.217 12.176 312 HH22 ARG 49 2HH2 ARG 49 -2.482 14.046 13.396 313 H ALA 50 H ALA 50 -6.714 13.924 4.922 314 HA ALA 50 HA ALA 50 -8.368 11.968 4.008 315 HB1 ALA 50 1HB ALA 50 -8.028 14.818 2.976 316 HB2 ALA 50 2HB ALA 50 -9.384 13.763 2.536 317 HB3 ALA 50 3HB ALA 50 -9.151 14.204 4.224 318 H TYR 51 H TYR 51 -5.892 13.602 1.922 319 HA TYR 51 HA TYR 51 -6.587 12.252 -0.438 320 HB3 TYR 51 2HB TYR 51 -3.834 13.192 0.409 321 HD1 TYR 51 1HD TYR 51 -2.960 11.242 -1.014 322 HD2 TYR 51 2HD TYR 51 -5.487 14.336 -2.629 323 HE1 TYR 51 1HE TYR 51 -2.629 10.327 -3.255 324 HE2 TYR 51 2HE TYR 51 -5.002 13.553 -4.921 325 HH TYR 51 HH TYR 51 -4.224 11.807 -6.135 326 H ALA 52 H ALA 52 -4.165 11.172 2.054 327 HA ALA 52 HA ALA 52 -3.595 8.733 0.586 328 HB1 ALA 52 1HB ALA 52 -2.299 8.076 2.526 329 HB2 ALA 52 2HB ALA 52 -2.013 9.799 2.224 330 HB3 ALA 52 3HB ALA 52 -3.120 9.288 3.535 331 H LEU 53 H LEU 53 -6.170 9.722 2.644 332 HA LEU 53 HA LEU 53 -6.927 6.939 3.389 333 HB3 LEU 53 2HB LEU 53 -8.336 8.275 5.100 334 HG LEU 53 HG LEU 53 -5.371 7.859 5.080 335 HD11 LEU 53 1HD1 LEU 53 -5.302 9.913 6.234 336 HD12 LEU 53 2HD1 LEU 53 -5.269 8.664 7.478 337 HD13 LEU 53 3HD1 LEU 53 -6.775 9.555 7.155 338 HD21 LEU 53 3HD2 LEU 53 -6.944 6.048 5.617 339 HD22 LEU 53 1HD2 LEU 53 -7.620 6.998 6.951 340 HD23 LEU 53 2HD2 LEU 53 -5.950 6.439 7.025 341 H THR 54 H THR 54 -7.407 7.968 0.722 342 HA THR 54 HA THR 54 -10.287 7.295 0.770 343 HB THR 54 HB THR 54 -10.096 9.679 0.382 344 HG1 THR 54 1HG THR 54 -11.414 9.704 -1.436 345 HG21 THR 54 3HG2 THR 54 -9.277 10.587 -1.767 346 HG22 THR 54 1HG2 THR 54 -8.633 8.993 -2.202 347 HG23 THR 54 2HG2 THR 54 -7.976 9.891 -0.814 348 H VAL 55 H VAL 55 -7.124 6.930 -0.855 349 HA VAL 55 HA VAL 55 -8.155 5.115 -2.819 350 HB VAL 55 HB VAL 55 -6.063 6.395 -2.967 351 HG11 VAL 55 1HG1 VAL 55 -5.009 4.466 -0.856 352 HG12 VAL 55 2HG1 VAL 55 -4.001 5.537 -1.843 353 HG13 VAL 55 3HG1 VAL 55 -5.168 6.223 -0.700 354 HG21 VAL 55 3HG2 VAL 55 -6.578 4.208 -4.230 355 HG22 VAL 55 1HG2 VAL 55 -4.938 4.826 -4.222 356 HG23 VAL 55 2HG2 VAL 55 -5.366 3.463 -3.165 357 H VAL 56 H VAL 56 -8.198 4.782 0.480 358 HA VAL 56 HA VAL 56 -8.509 1.870 0.232 359 HB VAL 56 HB VAL 56 -6.371 1.897 1.148 360 HG11 VAL 56 1HG1 VAL 56 -5.632 3.097 3.127 361 HG12 VAL 56 2HG1 VAL 56 -6.024 4.199 1.793 362 HG13 VAL 56 3HG1 VAL 56 -7.146 4.023 3.168 363 HG21 VAL 56 3HG2 VAL 56 -8.304 1.635 3.498 364 HG22 VAL 56 1HG2 VAL 56 -7.901 0.375 2.312 365 HG23 VAL 56 2HG2 VAL 56 -6.665 1.006 3.421 366 H THR 57 H THR 57 -10.659 2.323 0.005 367 HA THR 57 HA THR 57 -11.997 2.075 2.435 368 HB THR 57 HB THR 57 -11.827 4.560 2.583 369 HG1 THR 57 1HG THR 57 -13.534 3.649 3.589 370 HG21 THR 57 3HG2 THR 57 -11.950 5.141 0.186 371 HG22 THR 57 1HG2 THR 57 -13.133 6.013 1.170 372 HG23 THR 57 2HG2 THR 57 -13.651 4.657 0.161 373 H SER 58 H SER 58 -12.098 2.606 -1.087 374 HA SER 58 HA SER 58 -14.879 1.560 -1.187 375 HB3 SER 58 2HB SER 58 -15.084 3.776 -1.667 376 HG SER 58 HG SER 58 -12.438 3.656 -2.681 377 H ASP 59 H ASP 59 -11.710 0.764 -2.396 378 HA ASP 59 HA ASP 59 -12.425 -0.002 -5.037 379 HB3 ASP 59 2HB ASP 59 -10.484 -1.556 -4.954 380 H PHE 60 H PHE 60 -13.419 -1.790 -5.857 381 HA PHE 60 HA PHE 60 -14.650 -3.742 -3.992 382 HB3 PHE 60 2HB PHE 60 -15.557 -4.701 -6.133 383 HD1 PHE 60 1HD PHE 60 -17.416 -4.284 -4.515 384 HD2 PHE 60 2HD PHE 60 -15.814 -1.180 -7.062 385 HE1 PHE 60 1HE PHE 60 -19.538 -3.022 -4.324 386 HE2 PHE 60 2HE PHE 60 -17.944 0.075 -6.867 387 HZ PHE 60 HZ PHE 60 -19.820 -0.867 -5.539 388 H ASP 61 H ASP 61 -12.871 -4.011 -7.065 389 HA ASP 61 HA ASP 61 -11.293 -6.351 -6.129 390 HB3 ASP 61 2HB ASP 61 -13.441 -6.295 -8.273 391 H GLU 62 H GLU 62 -9.491 -5.109 -6.427 392 HA GLU 62 HA GLU 62 -8.644 -4.611 -9.172 393 HB3 GLU 62 2HB GLU 62 -8.794 -2.283 -7.218 394 HG3 GLU 62 2HG GLU 62 -8.148 -2.459 -10.184 395 HA PRO 63 HA PRO 63 -5.749 -6.184 -5.981 396 HB3 PRO 63 2HB PRO 63 -5.887 -8.314 -6.844 397 HG3 PRO 63 2HG PRO 63 -6.254 -8.681 -9.175 398 HD3 PRO 63 2HD PRO 63 -7.994 -7.227 -8.488 399 H GLY 64 H GLY 64 -5.127 -4.592 -8.976 400 HA2 GLY 64 1HA GLY 64 -3.537 -2.640 -8.884 401 HA3 GLY 64 2HA GLY 64 -2.342 -3.802 -8.246 402 H ASP 65 H ASP 65 -4.659 -3.371 -10.981 403 HA ASP 65 HA ASP 65 -2.985 -5.196 -12.661 404 HB3 ASP 65 2HB ASP 65 -5.251 -4.951 -14.091 405 H GLU 66 H GLU 66 -1.683 -3.137 -12.326 406 HA GLU 66 HA GLU 66 -0.706 -1.294 -12.932 407 HB3 GLU 66 2HB GLU 66 -0.053 -2.815 -14.714 408 HG3 GLU 66 2HG GLU 66 -2.310 -1.494 -16.271 409 H ASP 67 H ASP 67 -4.015 -1.137 -13.320 410 HA ASP 67 HA ASP 67 -4.266 1.264 -14.861 411 HB3 ASP 67 2HB ASP 67 -6.432 0.698 -12.908 412 H VAL 68 H VAL 68 -3.764 0.552 -11.507 413 HA VAL 68 HA VAL 68 -4.084 2.981 -10.241 414 HB VAL 68 HB VAL 68 -3.476 0.638 -9.439 415 HG11 VAL 68 1HG1 VAL 68 -0.610 1.559 -9.826 416 HG12 VAL 68 2HG1 VAL 68 -1.169 0.070 -9.030 417 HG13 VAL 68 3HG1 VAL 68 -1.442 0.298 -10.764 418 HG21 VAL 68 3HG2 VAL 68 -3.722 2.543 -7.901 419 HG22 VAL 68 1HG2 VAL 68 -2.427 1.465 -7.358 420 HG23 VAL 68 2HG2 VAL 68 -2.026 3.006 -8.158 421 H PHE 69 H PHE 69 -1.468 2.071 -12.538 422 HA PHE 69 HA PHE 69 0.111 4.484 -11.958 423 HB3 PHE 69 2HB PHE 69 0.161 2.645 -14.379 424 HD1 PHE 69 2HD PHE 69 0.365 4.598 -15.921 425 HD2 PHE 69 1HD PHE 69 3.229 4.001 -12.708 426 HE1 PHE 69 2HE PHE 69 1.887 6.221 -16.957 427 HE2 PHE 69 1HE PHE 69 4.733 5.558 -13.780 428 HZ PHE 69 HZ PHE 69 4.048 6.754 -15.891 429 H ARG 70 H ARG 70 -2.346 3.471 -14.381 430 HA ARG 70 HA ARG 70 -2.393 5.881 -15.872 431 HB3 ARG 70 2HB ARG 70 -4.765 4.026 -15.445 432 HG3 ARG 70 2HG ARG 70 -4.658 4.125 -18.015 433 HD3 ARG 70 2HD ARG 70 -5.339 6.862 -17.490 434 HE ARG 70 HE ARG 70 -6.829 4.379 -18.037 435 HH11 ARG 70 1HH1 ARG 70 -7.021 7.938 -17.956 436 HH12 ARG 70 2HH1 ARG 70 -8.377 7.979 -19.033 437 HH21 ARG 70 1HH2 ARG 70 -8.650 4.493 -19.321 438 HH22 ARG 70 2HH2 ARG 70 -9.540 5.951 -19.500 439 H LYS 71 H LYS 71 -3.747 5.060 -12.792 440 HA LYS 71 HA LYS 71 -5.510 7.387 -12.598 441 HB3 LYS 71 2HB LYS 71 -4.661 5.593 -10.285 442 HG3 LYS 71 2HG LYS 71 -7.169 7.179 -10.967 443 HD3 LYS 71 2HD LYS 71 -6.337 6.110 -8.240 444 HE3 LYS 71 2HE LYS 71 -8.607 6.776 -7.605 445 HZ1 LYS 71 3HZ LYS 71 -8.658 9.156 -8.295 446 HZ2 LYS 71 1HZ LYS 71 -7.333 8.930 -9.197 447 HZ3 LYS 71 2HZ LYS 71 -7.252 8.745 -7.558 448 H LEU 72 H LEU 72 -2.511 6.334 -10.931 449 HA LEU 72 HA LEU 72 -1.954 8.674 -9.491 450 HB3 LEU 72 2HB LEU 72 0.544 7.849 -10.105 451 HG LEU 72 HG LEU 72 0.243 5.792 -8.565 452 HD11 LEU 72 1HD1 LEU 72 1.373 7.864 -7.965 453 HD12 LEU 72 2HD1 LEU 72 0.516 7.169 -6.582 454 HD13 LEU 72 3HD1 LEU 72 -0.139 8.561 -7.437 455 HD21 LEU 72 3HD2 LEU 72 -2.298 7.240 -7.739 456 HD22 LEU 72 1HD2 LEU 72 -1.559 5.828 -6.951 457 HD23 LEU 72 2HD2 LEU 72 -2.258 5.683 -8.563 458 H ALA 73 H ALA 73 -1.120 7.899 -12.891 459 HA ALA 73 HA ALA 73 0.498 10.108 -13.464 460 HB1 ALA 73 1HB ALA 73 -1.521 8.664 -15.271 461 HB2 ALA 73 2HB ALA 73 -0.234 9.750 -15.826 462 HB3 ALA 73 3HB ALA 73 0.185 8.219 -15.066 463 H ALA 74 H ALA 74 -3.052 9.738 -13.706 464 HA ALA 74 HA ALA 74 -3.442 12.418 -14.779 465 HB1 ALA 74 1HB ALA 74 -5.853 11.920 -14.308 466 HB2 ALA 74 2HB ALA 74 -5.046 10.583 -15.164 467 HB3 ALA 74 3HB ALA 74 -5.364 10.450 -13.434 468 H ASP 75 H ASP 75 -3.300 11.107 -11.486 469 HA ASP 75 HA ASP 75 -4.376 13.487 -10.182 470 HB3 ASP 75 2HB ASP 75 -2.885 12.354 -8.254 471 H LEU 76 H LEU 76 -1.122 12.369 -11.183 472 HA LEU 76 HA LEU 76 0.122 14.609 -9.657 473 HB3 LEU 76 2HB LEU 76 2.059 13.079 -9.537 474 HG LEU 76 HG LEU 76 -0.470 11.595 -8.698 475 HD11 LEU 76 1HD1 LEU 76 1.071 10.555 -7.049 476 HD12 LEU 76 2HD1 LEU 76 2.430 11.373 -7.840 477 HD13 LEU 76 3HD1 LEU 76 1.488 10.177 -8.738 478 HD21 LEU 76 3HD2 LEU 76 0.049 12.646 -6.447 479 HD22 LEU 76 1HD2 LEU 76 -0.601 13.753 -7.655 480 HD23 LEU 76 2HD2 LEU 76 1.142 13.747 -7.307 481 H GLU 77 H GLU 77 -0.731 14.539 -12.658 482 HA GLU 77 HA GLU 77 1.309 14.307 -14.424 483 HB3 GLU 77 2HB GLU 77 -0.951 16.295 -14.353 484 HG3 GLU 77 2HG GLU 77 0.897 15.557 -16.661 485 H GLY 78 H GLY 78 3.307 14.929 -14.237 486 HA2 GLY 78 1HA GLY 78 5.056 16.480 -14.573 487 HA3 GLY 78 2HA GLY 78 4.035 17.779 -13.990 488 H LYS 79 H LYS 79 3.265 16.270 -11.522 489 HA LYS 79 HA LYS 79 5.443 17.426 -9.919 490 HB3 LYS 79 2HB LYS 79 4.069 16.748 -7.998 491 HG3 LYS 79 2HG LYS 79 3.589 18.860 -9.437 492 HD3 LYS 79 2HD LYS 79 1.507 17.026 -10.493 493 HE3 LYS 79 2HE LYS 79 0.285 18.289 -8.728 494 HZ1 LYS 79 3HZ LYS 79 1.463 20.435 -9.015 495 HZ2 LYS 79 1HZ LYS 79 -0.164 20.573 -9.106 496 HZ3 LYS 79 2HZ LYS 79 0.706 20.642 -10.485 497 H ALA 80 H ALA 80 4.574 14.264 -11.078 498 HA ALA 80 HA ALA 80 7.092 13.221 -10.173 499 HB1 ALA 80 1HB ALA 80 5.733 12.288 -8.413 500 HB2 ALA 80 2HB ALA 80 4.381 11.945 -9.540 501 HB3 ALA 80 3HB ALA 80 5.883 11.025 -9.649 502 H ASP 81 H ASP 81 7.821 11.979 -11.836 503 HA ASP 81 HA ASP 81 6.149 11.717 -14.298 504 HB3 ASP 81 2HB ASP 81 8.206 11.477 -15.515 505 H GLU 82 H GLU 82 6.616 9.656 -15.497 506 HA GLU 82 HA GLU 82 5.729 7.490 -14.230 507 HB3 GLU 82 2HB GLU 82 7.691 7.568 -16.554 508 HG3 GLU 82 2HG GLU 82 5.879 5.421 -16.871 509 H GLU 83 H GLU 83 9.177 8.195 -14.601 510 HA GLU 83 HA GLU 83 10.393 5.923 -13.659 511 HB3 GLU 83 2HB GLU 83 11.116 8.858 -13.199 512 HG3 GLU 83 2HG GLU 83 12.873 6.364 -13.141 513 H THR 84 H THR 84 9.400 8.681 -11.541 514 HA THR 84 HA THR 84 10.187 7.169 -9.187 515 HB THR 84 HB THR 84 10.477 9.579 -9.616 516 HG1 THR 84 1HG THR 84 10.677 9.841 -7.618 517 HG21 THR 84 3HG2 THR 84 8.747 11.182 -8.892 518 HG22 THR 84 1HG2 THR 84 7.564 9.852 -8.938 519 HG23 THR 84 2HG2 THR 84 8.401 10.377 -10.419 520 H ILE 85 H ILE 85 7.183 7.997 -10.807 521 HA ILE 85 HA ILE 85 5.353 7.141 -8.769 522 HB ILE 85 HB ILE 85 5.048 6.761 -11.731 523 HG13 ILE 85 2HG1 ILE 85 5.459 9.225 -10.935 524 HG21 ILE 85 1HG2 ILE 85 2.536 6.970 -11.130 525 HG22 ILE 85 2HG2 ILE 85 3.306 5.521 -10.527 526 HG23 ILE 85 3HG2 ILE 85 3.009 6.922 -9.454 527 HD11 ILE 85 3HD1 ILE 85 4.094 8.695 -13.054 528 HD12 ILE 85 1HD1 ILE 85 2.662 9.026 -12.043 529 HD13 ILE 85 2HD1 ILE 85 3.860 10.281 -12.296 530 H ARG 86 H ARG 86 6.768 5.269 -11.514 531 HA ARG 86 HA ARG 86 5.611 2.750 -10.753 532 HB3 ARG 86 2HB ARG 86 8.096 2.239 -12.066 533 HG3 ARG 86 2HG ARG 86 6.473 2.303 -14.155 534 HD3 ARG 86 2HD ARG 86 5.108 0.307 -12.924 535 HE ARG 86 HE ARG 86 7.782 0.289 -14.166 536 HH11 ARG 86 1HH1 ARG 86 5.229 -1.839 -12.942 537 HH12 ARG 86 2HH1 ARG 86 5.273 -2.911 -14.284 538 HH21 ARG 86 1HH2 ARG 86 7.677 -1.014 -16.083 539 HH22 ARG 86 2HH2 ARG 86 6.747 -2.465 -16.077 540 H ALA 87 H ALA 87 8.382 4.564 -9.723 541 HA ALA 87 HA ALA 87 9.696 2.303 -8.429 542 HB1 ALA 87 1HB ALA 87 10.959 4.372 -8.962 543 HB2 ALA 87 2HB ALA 87 10.049 5.259 -7.717 544 HB3 ALA 87 3HB ALA 87 11.095 3.938 -7.254 545 H LYS 88 H LYS 88 7.585 4.863 -7.095 546 HA LYS 88 HA LYS 88 7.219 3.771 -4.421 547 HB3 LYS 88 2HB LYS 88 5.150 5.096 -4.379 548 HG3 LYS 88 2HG LYS 88 5.900 7.270 -5.150 549 HD3 LYS 88 2HD LYS 88 7.148 5.869 -3.086 550 HE3 LYS 88 2HE LYS 88 9.137 7.351 -4.877 551 HZ1 LYS 88 3HZ LYS 88 9.552 6.233 -2.179 552 HZ2 LYS 88 1HZ LYS 88 9.461 7.865 -2.523 553 HZ3 LYS 88 2HZ LYS 88 10.678 6.938 -3.110 554 H MET 89 H MET 89 5.413 3.302 -7.480 555 HA MET 89 HA MET 89 3.343 1.747 -6.424 556 HB3 MET 89 2HB MET 89 4.650 1.650 -9.162 557 HG3 MET 89 2HG MET 89 1.819 1.045 -9.206 558 HE1 MET 89 3HE MET 89 3.012 1.751 -11.619 559 HE2 MET 89 1HE MET 89 2.923 0.358 -12.712 560 HE3 MET 89 2HE MET 89 1.560 0.717 -11.640 561 H VAL 90 H VAL 90 6.553 0.710 -7.693 562 HA VAL 90 HA VAL 90 6.059 -2.034 -7.185 563 HB VAL 90 HB VAL 90 8.564 -0.372 -7.699 564 HG11 VAL 90 1HG1 VAL 90 9.741 -2.504 -8.251 565 HG12 VAL 90 2HG1 VAL 90 9.322 -2.395 -6.550 566 HG13 VAL 90 3HG1 VAL 90 8.357 -3.418 -7.633 567 HG21 VAL 90 3HG2 VAL 90 6.793 -0.643 -9.563 568 HG22 VAL 90 1HG2 VAL 90 8.448 -1.082 -9.948 569 HG23 VAL 90 2HG2 VAL 90 7.239 -2.350 -9.595 570 H GLU 91 H GLU 91 8.059 0.376 -5.411 571 HA GLU 91 HA GLU 91 9.107 -1.481 -3.645 572 HB3 GLU 91 2HB GLU 91 8.648 1.506 -3.265 573 HG3 GLU 91 2HG GLU 91 10.253 -0.533 -1.680 574 H LEU 92 H LEU 92 6.029 0.568 -3.059 575 HA LEU 92 HA LEU 92 6.106 -0.240 -0.290 576 HB3 LEU 92 2HB LEU 92 3.853 0.959 -0.497 577 HG LEU 92 HG LEU 92 4.641 2.959 -0.546 578 HD11 LEU 92 1HD1 LEU 92 7.352 1.667 -0.158 579 HD12 LEU 92 2HD1 LEU 92 6.089 1.636 1.056 580 HD13 LEU 92 3HD1 LEU 92 6.807 3.188 0.572 581 HD21 LEU 92 3HD2 LEU 92 5.059 3.406 -2.661 582 HD22 LEU 92 1HD2 LEU 92 6.776 2.867 -2.474 583 HD23 LEU 92 2HD2 LEU 92 6.087 4.256 -1.554 584 H ARG 93 H ARG 93 5.059 -1.541 -3.126 585 HA ARG 93 HA ARG 93 2.734 -3.082 -2.283 586 HB3 ARG 93 2HB ARG 93 3.764 -3.986 -4.741 587 HG3 ARG 93 2HG ARG 93 1.404 -3.457 -4.265 588 HD3 ARG 93 2HD ARG 93 1.948 -0.575 -4.985 589 HE ARG 93 HE ARG 93 -0.414 -2.163 -4.823 590 HH11 ARG 93 1HH1 ARG 93 0.490 1.173 -4.586 591 HH12 ARG 93 2HH1 ARG 93 -0.998 1.693 -3.844 592 HH21 ARG 93 1HH2 ARG 93 -2.516 -1.339 -4.489 593 HH22 ARG 93 2HH2 ARG 93 -2.768 0.278 -3.932 594 H ALA 94 H ALA 94 6.131 -3.683 -3.340 595 HA ALA 94 HA ALA 94 6.212 -6.418 -2.680 596 HB1 ALA 94 1HB ALA 94 8.651 -6.150 -2.874 597 HB2 ALA 94 2HB ALA 94 7.797 -5.345 -4.206 598 HB3 ALA 94 3HB ALA 94 8.476 -4.386 -2.871 599 H THR 95 H THR 95 7.106 -3.618 -0.860 600 HA THR 95 HA THR 95 8.514 -4.893 1.312 601 HB THR 95 HB THR 95 7.591 -1.971 0.828 602 HG1 THR 95 1HG THR 95 8.897 -2.462 -0.762 603 HG21 THR 95 3HG2 THR 95 9.875 -3.036 2.613 604 HG22 THR 95 1HG2 THR 95 8.354 -2.431 3.241 605 HG23 THR 95 2HG2 THR 95 9.438 -1.336 2.355 606 H ALA 96 H ALA 96 5.357 -3.090 1.079 607 HA ALA 96 HA ALA 96 4.830 -3.143 3.797 608 HB1 ALA 96 1HB ALA 96 3.459 -1.886 2.220 609 HB2 ALA 96 2HB ALA 96 2.846 -3.400 1.514 610 HB3 ALA 96 3HB ALA 96 2.430 -2.946 3.194 611 H ARG 97 H ARG 97 4.711 -5.835 1.580 612 HA ARG 97 HA ARG 97 3.001 -7.691 2.890 613 HB3 ARG 97 2HB ARG 97 5.528 -7.788 1.181 614 HG3 ARG 97 2HG ARG 97 4.003 -10.203 2.380 615 HD3 ARG 97 2HD ARG 97 5.896 -11.506 1.143 616 HE ARG 97 HE ARG 97 3.388 -11.623 0.628 617 HH11 ARG 97 1HH1 ARG 97 6.151 -11.482 -1.535 618 HH12 ARG 97 2HH1 ARG 97 5.332 -12.165 -2.886 619 HH21 ARG 97 1HH2 ARG 97 2.167 -12.378 -1.254 620 HH22 ARG 97 2HH2 ARG 97 3.065 -12.619 -2.697 621 H GLU 98 H GLU 98 6.608 -7.237 3.353 622 HA GLU 98 HA GLU 98 6.556 -9.076 5.574 623 HB3 GLU 98 2HB GLU 98 8.971 -8.055 5.695 624 HG3 GLU 98 2HG GLU 98 8.547 -9.446 3.069 625 H GLN 99 H GLN 99 6.989 -5.520 5.193 626 HA GLN 99 HA GLN 99 7.240 -4.837 7.733 627 HB3 GLN 99 2HB GLN 99 5.386 -2.964 6.542 628 HG3 GLN 99 2HG GLN 99 8.386 -2.748 6.335 629 HE21 GLN 99 1HE2 GLN 99 8.685 -0.607 5.656 630 HE22 GLN 99 2HE2 GLN 99 7.698 0.703 6.118 631 H ILE 100 H ILE 100 4.111 -5.938 6.445 632 HA ILE 100 HA ILE 100 2.405 -5.054 8.566 633 HB ILE 100 HB ILE 100 2.520 -7.604 6.915 634 HG13 ILE 100 2HG1 ILE 100 0.486 -6.851 5.804 635 HG21 ILE 100 1HG2 ILE 100 0.215 -8.227 7.718 636 HG22 ILE 100 2HG2 ILE 100 1.478 -8.435 8.909 637 HG23 ILE 100 3HG2 ILE 100 0.395 -7.028 9.004 638 HD11 ILE 100 3HD1 ILE 100 -0.379 -4.540 6.117 639 HD12 ILE 100 1HD1 ILE 100 -0.714 -5.550 7.505 640 HD13 ILE 100 2HD1 ILE 100 0.601 -4.359 7.564 641 H ILE 101 H ILE 101 4.600 -7.882 8.405 642 HA ILE 101 HA ILE 101 3.672 -8.831 10.995 643 HB ILE 101 HB ILE 101 5.839 -9.725 9.071 644 HG13 ILE 101 2HG1 ILE 101 4.403 -11.285 8.145 645 HG21 ILE 101 1HG2 ILE 101 4.683 -11.166 11.483 646 HG22 ILE 101 2HG2 ILE 101 5.885 -11.820 10.323 647 HG23 ILE 101 3HG2 ILE 101 6.296 -10.460 11.350 648 HD11 ILE 101 3HD1 ILE 101 1.950 -11.493 8.627 649 HD12 ILE 101 1HD1 ILE 101 2.970 -12.176 9.913 650 HD13 ILE 101 2HD1 ILE 101 2.195 -10.591 10.130 651 H SER 102 H SER 102 6.439 -7.123 9.552 652 HA SER 102 HA SER 102 8.003 -7.049 12.000 653 HB3 SER 102 2HB SER 102 8.153 -5.212 9.606 654 HG SER 102 HG SER 102 9.313 -4.858 11.721 655 H GLU 103 H GLU 103 5.059 -5.548 11.264 656 HA GLU 103 HA GLU 103 5.517 -3.165 12.940 657 HB3 GLU 103 2HB GLU 103 3.518 -4.170 10.933 658 HG3 GLU 103 2HG GLU 103 2.079 -3.207 12.656 659 H ILE 104 H ILE 104 4.490 -6.361 13.262 660 HA ILE 104 HA ILE 104 2.543 -6.051 15.403 661 HB ILE 104 HB ILE 104 4.249 -8.482 14.716 662 HG13 ILE 104 2HG1 ILE 104 2.802 -7.672 12.820 663 HG21 ILE 104 1HG2 ILE 104 2.540 -9.763 15.951 664 HG22 ILE 104 2HG2 ILE 104 3.204 -8.534 17.013 665 HG23 ILE 104 3HG2 ILE 104 1.609 -8.286 16.269 666 HD11 ILE 104 3HD1 ILE 104 1.615 -10.221 13.922 667 HD12 ILE 104 1HD1 ILE 104 1.681 -9.675 12.246 668 HD13 ILE 104 2HD1 ILE 104 3.182 -10.137 13.083 Start of MODEL 15 1 H1 MET 1 H MET 1 9.036 -23.324 18.389 2 HA MET 1 HA MET 1 10.941 -22.089 19.456 3 HB3 MET 1 2HB MET 1 8.960 -20.300 17.984 4 HG3 MET 1 2HG MET 1 11.968 -20.303 18.460 5 HE1 MET 1 3HE MET 1 13.176 -17.435 16.142 6 HE2 MET 1 1HE MET 1 12.648 -17.437 17.840 7 HE3 MET 1 2HE MET 1 13.700 -18.737 17.227 8 H THR 2 H THR 2 7.660 -20.633 20.100 9 HA THR 2 HA THR 2 8.812 -19.172 22.381 10 HB THR 2 HB THR 2 6.384 -18.386 20.756 11 HG1 THR 2 1HG THR 2 7.494 -17.657 19.124 12 HG21 THR 2 3HG2 THR 2 8.639 -16.846 22.096 13 HG22 THR 2 1HG2 THR 2 6.945 -16.925 22.611 14 HG23 THR 2 2HG2 THR 2 7.357 -16.097 21.113 15 H THR 3 H THR 3 6.853 -18.469 23.914 16 HA THR 3 HA THR 3 5.471 -20.731 24.932 17 HB THR 3 HB THR 3 4.172 -18.791 26.138 18 HG1 THR 3 1HG THR 3 4.604 -17.086 24.827 19 HG21 THR 3 3HG2 THR 3 7.194 -19.111 26.405 20 HG22 THR 3 1HG2 THR 3 5.939 -20.059 27.231 21 HG23 THR 3 2HG2 THR 3 6.129 -18.339 27.602 22 H PHE 4 H PHE 4 3.048 -20.697 25.268 23 HA PHE 4 HA PHE 4 1.607 -20.554 22.740 24 HB3 PHE 4 2HB PHE 4 -0.240 -21.435 24.049 25 HD1 PHE 4 2HD PHE 4 1.154 -23.062 22.388 26 HD2 PHE 4 1HD PHE 4 1.665 -22.847 26.667 27 HE1 PHE 4 2HE PHE 4 2.180 -25.324 22.385 28 HE2 PHE 4 1HE PHE 4 2.689 -25.101 26.657 29 HZ PHE 4 HZ PHE 4 2.955 -26.344 24.520 30 H ASP 5 H ASP 5 0.907 -18.574 22.058 31 HA ASP 5 HA ASP 5 -0.314 -16.713 23.951 32 HB3 ASP 5 2HB ASP 5 0.846 -14.783 22.862 33 H ASP 6 H ASP 6 -0.663 -14.798 21.785 34 HA ASP 6 HA ASP 6 -2.780 -16.014 20.207 35 HB3 ASP 6 2HB ASP 6 -2.711 -13.653 19.120 36 H ARG 7 H ARG 7 -2.599 -15.135 17.720 37 HA ARG 7 HA ARG 7 -1.647 -14.613 15.806 38 HB3 ARG 7 2HB ARG 7 1.200 -14.861 16.728 39 HG3 ARG 7 2HG ARG 7 -0.591 -12.769 15.452 40 HD3 ARG 7 2HD ARG 7 1.284 -11.450 14.882 41 HE ARG 7 HE ARG 7 2.223 -11.824 17.606 42 HH11 ARG 7 1HH1 ARG 7 -0.645 -10.410 16.033 43 HH12 ARG 7 2HH1 ARG 7 -0.525 -8.927 16.908 44 HH21 ARG 7 1HH2 ARG 7 2.301 -9.855 18.765 45 HH22 ARG 7 2HH2 ARG 7 0.915 -8.823 18.773 46 H GLU 8 H GLU 8 -1.162 -17.408 17.288 47 HA GLU 8 HA GLU 8 0.340 -18.978 15.554 48 HB3 GLU 8 2HB GLU 8 -2.045 -19.785 17.283 49 HG3 GLU 8 2HG GLU 8 -1.326 -21.757 16.245 50 H ARG 9 H ARG 9 -0.095 -19.972 13.669 51 HA ARG 9 HA ARG 9 -0.917 -19.993 11.533 52 HB3 ARG 9 2HB ARG 9 -2.996 -21.524 11.471 53 HG3 ARG 9 2HG ARG 9 -0.230 -22.012 11.938 54 HD3 ARG 9 2HD ARG 9 -2.083 -23.778 13.553 55 HE ARG 9 HE ARG 9 -0.599 -25.270 12.617 56 HH11 ARG 9 1HH1 ARG 9 1.325 -22.691 14.252 57 HH12 ARG 9 2HH1 ARG 9 2.787 -23.570 14.209 58 HH21 ARG 9 1HH2 ARG 9 1.396 -26.457 12.664 59 HH22 ARG 9 2HH2 ARG 9 2.812 -25.708 13.347 60 H ALA 10 H ALA 10 -1.458 -17.482 12.475 61 HA ALA 10 HA ALA 10 -3.695 -16.854 10.669 62 HB1 ALA 10 1HB ALA 10 -4.650 -15.181 12.257 63 HB2 ALA 10 2HB ALA 10 -4.814 -16.859 12.809 64 HB3 ALA 10 3HB ALA 10 -3.574 -15.810 13.529 65 H HIS 11 H HIS 11 -0.775 -15.623 12.449 66 HA HIS 11 HA HIS 11 -0.410 -13.775 10.157 67 HB3 HIS 11 2HB HIS 11 0.032 -11.877 11.464 68 HD1 HIS 11 1HD HIS 11 -2.190 -10.471 11.463 69 HD2 HIS 11 2HD HIS 11 -2.295 -13.953 13.827 70 HE1 HIS 11 1HE HIS 11 -4.561 -10.672 12.368 71 H GLU 12 H GLU 12 1.031 -16.051 12.202 72 HA GLU 12 HA GLU 12 3.756 -14.988 11.967 73 HB3 GLU 12 2HB GLU 12 4.101 -17.393 13.138 74 HG3 GLU 12 2HG GLU 12 3.476 -16.309 15.372 75 H ALA 13 H ALA 13 1.730 -17.614 10.618 76 HA ALA 13 HA ALA 13 3.945 -18.254 8.695 77 HB1 ALA 13 1HB ALA 13 3.210 -20.166 10.098 78 HB2 ALA 13 2HB ALA 13 1.539 -19.933 9.537 79 HB3 ALA 13 3HB ALA 13 2.805 -20.405 8.388 80 H LYS 14 H LYS 14 0.639 -17.188 9.088 81 HA LYS 14 HA LYS 14 -0.381 -17.953 6.646 82 HB3 LYS 14 2HB LYS 14 -1.307 -15.386 7.963 83 HG3 LYS 14 2HG LYS 14 -2.679 -16.594 6.133 84 HD3 LYS 14 2HD LYS 14 -3.257 -18.415 8.516 85 HE3 LYS 14 2HE LYS 14 -4.368 -18.331 5.678 86 HZ1 LYS 14 3HZ LYS 14 -5.171 -19.999 7.975 87 HZ2 LYS 14 1HZ LYS 14 -4.286 -20.521 6.646 88 HZ3 LYS 14 2HZ LYS 14 -5.827 -20.010 6.475 89 H PHE 15 H PHE 15 1.813 -15.347 7.094 90 HA PHE 15 HA PHE 15 1.022 -14.157 4.471 91 HB3 PHE 15 2HB PHE 15 1.971 -12.083 5.424 92 HD1 PHE 15 1HD PHE 15 -0.780 -12.811 4.762 93 HD2 PHE 15 2HD PHE 15 0.927 -12.261 8.673 94 HE1 PHE 15 1HE PHE 15 -3.029 -12.272 5.667 95 HE2 PHE 15 2HE PHE 15 -1.327 -11.745 9.560 96 HZ PHE 15 HZ PHE 15 -3.301 -11.788 8.082 97 H ALA 16 H ALA 16 3.471 -15.837 6.210 98 HA ALA 16 HA ALA 16 5.774 -15.312 4.631 99 HB1 ALA 16 1HB ALA 16 4.746 -17.970 5.765 100 HB2 ALA 16 2HB ALA 16 6.428 -17.570 5.335 101 HB3 ALA 16 3HB ALA 16 5.661 -16.755 6.711 102 H HIS 17 H HIS 17 2.868 -17.175 4.176 103 HA HIS 17 HA HIS 17 3.880 -18.637 1.914 104 HB3 HIS 17 2HB HIS 17 2.696 -19.554 3.911 105 HD1 HIS 17 1HD HIS 17 -0.152 -18.029 1.728 106 HD2 HIS 17 2HD HIS 17 0.909 -19.590 5.465 107 HE1 HIS 17 1HE HIS 17 -2.355 -18.210 3.047 108 H ASP 18 H ASP 18 3.131 -15.719 1.672 109 HA ASP 18 HA ASP 18 2.000 -14.238 0.332 110 HB3 ASP 18 2HB ASP 18 1.666 -14.899 -2.078 111 H ALA 19 H ALA 19 -0.006 -15.000 -1.710 112 HA ALA 19 HA ALA 19 -2.191 -15.106 -2.004 113 HB1 ALA 19 1HB ALA 19 -1.716 -17.465 -1.512 114 HB2 ALA 19 2HB ALA 19 -2.128 -17.204 0.198 115 HB3 ALA 19 3HB ALA 19 -3.362 -17.003 -1.059 116 H GLU 20 H GLU 20 -2.060 -15.338 1.581 117 HA GLU 20 HA GLU 20 -4.422 -13.545 1.874 118 HB3 GLU 20 2HB GLU 20 -2.998 -14.054 4.345 119 HG3 GLU 20 2HG GLU 20 -4.954 -15.486 4.881 120 H LEU 21 H LEU 21 -0.874 -13.398 2.108 121 HA LEU 21 HA LEU 21 -0.772 -10.837 3.338 122 HB3 LEU 21 2HB LEU 21 1.183 -12.167 1.428 123 HG LEU 21 HG LEU 21 1.842 -9.835 1.543 124 HD11 LEU 21 1HD1 LEU 21 0.675 -9.054 3.575 125 HD12 LEU 21 2HD1 LEU 21 2.401 -8.723 3.685 126 HD13 LEU 21 3HD1 LEU 21 1.708 -10.066 4.594 127 HD21 LEU 21 3HD2 LEU 21 3.543 -11.317 3.584 128 HD22 LEU 21 1HD2 LEU 21 4.061 -10.119 2.387 129 HD23 LEU 21 2HD2 LEU 21 3.530 -11.721 1.862 130 H ASN 22 H ASN 22 -1.617 -11.690 0.057 131 HA ASN 22 HA ASN 22 -0.925 -9.240 -1.226 132 HB3 ASN 22 2HB ASN 22 -3.145 -9.971 -2.630 133 HD21 ASN 22 1HD2 ASN 22 -0.998 -12.698 -2.825 134 HD22 ASN 22 2HD2 ASN 22 0.283 -11.897 -3.716 135 H PHE 23 H PHE 23 -3.820 -10.190 0.602 136 HA PHE 23 HA PHE 23 -5.340 -7.824 0.101 137 HB3 PHE 23 2HB PHE 23 -6.270 -8.688 2.494 138 HD1 PHE 23 1HD PHE 23 -7.552 -7.635 0.128 139 HD2 PHE 23 2HD PHE 23 -6.960 -11.743 1.344 140 HE1 PHE 23 1HE PHE 23 -9.580 -8.305 -1.117 141 HE2 PHE 23 2HE PHE 23 -9.013 -12.384 0.107 142 HZ PHE 23 HZ PHE 23 -10.307 -10.678 -1.122 143 H LYS 24 H LYS 24 -3.553 -8.787 3.080 144 HA LYS 24 HA LYS 24 -3.772 -6.340 4.387 145 HB3 LYS 24 2HB LYS 24 -1.802 -7.062 5.716 146 HG3 LYS 24 2HG LYS 24 -2.388 -9.429 6.228 147 HD3 LYS 24 2HD LYS 24 -4.788 -7.580 5.965 148 HE3 LYS 24 2HE LYS 24 -4.219 -9.917 7.822 149 HZ1 LYS 24 3HZ LYS 24 -6.687 -9.654 8.112 150 HZ2 LYS 24 1HZ LYS 24 -6.535 -8.105 7.546 151 HZ3 LYS 24 2HZ LYS 24 -5.746 -8.526 8.911 152 H ALA 25 H ALA 25 -1.173 -7.326 2.144 153 HA ALA 25 HA ALA 25 0.294 -4.874 2.528 154 HB1 ALA 25 1HB ALA 25 0.680 -7.057 0.444 155 HB2 ALA 25 2HB ALA 25 1.866 -5.835 0.963 156 HB3 ALA 25 3HB ALA 25 1.345 -7.085 2.094 157 H GLU 26 H GLU 26 -2.549 -5.431 0.650 158 HA GLU 26 HA GLU 26 -2.045 -3.456 -1.426 159 HB3 GLU 26 2HB GLU 26 -4.631 -4.470 -0.193 160 HG3 GLU 26 2HG GLU 26 -5.535 -3.613 -2.441 161 H ALA 27 H ALA 27 -3.945 -3.450 1.506 162 HA ALA 27 HA ALA 27 -4.488 -0.798 1.622 163 HB1 ALA 27 1HB ALA 27 -4.119 -2.789 3.924 164 HB2 ALA 27 2HB ALA 27 -4.903 -1.205 4.109 165 HB3 ALA 27 3HB ALA 27 -5.614 -2.422 3.038 166 H ARG 28 H ARG 28 -1.595 -2.356 3.005 167 HA ARG 28 HA ARG 28 -0.450 0.177 3.866 168 HB3 ARG 28 2HB ARG 28 1.770 -1.205 3.686 169 HG3 ARG 28 2HG ARG 28 1.323 -2.319 5.842 170 HD3 ARG 28 2HD ARG 28 -0.011 0.403 5.913 171 HE ARG 28 HE ARG 28 2.004 -0.356 7.831 172 HH11 ARG 28 1HH1 ARG 28 -1.458 -1.128 7.253 173 HH12 ARG 28 2HH1 ARG 28 -1.900 -0.854 8.907 174 HH21 ARG 28 1HH2 ARG 28 1.402 -0.271 10.034 175 HH22 ARG 28 2HH2 ARG 28 -0.184 -0.565 10.558 176 H ARG 29 H ARG 29 0.357 -1.803 0.853 177 HA ARG 29 HA ARG 29 2.325 0.021 0.063 178 HB3 ARG 29 2HB ARG 29 1.960 -2.202 -1.031 179 HG3 ARG 29 2HG ARG 29 -0.191 -0.824 -2.697 180 HD3 ARG 29 2HD ARG 29 1.562 -2.929 -3.381 181 HE ARG 29 HE ARG 29 0.311 -4.619 -2.318 182 HH11 ARG 29 1HH1 ARG 29 -1.505 -3.083 -5.004 183 HH12 ARG 29 2HH1 ARG 29 -2.657 -4.369 -5.103 184 HH21 ARG 29 1HH2 ARG 29 -1.475 -6.223 -2.351 185 HH22 ARG 29 2HH2 ARG 29 -2.622 -6.118 -3.612 186 H ASN 30 H ASN 30 -1.154 0.239 -0.491 187 HA ASN 30 HA ASN 30 -1.120 2.554 -2.174 188 HB3 ASN 30 2HB ASN 30 -3.472 2.513 -0.535 189 HD21 ASN 30 1HD2 ASN 30 -4.960 0.489 -1.952 190 HD22 ASN 30 2HD2 ASN 30 -5.142 1.087 -3.583 191 H ARG 31 H ARG 31 -1.571 2.286 1.403 192 HA ARG 31 HA ARG 31 -1.608 5.059 1.974 193 HB3 ARG 31 2HB ARG 31 -0.589 2.753 3.711 194 HG3 ARG 31 2HG ARG 31 -2.015 4.043 5.439 195 HD3 ARG 31 2HD ARG 31 0.232 5.852 5.085 196 HE ARG 31 HE ARG 31 -0.635 3.890 7.136 197 HH11 ARG 31 1HH1 ARG 31 1.650 6.471 6.307 198 HH12 ARG 31 2HH1 ARG 31 1.931 6.973 7.929 199 HH21 ARG 31 1HH2 ARG 31 -0.053 4.329 9.339 200 HH22 ARG 31 2HH2 ARG 31 0.961 5.684 9.688 201 H LEU 32 H LEU 32 1.127 2.877 1.344 202 HA LEU 32 HA LEU 32 3.153 4.739 2.242 203 HB3 LEU 32 2HB LEU 32 4.759 3.383 1.075 204 HG LEU 32 HG LEU 32 2.750 1.483 2.318 205 HD11 LEU 32 1HD1 LEU 32 4.535 0.330 1.081 206 HD12 LEU 32 2HD1 LEU 32 4.596 0.036 2.828 207 HD13 LEU 32 3HD1 LEU 32 5.740 1.169 2.097 208 HD21 LEU 32 3HD2 LEU 32 4.946 3.041 3.692 209 HD22 LEU 32 1HD2 LEU 32 3.974 1.736 4.402 210 HD23 LEU 32 2HD2 LEU 32 3.184 3.230 3.925 211 H LEU 33 H LEU 33 1.552 4.212 -0.988 212 HA LEU 33 HA LEU 33 3.242 6.027 -2.401 213 HB3 LEU 33 2HB LEU 33 0.768 5.970 -3.673 214 HG LEU 33 HG LEU 33 2.756 3.683 -3.882 215 HD11 LEU 33 1HD1 LEU 33 1.807 3.386 -6.118 216 HD12 LEU 33 2HD1 LEU 33 0.642 4.685 -5.817 217 HD13 LEU 33 3HD1 LEU 33 0.565 3.178 -4.861 218 HD21 LEU 33 3HD2 LEU 33 3.902 5.811 -4.457 219 HD22 LEU 33 1HD2 LEU 33 2.560 6.251 -5.530 220 HD23 LEU 33 2HD2 LEU 33 3.590 4.860 -5.923 221 H GLY 34 H GLY 34 0.144 6.378 -0.662 222 HA2 GLY 34 1HA GLY 34 -0.722 8.805 -1.566 223 HA3 GLY 34 2HA GLY 34 -0.967 8.245 0.091 224 H GLU 35 H GLU 35 1.545 8.377 1.199 225 HA GLU 35 HA GLU 35 1.741 11.103 1.913 226 HB3 GLU 35 2HB GLU 35 3.742 10.415 3.173 227 HG3 GLU 35 2HG GLU 35 3.006 8.297 4.278 228 H TRP 36 H TRP 36 3.515 9.212 -0.506 229 HA TRP 36 HA TRP 36 5.637 11.121 -0.968 230 HB3 TRP 36 2HB TRP 36 4.491 8.815 -2.566 231 HD1 TRP 36 HD TRP 36 7.693 11.048 -2.791 232 HE1 TRP 36 1HE TRP 36 8.333 11.218 -5.279 233 HE3 TRP 36 3HE TRP 36 3.662 8.591 -4.904 234 HZ2 TRP 36 2HZ TRP 36 7.202 10.570 -7.787 235 HZ3 TRP 36 3HZ TRP 36 3.551 8.322 -7.316 236 HH2 TRP 36 HH TRP 36 5.217 9.449 -8.800 237 H ALA 37 H ALA 37 2.617 10.303 -2.755 238 HA ALA 37 HA ALA 37 2.907 12.417 -4.673 239 HB1 ALA 37 1HB ALA 37 0.418 10.957 -3.639 240 HB2 ALA 37 2HB ALA 37 0.454 12.000 -5.076 241 HB3 ALA 37 3HB ALA 37 1.399 10.491 -5.048 242 H ALA 38 H ALA 38 1.290 12.328 -1.443 243 HA ALA 38 HA ALA 38 0.260 14.940 -1.415 244 HB1 ALA 38 1HB ALA 38 -0.261 13.557 0.412 245 HB2 ALA 38 2HB ALA 38 1.429 13.125 0.708 246 HB3 ALA 38 3HB ALA 38 0.883 14.743 1.094 247 H GLY 39 H GLY 39 3.634 13.874 -0.747 248 HA2 GLY 39 1HA GLY 39 4.752 16.421 -0.143 249 HA3 GLY 39 2HA GLY 39 5.612 14.982 -0.681 250 H LEU 40 H LEU 40 3.788 15.130 -3.210 251 HA LEU 40 HA LEU 40 5.455 17.038 -4.757 252 HB3 LEU 40 2HB LEU 40 4.306 15.764 -6.663 253 HG LEU 40 HG LEU 40 5.831 14.063 -4.637 254 HD11 LEU 40 1HD1 LEU 40 4.629 12.572 -6.115 255 HD12 LEU 40 2HD1 LEU 40 6.277 12.696 -6.757 256 HD13 LEU 40 3HD1 LEU 40 4.965 13.596 -7.528 257 HD21 LEU 40 3HD2 LEU 40 7.718 14.444 -6.200 258 HD22 LEU 40 1HD2 LEU 40 7.133 15.943 -5.486 259 HD23 LEU 40 2HD2 LEU 40 6.695 15.555 -7.167 260 H LEU 41 H LEU 41 2.023 16.176 -4.189 261 HA LEU 41 HA LEU 41 0.824 18.259 -5.713 262 HB3 LEU 41 2HB LEU 41 -1.126 17.803 -4.169 263 HG LEU 41 HG LEU 41 0.316 15.466 -5.472 264 HD11 LEU 41 1HD1 LEU 41 -0.830 14.572 -3.481 265 HD12 LEU 41 2HD1 LEU 41 -1.580 14.050 -4.992 266 HD13 LEU 41 3HD1 LEU 41 -2.333 15.343 -4.023 267 HD21 LEU 41 3HD2 LEU 41 -1.676 15.425 -6.926 268 HD22 LEU 41 1HD2 LEU 41 -0.874 17.015 -6.998 269 HD23 LEU 41 2HD2 LEU 41 -2.358 16.777 -6.051 270 H GLY 42 H GLY 42 2.350 18.214 -2.520 271 HA2 GLY 42 1HA GLY 42 3.053 20.059 -1.272 272 HA3 GLY 42 2HA GLY 42 2.048 21.147 -2.249 273 H LYS 43 H LYS 43 0.975 18.093 -0.841 274 HA LYS 43 HA LYS 43 -1.014 19.458 0.818 275 HB3 LYS 43 2HB LYS 43 -1.557 17.129 1.576 276 HG3 LYS 43 2HG LYS 43 -1.926 15.937 -0.572 277 HD3 LYS 43 2HD LYS 43 -3.090 18.705 -0.271 278 HE3 LYS 43 2HE LYS 43 -4.802 17.376 -1.946 279 HZ1 LYS 43 3HZ LYS 43 -3.512 18.599 -3.805 280 HZ2 LYS 43 1HZ LYS 43 -2.622 19.248 -2.568 281 HZ3 LYS 43 2HZ LYS 43 -4.241 19.456 -2.656 282 H THR 44 H THR 44 -0.959 18.874 3.237 283 HA THR 44 HA THR 44 1.830 18.969 4.231 284 HB THR 44 HB THR 44 0.997 20.884 5.703 285 HG1 THR 44 1HG THR 44 -0.990 21.858 4.719 286 HG21 THR 44 3HG2 THR 44 2.248 21.382 3.593 287 HG22 THR 44 1HG2 THR 44 1.059 22.630 4.010 288 HG23 THR 44 2HG2 THR 44 0.701 21.476 2.721 289 H GLY 45 H GLY 45 1.466 19.198 7.020 290 HA2 GLY 45 1HA GLY 45 1.527 16.480 7.274 291 HA3 GLY 45 2HA GLY 45 1.560 17.637 8.625 292 H ASP 46 H ASP 46 -1.287 18.397 7.502 293 HA ASP 46 HA ASP 46 -2.729 16.064 8.540 294 HB3 ASP 46 2HB ASP 46 -2.994 17.859 10.131 295 H ASP 47 H ASP 47 -2.413 18.263 5.920 296 HA ASP 47 HA ASP 47 -4.957 17.687 4.535 297 HB3 ASP 47 2HB ASP 47 -2.807 18.414 2.725 298 H ALA 48 H ALA 48 -1.656 16.575 4.557 299 HA ALA 48 HA ALA 48 -1.640 14.932 2.262 300 HB1 ALA 48 1HB ALA 48 0.532 14.142 3.219 301 HB2 ALA 48 2HB ALA 48 0.444 15.929 3.325 302 HB3 ALA 48 3HB ALA 48 0.151 14.911 4.747 303 H ARG 49 H ARG 49 -2.362 14.525 5.687 304 HA ARG 49 HA ARG 49 -2.589 11.681 5.716 305 HB3 ARG 49 2HB ARG 49 -4.310 12.135 7.569 306 HG3 ARG 49 2HG ARG 49 -1.576 13.434 7.942 307 HD3 ARG 49 2HD ARG 49 -2.913 13.735 9.894 308 HE ARG 49 HE ARG 49 -4.544 12.415 10.462 309 HH11 ARG 49 1HH1 ARG 49 -1.990 10.148 9.419 310 HH12 ARG 49 2HH1 ARG 49 -3.012 8.760 9.509 311 HH21 ARG 49 1HH2 ARG 49 -5.899 10.545 10.545 312 HH22 ARG 49 2HH2 ARG 49 -5.318 9.019 10.042 313 H ALA 50 H ALA 50 -5.122 14.222 5.115 314 HA ALA 50 HA ALA 50 -7.195 12.395 4.549 315 HB1 ALA 50 1HB ALA 50 -6.739 15.180 3.378 316 HB2 ALA 50 2HB ALA 50 -8.245 14.265 3.328 317 HB3 ALA 50 3HB ALA 50 -7.595 14.797 4.892 318 H TYR 51 H TYR 51 -4.861 13.949 2.286 319 HA TYR 51 HA TYR 51 -5.687 12.635 -0.035 320 HB3 TYR 51 2HB TYR 51 -2.836 13.413 0.682 321 HD1 TYR 51 2HD TYR 51 -1.967 11.603 -0.795 322 HD2 TYR 51 1HD TYR 51 -4.754 14.565 -2.227 323 HE1 TYR 51 2HE TYR 51 -1.785 10.658 -3.068 324 HE2 TYR 51 1HE TYR 51 -4.401 13.781 -4.544 325 HH TYR 51 HH TYR 51 -3.766 11.980 -5.776 326 H ALA 52 H ALA 52 -3.356 11.438 2.425 327 HA ALA 52 HA ALA 52 -2.757 8.993 0.992 328 HB1 ALA 52 1HB ALA 52 -1.408 8.470 2.999 329 HB2 ALA 52 2HB ALA 52 -1.122 10.146 2.503 330 HB3 ALA 52 3HB ALA 52 -2.188 9.794 3.883 331 H LEU 53 H LEU 53 -5.557 9.845 2.627 332 HA LEU 53 HA LEU 53 -6.169 7.026 3.394 333 HB3 LEU 53 2HB LEU 53 -7.440 7.905 5.267 334 HG LEU 53 HG LEU 53 -4.511 8.735 5.249 335 HD11 LEU 53 1HD1 LEU 53 -6.382 8.980 7.626 336 HD12 LEU 53 2HD1 LEU 53 -5.767 10.350 6.695 337 HD13 LEU 53 3HD1 LEU 53 -4.628 9.331 7.558 338 HD21 LEU 53 3HD2 LEU 53 -6.062 6.618 6.757 339 HD22 LEU 53 1HD2 LEU 53 -4.318 6.936 6.908 340 HD23 LEU 53 2HD2 LEU 53 -4.981 6.344 5.379 341 H THR 54 H THR 54 -6.673 7.903 0.842 342 HA THR 54 HA THR 54 -9.584 7.702 0.836 343 HB THR 54 HB THR 54 -8.861 10.140 0.910 344 HG1 THR 54 1HG THR 54 -10.916 9.256 0.126 345 HG21 THR 54 3HG2 THR 54 -8.177 11.259 -1.118 346 HG22 THR 54 1HG2 THR 54 -8.216 9.743 -2.037 347 HG23 THR 54 2HG2 THR 54 -7.010 9.987 -0.757 348 H VAL 55 H VAL 55 -6.845 6.309 -0.137 349 HA VAL 55 HA VAL 55 -7.899 5.525 -2.804 350 HB VAL 55 HB VAL 55 -5.630 6.433 -2.712 351 HG11 VAL 55 1HG1 VAL 55 -4.818 3.885 -1.326 352 HG12 VAL 55 2HG1 VAL 55 -3.762 5.235 -1.786 353 HG13 VAL 55 3HG1 VAL 55 -4.934 5.405 -0.459 354 HG21 VAL 55 3HG2 VAL 55 -4.581 4.711 -4.102 355 HG22 VAL 55 1HG2 VAL 55 -5.749 3.501 -3.525 356 HG23 VAL 55 2HG2 VAL 55 -6.306 4.862 -4.487 357 H VAL 56 H VAL 56 -6.588 3.986 0.178 358 HA VAL 56 HA VAL 56 -7.442 1.341 -0.529 359 HB VAL 56 HB VAL 56 -5.635 1.778 1.050 360 HG11 VAL 56 1HG1 VAL 56 -6.490 3.867 2.151 361 HG12 VAL 56 2HG1 VAL 56 -7.651 2.880 3.042 362 HG13 VAL 56 3HG1 VAL 56 -5.919 2.645 3.289 363 HG21 VAL 56 3HG2 VAL 56 -7.969 0.415 2.451 364 HG22 VAL 56 1HG2 VAL 56 -6.835 -0.332 1.304 365 HG23 VAL 56 2HG2 VAL 56 -6.255 0.257 2.866 366 H THR 57 H THR 57 -9.375 0.314 -0.047 367 HA THR 57 HA THR 57 -11.507 -0.032 0.253 368 HB THR 57 HB THR 57 -10.329 -0.225 2.333 369 HG1 THR 57 1HG THR 57 -12.409 -1.005 2.226 370 HG21 THR 57 3HG2 THR 57 -10.806 1.136 4.291 371 HG22 THR 57 1HG2 THR 57 -11.598 2.357 3.250 372 HG23 THR 57 2HG2 THR 57 -9.859 2.005 3.127 373 H SER 58 H SER 58 -10.790 2.806 -0.622 374 HA SER 58 HA SER 58 -12.991 4.501 0.117 375 HB3 SER 58 2HB SER 58 -11.011 4.896 -2.183 376 HG SER 58 HG SER 58 -12.093 6.687 -2.210 377 H ASP 59 H ASP 59 -12.179 2.758 -2.953 378 HA ASP 59 HA ASP 59 -14.543 3.913 -4.262 379 HB3 ASP 59 2HB ASP 59 -13.693 2.411 -6.179 380 H PHE 60 H PHE 60 -16.196 2.488 -5.259 381 HA PHE 60 HA PHE 60 -16.939 0.406 -3.340 382 HB3 PHE 60 2HB PHE 60 -18.601 1.401 -5.670 383 HD1 PHE 60 2HD PHE 60 -19.059 1.255 -1.934 384 HD2 PHE 60 1HD PHE 60 -20.234 -0.375 -5.745 385 HE1 PHE 60 2HE PHE 60 -20.852 -0.042 -0.835 386 HE2 PHE 60 1HE PHE 60 -22.038 -1.687 -4.623 387 HZ PHE 60 HZ PHE 60 -22.357 -1.502 -2.171 388 H ASP 61 H ASP 61 -14.816 0.025 -5.654 389 HA ASP 61 HA ASP 61 -15.544 -2.711 -5.981 390 HB3 ASP 61 2HB ASP 61 -14.745 -1.624 -8.639 391 H GLU 62 H GLU 62 -13.622 -3.875 -7.144 392 HA GLU 62 HA GLU 62 -11.262 -2.834 -5.675 393 HB3 GLU 62 2HB GLU 62 -11.665 -5.503 -7.100 394 HG3 GLU 62 2HG GLU 62 -9.791 -4.612 -4.872 395 HA PRO 63 HA PRO 63 -9.522 -1.708 -9.700 396 HB3 PRO 63 2HB PRO 63 -8.676 0.090 -8.505 397 HG3 PRO 63 2HG PRO 63 -7.678 -0.202 -6.432 398 HD3 PRO 63 2HD PRO 63 -9.745 -1.195 -6.040 399 H GLY 64 H GLY 64 -8.935 -3.133 -11.026 400 HA2 GLY 64 1HA GLY 64 -7.032 -5.352 -10.418 401 HA3 GLY 64 2HA GLY 64 -8.465 -5.474 -11.443 402 H ASP 65 H ASP 65 -5.749 -6.177 -12.144 403 HA ASP 65 HA ASP 65 -3.999 -5.786 -13.537 404 HB3 ASP 65 2HB ASP 65 -6.307 -4.997 -15.335 405 H GLU 66 H GLU 66 -3.798 -4.023 -11.772 406 HA GLU 66 HA GLU 66 -2.970 -1.986 -11.154 407 HB3 GLU 66 2HB GLU 66 -1.335 -1.095 -13.071 408 HG3 GLU 66 2HG GLU 66 -0.583 -2.157 -11.006 409 H ASP 67 H ASP 67 -5.254 -1.145 -11.193 410 HA ASP 67 HA ASP 67 -5.806 0.714 -13.441 411 HB3 ASP 67 2HB ASP 67 -7.629 0.407 -11.061 412 H VAL 68 H VAL 68 -4.647 0.821 -10.232 413 HA VAL 68 HA VAL 68 -5.656 3.342 -9.395 414 HB VAL 68 HB VAL 68 -5.025 1.474 -7.961 415 HG11 VAL 68 1HG1 VAL 68 -2.720 0.919 -7.429 416 HG12 VAL 68 2HG1 VAL 68 -3.056 0.666 -9.138 417 HG13 VAL 68 3HG1 VAL 68 -2.148 2.107 -8.628 418 HG21 VAL 68 3HG2 VAL 68 -3.993 2.671 -6.129 419 HG22 VAL 68 1HG2 VAL 68 -3.321 3.884 -7.233 420 HG23 VAL 68 2HG2 VAL 68 -5.080 3.776 -6.990 421 H PHE 69 H PHE 69 -2.607 2.443 -10.961 422 HA PHE 69 HA PHE 69 -1.143 4.849 -10.742 423 HB3 PHE 69 2HB PHE 69 -1.239 2.755 -12.909 424 HD1 PHE 69 1HD PHE 69 1.598 5.022 -12.301 425 HD2 PHE 69 2HD PHE 69 -1.641 4.034 -14.954 426 HE1 PHE 69 1HE PHE 69 2.372 6.720 -13.928 427 HE2 PHE 69 2HE PHE 69 -0.805 5.641 -16.603 428 HZ PHE 69 HZ PHE 69 1.170 7.037 -16.087 429 H ARG 70 H ARG 70 -3.636 3.949 -13.177 430 HA ARG 70 HA ARG 70 -3.623 6.312 -14.608 431 HB3 ARG 70 2HB ARG 70 -6.081 4.618 -13.975 432 HG3 ARG 70 2HG ARG 70 -5.223 6.274 -16.364 433 HD3 ARG 70 2HD ARG 70 -7.306 4.036 -16.177 434 HE ARG 70 HE ARG 70 -6.676 5.435 -18.683 435 HH11 ARG 70 1HH1 ARG 70 -9.103 4.969 -16.096 436 HH12 ARG 70 2HH1 ARG 70 -10.438 5.219 -17.153 437 HH21 ARG 70 1HH2 ARG 70 -8.363 6.287 -19.856 438 HH22 ARG 70 2HH2 ARG 70 -10.032 6.177 -19.327 439 H LYS 71 H LYS 71 -4.963 5.857 -11.356 440 HA LYS 71 HA LYS 71 -6.364 8.483 -11.570 441 HB3 LYS 71 2HB LYS 71 -6.080 6.854 -9.031 442 HG3 LYS 71 2HG LYS 71 -8.006 9.027 -10.032 443 HD3 LYS 71 2HD LYS 71 -8.897 9.040 -7.708 444 HE3 LYS 71 2HE LYS 71 -9.272 6.507 -9.347 445 HZ1 LYS 71 3HZ LYS 71 -11.184 6.053 -7.950 446 HZ2 LYS 71 1HZ LYS 71 -10.737 7.210 -6.871 447 HZ3 LYS 71 2HZ LYS 71 -9.792 5.885 -7.132 448 H LEU 72 H LEU 72 -3.580 7.027 -9.858 449 HA LEU 72 HA LEU 72 -2.699 9.343 -8.511 450 HB3 LEU 72 2HB LEU 72 -0.360 8.010 -9.018 451 HG LEU 72 HG LEU 72 -0.871 6.374 -7.189 452 HD11 LEU 72 1HD1 LEU 72 -1.392 9.314 -6.671 453 HD12 LEU 72 2HD1 LEU 72 0.140 8.421 -6.582 454 HD13 LEU 72 3HD1 LEU 72 -1.114 8.107 -5.385 455 HD21 LEU 72 3HD2 LEU 72 -2.911 6.546 -5.900 456 HD22 LEU 72 1HD2 LEU 72 -3.314 6.174 -7.590 457 HD23 LEU 72 2HD2 LEU 72 -3.522 7.831 -6.972 458 H ALA 73 H ALA 73 -1.923 8.288 -11.838 459 HA ALA 73 HA ALA 73 -0.132 10.451 -12.436 460 HB1 ALA 73 1HB ALA 73 -1.772 8.611 -14.247 461 HB2 ALA 73 2HB ALA 73 -0.387 9.601 -14.738 462 HB3 ALA 73 3HB ALA 73 -0.154 8.265 -13.604 463 H ALA 74 H ALA 74 -3.622 10.334 -12.300 464 HA ALA 74 HA ALA 74 -3.931 12.703 -14.038 465 HB1 ALA 74 1HB ALA 74 -5.963 11.384 -12.185 466 HB2 ALA 74 2HB ALA 74 -6.268 12.524 -13.509 467 HB3 ALA 74 3HB ALA 74 -5.699 10.902 -13.879 468 H ASP 75 H ASP 75 -3.107 11.910 -10.723 469 HA ASP 75 HA ASP 75 -4.007 14.479 -9.652 470 HB3 ASP 75 2HB ASP 75 -2.171 13.021 -7.923 471 H LEU 76 H LEU 76 -0.770 12.841 -10.023 472 HA LEU 76 HA LEU 76 0.606 15.399 -9.862 473 HB3 LEU 76 2HB LEU 76 2.625 14.129 -10.262 474 HG LEU 76 HG LEU 76 2.882 12.845 -8.400 475 HD11 LEU 76 1HD1 LEU 76 0.682 14.805 -7.670 476 HD12 LEU 76 2HD1 LEU 76 2.412 15.179 -7.813 477 HD13 LEU 76 3HD1 LEU 76 1.838 14.056 -6.559 478 HD21 LEU 76 3HD2 LEU 76 1.417 11.541 -7.296 479 HD22 LEU 76 1HD2 LEU 76 0.866 11.452 -9.009 480 HD23 LEU 76 2HD2 LEU 76 -0.014 12.456 -7.846 481 H GLU 77 H GLU 77 -1.325 15.148 -12.029 482 HA GLU 77 HA GLU 77 -0.048 14.962 -14.588 483 HB3 GLU 77 2HB GLU 77 -2.441 16.517 -13.541 484 HG3 GLU 77 2HG GLU 77 -3.282 16.256 -15.928 485 H GLY 78 H GLY 78 1.778 16.086 -14.973 486 HA2 GLY 78 1HA GLY 78 3.088 17.904 -15.387 487 HA3 GLY 78 2HA GLY 78 1.877 18.942 -14.631 488 H LYS 79 H LYS 79 2.944 16.310 -12.688 489 HA LYS 79 HA LYS 79 5.063 17.994 -11.423 490 HB3 LYS 79 2HB LYS 79 4.587 17.080 -9.255 491 HG3 LYS 79 2HG LYS 79 3.404 19.215 -10.138 492 HD3 LYS 79 2HD LYS 79 1.328 17.279 -10.695 493 HE3 LYS 79 2HE LYS 79 0.829 18.075 -8.179 494 HZ1 LYS 79 3HZ LYS 79 -0.665 19.978 -8.260 495 HZ2 LYS 79 1HZ LYS 79 -0.482 20.105 -9.877 496 HZ3 LYS 79 2HZ LYS 79 0.770 20.468 -8.854 497 H ALA 80 H ALA 80 3.766 14.654 -11.967 498 HA ALA 80 HA ALA 80 6.586 13.682 -11.940 499 HB1 ALA 80 1HB ALA 80 5.881 11.931 -10.274 500 HB2 ALA 80 2HB ALA 80 5.942 13.566 -9.607 501 HB3 ALA 80 3HB ALA 80 4.391 12.787 -10.028 502 H ASP 81 H ASP 81 6.723 12.573 -13.776 503 HA ASP 81 HA ASP 81 4.379 11.577 -15.174 504 HB3 ASP 81 2HB ASP 81 6.042 10.810 -16.863 505 H GLU 82 H GLU 82 4.474 9.354 -16.145 506 HA GLU 82 HA GLU 82 4.284 7.368 -14.267 507 HB3 GLU 82 2HB GLU 82 4.977 7.111 -17.223 508 HG3 GLU 82 2HG GLU 82 3.698 5.120 -15.315 509 H GLU 83 H GLU 83 7.119 8.411 -15.889 510 HA GLU 83 HA GLU 83 9.051 6.496 -15.522 511 HB3 GLU 83 2HB GLU 83 9.175 9.510 -15.166 512 HG3 GLU 83 2HG GLU 83 11.346 7.524 -15.978 513 H THR 84 H THR 84 7.691 8.689 -13.000 514 HA THR 84 HA THR 84 9.397 7.262 -10.990 515 HB THR 84 HB THR 84 9.682 9.661 -11.305 516 HG1 THR 84 1HG THR 84 9.808 10.035 -9.075 517 HG21 THR 84 3HG2 THR 84 8.193 11.265 -10.224 518 HG22 THR 84 1HG2 THR 84 6.965 9.990 -10.102 519 HG23 THR 84 2HG2 THR 84 7.529 10.553 -11.693 520 H ILE 85 H ILE 85 6.102 8.287 -11.679 521 HA ILE 85 HA ILE 85 4.860 7.260 -9.354 522 HB ILE 85 HB ILE 85 3.720 7.006 -12.125 523 HG13 ILE 85 2HG1 ILE 85 4.343 9.384 -11.604 524 HG21 ILE 85 1HG2 ILE 85 2.339 7.078 -9.389 525 HG22 ILE 85 2HG2 ILE 85 1.471 6.998 -10.936 526 HG23 ILE 85 3HG2 ILE 85 2.464 5.662 -10.409 527 HD11 ILE 85 3HD1 ILE 85 2.307 9.067 -12.973 528 HD12 ILE 85 1HD1 ILE 85 1.330 9.032 -11.482 529 HD13 ILE 85 2HD1 ILE 85 2.185 10.484 -11.912 530 H ARG 86 H ARG 86 5.276 5.366 -12.433 531 HA ARG 86 HA ARG 86 4.194 2.988 -11.170 532 HB3 ARG 86 2HB ARG 86 5.611 2.007 -13.312 533 HG3 ARG 86 2HG ARG 86 3.320 3.121 -14.551 534 HD3 ARG 86 2HD ARG 86 2.230 0.903 -13.894 535 HE ARG 86 HE ARG 86 3.734 1.302 -15.922 536 HH11 ARG 86 1HH1 ARG 86 4.312 -1.364 -13.568 537 HH12 ARG 86 2HH1 ARG 86 5.377 -2.183 -14.667 538 HH21 ARG 86 1HH2 ARG 86 4.960 0.053 -17.338 539 HH22 ARG 86 2HH2 ARG 86 5.587 -1.489 -16.856 540 H ALA 87 H ALA 87 7.293 4.455 -11.334 541 HA ALA 87 HA ALA 87 8.854 2.150 -10.488 542 HB1 ALA 87 1HB ALA 87 10.630 3.663 -9.906 543 HB2 ALA 87 2HB ALA 87 9.954 4.148 -11.468 544 HB3 ALA 87 3HB ALA 87 9.571 5.070 -9.992 545 H LYS 88 H LYS 88 7.564 4.953 -8.598 546 HA LYS 88 HA LYS 88 8.055 4.002 -6.015 547 HB3 LYS 88 2HB LYS 88 6.013 5.377 -5.373 548 HG3 LYS 88 2HG LYS 88 6.947 7.523 -6.638 549 HD3 LYS 88 2HD LYS 88 8.444 5.933 -4.519 550 HE3 LYS 88 2HE LYS 88 8.935 8.664 -5.741 551 HZ1 LYS 88 3HZ LYS 88 9.010 9.339 -3.614 552 HZ2 LYS 88 1HZ LYS 88 10.534 8.724 -3.729 553 HZ3 LYS 88 2HZ LYS 88 9.362 7.851 -2.965 554 H MET 89 H MET 89 5.181 3.378 -8.075 555 HA MET 89 HA MET 89 3.766 1.880 -6.128 556 HB3 MET 89 2HB MET 89 3.709 1.764 -9.156 557 HG3 MET 89 2HG MET 89 1.752 0.716 -7.073 558 HE1 MET 89 3HE MET 89 0.894 0.511 -11.627 559 HE2 MET 89 1HE MET 89 2.393 1.210 -10.990 560 HE3 MET 89 2HE MET 89 2.058 -0.525 -10.772 561 H VAL 90 H VAL 90 6.155 0.726 -8.608 562 HA VAL 90 HA VAL 90 6.050 -2.044 -7.854 563 HB VAL 90 HB VAL 90 8.217 -0.333 -9.126 564 HG11 VAL 90 1HG1 VAL 90 8.055 -3.366 -9.199 565 HG12 VAL 90 2HG1 VAL 90 9.325 -2.289 -9.821 566 HG13 VAL 90 3HG1 VAL 90 9.081 -2.501 -8.073 567 HG21 VAL 90 3HG2 VAL 90 6.495 -2.360 -10.596 568 HG22 VAL 90 1HG2 VAL 90 5.960 -0.695 -10.414 569 HG23 VAL 90 2HG2 VAL 90 7.485 -1.044 -11.236 570 H GLU 91 H GLU 91 8.198 0.687 -6.822 571 HA GLU 91 HA GLU 91 9.821 -0.702 -4.996 572 HB3 GLU 91 2HB GLU 91 10.055 1.609 -3.959 573 HG3 GLU 91 2HG GLU 91 10.615 1.485 -6.927 574 H LEU 92 H LEU 92 6.465 -0.178 -4.655 575 HA LEU 92 HA LEU 92 6.667 -0.234 -1.669 576 HB3 LEU 92 2HB LEU 92 4.374 0.890 -1.853 577 HG LEU 92 HG LEU 92 6.850 2.393 -2.901 578 HD11 LEU 92 1HD1 LEU 92 4.212 3.410 -1.818 579 HD12 LEU 92 2HD1 LEU 92 4.938 3.689 -3.417 580 HD13 LEU 92 3HD1 LEU 92 5.674 4.416 -1.990 581 HD21 LEU 92 3HD2 LEU 92 5.894 1.779 -0.121 582 HD22 LEU 92 1HD2 LEU 92 6.894 3.204 -0.452 583 HD23 LEU 92 2HD2 LEU 92 7.512 1.596 -0.814 584 H ARG 93 H ARG 93 5.720 -1.976 -4.408 585 HA ARG 93 HA ARG 93 3.617 -3.560 -3.168 586 HB3 ARG 93 2HB ARG 93 4.901 -5.115 -5.139 587 HG3 ARG 93 2HG ARG 93 2.387 -4.493 -4.734 588 HD3 ARG 93 2HD ARG 93 2.857 -2.053 -5.588 589 HE ARG 93 HE ARG 93 3.989 -2.664 -7.661 590 HH11 ARG 93 1HH1 ARG 93 0.446 -3.011 -7.818 591 HH12 ARG 93 2HH1 ARG 93 0.437 -3.648 -9.417 592 HH21 ARG 93 1HH2 ARG 93 3.964 -3.366 -9.814 593 HH22 ARG 93 2HH2 ARG 93 2.515 -3.410 -10.738 594 H ALA 94 H ALA 94 7.019 -4.348 -4.020 595 HA ALA 94 HA ALA 94 7.079 -6.697 -2.448 596 HB1 ALA 94 1HB ALA 94 8.591 -5.907 -4.453 597 HB2 ALA 94 2HB ALA 94 9.570 -5.147 -3.175 598 HB3 ALA 94 3HB ALA 94 9.295 -6.890 -3.151 599 H THR 95 H THR 95 8.084 -3.328 -1.669 600 HA THR 95 HA THR 95 9.170 -3.920 0.879 601 HB THR 95 HB THR 95 7.927 -1.437 -0.310 602 HG1 THR 95 1HG THR 95 10.582 -2.298 0.274 603 HG21 THR 95 3HG2 THR 95 7.720 -1.016 2.038 604 HG22 THR 95 1HG2 THR 95 9.145 -0.140 1.463 605 HG23 THR 95 2HG2 THR 95 9.331 -1.657 2.369 606 H ALA 96 H ALA 96 5.727 -3.009 -0.009 607 HA ALA 96 HA ALA 96 4.816 -3.134 2.670 608 HB1 ALA 96 1HB ALA 96 3.454 -2.162 0.951 609 HB2 ALA 96 2HB ALA 96 3.363 -3.714 0.089 610 HB3 ALA 96 3HB ALA 96 2.579 -3.524 1.677 611 H ARG 97 H ARG 97 5.555 -5.714 0.363 612 HA ARG 97 HA ARG 97 4.307 -7.785 1.954 613 HB3 ARG 97 2HB ARG 97 5.969 -9.211 0.410 614 HG3 ARG 97 2HG ARG 97 3.750 -7.571 -0.820 615 HD3 ARG 97 2HD ARG 97 5.217 -8.365 -2.601 616 HE ARG 97 HE ARG 97 5.602 -10.738 -1.051 617 HH11 ARG 97 1HH1 ARG 97 4.966 -9.844 -4.444 618 HH12 ARG 97 2HH1 ARG 97 5.908 -11.141 -5.088 619 HH21 ARG 97 1HH2 ARG 97 6.678 -12.593 -1.961 620 HH22 ARG 97 2HH2 ARG 97 6.853 -12.730 -3.663 621 H GLU 98 H GLU 98 7.236 -5.971 2.710 622 HA GLU 98 HA GLU 98 7.656 -8.048 4.739 623 HB3 GLU 98 2HB GLU 98 9.701 -6.603 5.055 624 HG3 GLU 98 2HG GLU 98 11.079 -7.533 3.294 625 H GLN 99 H GLN 99 6.945 -4.576 4.154 626 HA GLN 99 HA GLN 99 6.919 -3.793 6.830 627 HB3 GLN 99 2HB GLN 99 5.159 -2.062 5.589 628 HG3 GLN 99 2HG GLN 99 8.150 -2.034 5.144 629 HE21 GLN 99 1HE2 GLN 99 8.908 0.089 4.529 630 HE22 GLN 99 2HE2 GLN 99 7.803 1.436 4.320 631 H ILE 100 H ILE 100 4.690 -6.069 5.686 632 HA ILE 100 HA ILE 100 2.585 -5.184 7.615 633 HB ILE 100 HB ILE 100 2.947 -7.804 6.112 634 HG13 ILE 100 2HG1 ILE 100 0.886 -7.243 4.912 635 HG21 ILE 100 1HG2 ILE 100 0.806 -7.131 8.092 636 HG22 ILE 100 2HG2 ILE 100 0.695 -8.443 6.893 637 HG23 ILE 100 3HG2 ILE 100 1.979 -8.477 8.094 638 HD11 ILE 100 3HD1 ILE 100 1.131 -4.514 6.221 639 HD12 ILE 100 1HD1 ILE 100 0.105 -4.896 4.852 640 HD13 ILE 100 2HD1 ILE 100 -0.196 -5.671 6.416 641 H ILE 101 H ILE 101 5.039 -7.769 7.231 642 HA ILE 101 HA ILE 101 4.456 -8.709 9.889 643 HB ILE 101 HB ILE 101 6.594 -9.390 7.829 644 HG13 ILE 101 2HG1 ILE 101 5.098 -11.099 7.063 645 HG21 ILE 101 1HG2 ILE 101 6.697 -11.597 9.122 646 HG22 ILE 101 2HG2 ILE 101 7.418 -10.168 9.895 647 HG23 ILE 101 3HG2 ILE 101 5.829 -10.730 10.439 648 HD11 ILE 101 3HD1 ILE 101 3.990 -12.023 9.000 649 HD12 ILE 101 1HD1 ILE 101 3.343 -10.432 9.457 650 HD13 ILE 101 2HD1 ILE 101 2.738 -11.206 8.018 651 H SER 102 H SER 102 6.902 -6.704 8.474 652 HA SER 102 HA SER 102 8.656 -6.463 10.711 653 HB3 SER 102 2HB SER 102 7.882 -4.434 8.605 654 HG SER 102 HG SER 102 10.493 -4.818 9.517 655 H GLU 103 H GLU 103 5.365 -5.265 10.223 656 HA GLU 103 HA GLU 103 5.677 -3.066 12.176 657 HB3 GLU 103 2HB GLU 103 3.587 -3.983 10.179 658 HG3 GLU 103 2HG GLU 103 2.373 -3.010 12.176 659 H ILE 104 H ILE 104 4.522 -6.391 12.088 660 HA ILE 104 HA ILE 104 2.230 -6.142 13.624 661 HB ILE 104 HB ILE 104 4.119 -8.478 13.267 662 HG13 ILE 104 2HG1 ILE 104 2.940 -7.784 11.286 663 HG21 ILE 104 1HG2 ILE 104 1.348 -8.718 14.504 664 HG22 ILE 104 2HG2 ILE 104 2.577 -9.990 14.224 665 HG23 ILE 104 3HG2 ILE 104 2.838 -8.779 15.461 666 HD11 ILE 104 3HD1 ILE 104 2.839 -10.265 11.661 667 HD12 ILE 104 1HD1 ILE 104 1.203 -10.037 12.326 668 HD13 ILE 104 2HD1 ILE 104 1.530 -9.609 10.646 Start of MODEL 16 1 H1 MET 1 H MET 1 -4.049 -16.653 22.056 2 HA MET 1 HA MET 1 -4.315 -14.260 22.551 3 HB3 MET 1 2HB MET 1 -6.299 -15.790 22.466 4 HG3 MET 1 2HG MET 1 -7.538 -16.112 24.621 5 HE1 MET 1 3HE MET 1 -8.212 -18.456 24.466 6 HE2 MET 1 1HE MET 1 -7.523 -18.162 22.854 7 HE3 MET 1 2HE MET 1 -7.169 -19.681 23.709 8 H THR 2 H THR 2 -2.526 -15.809 25.040 9 HA THR 2 HA THR 2 -2.997 -13.631 26.940 10 HB THR 2 HB THR 2 -4.794 -15.207 27.387 11 HG1 THR 2 1HG THR 2 -2.691 -15.129 29.253 12 HG21 THR 2 3HG2 THR 2 -4.408 -17.482 28.223 13 HG22 THR 2 1HG2 THR 2 -2.663 -17.329 27.949 14 HG23 THR 2 2HG2 THR 2 -3.791 -17.330 26.580 15 H THR 3 H THR 3 -0.861 -14.402 25.144 16 HA THR 3 HA THR 3 1.238 -15.531 26.881 17 HB THR 3 HB THR 3 1.585 -16.877 24.557 18 HG1 THR 3 1HG THR 3 -0.118 -17.175 23.448 19 HG21 THR 3 3HG2 THR 3 -0.372 -17.739 26.720 20 HG22 THR 3 1HG2 THR 3 1.395 -17.930 26.760 21 HG23 THR 3 2HG2 THR 3 0.445 -18.804 25.552 22 H PHE 4 H PHE 4 3.405 -15.250 25.823 23 HA PHE 4 HA PHE 4 3.572 -12.915 24.060 24 HB3 PHE 4 2HB PHE 4 4.833 -12.969 26.827 25 HD1 PHE 4 2HD PHE 4 3.048 -10.359 24.822 26 HD2 PHE 4 1HD PHE 4 6.858 -11.690 26.384 27 HE1 PHE 4 2HE PHE 4 4.104 -8.247 24.083 28 HE2 PHE 4 1HE PHE 4 7.887 -9.562 25.657 29 HZ PHE 4 HZ PHE 4 6.514 -7.829 24.511 30 H ASP 5 H ASP 5 5.940 -12.437 23.744 31 HA ASP 5 HA ASP 5 7.923 -12.921 22.928 32 HB3 ASP 5 2HB ASP 5 9.134 -14.985 24.152 33 H ASP 6 H ASP 6 5.757 -15.571 22.991 34 HA ASP 6 HA ASP 6 6.822 -17.615 21.775 35 HB3 ASP 6 2HB ASP 6 4.477 -17.820 20.475 36 H ARG 7 H ARG 7 5.264 -15.181 19.698 37 HA ARG 7 HA ARG 7 5.220 -14.940 17.402 38 HB3 ARG 7 2HB ARG 7 8.073 -15.693 16.954 39 HG3 ARG 7 2HG ARG 7 6.441 -13.116 16.724 40 HD3 ARG 7 2HD ARG 7 8.361 -12.317 15.349 41 HE ARG 7 HE ARG 7 8.389 -12.405 18.235 42 HH11 ARG 7 1HH1 ARG 7 10.241 -11.280 15.410 43 HH12 ARG 7 2HH1 ARG 7 11.269 -10.230 16.330 44 HH21 ARG 7 1HH2 ARG 7 9.615 -10.724 19.411 45 HH22 ARG 7 2HH2 ARG 7 10.938 -9.978 18.568 46 H GLU 8 H GLU 8 4.514 -17.387 18.589 47 HA GLU 8 HA GLU 8 5.132 -19.621 17.013 48 HB3 GLU 8 2HB GLU 8 4.020 -19.681 19.196 49 HG3 GLU 8 2HG GLU 8 1.806 -18.463 17.570 50 H ARG 9 H ARG 9 3.027 -20.665 15.875 51 HA ARG 9 HA ARG 9 3.348 -19.671 13.298 52 HB3 ARG 9 2HB ARG 9 1.626 -21.441 12.699 53 HG3 ARG 9 2HG ARG 9 4.289 -21.805 13.568 54 HD3 ARG 9 2HD ARG 9 2.278 -23.435 15.061 55 HE ARG 9 HE ARG 9 4.709 -24.894 14.431 56 HH11 ARG 9 1HH1 ARG 9 1.178 -24.619 13.937 57 HH12 ARG 9 2HH1 ARG 9 1.045 -26.001 12.935 58 HH21 ARG 9 1HH2 ARG 9 4.598 -26.573 12.938 59 HH22 ARG 9 2HH2 ARG 9 3.109 -27.113 12.244 60 H ALA 10 H ALA 10 2.630 -17.598 13.796 61 HA ALA 10 HA ALA 10 -0.071 -16.962 12.845 62 HB1 ALA 10 1HB ALA 10 -0.103 -15.190 14.625 63 HB2 ALA 10 2HB ALA 10 0.052 -16.800 15.341 64 HB3 ALA 10 3HB ALA 10 1.479 -15.748 15.232 65 H HIS 11 H HIS 11 3.064 -15.463 13.912 66 HA HIS 11 HA HIS 11 2.910 -13.736 11.622 67 HB3 HIS 11 2HB HIS 11 4.986 -12.694 12.526 68 HD1 HIS 11 1HD HIS 11 3.359 -10.730 13.281 69 HD2 HIS 11 2HD HIS 11 3.337 -14.145 15.738 70 HE1 HIS 11 1HE HIS 11 1.957 -10.130 15.314 71 H GLU 12 H GLU 12 5.534 -15.684 12.682 72 HA GLU 12 HA GLU 12 6.940 -15.974 10.247 73 HB3 GLU 12 2HB GLU 12 8.313 -17.502 11.442 74 HG3 GLU 12 2HG GLU 12 8.844 -16.478 13.557 75 H ALA 13 H ALA 13 4.012 -17.120 10.483 76 HA ALA 13 HA ALA 13 4.483 -19.545 8.855 77 HB1 ALA 13 1HB ALA 13 3.082 -20.978 10.105 78 HB2 ALA 13 2HB ALA 13 4.293 -20.347 11.228 79 HB3 ALA 13 3HB ALA 13 2.620 -19.684 11.220 80 H LYS 14 H LYS 14 1.706 -17.566 10.345 81 HA LYS 14 HA LYS 14 -0.083 -18.584 8.451 82 HB3 LYS 14 2HB LYS 14 -0.512 -15.768 9.437 83 HG3 LYS 14 2HG LYS 14 -2.272 -17.237 8.308 84 HD3 LYS 14 2HD LYS 14 -3.099 -18.406 10.863 85 HE3 LYS 14 2HE LYS 14 -3.986 -18.965 8.531 86 HZ1 LYS 14 3HZ LYS 14 -2.768 -21.021 7.705 87 HZ2 LYS 14 1HZ LYS 14 -1.477 -20.549 8.527 88 HZ3 LYS 14 2HZ LYS 14 -2.096 -19.574 7.299 89 H PHE 15 H PHE 15 1.615 -15.420 8.474 90 HA PHE 15 HA PHE 15 0.749 -14.758 5.830 91 HB3 PHE 15 2HB PHE 15 2.351 -12.918 6.077 92 HD1 PHE 15 1HD PHE 15 -0.367 -12.628 6.416 93 HD2 PHE 15 2HD PHE 15 2.526 -12.985 9.580 94 HE1 PHE 15 1HE PHE 15 -1.965 -11.587 7.986 95 HE2 PHE 15 2HE PHE 15 0.945 -11.898 11.140 96 HZ PHE 15 HZ PHE 15 -1.311 -11.210 10.358 97 H ALA 16 H ALA 16 3.445 -16.712 7.003 98 HA ALA 16 HA ALA 16 5.029 -16.590 4.579 99 HB1 ALA 16 1HB ALA 16 6.287 -18.381 5.591 100 HB2 ALA 16 2HB ALA 16 5.868 -17.219 6.895 101 HB3 ALA 16 3HB ALA 16 4.993 -18.747 6.729 102 H HIS 17 H HIS 17 2.204 -18.418 5.584 103 HA HIS 17 HA HIS 17 2.344 -20.192 3.212 104 HB3 HIS 17 2HB HIS 17 0.414 -21.306 4.316 105 HD1 HIS 17 1HD HIS 17 3.114 -22.607 3.800 106 HD2 HIS 17 2HD HIS 17 1.902 -21.303 7.615 107 HE1 HIS 17 1HE HIS 17 4.217 -24.138 5.465 108 H ASP 18 H ASP 18 1.891 -17.318 2.995 109 HA ASP 18 HA ASP 18 0.595 -15.802 2.029 110 HB3 ASP 18 2HB ASP 18 1.219 -17.699 0.266 111 H ALA 19 H ALA 19 -1.888 -16.109 0.600 112 HA ALA 19 HA ALA 19 -3.989 -15.533 0.772 113 HB1 ALA 19 1HB ALA 19 -4.029 -17.510 3.063 114 HB2 ALA 19 2HB ALA 19 -5.383 -17.044 2.002 115 HB3 ALA 19 3HB ALA 19 -3.993 -17.927 1.339 116 H GLU 20 H GLU 20 -3.190 -15.760 4.250 117 HA GLU 20 HA GLU 20 -4.657 -13.393 5.042 118 HB3 GLU 20 2HB GLU 20 -2.842 -13.588 6.994 119 HG3 GLU 20 2HG GLU 20 -4.040 -15.521 8.019 120 H LEU 21 H LEU 21 -1.334 -14.030 3.967 121 HA LEU 21 HA LEU 21 -0.378 -11.368 4.461 122 HB3 LEU 21 2HB LEU 21 0.563 -13.410 2.381 123 HG LEU 21 HG LEU 21 1.413 -11.031 2.028 124 HD11 LEU 21 1HD1 LEU 21 3.033 -11.515 4.553 125 HD12 LEU 21 2HD1 LEU 21 1.591 -10.475 4.501 126 HD13 LEU 21 3HD1 LEU 21 3.000 -10.091 3.518 127 HD21 LEU 21 3HD2 LEU 21 3.762 -11.673 1.746 128 HD22 LEU 21 1HD2 LEU 21 2.661 -12.923 1.155 129 HD23 LEU 21 2HD2 LEU 21 3.498 -13.112 2.734 130 H ASN 22 H ASN 22 -1.911 -12.852 1.645 131 HA ASN 22 HA ASN 22 -1.392 -10.725 -0.179 132 HB3 ASN 22 2HB ASN 22 -3.530 -11.687 -1.318 133 HD21 ASN 22 1HD2 ASN 22 -2.330 -14.827 -0.917 134 HD22 ASN 22 2HD2 ASN 22 -0.957 -14.678 -1.951 135 H PHE 23 H PHE 23 -3.917 -11.211 2.244 136 HA PHE 23 HA PHE 23 -5.614 -9.062 1.349 137 HB3 PHE 23 2HB PHE 23 -5.396 -10.471 4.041 138 HD1 PHE 23 2HD PHE 23 -8.345 -9.477 1.990 139 HD2 PHE 23 1HD PHE 23 -6.001 -8.637 5.519 140 HE1 PHE 23 2HE PHE 23 -10.067 -7.888 2.749 141 HE2 PHE 23 1HE PHE 23 -7.762 -7.044 6.285 142 HZ PHE 23 HZ PHE 23 -9.736 -6.622 4.917 143 H LYS 24 H LYS 24 -3.343 -9.328 4.156 144 HA LYS 24 HA LYS 24 -3.578 -6.598 4.987 145 HB3 LYS 24 2HB LYS 24 -1.319 -6.990 6.050 146 HG3 LYS 24 2HG LYS 24 -1.848 -9.363 7.098 147 HD3 LYS 24 2HD LYS 24 -3.630 -6.960 7.651 148 HE3 LYS 24 2HE LYS 24 -2.916 -9.443 9.284 149 HZ1 LYS 24 3HZ LYS 24 -3.034 -7.548 10.729 150 HZ2 LYS 24 1HZ LYS 24 -4.366 -8.456 10.970 151 HZ3 LYS 24 2HZ LYS 24 -4.481 -7.061 10.130 152 H ALA 25 H ALA 25 -1.408 -8.111 2.603 153 HA ALA 25 HA ALA 25 0.119 -5.792 2.032 154 HB1 ALA 25 1HB ALA 25 0.802 -8.124 1.617 155 HB2 ALA 25 2HB ALA 25 -0.428 -8.261 0.337 156 HB3 ALA 25 3HB ALA 25 0.932 -7.127 0.165 157 H GLU 26 H GLU 26 -3.089 -6.853 0.802 158 HA GLU 26 HA GLU 26 -3.171 -5.306 -1.575 159 HB3 GLU 26 2HB GLU 26 -5.456 -6.218 0.215 160 HG3 GLU 26 2HG GLU 26 -6.551 -6.416 -2.140 161 H ALA 27 H ALA 27 -3.960 -4.557 1.762 162 HA ALA 27 HA ALA 27 -4.880 -1.864 1.120 163 HB1 ALA 27 1HB ALA 27 -5.038 -1.649 3.617 164 HB2 ALA 27 2HB ALA 27 -5.941 -2.995 2.937 165 HB3 ALA 27 3HB ALA 27 -4.387 -3.329 3.752 166 H ARG 28 H ARG 28 -1.924 -3.222 2.719 167 HA ARG 28 HA ARG 28 -0.698 -0.713 3.168 168 HB3 ARG 28 2HB ARG 28 1.516 -2.003 3.051 169 HG3 ARG 28 2HG ARG 28 0.091 -3.720 4.864 170 HD3 ARG 28 2HD ARG 28 1.527 -1.075 5.330 171 HE ARG 28 HE ARG 28 -0.145 -2.607 7.102 172 HH11 ARG 28 1HH1 ARG 28 2.942 -0.787 7.160 173 HH12 ARG 28 2HH1 ARG 28 2.761 -0.305 8.798 174 HH21 ARG 28 1HH2 ARG 28 -0.480 -1.768 9.175 175 HH22 ARG 28 2HH2 ARG 28 0.831 -0.982 10.013 176 H ARG 29 H ARG 29 -0.601 -2.667 0.150 177 HA ARG 29 HA ARG 29 1.282 -0.967 -1.111 178 HB3 ARG 29 2HB ARG 29 0.515 -3.303 -1.827 179 HG3 ARG 29 2HG ARG 29 -1.432 -1.872 -3.573 180 HD3 ARG 29 2HD ARG 29 -2.538 -4.031 -3.768 181 HE ARG 29 HE ARG 29 0.367 -4.673 -3.824 182 HH11 ARG 29 1HH1 ARG 29 -2.812 -5.064 -5.549 183 HH12 ARG 29 2HH1 ARG 29 -2.088 -6.265 -6.582 184 HH21 ARG 29 1HH2 ARG 29 1.128 -6.204 -5.182 185 HH22 ARG 29 2HH2 ARG 29 0.072 -7.048 -6.251 186 H ASN 30 H ASN 30 -2.264 -0.491 -0.732 187 HA ASN 30 HA ASN 30 -2.230 1.847 -2.477 188 HB3 ASN 30 2HB ASN 30 -4.330 0.357 -1.712 189 HD21 ASN 30 1HD2 ASN 30 -5.740 -0.059 -0.010 190 HD22 ASN 30 2HD2 ASN 30 -6.032 1.059 1.285 191 H ARG 31 H ARG 31 -2.211 1.292 1.082 192 HA ARG 31 HA ARG 31 -2.464 3.979 1.702 193 HB3 ARG 31 2HB ARG 31 -1.241 1.729 3.356 194 HG3 ARG 31 2HG ARG 31 -2.319 3.505 5.157 195 HD3 ARG 31 2HD ARG 31 0.228 4.421 5.239 196 HE ARG 31 HE ARG 31 -0.273 1.585 5.977 197 HH11 ARG 31 1HH1 ARG 31 -0.110 5.012 7.064 198 HH12 ARG 31 2HH1 ARG 31 -0.119 4.549 8.736 199 HH21 ARG 31 1HH2 ARG 31 -0.161 1.078 8.201 200 HH22 ARG 31 2HH2 ARG 31 -0.144 2.351 9.380 201 H LEU 32 H LEU 32 0.574 2.144 1.392 202 HA LEU 32 HA LEU 32 2.469 4.136 1.973 203 HB3 LEU 32 2HB LEU 32 3.655 2.912 -0.043 204 HG LEU 32 HG LEU 32 4.588 2.283 1.924 205 HD11 LEU 32 1HD1 LEU 32 3.798 0.864 3.597 206 HD12 LEU 32 2HD1 LEU 32 2.189 0.711 2.867 207 HD13 LEU 32 3HD1 LEU 32 2.732 2.292 3.514 208 HD21 LEU 32 3HD2 LEU 32 5.153 0.479 0.754 209 HD22 LEU 32 1HD2 LEU 32 3.512 0.063 0.234 210 HD23 LEU 32 2HD2 LEU 32 4.102 -0.446 1.808 211 H LEU 33 H LEU 33 0.740 3.479 -1.124 212 HA LEU 33 HA LEU 33 2.202 5.410 -2.626 213 HB3 LEU 33 2HB LEU 33 -0.500 4.184 -3.279 214 HG LEU 33 HG LEU 33 0.374 5.767 -4.957 215 HD11 LEU 33 1HD1 LEU 33 2.597 3.747 -5.345 216 HD12 LEU 33 2HD1 LEU 33 2.834 5.408 -4.683 217 HD13 LEU 33 3HD1 LEU 33 2.312 5.155 -6.356 218 HD21 LEU 33 3HD2 LEU 33 0.272 4.320 -6.886 219 HD22 LEU 33 1HD2 LEU 33 -0.992 3.906 -5.699 220 HD23 LEU 33 2HD2 LEU 33 0.478 2.885 -5.856 221 H GLY 34 H GLY 34 -0.941 5.441 -0.928 222 HA2 GLY 34 1HA GLY 34 -1.814 8.075 -1.633 223 HA3 GLY 34 2HA GLY 34 -2.214 7.178 -0.161 224 H GLU 35 H GLU 35 0.116 6.912 1.189 225 HA GLU 35 HA GLU 35 0.450 9.482 2.344 226 HB3 GLU 35 2HB GLU 35 2.178 8.401 3.754 227 HG3 GLU 35 2HG GLU 35 0.699 5.987 3.811 228 H TRP 36 H TRP 36 2.289 7.796 -0.176 229 HA TRP 36 HA TRP 36 4.606 9.446 -0.278 230 HB3 TRP 36 2HB TRP 36 3.112 7.932 -2.443 231 HD1 TRP 36 HD TRP 36 6.656 9.392 -1.940 232 HE1 TRP 36 1HE TRP 36 7.553 10.202 -4.172 233 HE3 TRP 36 3HE TRP 36 2.527 8.432 -4.926 234 HZ2 TRP 36 2HZ TRP 36 6.639 10.480 -6.857 235 HZ3 TRP 36 3HZ TRP 36 2.567 9.259 -7.283 236 HH2 TRP 36 HH TRP 36 4.617 10.213 -8.241 237 H ALA 37 H ALA 37 1.686 9.709 -2.380 238 HA ALA 37 HA ALA 37 2.545 12.208 -3.469 239 HB1 ALA 37 1HB ALA 37 -0.154 10.818 -3.429 240 HB2 ALA 37 2HB ALA 37 0.205 12.253 -4.411 241 HB3 ALA 37 3HB ALA 37 1.071 10.727 -4.695 242 H ALA 38 H ALA 38 0.189 11.511 -0.795 243 HA ALA 38 HA ALA 38 -0.568 14.203 -0.237 244 HB1 ALA 38 1HB ALA 38 -0.107 11.853 1.621 245 HB2 ALA 38 2HB ALA 38 -0.959 13.364 2.031 246 HB3 ALA 38 3HB ALA 38 -1.619 12.270 0.799 247 H GLY 39 H GLY 39 2.481 12.502 0.431 248 HA2 GLY 39 1HA GLY 39 3.824 14.368 2.103 249 HA3 GLY 39 2HA GLY 39 4.533 13.231 0.989 250 H LEU 40 H LEU 40 3.824 13.931 -1.404 251 HA LEU 40 HA LEU 40 5.673 15.998 -2.022 252 HB3 LEU 40 2HB LEU 40 4.776 15.567 -4.366 253 HG LEU 40 HG LEU 40 5.284 13.051 -2.712 254 HD11 LEU 40 1HD1 LEU 40 5.314 13.715 -5.725 255 HD12 LEU 40 2HD1 LEU 40 4.323 12.485 -4.915 256 HD13 LEU 40 3HD1 LEU 40 6.073 12.275 -5.064 257 HD21 LEU 40 3HD2 LEU 40 7.232 14.341 -2.447 258 HD22 LEU 40 1HD2 LEU 40 7.080 15.093 -4.040 259 HD23 LEU 40 2HD2 LEU 40 7.623 13.384 -3.875 260 H LEU 41 H LEU 41 2.197 15.857 -1.938 261 HA LEU 41 HA LEU 41 1.665 18.473 -3.086 262 HB3 LEU 41 2HB LEU 41 -0.648 17.973 -2.389 263 HG LEU 41 HG LEU 41 0.880 15.763 -3.840 264 HD11 LEU 41 1HD1 LEU 41 -1.084 14.473 -4.147 265 HD12 LEU 41 2HD1 LEU 41 -2.095 15.674 -3.312 266 HD13 LEU 41 3HD1 LEU 41 -0.923 14.699 -2.402 267 HD21 LEU 41 3HD2 LEU 41 0.169 17.787 -5.125 268 HD22 LEU 41 1HD2 LEU 41 -1.526 17.406 -4.680 269 HD23 LEU 41 2HD2 LEU 41 -0.622 16.281 -5.672 270 H GLY 42 H GLY 42 2.950 17.545 -0.069 271 HA2 GLY 42 1HA GLY 42 3.463 18.775 1.771 272 HA3 GLY 42 2HA GLY 42 2.855 20.205 0.936 273 H LYS 43 H LYS 43 0.982 17.241 1.854 274 HA LYS 43 HA LYS 43 -0.896 19.043 3.229 275 HB3 LYS 43 2HB LYS 43 -2.272 17.034 3.612 276 HG3 LYS 43 2HG LYS 43 -2.691 16.183 1.366 277 HD3 LYS 43 2HD LYS 43 -2.707 19.015 2.003 278 HE3 LYS 43 2HE LYS 43 -2.291 18.545 -0.962 279 HZ1 LYS 43 3HZ LYS 43 -1.466 20.834 -0.816 280 HZ2 LYS 43 1HZ LYS 43 -1.790 20.892 0.772 281 HZ3 LYS 43 2HZ LYS 43 -3.036 20.741 -0.296 282 H THR 44 H THR 44 -1.719 18.472 5.400 283 HA THR 44 HA THR 44 -0.126 17.100 7.338 284 HB THR 44 HB THR 44 -0.302 19.393 8.739 285 HG1 THR 44 1HG THR 44 -1.117 20.802 7.261 286 HG21 THR 44 3HG2 THR 44 1.991 19.898 8.178 287 HG22 THR 44 1HG2 THR 44 1.847 18.985 6.679 288 HG23 THR 44 2HG2 THR 44 1.769 18.131 8.235 289 H GLY 45 H GLY 45 -1.350 17.426 9.545 290 HA2 GLY 45 1HA GLY 45 -3.210 17.870 10.828 291 HA3 GLY 45 2HA GLY 45 -3.983 18.660 9.431 292 H ASP 46 H ASP 46 -5.598 17.545 8.386 293 HA ASP 46 HA ASP 46 -5.623 14.573 8.578 294 HB3 ASP 46 2HB ASP 46 -8.267 15.864 8.322 295 H ASP 47 H ASP 47 -5.431 17.318 6.614 296 HA ASP 47 HA ASP 47 -6.955 16.662 4.315 297 HB3 ASP 47 2HB ASP 47 -4.842 17.998 3.281 298 H ALA 48 H ALA 48 -3.885 15.507 5.532 299 HA ALA 48 HA ALA 48 -2.985 14.301 3.038 300 HB1 ALA 48 1HB ALA 48 -1.569 15.102 5.129 301 HB2 ALA 48 2HB ALA 48 -1.970 13.484 5.748 302 HB3 ALA 48 3HB ALA 48 -1.085 13.637 4.251 303 H ARG 49 H ARG 49 -4.744 13.325 5.978 304 HA ARG 49 HA ARG 49 -4.623 10.466 5.516 305 HB3 ARG 49 2HB ARG 49 -6.692 10.385 6.908 306 HG3 ARG 49 2HG ARG 49 -4.725 12.187 8.324 307 HD3 ARG 49 2HD ARG 49 -6.318 9.796 9.355 308 HE ARG 49 HE ARG 49 -6.075 12.230 10.889 309 HH11 ARG 49 1HH1 ARG 49 -4.433 9.205 10.136 310 HH12 ARG 49 2HH1 ARG 49 -3.598 9.076 11.651 311 HH21 ARG 49 1HH2 ARG 49 -4.794 12.256 12.771 312 HH22 ARG 49 2HH2 ARG 49 -3.679 10.964 13.144 313 H ALA 50 H ALA 50 -7.158 12.941 4.891 314 HA ALA 50 HA ALA 50 -9.045 11.479 3.549 315 HB1 ALA 50 1HB ALA 50 -9.523 13.620 2.301 316 HB2 ALA 50 2HB ALA 50 -9.339 13.844 4.048 317 HB3 ALA 50 3HB ALA 50 -8.021 14.292 2.952 318 H TYR 51 H TYR 51 -6.185 13.018 2.072 319 HA TYR 51 HA TYR 51 -6.515 12.119 -0.550 320 HB3 TYR 51 2HB TYR 51 -3.902 12.563 0.947 321 HD1 TYR 51 1HD TYR 51 -2.921 10.858 -0.721 322 HD2 TYR 51 2HD TYR 51 -4.923 14.491 -1.959 323 HE1 TYR 51 1HE TYR 51 -2.219 10.464 -3.020 324 HE2 TYR 51 2HE TYR 51 -3.818 14.331 -4.167 325 HH TYR 51 HH TYR 51 -3.236 12.659 -5.633 326 H ALA 52 H ALA 52 -4.793 10.439 2.124 327 HA ALA 52 HA ALA 52 -4.033 8.191 0.422 328 HB1 ALA 52 1HB ALA 52 -2.696 8.777 2.419 329 HB2 ALA 52 2HB ALA 52 -4.109 8.464 3.463 330 HB3 ALA 52 3HB ALA 52 -3.351 7.129 2.557 331 H LEU 53 H LEU 53 -7.016 9.123 1.756 332 HA LEU 53 HA LEU 53 -8.083 6.330 1.800 333 HB3 LEU 53 2HB LEU 53 -9.714 7.362 3.456 334 HG LEU 53 HG LEU 53 -6.764 7.360 4.186 335 HD11 LEU 53 1HD1 LEU 53 -8.062 8.938 5.661 336 HD12 LEU 53 2HD1 LEU 53 -7.302 7.578 6.492 337 HD13 LEU 53 3HD1 LEU 53 -9.043 7.548 6.179 338 HD21 LEU 53 3HD2 LEU 53 -9.070 5.470 4.813 339 HD22 LEU 53 1HD2 LEU 53 -7.403 5.291 5.407 340 HD23 LEU 53 2HD2 LEU 53 -7.724 5.167 3.669 341 H THR 54 H THR 54 -7.776 7.546 -0.563 342 HA THR 54 HA THR 54 -10.609 8.001 -1.346 343 HB THR 54 HB THR 54 -9.065 10.047 -1.108 344 HG1 THR 54 1HG THR 54 -10.312 11.000 -2.327 345 HG21 THR 54 3HG2 THR 54 -8.142 9.377 -3.897 346 HG22 THR 54 1HG2 THR 54 -7.177 8.926 -2.493 347 HG23 THR 54 2HG2 THR 54 -7.562 10.640 -2.794 348 H VAL 55 H VAL 55 -8.032 5.883 -1.628 349 HA VAL 55 HA VAL 55 -8.998 4.800 -4.165 350 HB VAL 55 HB VAL 55 -6.645 4.161 -4.507 351 HG11 VAL 55 1HG1 VAL 55 -7.126 7.158 -4.636 352 HG12 VAL 55 2HG1 VAL 55 -6.009 6.204 -5.641 353 HG13 VAL 55 3HG1 VAL 55 -7.758 5.954 -5.801 354 HG21 VAL 55 3HG2 VAL 55 -4.817 5.451 -3.532 355 HG22 VAL 55 1HG2 VAL 55 -5.957 6.386 -2.562 356 HG23 VAL 55 2HG2 VAL 55 -5.720 4.657 -2.242 357 H VAL 56 H VAL 56 -10.093 4.023 -1.809 358 HA VAL 56 HA VAL 56 -8.897 1.369 -1.224 359 HB VAL 56 HB VAL 56 -9.917 3.061 1.094 360 HG11 VAL 56 1HG1 VAL 56 -8.285 0.510 0.743 361 HG12 VAL 56 2HG1 VAL 56 -8.358 1.374 2.272 362 HG13 VAL 56 3HG1 VAL 56 -9.840 0.748 1.547 363 HG21 VAL 56 3HG2 VAL 56 -8.117 4.428 0.378 364 HG22 VAL 56 1HG2 VAL 56 -7.496 3.441 1.705 365 HG23 VAL 56 2HG2 VAL 56 -7.092 3.016 0.027 366 H THR 57 H THR 57 -10.998 2.262 -2.915 367 HA THR 57 HA THR 57 -13.375 0.933 -2.450 368 HB THR 57 HB THR 57 -13.115 3.726 -1.490 369 HG1 THR 57 1HG THR 57 -13.143 1.856 -0.033 370 HG21 THR 57 3HG2 THR 57 -15.155 3.586 -3.102 371 HG22 THR 57 1HG2 THR 57 -15.521 4.176 -1.499 372 HG23 THR 57 2HG2 THR 57 -15.876 2.495 -1.899 373 H SER 58 H SER 58 -12.541 0.618 -4.354 374 HA SER 58 HA SER 58 -13.569 2.621 -6.396 375 HB3 SER 58 2HB SER 58 -12.448 1.449 -8.156 376 HG SER 58 HG SER 58 -10.193 1.595 -6.784 377 H ASP 59 H ASP 59 -13.416 -0.923 -6.887 378 HA ASP 59 HA ASP 59 -15.981 -1.440 -5.644 379 HB3 ASP 59 2HB ASP 59 -15.792 -1.725 -8.671 380 H PHE 60 H PHE 60 -13.684 -2.589 -8.159 381 HA PHE 60 HA PHE 60 -13.458 -5.204 -6.743 382 HB3 PHE 60 2HB PHE 60 -13.254 -5.434 -9.656 383 HD1 PHE 60 1HD PHE 60 -12.600 -7.724 -8.833 384 HD2 PHE 60 2HD PHE 60 -16.419 -5.948 -7.884 385 HE1 PHE 60 1HE PHE 60 -13.402 -9.900 -7.954 386 HE2 PHE 60 2HE PHE 60 -17.203 -8.109 -6.964 387 HZ PHE 60 HZ PHE 60 -15.679 -10.092 -6.961 388 H ASP 61 H ASP 61 -11.756 -2.634 -8.229 389 HA ASP 61 HA ASP 61 -9.627 -2.016 -8.159 390 HB3 ASP 61 2HB ASP 61 -8.928 -4.603 -6.737 391 H GLU 62 H GLU 62 -9.773 -5.433 -9.009 392 HA GLU 62 HA GLU 62 -9.085 -6.663 -10.763 393 HB3 GLU 62 2HB GLU 62 -9.133 -5.253 -13.017 394 HG3 GLU 62 2HG GLU 62 -11.663 -5.065 -12.742 395 HA PRO 63 HA PRO 63 -4.735 -6.497 -11.628 396 HB3 PRO 63 2HB PRO 63 -4.910 -8.631 -12.536 397 HG3 PRO 63 2HG PRO 63 -6.699 -9.200 -14.022 398 HD3 PRO 63 2HD PRO 63 -7.752 -8.373 -12.069 399 H GLY 64 H GLY 64 -3.077 -5.706 -13.272 400 HA2 GLY 64 1HA GLY 64 -2.319 -4.278 -14.934 401 HA3 GLY 64 2HA GLY 64 -3.983 -3.885 -15.367 402 H ASP 65 H ASP 65 -5.132 -2.754 -13.353 403 HA ASP 65 HA ASP 65 -5.479 -0.672 -12.552 404 HB3 ASP 65 2HB ASP 65 -2.861 -1.056 -11.071 405 H GLU 66 H GLU 66 -4.672 -0.418 -15.019 406 HA GLU 66 HA GLU 66 -2.482 1.467 -15.391 407 HB3 GLU 66 2HB GLU 66 -3.723 1.543 -17.727 408 HG3 GLU 66 2HG GLU 66 -2.986 -1.229 -17.558 409 H ASP 67 H ASP 67 -5.700 1.837 -14.298 410 HA ASP 67 HA ASP 67 -6.154 4.394 -15.673 411 HB3 ASP 67 2HB ASP 67 -8.045 3.530 -13.531 412 H VAL 68 H VAL 68 -5.375 3.279 -12.395 413 HA VAL 68 HA VAL 68 -5.719 5.721 -11.009 414 HB VAL 68 HB VAL 68 -4.111 3.193 -10.565 415 HG11 VAL 68 1HG1 VAL 68 -2.875 4.962 -9.322 416 HG12 VAL 68 2HG1 VAL 68 -4.397 5.445 -8.533 417 HG13 VAL 68 3HG1 VAL 68 -3.699 3.836 -8.246 418 HG21 VAL 68 3HG2 VAL 68 -6.565 4.397 -9.203 419 HG22 VAL 68 1HG2 VAL 68 -6.591 3.089 -10.401 420 HG23 VAL 68 2HG2 VAL 68 -5.813 2.822 -8.835 421 H PHE 69 H PHE 69 -3.023 4.534 -13.065 422 HA PHE 69 HA PHE 69 -1.060 6.429 -12.417 423 HB3 PHE 69 2HB PHE 69 -1.875 5.336 -15.134 424 HD1 PHE 69 2HD PHE 69 1.593 5.980 -13.744 425 HD2 PHE 69 1HD PHE 69 -1.466 7.283 -16.554 426 HE1 PHE 69 2HE PHE 69 3.136 7.537 -14.756 427 HE2 PHE 69 1HE PHE 69 0.164 8.802 -17.585 428 HZ PHE 69 HZ PHE 69 2.457 8.991 -16.678 429 H ARG 70 H ARG 70 -3.738 6.843 -14.839 430 HA ARG 70 HA ARG 70 -3.092 9.563 -15.325 431 HB3 ARG 70 2HB ARG 70 -5.888 8.417 -15.698 432 HG3 ARG 70 2HG ARG 70 -5.253 9.406 -18.070 433 HD3 ARG 70 2HD ARG 70 -5.609 11.857 -16.767 434 HE ARG 70 HE ARG 70 -6.952 10.413 -18.616 435 HH11 ARG 70 1HH1 ARG 70 -7.987 12.193 -15.743 436 HH12 ARG 70 2HH1 ARG 70 -9.660 12.277 -16.234 437 HH21 ARG 70 1HH2 ARG 70 -9.112 10.521 -19.276 438 HH22 ARG 70 2HH2 ARG 70 -10.203 11.600 -18.440 439 H LYS 71 H LYS 71 -4.829 8.152 -12.689 440 HA LYS 71 HA LYS 71 -6.299 10.591 -11.998 441 HB3 LYS 71 2HB LYS 71 -5.834 8.423 -9.966 442 HG3 LYS 71 2HG LYS 71 -8.391 9.726 -10.974 443 HD3 LYS 71 2HD LYS 71 -8.510 7.730 -9.350 444 HE3 LYS 71 2HE LYS 71 -7.157 9.847 -7.689 445 HZ1 LYS 71 3HZ LYS 71 -9.172 7.962 -6.635 446 HZ2 LYS 71 1HZ LYS 71 -9.161 9.580 -6.519 447 HZ3 LYS 71 2HZ LYS 71 -8.017 8.728 -5.720 448 H LEU 72 H LEU 72 -3.255 8.982 -11.107 449 HA LEU 72 HA LEU 72 -2.694 10.996 -9.036 450 HB3 LEU 72 2HB LEU 72 -0.448 9.536 -9.102 451 HG LEU 72 HG LEU 72 -1.478 7.771 -7.686 452 HD11 LEU 72 1HD1 LEU 72 -2.107 9.345 -5.865 453 HD12 LEU 72 2HD1 LEU 72 -2.205 10.640 -7.064 454 HD13 LEU 72 3HD1 LEU 72 -0.652 9.842 -6.762 455 HD21 LEU 72 3HD2 LEU 72 -4.115 9.216 -8.019 456 HD22 LEU 72 1HD2 LEU 72 -3.778 7.821 -6.978 457 HD23 LEU 72 2HD2 LEU 72 -3.732 7.650 -8.744 458 H ALA 73 H ALA 73 -1.656 10.261 -12.355 459 HA ALA 73 HA ALA 73 0.441 12.186 -12.475 460 HB1 ALA 73 1HB ALA 73 0.168 10.415 -14.158 461 HB2 ALA 73 2HB ALA 73 -1.419 11.069 -14.616 462 HB3 ALA 73 3HB ALA 73 0.053 12.008 -14.931 463 H ALA 74 H ALA 74 -3.037 12.594 -12.368 464 HA ALA 74 HA ALA 74 -3.012 15.354 -13.296 465 HB1 ALA 74 1HB ALA 74 -5.074 13.974 -13.059 466 HB2 ALA 74 2HB ALA 74 -4.907 14.025 -11.294 467 HB3 ALA 74 3HB ALA 74 -5.183 15.520 -12.214 468 H ASP 75 H ASP 75 -2.850 13.787 -10.094 469 HA ASP 75 HA ASP 75 -2.746 16.183 -8.549 470 HB3 ASP 75 2HB ASP 75 -1.500 14.236 -7.006 471 H LEU 76 H LEU 76 -0.072 13.844 -9.390 472 HA LEU 76 HA LEU 76 1.872 15.750 -8.412 473 HB3 LEU 76 2HB LEU 76 3.498 14.044 -8.981 474 HG LEU 76 HG LEU 76 3.147 12.493 -7.431 475 HD11 LEU 76 1HD1 LEU 76 1.083 14.514 -6.493 476 HD12 LEU 76 2HD1 LEU 76 2.844 14.717 -6.353 477 HD13 LEU 76 3HD1 LEU 76 2.033 13.409 -5.489 478 HD21 LEU 76 3HD2 LEU 76 1.289 11.440 -8.615 479 HD22 LEU 76 1HD2 LEU 76 0.167 12.517 -7.743 480 HD23 LEU 76 2HD2 LEU 76 1.182 11.364 -6.849 481 H GLU 77 H GLU 77 0.232 16.187 -11.134 482 HA GLU 77 HA GLU 77 2.140 16.447 -13.202 483 HB3 GLU 77 2HB GLU 77 -0.148 18.346 -12.522 484 HG3 GLU 77 2HG GLU 77 1.691 18.571 -14.580 485 H GLY 78 H GLY 78 4.146 17.395 -12.839 486 HA2 GLY 78 1HA GLY 78 5.490 19.297 -12.609 487 HA3 GLY 78 2HA GLY 78 4.234 20.066 -11.629 488 H LYS 79 H LYS 79 4.630 16.965 -10.492 489 HA LYS 79 HA LYS 79 6.543 17.842 -8.366 490 HB3 LYS 79 2HB LYS 79 5.297 16.843 -6.671 491 HG3 LYS 79 2HG LYS 79 2.899 17.461 -6.766 492 HD3 LYS 79 2HD LYS 79 3.297 19.861 -7.937 493 HE3 LYS 79 2HE LYS 79 4.434 19.015 -5.241 494 HZ1 LYS 79 3HZ LYS 79 3.963 21.722 -6.331 495 HZ2 LYS 79 1HZ LYS 79 5.405 21.016 -5.910 496 HZ3 LYS 79 2HZ LYS 79 4.304 21.355 -4.745 497 H ALA 80 H ALA 80 4.974 15.001 -9.947 498 HA ALA 80 HA ALA 80 7.585 13.592 -9.922 499 HB1 ALA 80 1HB ALA 80 6.461 13.037 -7.747 500 HB2 ALA 80 2HB ALA 80 5.075 12.413 -8.673 501 HB3 ALA 80 3HB ALA 80 6.660 11.648 -8.848 502 H ASP 81 H ASP 81 7.806 12.942 -11.930 503 HA ASP 81 HA ASP 81 5.647 13.089 -13.818 504 HB3 ASP 81 2HB ASP 81 7.440 12.474 -15.432 505 H GLU 82 H GLU 82 5.727 11.303 -15.589 506 HA GLU 82 HA GLU 82 4.441 9.066 -14.845 507 HB3 GLU 82 2HB GLU 82 6.360 9.634 -17.120 508 HG3 GLU 82 2HG GLU 82 4.285 7.411 -17.210 509 H GLU 83 H GLU 83 7.864 9.381 -15.362 510 HA GLU 83 HA GLU 83 8.756 6.748 -15.052 511 HB3 GLU 83 2HB GLU 83 10.078 9.459 -14.615 512 HG3 GLU 83 2HG GLU 83 11.399 6.785 -15.239 513 H THR 84 H THR 84 7.726 9.001 -12.621 514 HA THR 84 HA THR 84 9.069 7.458 -10.471 515 HB THR 84 HB THR 84 7.737 10.189 -10.406 516 HG1 THR 84 1HG THR 84 10.441 10.099 -10.023 517 HG21 THR 84 3HG2 THR 84 9.518 8.724 -8.401 518 HG22 THR 84 1HG2 THR 84 7.778 9.055 -8.233 519 HG23 THR 84 2HG2 THR 84 8.934 10.399 -8.263 520 H ILE 85 H ILE 85 5.828 8.893 -11.366 521 HA ILE 85 HA ILE 85 4.270 7.753 -9.389 522 HB ILE 85 HB ILE 85 3.723 8.054 -12.340 523 HG13 ILE 85 2HG1 ILE 85 4.365 10.170 -10.926 524 HG21 ILE 85 1HG2 ILE 85 1.977 6.579 -11.282 525 HG22 ILE 85 2HG2 ILE 85 1.682 7.838 -10.056 526 HG23 ILE 85 3HG2 ILE 85 1.272 8.109 -11.761 527 HD11 ILE 85 3HD1 ILE 85 2.632 11.597 -11.889 528 HD12 ILE 85 1HD1 ILE 85 3.168 10.400 -13.087 529 HD13 ILE 85 2HD1 ILE 85 1.619 10.198 -12.238 530 H ARG 86 H ARG 86 4.973 6.193 -12.592 531 HA ARG 86 HA ARG 86 3.567 3.770 -11.861 532 HB3 ARG 86 2HB ARG 86 4.905 2.786 -13.818 533 HG3 ARG 86 2HG ARG 86 3.659 5.425 -14.494 534 HD3 ARG 86 2HD ARG 86 4.617 3.722 -16.281 535 HE ARG 86 HE ARG 86 2.829 2.005 -15.302 536 HH11 ARG 86 1HH1 ARG 86 2.636 3.814 -18.432 537 HH12 ARG 86 2HH1 ARG 86 1.417 2.782 -19.024 538 HH21 ARG 86 1HH2 ARG 86 1.082 0.818 -16.100 539 HH22 ARG 86 2HH2 ARG 86 0.387 1.204 -17.660 540 H ALA 87 H ALA 87 6.791 4.972 -11.351 541 HA ALA 87 HA ALA 87 8.009 2.399 -10.715 542 HB1 ALA 87 1HB ALA 87 8.999 5.128 -9.827 543 HB2 ALA 87 2HB ALA 87 9.878 3.598 -9.754 544 HB3 ALA 87 3HB ALA 87 9.454 4.281 -11.321 545 H LYS 88 H LYS 88 6.610 4.993 -8.744 546 HA LYS 88 HA LYS 88 6.839 3.644 -6.217 547 HB3 LYS 88 2HB LYS 88 4.970 5.145 -5.508 548 HG3 LYS 88 2HG LYS 88 5.966 7.295 -5.952 549 HD3 LYS 88 2HD LYS 88 7.485 5.517 -4.658 550 HE3 LYS 88 2HE LYS 88 9.175 6.383 -7.081 551 HZ1 LYS 88 3HZ LYS 88 10.626 4.616 -6.091 552 HZ2 LYS 88 1HZ LYS 88 9.799 4.786 -4.684 553 HZ3 LYS 88 2HZ LYS 88 10.650 6.051 -5.288 554 H MET 89 H MET 89 4.145 3.687 -8.644 555 HA MET 89 HA MET 89 2.441 2.059 -7.107 556 HB3 MET 89 2HB MET 89 2.736 2.242 -10.112 557 HG3 MET 89 2HG MET 89 0.504 1.120 -8.349 558 HE1 MET 89 3HE MET 89 -1.664 2.161 -9.185 559 HE2 MET 89 1HE MET 89 -0.698 3.373 -10.041 560 HE3 MET 89 2HE MET 89 -2.008 2.530 -10.884 561 H VAL 90 H VAL 90 4.954 1.005 -9.503 562 HA VAL 90 HA VAL 90 4.506 -1.776 -9.180 563 HB VAL 90 HB VAL 90 6.909 -0.168 -10.129 564 HG11 VAL 90 1HG1 VAL 90 6.374 -3.172 -10.405 565 HG12 VAL 90 2HG1 VAL 90 7.639 -2.253 -11.250 566 HG13 VAL 90 3HG1 VAL 90 7.707 -2.409 -9.501 567 HG21 VAL 90 3HG2 VAL 90 4.790 -1.707 -11.715 568 HG22 VAL 90 1HG2 VAL 90 4.769 0.034 -11.486 569 HG23 VAL 90 2HG2 VAL 90 6.101 -0.706 -12.360 570 H GLU 91 H GLU 91 7.109 0.292 -7.704 571 HA GLU 91 HA GLU 91 8.067 -1.830 -6.033 572 HB3 GLU 91 2HB GLU 91 8.717 1.144 -6.044 573 HG3 GLU 91 2HG GLU 91 9.896 -1.196 -4.648 574 H LEU 92 H LEU 92 5.275 -0.714 -5.677 575 HA LEU 92 HA LEU 92 5.349 -0.883 -2.714 576 HB3 LEU 92 2HB LEU 92 3.268 0.577 -2.702 577 HG LEU 92 HG LEU 92 5.830 1.922 -3.818 578 HD11 LEU 92 1HD1 LEU 92 4.979 3.934 -2.491 579 HD12 LEU 92 2HD1 LEU 92 3.421 3.072 -2.399 580 HD13 LEU 92 3HD1 LEU 92 4.140 3.506 -3.962 581 HD21 LEU 92 3HD2 LEU 92 6.389 0.722 -1.741 582 HD22 LEU 92 1HD2 LEU 92 5.164 1.704 -0.920 583 HD23 LEU 92 2HD2 LEU 92 6.583 2.461 -1.651 584 H ARG 93 H ARG 93 3.637 -1.467 -5.772 585 HA ARG 93 HA ARG 93 1.682 -3.321 -4.781 586 HB3 ARG 93 2HB ARG 93 2.066 -4.237 -7.263 587 HG3 ARG 93 2HG ARG 93 0.062 -3.279 -7.301 588 HD3 ARG 93 2HD ARG 93 1.035 -0.612 -6.150 589 HE ARG 93 HE ARG 93 -0.892 0.010 -7.428 590 HH11 ARG 93 1HH1 ARG 93 -1.609 -2.921 -5.604 591 HH12 ARG 93 2HH1 ARG 93 -3.320 -2.846 -5.894 592 HH21 ARG 93 1HH2 ARG 93 -3.234 -0.028 -7.993 593 HH22 ARG 93 2HH2 ARG 93 -4.215 -1.150 -7.179 594 H ALA 94 H ALA 94 5.099 -3.834 -5.875 595 HA ALA 94 HA ALA 94 4.841 -6.732 -5.390 596 HB1 ALA 94 1HB ALA 94 7.222 -6.731 -6.140 597 HB2 ALA 94 2HB ALA 94 6.258 -5.744 -7.261 598 HB3 ALA 94 3HB ALA 94 7.270 -4.965 -6.038 599 H THR 95 H THR 95 5.422 -4.156 -3.379 600 HA THR 95 HA THR 95 7.718 -5.422 -1.999 601 HB THR 95 HB THR 95 6.703 -2.601 -2.393 602 HG1 THR 95 1HG THR 95 8.747 -3.992 -3.763 603 HG21 THR 95 3HG2 THR 95 8.813 -1.715 -1.590 604 HG22 THR 95 1HG2 THR 95 9.513 -3.346 -1.443 605 HG23 THR 95 2HG2 THR 95 8.211 -2.818 -0.362 606 H ALA 96 H ALA 96 4.679 -3.616 -1.480 607 HA ALA 96 HA ALA 96 4.417 -3.784 1.280 608 HB1 ALA 96 1HB ALA 96 2.317 -3.885 -0.869 609 HB2 ALA 96 2HB ALA 96 2.033 -3.476 0.835 610 HB3 ALA 96 3HB ALA 96 3.038 -2.407 -0.167 611 H ARG 97 H ARG 97 4.610 -6.510 -0.831 612 HA ARG 97 HA ARG 97 3.062 -8.191 1.040 613 HB3 ARG 97 2HB ARG 97 4.814 -9.808 -0.545 614 HG3 ARG 97 2HG ARG 97 1.876 -9.158 -1.018 615 HD3 ARG 97 2HD ARG 97 1.737 -11.667 -1.268 616 HE ARG 97 HE ARG 97 2.834 -9.856 -3.224 617 HH11 ARG 97 1HH1 ARG 97 1.731 -13.218 -2.704 618 HH12 ARG 97 2HH1 ARG 97 1.540 -13.548 -4.396 619 HH21 ARG 97 1HH2 ARG 97 2.826 -10.404 -5.379 620 HH22 ARG 97 2HH2 ARG 97 1.971 -11.819 -5.961 621 H GLU 98 H GLU 98 6.583 -7.914 0.163 622 HA GLU 98 HA GLU 98 7.546 -9.480 2.273 623 HB3 GLU 98 2HB GLU 98 9.424 -7.429 1.538 624 HG3 GLU 98 2HG GLU 98 8.920 -10.298 0.793 625 H GLN 99 H GLN 99 7.190 -5.896 2.030 626 HA GLN 99 HA GLN 99 8.040 -4.983 4.318 627 HB3 GLN 99 2HB GLN 99 5.482 -3.751 3.862 628 HG3 GLN 99 2HG GLN 99 8.083 -2.924 2.573 629 HE21 GLN 99 1HE2 GLN 99 7.966 -0.791 1.866 630 HE22 GLN 99 2HE2 GLN 99 6.591 0.233 2.075 631 H ILE 100 H ILE 100 5.132 -7.030 4.151 632 HA ILE 100 HA ILE 100 3.822 -6.004 6.460 633 HB ILE 100 HB ILE 100 3.846 -8.776 5.220 634 HG13 ILE 100 2HG1 ILE 100 1.615 -8.155 4.301 635 HG21 ILE 100 1HG2 ILE 100 2.051 -7.754 7.444 636 HG22 ILE 100 2HG2 ILE 100 1.669 -9.177 6.451 637 HG23 ILE 100 3HG2 ILE 100 3.128 -9.173 7.452 638 HD11 ILE 100 3HD1 ILE 100 2.165 -5.303 5.204 639 HD12 ILE 100 1HD1 ILE 100 0.817 -5.900 4.236 640 HD13 ILE 100 2HD1 ILE 100 0.940 -6.367 5.937 641 H ILE 101 H ILE 101 6.169 -8.749 6.199 642 HA ILE 101 HA ILE 101 6.114 -9.013 9.116 643 HB ILE 101 HB ILE 101 7.694 -10.428 6.938 644 HG13 ILE 101 2HG1 ILE 101 6.040 -12.091 6.895 645 HG21 ILE 101 1HG2 ILE 101 7.379 -10.988 9.914 646 HG22 ILE 101 2HG2 ILE 101 7.861 -12.257 8.773 647 HG23 ILE 101 3HG2 ILE 101 8.857 -10.808 8.970 648 HD11 ILE 101 3HD1 ILE 101 5.324 -12.435 9.185 649 HD12 ILE 101 1HD1 ILE 101 4.763 -10.747 9.319 650 HD13 ILE 101 2HD1 ILE 101 3.909 -11.868 8.274 651 H SER 102 H SER 102 8.197 -7.626 6.674 652 HA SER 102 HA SER 102 10.489 -7.025 8.273 653 HB3 SER 102 2HB SER 102 9.000 -5.649 6.040 654 HG SER 102 HG SER 102 11.708 -5.153 6.587 655 H GLU 103 H GLU 103 7.252 -5.468 8.022 656 HA GLU 103 HA GLU 103 7.904 -3.307 9.783 657 HB3 GLU 103 2HB GLU 103 5.382 -4.380 8.489 658 HG3 GLU 103 2HG GLU 103 4.704 -3.120 10.490 659 H ILE 104 H ILE 104 6.453 -6.529 10.329 660 HA ILE 104 HA ILE 104 5.415 -5.847 12.987 661 HB ILE 104 HB ILE 104 6.183 -8.622 11.944 662 HG13 ILE 104 2HG1 ILE 104 4.574 -7.866 10.411 663 HG21 ILE 104 1HG2 ILE 104 4.089 -7.973 14.068 664 HG22 ILE 104 2HG2 ILE 104 4.904 -9.529 13.720 665 HG23 ILE 104 3HG2 ILE 104 5.786 -8.240 14.468 666 HD11 ILE 104 3HD1 ILE 104 2.742 -9.324 12.277 667 HD12 ILE 104 1HD1 ILE 104 2.834 -9.391 10.509 668 HD13 ILE 104 2HD1 ILE 104 4.107 -10.145 11.467 Start of MODEL 17 1 H1 MET 1 H MET 1 -8.742 -14.287 18.261 2 HA MET 1 HA MET 1 -10.272 -16.132 18.766 3 HB3 MET 1 2HB MET 1 -8.966 -17.471 16.365 4 HG3 MET 1 2HG MET 1 -11.180 -18.383 18.250 5 HE1 MET 1 3HE MET 1 -11.389 -22.114 17.083 6 HE2 MET 1 1HE MET 1 -10.166 -21.458 18.196 7 HE3 MET 1 2HE MET 1 -11.856 -20.921 18.320 8 H THR 2 H THR 2 -6.889 -16.772 17.427 9 HA THR 2 HA THR 2 -5.975 -16.666 20.158 10 HB THR 2 HB THR 2 -6.112 -19.030 19.904 11 HG1 THR 2 1HG THR 2 -4.152 -19.194 20.616 12 HG21 THR 2 3HG2 THR 2 -4.942 -20.260 18.071 13 HG22 THR 2 1HG2 THR 2 -4.682 -18.725 17.218 14 HG23 THR 2 2HG2 THR 2 -6.329 -19.347 17.483 15 H THR 3 H THR 3 -3.693 -16.172 20.105 16 HA THR 3 HA THR 3 -1.972 -16.010 18.064 17 HB THR 3 HB THR 3 -1.439 -13.432 18.372 18 HG1 THR 3 1HG THR 3 -4.022 -13.663 19.213 19 HG21 THR 3 3HG2 THR 3 -2.335 -12.804 16.323 20 HG22 THR 3 1HG2 THR 3 -3.642 -13.979 16.386 21 HG23 THR 3 2HG2 THR 3 -1.967 -14.529 16.168 22 H PHE 4 H PHE 4 0.229 -15.332 19.105 23 HA PHE 4 HA PHE 4 1.709 -15.107 20.698 24 HB3 PHE 4 2HB PHE 4 1.156 -14.147 22.930 25 HD1 PHE 4 2HD PHE 4 -0.904 -12.453 20.291 26 HD2 PHE 4 1HD PHE 4 2.782 -12.532 22.517 27 HE1 PHE 4 2HE PHE 4 -0.275 -10.243 19.343 28 HE2 PHE 4 1HE PHE 4 3.352 -10.293 21.656 29 HZ PHE 4 HZ PHE 4 1.804 -9.123 20.102 30 H ASP 5 H ASP 5 1.445 -17.397 20.254 31 HA ASP 5 HA ASP 5 1.853 -18.635 22.882 32 HB3 ASP 5 2HB ASP 5 1.181 -20.810 22.292 33 H ASP 6 H ASP 6 2.222 -19.410 19.386 34 HA ASP 6 HA ASP 6 5.124 -19.869 19.746 35 HB3 ASP 6 2HB ASP 6 4.717 -21.268 17.599 36 H ARG 7 H ARG 7 6.348 -19.769 17.599 37 HA ARG 7 HA ARG 7 5.550 -17.402 15.987 38 HB3 ARG 7 2HB ARG 7 7.838 -17.666 14.955 39 HG3 ARG 7 2HG ARG 7 7.762 -17.533 18.002 40 HD3 ARG 7 2HD ARG 7 9.984 -16.627 16.135 41 HE ARG 7 HE ARG 7 9.299 -15.847 18.732 42 HH11 ARG 7 1HH1 ARG 7 12.238 -17.321 17.327 43 HH12 ARG 7 2HH1 ARG 7 13.234 -16.750 18.650 44 HH21 ARG 7 1HH2 ARG 7 10.584 -15.111 20.293 45 HH22 ARG 7 2HH2 ARG 7 12.278 -15.460 20.393 46 H GLU 8 H GLU 8 4.957 -20.569 15.952 47 HA GLU 8 HA GLU 8 5.661 -21.150 13.236 48 HB3 GLU 8 2HB GLU 8 5.691 -22.949 14.773 49 HG3 GLU 8 2HG GLU 8 2.776 -22.344 14.942 50 H ARG 9 H ARG 9 2.486 -20.176 14.525 51 HA ARG 9 HA ARG 9 1.659 -19.668 11.717 52 HB3 ARG 9 2HB ARG 9 -0.548 -20.728 12.138 53 HG3 ARG 9 2HG ARG 9 -0.028 -23.077 11.923 54 HD3 ARG 9 2HD ARG 9 2.398 -22.326 10.496 55 HE ARG 9 HE ARG 9 0.539 -23.989 9.796 56 HH11 ARG 9 1HH1 ARG 9 1.753 -21.126 8.183 57 HH12 ARG 9 2HH1 ARG 9 0.662 -21.198 6.817 58 HH21 ARG 9 1HH2 ARG 9 -0.368 -24.488 7.732 59 HH22 ARG 9 2HH2 ARG 9 -0.245 -23.360 6.431 60 H ALA 10 H ALA 10 2.458 -17.628 13.298 61 HA ALA 10 HA ALA 10 -0.105 -16.285 13.856 62 HB1 ALA 10 1HB ALA 10 2.006 -16.685 15.990 63 HB2 ALA 10 2HB ALA 10 0.640 -15.539 16.097 64 HB3 ALA 10 3HB ALA 10 0.340 -17.286 16.007 65 H HIS 11 H HIS 11 3.105 -15.447 15.023 66 HA HIS 11 HA HIS 11 3.255 -13.179 13.178 67 HB3 HIS 11 2HB HIS 11 5.192 -12.502 14.417 68 HD1 HIS 11 1HD HIS 11 3.941 -10.980 16.270 69 HD2 HIS 11 2HD HIS 11 3.789 -15.150 16.928 70 HE1 HIS 11 1HE HIS 11 2.880 -11.323 18.542 71 H GLU 12 H GLU 12 5.512 -13.069 12.099 72 HA GLU 12 HA GLU 12 6.745 -13.607 10.372 73 HB3 GLU 12 2HB GLU 12 8.172 -15.744 11.726 74 HG3 GLU 12 2HG GLU 12 9.015 -12.953 12.212 75 H ALA 13 H ALA 13 4.643 -16.060 10.772 76 HA ALA 13 HA ALA 13 5.640 -17.675 8.486 77 HB1 ALA 13 1HB ALA 13 5.948 -18.768 10.646 78 HB2 ALA 13 2HB ALA 13 4.254 -18.477 11.069 79 HB3 ALA 13 3HB ALA 13 4.666 -19.567 9.730 80 H LYS 14 H LYS 14 2.703 -16.752 10.397 81 HA LYS 14 HA LYS 14 0.679 -17.501 8.651 82 HB3 LYS 14 2HB LYS 14 0.712 -14.822 10.103 83 HG3 LYS 14 2HG LYS 14 -1.503 -16.858 9.631 84 HD3 LYS 14 2HD LYS 14 -2.956 -14.908 10.486 85 HE3 LYS 14 2HE LYS 14 -2.132 -15.281 12.976 86 HZ1 LYS 14 3HZ LYS 14 -3.462 -17.123 11.195 87 HZ2 LYS 14 1HZ LYS 14 -3.898 -16.543 12.672 88 HZ3 LYS 14 2HZ LYS 14 -2.854 -17.813 12.555 89 H PHE 15 H PHE 15 2.475 -14.440 8.675 90 HA PHE 15 HA PHE 15 1.316 -13.493 6.208 91 HB3 PHE 15 2HB PHE 15 2.725 -11.519 6.648 92 HD1 PHE 15 1HD PHE 15 0.178 -11.142 6.923 93 HD2 PHE 15 2HD PHE 15 2.670 -12.589 10.149 94 HE1 PHE 15 1HE PHE 15 -1.615 -10.689 8.524 95 HE2 PHE 15 2HE PHE 15 0.836 -12.150 11.751 96 HZ PHE 15 HZ PHE 15 -1.320 -11.216 10.951 97 H ALA 16 H ALA 16 4.438 -15.023 7.146 98 HA ALA 16 HA ALA 16 5.801 -14.598 4.754 99 HB1 ALA 16 1HB ALA 16 5.797 -17.149 6.443 100 HB2 ALA 16 2HB ALA 16 7.047 -16.670 5.313 101 HB3 ALA 16 3HB ALA 16 6.795 -15.707 6.778 102 H HIS 17 H HIS 17 3.298 -16.955 5.514 103 HA HIS 17 HA HIS 17 3.424 -18.202 2.914 104 HB3 HIS 17 2HB HIS 17 1.158 -19.104 3.717 105 HD1 HIS 17 1HD HIS 17 2.137 -21.440 3.287 106 HD2 HIS 17 2HD HIS 17 4.262 -19.199 6.181 107 HE1 HIS 17 1HE HIS 17 3.991 -22.940 4.170 108 H ASP 18 H ASP 18 0.534 -16.349 4.222 109 HA ASP 18 HA ASP 18 0.080 -14.869 1.820 110 HB3 ASP 18 2HB ASP 18 -1.724 -17.197 1.703 111 H ALA 19 H ALA 19 -2.570 -15.207 1.399 112 HA ALA 19 HA ALA 19 -4.571 -14.488 1.925 113 HB1 ALA 19 1HB ALA 19 -5.672 -15.789 3.691 114 HB2 ALA 19 2HB ALA 19 -4.638 -16.792 2.656 115 HB3 ALA 19 3HB ALA 19 -4.090 -16.331 4.286 116 H GLU 20 H GLU 20 -2.941 -14.430 5.011 117 HA GLU 20 HA GLU 20 -4.612 -12.152 5.986 118 HB3 GLU 20 2HB GLU 20 -2.220 -13.276 7.449 119 HG3 GLU 20 2HG GLU 20 -3.759 -11.319 8.282 120 H LEU 21 H LEU 21 -1.410 -13.011 4.686 121 HA LEU 21 HA LEU 21 -0.156 -10.419 4.955 122 HB3 LEU 21 2HB LEU 21 0.245 -12.670 2.924 123 HG LEU 21 HG LEU 21 2.651 -11.874 2.962 124 HD11 LEU 21 1HD1 LEU 21 1.195 -11.725 0.984 125 HD12 LEU 21 2HD1 LEU 21 2.472 -10.509 1.045 126 HD13 LEU 21 3HD1 LEU 21 0.810 -10.042 1.415 127 HD21 LEU 21 3HD2 LEU 21 2.564 -10.261 4.776 128 HD22 LEU 21 1HD2 LEU 21 1.506 -9.203 3.816 129 HD23 LEU 21 2HD2 LEU 21 3.167 -9.538 3.288 130 H ASN 22 H ASN 22 -2.189 -11.909 2.511 131 HA ASN 22 HA ASN 22 -1.781 -9.906 0.512 132 HB3 ASN 22 2HB ASN 22 -3.733 -10.834 -0.618 133 HD21 ASN 22 1HD2 ASN 22 -3.886 -13.956 -0.073 134 HD22 ASN 22 2HD2 ASN 22 -2.385 -14.456 -0.695 135 H PHE 23 H PHE 23 -3.875 -9.933 3.306 136 HA PHE 23 HA PHE 23 -5.350 -7.533 2.471 137 HB3 PHE 23 2HB PHE 23 -5.623 -7.539 5.133 138 HD1 PHE 23 2HD PHE 23 -6.612 -10.108 2.545 139 HD2 PHE 23 1HD PHE 23 -7.900 -7.315 5.556 140 HE1 PHE 23 2HE PHE 23 -9.007 -10.572 1.982 141 HE2 PHE 23 1HE PHE 23 -10.249 -7.802 5.016 142 HZ PHE 23 HZ PHE 23 -10.811 -9.425 3.224 143 H LYS 24 H LYS 24 -2.897 -8.255 5.059 144 HA LYS 24 HA LYS 24 -2.461 -5.673 5.826 145 HB3 LYS 24 2HB LYS 24 -0.208 -6.524 6.605 146 HG3 LYS 24 2HG LYS 24 -2.161 -8.672 7.353 147 HD3 LYS 24 2HD LYS 24 -0.667 -6.539 8.895 148 HE3 LYS 24 2HE LYS 24 -2.080 -9.081 9.825 149 HZ1 LYS 24 3HZ LYS 24 -1.276 -8.628 11.942 150 HZ2 LYS 24 1HZ LYS 24 -0.812 -7.106 11.579 151 HZ3 LYS 24 2HZ LYS 24 0.049 -8.398 11.012 152 H ALA 25 H ALA 25 -0.463 -7.411 3.399 153 HA ALA 25 HA ALA 25 1.413 -5.315 2.967 154 HB1 ALA 25 1HB ALA 25 0.508 -7.606 1.197 155 HB2 ALA 25 2HB ALA 25 1.866 -6.520 0.830 156 HB3 ALA 25 3HB ALA 25 1.928 -7.553 2.268 157 H GLU 26 H GLU 26 -1.551 -6.204 1.078 158 HA GLU 26 HA GLU 26 -1.353 -4.182 -0.819 159 HB3 GLU 26 2HB GLU 26 -4.006 -4.444 -0.648 160 HG3 GLU 26 2HG GLU 26 -2.668 -5.076 -2.546 161 H ALA 27 H ALA 27 -2.914 -4.093 2.365 162 HA ALA 27 HA ALA 27 -3.917 -1.445 2.143 163 HB1 ALA 27 1HB ALA 27 -4.719 -3.052 3.834 164 HB2 ALA 27 2HB ALA 27 -3.144 -2.996 4.650 165 HB3 ALA 27 3HB ALA 27 -4.171 -1.551 4.595 166 H ARG 28 H ARG 28 -0.769 -2.721 3.094 167 HA ARG 28 HA ARG 28 0.231 -0.197 4.109 168 HB3 ARG 28 2HB ARG 28 1.920 -2.596 3.364 169 HG3 ARG 28 2HG ARG 28 2.985 -0.470 4.360 170 HD3 ARG 28 2HD ARG 28 1.253 0.119 6.053 171 HE ARG 28 HE ARG 28 1.236 -2.575 6.767 172 HH11 ARG 28 1HH1 ARG 28 1.589 0.483 8.532 173 HH12 ARG 28 2HH1 ARG 28 0.979 -0.183 10.020 174 HH21 ARG 28 1HH2 ARG 28 0.538 -3.418 8.692 175 HH22 ARG 28 2HH2 ARG 28 0.684 -2.540 10.201 176 H ARG 29 H ARG 29 0.703 -2.010 0.986 177 HA ARG 29 HA ARG 29 2.768 -0.291 0.032 178 HB3 ARG 29 2HB ARG 29 2.607 -1.322 -2.004 179 HG3 ARG 29 2HG ARG 29 0.485 -3.178 -0.941 180 HD3 ARG 29 2HD ARG 29 2.782 -3.744 -2.832 181 HE ARG 29 HE ARG 29 0.538 -5.448 -1.946 182 HH11 ARG 29 1HH1 ARG 29 3.336 -5.313 -4.168 183 HH12 ARG 29 2HH1 ARG 29 2.691 -6.509 -5.224 184 HH21 ARG 29 1HH2 ARG 29 -0.002 -7.250 -3.013 185 HH22 ARG 29 2HH2 ARG 29 0.852 -7.875 -4.375 186 H ASN 30 H ASN 30 -0.770 -0.037 -0.498 187 HA ASN 30 HA ASN 30 -0.720 2.357 -1.973 188 HB3 ASN 30 2HB ASN 30 -3.066 2.706 -0.808 189 HD21 ASN 30 1HD2 ASN 30 -4.511 0.104 -1.431 190 HD22 ASN 30 2HD2 ASN 30 -4.495 0.107 -3.164 191 H ARG 31 H ARG 31 -0.512 1.973 1.601 192 HA ARG 31 HA ARG 31 -0.869 4.733 2.213 193 HB3 ARG 31 2HB ARG 31 0.798 2.625 3.658 194 HG3 ARG 31 2HG ARG 31 -0.047 4.166 5.651 195 HD3 ARG 31 2HD ARG 31 2.449 4.955 4.111 196 HE ARG 31 HE ARG 31 1.545 5.766 6.651 197 HH11 ARG 31 1HH1 ARG 31 4.550 4.592 5.136 198 HH12 ARG 31 2HH1 ARG 31 5.510 5.080 6.485 199 HH21 ARG 31 1HH2 ARG 31 2.909 6.414 8.356 200 HH22 ARG 31 2HH2 ARG 31 4.569 5.906 8.415 201 H LEU 32 H LEU 32 2.083 2.885 1.238 202 HA LEU 32 HA LEU 32 3.873 5.072 1.754 203 HB3 LEU 32 2HB LEU 32 5.496 3.762 0.576 204 HG LEU 32 HG LEU 32 3.831 1.516 1.696 205 HD11 LEU 32 1HD1 LEU 32 6.833 2.007 1.738 206 HD12 LEU 32 2HD1 LEU 32 5.982 0.916 0.621 207 HD13 LEU 32 3HD1 LEU 32 6.000 0.577 2.355 208 HD21 LEU 32 3HD2 LEU 32 5.498 3.464 3.329 209 HD22 LEU 32 1HD2 LEU 32 4.826 1.919 3.916 210 HD23 LEU 32 2HD2 LEU 32 3.738 3.208 3.423 211 H LEU 33 H LEU 33 2.174 3.884 -1.231 212 HA LEU 33 HA LEU 33 3.228 5.844 -2.962 213 HB3 LEU 33 2HB LEU 33 0.408 4.771 -3.284 214 HG LEU 33 HG LEU 33 1.841 6.033 -5.099 215 HD11 LEU 33 1HD1 LEU 33 3.880 4.650 -4.668 216 HD12 LEU 33 2HD1 LEU 33 3.372 4.589 -6.373 217 HD13 LEU 33 3HD1 LEU 33 3.058 3.219 -5.294 218 HD21 LEU 33 3HD2 LEU 33 1.074 4.519 -6.878 219 HD22 LEU 33 1HD2 LEU 33 -0.206 4.840 -5.674 220 HD23 LEU 33 2HD2 LEU 33 0.661 3.285 -5.644 221 H GLY 34 H GLY 34 0.324 5.900 -0.866 222 HA2 GLY 34 1HA GLY 34 -0.796 8.330 -1.833 223 HA3 GLY 34 2HA GLY 34 -1.097 7.574 -0.255 224 H GLU 35 H GLU 35 1.424 7.645 0.941 225 HA GLU 35 HA GLU 35 1.536 10.246 1.980 226 HB3 GLU 35 2HB GLU 35 3.778 9.482 2.912 227 HG3 GLU 35 2HG GLU 35 2.679 7.113 3.742 228 H TRP 36 H TRP 36 3.469 8.745 -0.617 229 HA TRP 36 HA TRP 36 5.262 10.909 -1.087 230 HB3 TRP 36 2HB TRP 36 4.167 8.731 -2.886 231 HD1 TRP 36 HD TRP 36 7.123 11.236 -3.033 232 HE1 TRP 36 1HE TRP 36 7.362 12.119 -5.386 233 HE3 TRP 36 3HE TRP 36 3.242 8.692 -5.205 234 HZ2 TRP 36 2HZ TRP 36 6.169 11.566 -8.028 235 HZ3 TRP 36 3HZ TRP 36 2.776 8.970 -7.633 236 HH2 TRP 36 HH TRP 36 4.238 10.432 -9.025 237 H ALA 37 H ALA 37 2.251 10.143 -2.937 238 HA ALA 37 HA ALA 37 2.481 12.557 -4.459 239 HB1 ALA 37 1HB ALA 37 0.174 10.633 -3.988 240 HB2 ALA 37 2HB ALA 37 0.117 11.974 -5.150 241 HB3 ALA 37 3HB ALA 37 1.305 10.662 -5.347 242 H ALA 38 H ALA 38 0.863 11.902 -1.341 243 HA ALA 38 HA ALA 38 -0.577 14.322 -1.101 244 HB1 ALA 38 1HB ALA 38 0.942 12.712 1.004 245 HB2 ALA 38 2HB ALA 38 -0.227 13.981 1.357 246 HB3 ALA 38 3HB ALA 38 -0.758 12.500 0.537 247 H GLY 39 H GLY 39 2.857 13.574 -0.538 248 HA2 GLY 39 1HA GLY 39 3.777 16.185 0.189 249 HA3 GLY 39 2HA GLY 39 4.726 14.786 -0.313 250 H LEU 40 H LEU 40 2.471 15.414 -2.751 251 HA LEU 40 HA LEU 40 4.264 17.295 -4.223 252 HB3 LEU 40 2HB LEU 40 3.248 16.195 -6.268 253 HG LEU 40 HG LEU 40 4.716 14.201 -4.489 254 HD11 LEU 40 1HD1 LEU 40 5.478 13.454 -6.799 255 HD12 LEU 40 2HD1 LEU 40 4.213 14.483 -7.482 256 HD13 LEU 40 3HD1 LEU 40 3.776 13.124 -6.416 257 HD21 LEU 40 3HD2 LEU 40 6.026 16.202 -4.594 258 HD22 LEU 40 1HD2 LEU 40 5.760 16.385 -6.353 259 HD23 LEU 40 2HD2 LEU 40 6.740 15.043 -5.709 260 H LEU 41 H LEU 41 0.910 16.245 -3.696 261 HA LEU 41 HA LEU 41 -0.322 18.491 -5.041 262 HB3 LEU 41 2HB LEU 41 -2.340 17.731 -3.772 263 HG LEU 41 HG LEU 41 -0.687 15.731 -5.337 264 HD11 LEU 41 1HD1 LEU 41 -1.640 14.442 -3.438 265 HD12 LEU 41 2HD1 LEU 41 -2.305 14.005 -5.014 266 HD13 LEU 41 3HD1 LEU 41 -3.255 15.024 -3.905 267 HD21 LEU 41 3HD2 LEU 41 -3.520 16.816 -5.637 268 HD22 LEU 41 1HD2 LEU 41 -2.805 15.587 -6.674 269 HD23 LEU 41 2HD2 LEU 41 -2.116 17.235 -6.647 270 H GLY 42 H GLY 42 1.538 18.365 -2.184 271 HA2 GLY 42 1HA GLY 42 1.922 19.887 -0.535 272 HA3 GLY 42 2HA GLY 42 0.880 21.039 -1.385 273 H LYS 43 H LYS 43 0.292 17.776 0.033 274 HA LYS 43 HA LYS 43 -2.120 18.782 1.377 275 HB3 LYS 43 2HB LYS 43 -2.254 16.488 2.264 276 HG3 LYS 43 2HG LYS 43 -2.264 15.107 0.173 277 HD3 LYS 43 2HD LYS 43 -3.781 17.739 0.056 278 HE3 LYS 43 2HE LYS 43 -4.015 15.159 -1.550 279 HZ1 LYS 43 3HZ LYS 43 -5.836 17.497 -1.597 280 HZ2 LYS 43 1HZ LYS 43 -6.204 16.085 -0.885 281 HZ3 LYS 43 2HZ LYS 43 -5.955 16.170 -2.526 282 H THR 44 H THR 44 -2.215 18.036 3.892 283 HA THR 44 HA THR 44 0.292 18.499 5.241 284 HB THR 44 HB THR 44 -0.823 20.291 6.688 285 HG1 THR 44 1HG THR 44 -2.810 21.069 6.098 286 HG21 THR 44 3HG2 THR 44 -0.915 21.145 3.771 287 HG22 THR 44 1HG2 THR 44 0.531 21.159 4.810 288 HG23 THR 44 2HG2 THR 44 -0.834 22.206 5.196 289 H GLY 45 H GLY 45 -0.815 18.753 7.935 290 HA2 GLY 45 1HA GLY 45 -0.455 16.033 8.213 291 HA3 GLY 45 2HA GLY 45 -0.890 17.146 9.531 292 H ASP 46 H ASP 46 -3.493 17.746 7.998 293 HA ASP 46 HA ASP 46 -4.913 15.251 8.702 294 HB3 ASP 46 2HB ASP 46 -6.942 16.578 8.571 295 H ASP 47 H ASP 47 -4.198 17.391 6.029 296 HA ASP 47 HA ASP 47 -6.251 16.456 4.200 297 HB3 ASP 47 2HB ASP 47 -4.351 17.634 2.584 298 H ALA 48 H ALA 48 -2.971 15.644 4.868 299 HA ALA 48 HA ALA 48 -2.322 14.054 2.544 300 HB1 ALA 48 1HB ALA 48 -0.693 15.393 4.082 301 HB2 ALA 48 2HB ALA 48 -1.044 14.166 5.322 302 HB3 ALA 48 3HB ALA 48 -0.255 13.670 3.816 303 H ARG 49 H ARG 49 -3.787 13.554 5.710 304 HA ARG 49 HA ARG 49 -3.408 10.644 5.715 305 HB3 ARG 49 2HB ARG 49 -4.912 10.676 7.651 306 HG3 ARG 49 2HG ARG 49 -2.888 12.929 7.802 307 HD3 ARG 49 2HD ARG 49 -4.359 12.043 9.718 308 HE ARG 49 HE ARG 49 -3.986 9.839 10.197 309 HH11 ARG 49 1HH1 ARG 49 -0.840 11.431 9.762 310 HH12 ARG 49 2HH1 ARG 49 0.092 10.062 10.232 311 HH21 ARG 49 1HH2 ARG 49 -2.816 7.975 10.673 312 HH22 ARG 49 2HH2 ARG 49 -1.113 8.059 10.931 313 H ALA 50 H ALA 50 -6.123 12.965 5.127 314 HA ALA 50 HA ALA 50 -7.987 11.026 4.364 315 HB1 ALA 50 1HB ALA 50 -9.164 12.817 3.203 316 HB2 ALA 50 2HB ALA 50 -8.470 13.488 4.687 317 HB3 ALA 50 3HB ALA 50 -7.692 13.804 3.123 318 H TYR 51 H TYR 51 -5.585 12.701 2.296 319 HA TYR 51 HA TYR 51 -6.261 11.385 -0.118 320 HB3 TYR 51 2HB TYR 51 -3.565 12.445 0.801 321 HD1 TYR 51 1HD TYR 51 -2.340 10.822 -0.627 322 HD2 TYR 51 2HD TYR 51 -5.369 13.428 -2.248 323 HE1 TYR 51 1HE TYR 51 -1.625 10.232 -2.889 324 HE2 TYR 51 2HE TYR 51 -4.552 12.977 -4.544 325 HH TYR 51 HH TYR 51 -3.136 11.739 -5.793 326 H ALA 52 H ALA 52 -3.845 10.462 2.405 327 HA ALA 52 HA ALA 52 -3.117 8.035 1.004 328 HB1 ALA 52 1HB ALA 52 -1.555 9.280 2.514 329 HB2 ALA 52 2HB ALA 52 -2.601 8.821 3.896 330 HB3 ALA 52 3HB ALA 52 -1.741 7.581 2.962 331 H LEU 53 H LEU 53 -6.054 8.715 2.481 332 HA LEU 53 HA LEU 53 -6.569 5.875 3.193 333 HB3 LEU 53 2HB LEU 53 -7.983 6.756 5.091 334 HG LEU 53 HG LEU 53 -4.967 6.995 5.202 335 HD11 LEU 53 1HD1 LEU 53 -5.170 7.204 7.644 336 HD12 LEU 53 2HD1 LEU 53 -6.930 7.433 7.465 337 HD13 LEU 53 3HD1 LEU 53 -5.793 8.615 6.770 338 HD21 LEU 53 3HD2 LEU 53 -5.265 4.960 6.625 339 HD22 LEU 53 1HD2 LEU 53 -5.893 4.722 4.981 340 HD23 LEU 53 2HD2 LEU 53 -7.004 5.021 6.326 341 H THR 54 H THR 54 -7.179 6.352 0.850 342 HA THR 54 HA THR 54 -10.054 6.329 0.890 343 HB THR 54 HB THR 54 -9.745 8.722 0.660 344 HG1 THR 54 1HG THR 54 -10.911 8.933 -1.293 345 HG21 THR 54 3HG2 THR 54 -8.825 9.754 -1.332 346 HG22 THR 54 1HG2 THR 54 -8.292 8.193 -1.963 347 HG23 THR 54 2HG2 THR 54 -7.556 8.870 -0.486 348 H VAL 55 H VAL 55 -7.045 6.155 -1.032 349 HA VAL 55 HA VAL 55 -8.185 4.559 -3.118 350 HB VAL 55 HB VAL 55 -5.816 4.258 -3.754 351 HG11 VAL 55 1HG1 VAL 55 -6.545 7.169 -3.210 352 HG12 VAL 55 2HG1 VAL 55 -5.452 6.555 -4.466 353 HG13 VAL 55 3HG1 VAL 55 -7.181 6.203 -4.553 354 HG21 VAL 55 3HG2 VAL 55 -5.139 6.134 -1.471 355 HG22 VAL 55 1HG2 VAL 55 -4.775 4.384 -1.512 356 HG23 VAL 55 2HG2 VAL 55 -4.044 5.480 -2.682 357 H VAL 56 H VAL 56 -8.187 3.585 -0.130 358 HA VAL 56 HA VAL 56 -7.307 0.811 -0.660 359 HB VAL 56 HB VAL 56 -5.452 2.103 0.320 360 HG11 VAL 56 1HG1 VAL 56 -7.007 3.388 2.022 361 HG12 VAL 56 2HG1 VAL 56 -6.741 1.982 3.042 362 HG13 VAL 56 3HG1 VAL 56 -5.353 2.912 2.486 363 HG21 VAL 56 3HG2 VAL 56 -5.510 -0.309 0.472 364 HG22 VAL 56 1HG2 VAL 56 -4.797 0.419 1.925 365 HG23 VAL 56 2HG2 VAL 56 -6.462 -0.217 1.974 366 H THR 57 H THR 57 -9.463 0.569 -0.977 367 HA THR 57 HA THR 57 -10.782 -0.492 1.325 368 HB THR 57 HB THR 57 -11.303 1.832 1.695 369 HG1 THR 57 1HG THR 57 -13.428 0.143 1.002 370 HG21 THR 57 3HG2 THR 57 -11.462 2.678 -0.658 371 HG22 THR 57 1HG2 THR 57 -12.758 3.199 0.424 372 HG23 THR 57 2HG2 THR 57 -13.064 1.921 -0.752 373 H SER 58 H SER 58 -10.410 -0.083 -1.999 374 HA SER 58 HA SER 58 -11.287 -0.983 -3.872 375 HB3 SER 58 2HB SER 58 -12.105 -3.261 -3.850 376 HG SER 58 HG SER 58 -10.448 -4.231 -2.593 377 H ASP 59 H ASP 59 -14.038 -2.295 -4.077 378 HA ASP 59 HA ASP 59 -15.717 -0.687 -2.435 379 HB3 ASP 59 2HB ASP 59 -16.501 -0.548 -5.348 380 H PHE 60 H PHE 60 -18.217 -1.637 -3.425 381 HA PHE 60 HA PHE 60 -17.985 -4.419 -2.674 382 HB3 PHE 60 2HB PHE 60 -19.938 -3.132 -2.073 383 HD1 PHE 60 2HD PHE 60 -20.793 -4.173 -5.611 384 HD2 PHE 60 1HD PHE 60 -20.840 -1.056 -2.650 385 HE1 PHE 60 2HE PHE 60 -22.035 -2.695 -7.175 386 HE2 PHE 60 1HE PHE 60 -22.111 0.412 -4.198 387 HZ PHE 60 HZ PHE 60 -22.701 -0.417 -6.469 388 H ASP 61 H ASP 61 -17.323 -2.928 -5.670 389 HA ASP 61 HA ASP 61 -17.027 -5.426 -7.019 390 HB3 ASP 61 2HB ASP 61 -18.488 -4.083 -8.993 391 H GLU 62 H GLU 62 -16.352 -4.548 -9.481 392 HA GLU 62 HA GLU 62 -14.976 -3.322 -10.780 393 HB3 GLU 62 2HB GLU 62 -15.225 -0.894 -10.747 394 HG3 GLU 62 2HG GLU 62 -17.838 -2.412 -10.321 395 HA PRO 63 HA PRO 63 -11.512 -3.186 -7.684 396 HB3 PRO 63 2HB PRO 63 -11.403 -5.530 -7.685 397 HG3 PRO 63 2HG PRO 63 -11.916 -6.779 -9.689 398 HD3 PRO 63 2HD PRO 63 -13.817 -5.561 -9.034 399 H GLY 64 H GLY 64 -9.101 -2.940 -8.336 400 HA2 GLY 64 1HA GLY 64 -8.431 -2.173 -11.034 401 HA3 GLY 64 2HA GLY 64 -8.575 -0.781 -9.946 402 H ASP 65 H ASP 65 -7.025 -3.936 -10.366 403 HA ASP 65 HA ASP 65 -5.150 -3.869 -8.224 404 HB3 ASP 65 2HB ASP 65 -3.864 -5.360 -9.997 405 H GLU 66 H GLU 66 -5.064 -2.554 -11.529 406 HA GLU 66 HA GLU 66 -2.246 -1.652 -11.183 407 HB3 GLU 66 2HB GLU 66 -1.763 -2.375 -13.377 408 HG3 GLU 66 2HG GLU 66 -3.432 -4.698 -12.396 409 H ASP 67 H ASP 67 -5.364 -0.570 -11.701 410 HA ASP 67 HA ASP 67 -4.974 1.237 -13.923 411 HB3 ASP 67 2HB ASP 67 -7.187 0.220 -12.898 412 H VAL 68 H VAL 68 -4.414 1.322 -10.628 413 HA VAL 68 HA VAL 68 -4.391 3.888 -9.765 414 HB VAL 68 HB VAL 68 -2.574 1.532 -9.186 415 HG11 VAL 68 1HG1 VAL 68 -2.336 2.543 -6.880 416 HG12 VAL 68 2HG1 VAL 68 -1.599 3.560 -8.113 417 HG13 VAL 68 3HG1 VAL 68 -3.186 3.990 -7.460 418 HG21 VAL 68 3HG2 VAL 68 -5.322 2.305 -8.273 419 HG22 VAL 68 1HG2 VAL 68 -4.722 0.755 -8.851 420 HG23 VAL 68 2HG2 VAL 68 -4.270 1.287 -7.237 421 H PHE 69 H PHE 69 -1.931 2.465 -11.980 422 HA PHE 69 HA PHE 69 -0.035 4.646 -11.757 423 HB3 PHE 69 2HB PHE 69 -0.664 2.570 -13.863 424 HD1 PHE 69 1HD PHE 69 2.536 4.424 -13.047 425 HD2 PHE 69 2HD PHE 69 -0.444 3.435 -16.021 426 HE1 PHE 69 1HE PHE 69 3.917 5.481 -14.804 427 HE2 PHE 69 2HE PHE 69 1.048 4.383 -17.801 428 HZ PHE 69 HZ PHE 69 3.212 5.410 -17.191 429 H ARG 70 H ARG 70 -2.856 4.071 -13.866 430 HA ARG 70 HA ARG 70 -2.638 6.648 -15.193 431 HB3 ARG 70 2HB ARG 70 -5.130 4.947 -15.286 432 HG3 ARG 70 2HG ARG 70 -4.155 5.122 -17.837 433 HD3 ARG 70 2HD ARG 70 -5.786 7.312 -16.522 434 HE ARG 70 HE ARG 70 -4.800 7.346 -19.082 435 HH11 ARG 70 1HH1 ARG 70 -7.991 7.296 -17.566 436 HH12 ARG 70 2HH1 ARG 70 -8.755 8.291 -18.739 437 HH21 ARG 70 1HH2 ARG 70 -5.818 8.561 -20.743 438 HH22 ARG 70 2HH2 ARG 70 -7.509 8.889 -20.728 439 H LYS 71 H LYS 71 -3.822 5.643 -12.199 440 HA LYS 71 HA LYS 71 -5.843 7.801 -12.012 441 HB3 LYS 71 2HB LYS 71 -5.044 5.982 -9.730 442 HG3 LYS 71 2HG LYS 71 -7.573 7.419 -10.635 443 HD3 LYS 71 2HD LYS 71 -7.256 5.502 -8.299 444 HE3 LYS 71 2HE LYS 71 -9.613 7.085 -9.439 445 HZ1 LYS 71 3HZ LYS 71 -9.540 5.186 -7.191 446 HZ2 LYS 71 1HZ LYS 71 -10.296 4.912 -8.622 447 HZ3 LYS 71 2HZ LYS 71 -10.826 6.126 -7.611 448 H LEU 72 H LEU 72 -2.702 6.956 -10.518 449 HA LEU 72 HA LEU 72 -2.424 9.370 -8.977 450 HB3 LEU 72 2HB LEU 72 0.138 8.765 -9.525 451 HG LEU 72 HG LEU 72 0.145 6.897 -7.848 452 HD11 LEU 72 1HD1 LEU 72 0.509 9.216 -7.256 453 HD12 LEU 72 2HD1 LEU 72 -0.352 8.368 -5.958 454 HD13 LEU 72 3HD1 LEU 72 -1.232 9.477 -7.041 455 HD21 LEU 72 3HD2 LEU 72 -2.825 7.507 -7.529 456 HD22 LEU 72 1HD2 LEU 72 -1.835 6.454 -6.504 457 HD23 LEU 72 2HD2 LEU 72 -2.141 6.011 -8.171 458 H ALA 73 H ALA 73 -1.501 8.513 -12.376 459 HA ALA 73 HA ALA 73 -0.288 10.993 -12.949 460 HB1 ALA 73 1HB ALA 73 -1.849 9.229 -14.880 461 HB2 ALA 73 2HB ALA 73 -0.558 10.401 -15.249 462 HB3 ALA 73 3HB ALA 73 -0.174 8.926 -14.357 463 H ALA 74 H ALA 74 -3.730 10.080 -13.116 464 HA ALA 74 HA ALA 74 -4.664 12.603 -14.100 465 HB1 ALA 74 1HB ALA 74 -5.873 10.433 -14.302 466 HB2 ALA 74 2HB ALA 74 -6.151 10.434 -12.547 467 HB3 ALA 74 3HB ALA 74 -6.872 11.694 -13.564 468 H ASP 75 H ASP 75 -3.114 12.176 -11.237 469 HA ASP 75 HA ASP 75 -4.651 14.315 -9.831 470 HB3 ASP 75 2HB ASP 75 -2.762 13.239 -8.030 471 H LEU 76 H LEU 76 -1.292 12.984 -10.288 472 HA LEU 76 HA LEU 76 -0.142 15.591 -9.755 473 HB3 LEU 76 2HB LEU 76 1.985 14.406 -10.052 474 HG LEU 76 HG LEU 76 2.147 13.122 -8.262 475 HD11 LEU 76 1HD1 LEU 76 -0.479 14.502 -7.609 476 HD12 LEU 76 2HD1 LEU 76 1.126 15.265 -7.564 477 HD13 LEU 76 3HD1 LEU 76 0.744 13.934 -6.457 478 HD21 LEU 76 3HD2 LEU 76 0.671 11.525 -7.413 479 HD22 LEU 76 1HD2 LEU 76 0.751 11.322 -9.167 480 HD23 LEU 76 2HD2 LEU 76 -0.671 12.101 -8.423 481 H GLU 77 H GLU 77 -1.757 15.317 -12.276 482 HA GLU 77 HA GLU 77 -0.188 14.999 -14.572 483 HB3 GLU 77 2HB GLU 77 -2.653 16.742 -14.212 484 HG3 GLU 77 2HG GLU 77 -1.288 16.099 -16.581 485 H GLY 78 H GLY 78 1.793 16.201 -14.278 486 HA2 GLY 78 1HA GLY 78 2.918 18.114 -15.275 487 HA3 GLY 78 2HA GLY 78 1.676 19.177 -14.625 488 H LYS 79 H LYS 79 2.253 16.910 -12.238 489 HA LYS 79 HA LYS 79 4.342 18.521 -10.826 490 HB3 LYS 79 2HB LYS 79 3.607 17.528 -8.840 491 HG3 LYS 79 2HG LYS 79 0.849 18.035 -9.804 492 HD3 LYS 79 2HD LYS 79 2.600 19.801 -8.073 493 HE3 LYS 79 2HE LYS 79 0.573 20.127 -6.754 494 HZ1 LYS 79 3HZ LYS 79 -0.730 21.303 -8.236 495 HZ2 LYS 79 1HZ LYS 79 -0.488 20.305 -9.467 496 HZ3 LYS 79 2HZ LYS 79 0.726 21.351 -9.013 497 H ALA 80 H ALA 80 3.330 15.100 -11.651 498 HA ALA 80 HA ALA 80 6.159 14.294 -11.491 499 HB1 ALA 80 1HB ALA 80 5.274 12.240 -10.196 500 HB2 ALA 80 2HB ALA 80 5.470 13.752 -9.281 501 HB3 ALA 80 3HB ALA 80 3.864 13.189 -9.820 502 H ASP 81 H ASP 81 6.404 13.660 -13.531 503 HA ASP 81 HA ASP 81 4.310 12.915 -15.262 504 HB3 ASP 81 2HB ASP 81 5.957 12.332 -16.860 505 H GLU 82 H GLU 82 3.981 10.714 -16.375 506 HA GLU 82 HA GLU 82 3.530 8.564 -14.748 507 HB3 GLU 82 2HB GLU 82 4.058 7.480 -17.128 508 HG3 GLU 82 2HG GLU 82 1.737 7.923 -15.946 509 H GLU 83 H GLU 83 6.526 9.502 -16.429 510 HA GLU 83 HA GLU 83 8.005 7.179 -16.095 511 HB3 GLU 83 2HB GLU 83 9.557 9.679 -15.639 512 HG3 GLU 83 2HG GLU 83 10.448 7.520 -16.585 513 H THR 84 H THR 84 7.413 9.711 -13.619 514 HA THR 84 HA THR 84 9.324 8.297 -11.835 515 HB THR 84 HB THR 84 9.168 10.833 -12.105 516 HG1 THR 84 1HG THR 84 10.318 9.666 -10.466 517 HG21 THR 84 3HG2 THR 84 6.827 11.287 -11.714 518 HG22 THR 84 1HG2 THR 84 7.755 11.961 -10.372 519 HG23 THR 84 2HG2 THR 84 6.873 10.461 -10.139 520 H ILE 85 H ILE 85 5.826 8.959 -12.103 521 HA ILE 85 HA ILE 85 4.856 7.727 -9.774 522 HB ILE 85 HB ILE 85 3.883 7.452 -12.586 523 HG13 ILE 85 2HG1 ILE 85 4.060 9.867 -11.697 524 HG21 ILE 85 1HG2 ILE 85 2.718 5.800 -11.063 525 HG22 ILE 85 2HG2 ILE 85 2.214 7.143 -10.029 526 HG23 ILE 85 3HG2 ILE 85 1.598 6.985 -11.690 527 HD11 ILE 85 3HD1 ILE 85 1.863 10.705 -12.181 528 HD12 ILE 85 1HD1 ILE 85 2.211 9.419 -13.346 529 HD13 ILE 85 2HD1 ILE 85 1.136 9.115 -11.968 530 H ARG 86 H ARG 86 5.663 6.138 -12.912 531 HA ARG 86 HA ARG 86 5.103 3.471 -12.318 532 HB3 ARG 86 2HB ARG 86 7.612 3.688 -13.805 533 HG3 ARG 86 2HG ARG 86 5.990 3.347 -15.758 534 HD3 ARG 86 2HD ARG 86 5.365 1.182 -13.789 535 HE ARG 86 HE ARG 86 5.031 0.815 -16.162 536 HH11 ARG 86 1HH1 ARG 86 8.498 1.005 -15.249 537 HH12 ARG 86 2HH1 ARG 86 9.003 0.606 -16.860 538 HH21 ARG 86 1HH2 ARG 86 5.872 0.191 -18.227 539 HH22 ARG 86 2HH2 ARG 86 7.582 -0.050 -18.426 540 H ALA 87 H ALA 87 7.644 5.465 -11.211 541 HA ALA 87 HA ALA 87 9.507 3.306 -10.477 542 HB1 ALA 87 1HB ALA 87 9.686 6.054 -9.240 543 HB2 ALA 87 2HB ALA 87 10.961 4.907 -9.694 544 HB3 ALA 87 3HB ALA 87 10.107 5.797 -10.948 545 H LYS 88 H LYS 88 7.435 5.449 -8.614 546 HA LYS 88 HA LYS 88 7.595 4.165 -6.000 547 HB3 LYS 88 2HB LYS 88 5.581 5.461 -5.497 548 HG3 LYS 88 2HG LYS 88 8.142 6.406 -6.064 549 HD3 LYS 88 2HD LYS 88 6.248 8.498 -7.073 550 HE3 LYS 88 2HE LYS 88 8.184 9.394 -8.284 551 HZ1 LYS 88 3HZ LYS 88 8.092 9.997 -5.870 552 HZ2 LYS 88 1HZ LYS 88 9.587 10.087 -6.524 553 HZ3 LYS 88 2HZ LYS 88 9.250 8.848 -5.583 554 H MET 89 H MET 89 5.340 3.786 -8.742 555 HA MET 89 HA MET 89 3.664 1.845 -7.577 556 HB3 MET 89 2HB MET 89 4.439 2.585 -10.397 557 HG3 MET 89 2HG MET 89 2.277 1.379 -11.048 558 HE1 MET 89 3HE MET 89 3.378 -2.232 -12.269 559 HE2 MET 89 1HE MET 89 2.677 -1.995 -10.647 560 HE3 MET 89 2HE MET 89 2.018 -1.132 -12.047 561 H VAL 90 H VAL 90 6.998 1.458 -8.721 562 HA VAL 90 HA VAL 90 6.759 -1.464 -8.406 563 HB VAL 90 HB VAL 90 9.046 0.354 -9.326 564 HG11 VAL 90 1HG1 VAL 90 10.021 -1.618 -8.282 565 HG12 VAL 90 2HG1 VAL 90 8.837 -2.690 -9.051 566 HG13 VAL 90 3HG1 VAL 90 10.089 -1.906 -10.029 567 HG21 VAL 90 3HG2 VAL 90 7.091 -0.060 -10.999 568 HG22 VAL 90 1HG2 VAL 90 8.749 -0.352 -11.533 569 HG23 VAL 90 2HG2 VAL 90 7.722 -1.720 -11.085 570 H GLU 91 H GLU 91 8.755 1.214 -7.118 571 HA GLU 91 HA GLU 91 10.293 -0.077 -5.295 572 HB3 GLU 91 2HB GLU 91 9.858 2.174 -3.938 573 HG3 GLU 91 2HG GLU 91 10.965 3.552 -5.802 574 H LEU 92 H LEU 92 7.014 1.348 -4.424 575 HA LEU 92 HA LEU 92 7.417 0.373 -1.730 576 HB3 LEU 92 2HB LEU 92 5.166 1.303 -1.422 577 HG LEU 92 HG LEU 92 5.620 3.537 -1.748 578 HD11 LEU 92 1HD1 LEU 92 7.501 2.499 -0.384 579 HD12 LEU 92 2HD1 LEU 92 7.903 4.042 -1.143 580 HD13 LEU 92 3HD1 LEU 92 8.479 2.529 -1.859 581 HD21 LEU 92 3HD2 LEU 92 7.374 3.317 -4.021 582 HD22 LEU 92 1HD2 LEU 92 6.700 4.749 -3.213 583 HD23 LEU 92 2HD2 LEU 92 5.603 3.610 -3.995 584 H ARG 93 H ARG 93 6.467 -1.080 -4.547 585 HA ARG 93 HA ARG 93 4.130 -2.495 -3.668 586 HB3 ARG 93 2HB ARG 93 5.469 -3.175 -6.240 587 HG3 ARG 93 2HG ARG 93 2.994 -3.575 -5.577 588 HD3 ARG 93 2HD ARG 93 2.678 -0.687 -6.499 589 HE ARG 93 HE ARG 93 0.575 -1.298 -4.898 590 HH11 ARG 93 1HH1 ARG 93 1.827 -2.584 -7.921 591 HH12 ARG 93 2HH1 ARG 93 0.311 -3.043 -8.571 592 HH21 ARG 93 1HH2 ARG 93 -1.478 -2.057 -5.600 593 HH22 ARG 93 2HH2 ARG 93 -1.635 -2.746 -7.181 594 H ALA 94 H ALA 94 7.579 -3.220 -4.110 595 HA ALA 94 HA ALA 94 7.057 -5.921 -2.918 596 HB1 ALA 94 1HB ALA 94 9.693 -4.827 -3.915 597 HB2 ALA 94 2HB ALA 94 9.321 -6.486 -3.429 598 HB3 ALA 94 3HB ALA 94 8.575 -5.791 -4.890 599 H THR 95 H THR 95 8.308 -2.735 -2.058 600 HA THR 95 HA THR 95 9.776 -3.474 0.234 601 HB THR 95 HB THR 95 8.185 -0.928 -0.194 602 HG1 THR 95 1HG THR 95 10.046 -1.671 -1.730 603 HG21 THR 95 3HG2 THR 95 9.861 0.176 1.243 604 HG22 THR 95 1HG2 THR 95 10.546 -1.415 1.637 605 HG23 THR 95 2HG2 THR 95 8.881 -1.007 2.103 606 H ALA 96 H ALA 96 6.379 -2.218 0.158 607 HA ALA 96 HA ALA 96 6.096 -2.294 2.933 608 HB1 ALA 96 1HB ALA 96 4.657 -1.087 1.167 609 HB2 ALA 96 2HB ALA 96 3.740 -2.607 1.056 610 HB3 ALA 96 3HB ALA 96 3.853 -1.741 2.591 611 H ARG 97 H ARG 97 5.488 -4.855 0.602 612 HA ARG 97 HA ARG 97 4.369 -6.917 2.196 613 HB3 ARG 97 2HB ARG 97 6.220 -8.247 0.685 614 HG3 ARG 97 2HG ARG 97 3.970 -7.150 -0.953 615 HD3 ARG 97 2HD ARG 97 3.743 -9.426 -1.675 616 HE ARG 97 HE ARG 97 6.591 -8.634 -1.450 617 HH11 ARG 97 1HH1 ARG 97 4.419 -11.170 -2.800 618 HH12 ARG 97 2HH1 ARG 97 5.725 -11.787 -3.776 619 HH21 ARG 97 1HH2 ARG 97 8.099 -9.429 -2.849 620 HH22 ARG 97 2HH2 ARG 97 7.671 -10.648 -4.037 621 H GLU 98 H GLU 98 7.902 -6.340 1.563 622 HA GLU 98 HA GLU 98 8.742 -8.286 3.412 623 HB3 GLU 98 2HB GLU 98 10.189 -5.910 2.151 624 HG3 GLU 98 2HG GLU 98 11.117 -8.693 2.985 625 H GLN 99 H GLN 99 7.884 -4.918 3.730 626 HA GLN 99 HA GLN 99 9.140 -4.559 6.318 627 HB3 GLN 99 2HB GLN 99 7.711 -2.359 6.123 628 HG3 GLN 99 2HG GLN 99 9.935 -2.940 4.115 629 HE21 GLN 99 1HE2 GLN 99 7.684 -0.498 5.094 630 HE22 GLN 99 2HE2 GLN 99 8.742 0.868 4.859 631 H ILE 100 H ILE 100 6.172 -6.069 5.518 632 HA ILE 100 HA ILE 100 4.426 -5.078 7.412 633 HB ILE 100 HB ILE 100 4.806 -7.845 6.282 634 HG13 ILE 100 2HG1 ILE 100 2.549 -7.352 5.212 635 HG21 ILE 100 1HG2 ILE 100 2.565 -8.557 7.125 636 HG22 ILE 100 2HG2 ILE 100 3.831 -8.481 8.338 637 HG23 ILE 100 3HG2 ILE 100 2.608 -7.181 8.256 638 HD11 ILE 100 3HD1 ILE 100 3.076 -4.435 5.881 639 HD12 ILE 100 1HD1 ILE 100 1.675 -5.148 5.097 640 HD13 ILE 100 2HD1 ILE 100 1.938 -5.426 6.823 641 H ILE 101 H ILE 101 6.648 -7.850 8.266 642 HA ILE 101 HA ILE 101 5.698 -7.782 10.979 643 HB ILE 101 HB ILE 101 8.083 -9.079 9.622 644 HG13 ILE 101 2HG1 ILE 101 6.872 -11.049 9.449 645 HG21 ILE 101 1HG2 ILE 101 7.073 -9.495 12.427 646 HG22 ILE 101 2HG2 ILE 101 8.227 -10.567 11.582 647 HG23 ILE 101 3HG2 ILE 101 8.654 -8.886 11.900 648 HD11 ILE 101 3HD1 ILE 101 5.516 -11.034 11.558 649 HD12 ILE 101 1HD1 ILE 101 4.459 -9.809 10.803 650 HD13 ILE 101 2HD1 ILE 101 4.585 -11.434 10.108 651 H SER 102 H SER 102 8.298 -6.373 9.139 652 HA SER 102 HA SER 102 9.895 -5.280 11.240 653 HB3 SER 102 2HB SER 102 9.533 -4.260 8.411 654 HG SER 102 HG SER 102 11.164 -3.385 10.073 655 H GLU 103 H GLU 103 6.713 -4.433 10.389 656 HA GLU 103 HA GLU 103 6.996 -1.598 11.253 657 HB3 GLU 103 2HB GLU 103 5.075 -3.169 9.517 658 HG3 GLU 103 2HG GLU 103 3.690 -1.625 10.829 659 H ILE 104 H ILE 104 5.852 -4.713 12.225 660 HA ILE 104 HA ILE 104 3.812 -3.936 14.101 661 HB ILE 104 HB ILE 104 5.779 -6.246 14.318 662 HG13 ILE 104 2HG1 ILE 104 4.485 -6.317 12.208 663 HG21 ILE 104 1HG2 ILE 104 4.624 -5.743 16.477 664 HG22 ILE 104 2HG2 ILE 104 3.056 -5.924 15.672 665 HG23 ILE 104 3HG2 ILE 104 4.165 -7.301 15.843 666 HD11 ILE 104 3HD1 ILE 104 3.293 -8.382 14.089 667 HD12 ILE 104 1HD1 ILE 104 3.497 -8.481 12.343 668 HD13 ILE 104 2HD1 ILE 104 4.932 -8.487 13.387 Start of MODEL 18 1 H1 MET 1 H MET 1 -7.339 -18.985 9.041 2 HA MET 1 HA MET 1 -6.164 -16.791 8.943 3 HB3 MET 1 2HB MET 1 -7.895 -16.899 7.369 4 HG3 MET 1 2HG MET 1 -10.326 -16.237 8.290 5 HE1 MET 1 3HE MET 1 -11.570 -19.108 9.572 6 HE2 MET 1 1HE MET 1 -12.287 -17.939 8.442 7 HE3 MET 1 2HE MET 1 -12.169 -19.655 7.996 8 H THR 2 H THR 2 -5.219 -15.503 10.456 9 HA THR 2 HA THR 2 -4.852 -14.671 12.519 10 HB THR 2 HB THR 2 -7.485 -13.231 12.167 11 HG1 THR 2 1HG THR 2 -5.159 -12.944 10.528 12 HG21 THR 2 3HG2 THR 2 -6.004 -12.680 14.120 13 HG22 THR 2 1HG2 THR 2 -6.263 -11.325 13.026 14 HG23 THR 2 2HG2 THR 2 -4.721 -12.226 12.983 15 H THR 3 H THR 3 -5.553 -17.163 13.249 16 HA THR 3 HA THR 3 -7.612 -16.827 15.362 17 HB THR 3 HB THR 3 -7.776 -19.469 14.146 18 HG1 THR 3 1HG THR 3 -8.516 -17.327 12.468 19 HG21 THR 3 3HG2 THR 3 -9.466 -18.577 15.636 20 HG22 THR 3 1HG2 THR 3 -10.188 -18.892 14.050 21 HG23 THR 3 2HG2 THR 3 -9.786 -17.225 14.528 22 H PHE 4 H PHE 4 -7.169 -17.784 17.231 23 HA PHE 4 HA PHE 4 -6.277 -19.016 18.850 24 HB3 PHE 4 2HB PHE 4 -4.642 -20.815 17.114 25 HD1 PHE 4 1HD PHE 4 -3.843 -20.617 19.795 26 HD2 PHE 4 2HD PHE 4 -7.318 -22.664 18.218 27 HE1 PHE 4 1HE PHE 4 -3.925 -22.053 21.802 28 HE2 PHE 4 2HE PHE 4 -7.377 -24.095 20.232 29 HZ PHE 4 HZ PHE 4 -5.689 -23.792 22.036 30 H ASP 5 H ASP 5 -5.115 -17.491 19.742 31 HA ASP 5 HA ASP 5 -2.919 -16.087 18.728 32 HB3 ASP 5 2HB ASP 5 -2.431 -15.679 21.242 33 H ASP 6 H ASP 6 -1.418 -17.559 17.756 34 HA ASP 6 HA ASP 6 0.594 -18.568 19.624 35 HB3 ASP 6 2HB ASP 6 -0.830 -20.464 17.703 36 H ARG 7 H ARG 7 2.597 -19.233 18.472 37 HA ARG 7 HA ARG 7 2.925 -17.227 16.322 38 HB3 ARG 7 2HB ARG 7 5.378 -17.618 16.699 39 HG3 ARG 7 2HG ARG 7 4.003 -17.235 19.366 40 HD3 ARG 7 2HD ARG 7 6.462 -15.970 18.077 41 HE ARG 7 HE ARG 7 5.509 -14.492 19.713 42 HH11 ARG 7 1HH1 ARG 7 6.617 -17.520 21.262 43 HH12 ARG 7 2HH1 ARG 7 6.924 -16.705 22.777 44 HH21 ARG 7 1HH2 ARG 7 6.221 -13.472 21.632 45 HH22 ARG 7 2HH2 ARG 7 6.631 -14.460 23.015 46 H GLU 8 H GLU 8 2.426 -20.403 16.374 47 HA GLU 8 HA GLU 8 4.346 -21.730 15.097 48 HB3 GLU 8 2HB GLU 8 2.479 -23.358 14.367 49 HG3 GLU 8 2HG GLU 8 1.771 -23.782 16.749 50 H ARG 9 H ARG 9 1.522 -20.723 13.079 51 HA ARG 9 HA ARG 9 3.326 -20.384 10.760 52 HB3 ARG 9 2HB ARG 9 1.632 -21.274 9.310 53 HG3 ARG 9 2HG ARG 9 3.283 -22.680 10.669 54 HD3 ARG 9 2HD ARG 9 1.257 -23.006 12.471 55 HE ARG 9 HE ARG 9 0.539 -24.911 10.592 56 HH11 ARG 9 1HH1 ARG 9 1.841 -24.909 13.906 57 HH12 ARG 9 2HH1 ARG 9 0.924 -26.264 14.432 58 HH21 ARG 9 1HH2 ARG 9 -0.539 -26.930 11.280 59 HH22 ARG 9 2HH2 ARG 9 -0.311 -27.456 12.951 60 H ALA 10 H ALA 10 2.180 -18.445 12.667 61 HA ALA 10 HA ALA 10 -0.003 -17.084 11.113 62 HB1 ALA 10 1HB ALA 10 -0.784 -17.807 13.275 63 HB2 ALA 10 2HB ALA 10 0.601 -17.014 14.084 64 HB3 ALA 10 3HB ALA 10 -0.649 -16.052 13.290 65 H HIS 11 H HIS 11 3.218 -16.664 12.356 66 HA HIS 11 HA HIS 11 3.278 -13.990 11.142 67 HB3 HIS 11 2HB HIS 11 4.982 -13.384 12.968 68 HD1 HIS 11 1HD HIS 11 3.771 -11.110 13.095 69 HD2 HIS 11 2HD HIS 11 1.451 -14.398 14.336 70 HE1 HIS 11 1HE HIS 11 1.597 -10.148 14.033 71 H GLU 12 H GLU 12 4.929 -16.872 12.036 72 HA GLU 12 HA GLU 12 7.257 -16.246 10.495 73 HB3 GLU 12 2HB GLU 12 7.417 -17.681 12.365 74 HG3 GLU 12 2HG GLU 12 5.260 -19.014 11.708 75 H ALA 13 H ALA 13 4.399 -18.337 9.705 76 HA ALA 13 HA ALA 13 5.376 -18.346 6.887 77 HB1 ALA 13 1HB ALA 13 3.251 -19.970 8.286 78 HB2 ALA 13 2HB ALA 13 3.497 -19.994 6.535 79 HB3 ALA 13 3HB ALA 13 4.803 -20.504 7.591 80 H LYS 14 H LYS 14 2.537 -17.106 8.708 81 HA LYS 14 HA LYS 14 0.811 -17.150 6.568 82 HB3 LYS 14 2HB LYS 14 0.426 -14.747 8.307 83 HG3 LYS 14 2HG LYS 14 -1.345 -16.027 6.931 84 HD3 LYS 14 2HD LYS 14 -1.407 -17.920 9.305 85 HE3 LYS 14 2HE LYS 14 -2.507 -17.958 6.465 86 HZ1 LYS 14 3HZ LYS 14 -2.883 -20.051 8.503 87 HZ2 LYS 14 1HZ LYS 14 -1.741 -20.171 7.342 88 HZ3 LYS 14 2HZ LYS 14 -3.311 -20.096 6.892 89 H PHE 15 H PHE 15 3.199 -14.679 7.147 90 HA PHE 15 HA PHE 15 2.066 -12.939 5.069 91 HB3 PHE 15 2HB PHE 15 3.681 -11.309 5.954 92 HD1 PHE 15 1HD PHE 15 1.087 -10.874 6.302 93 HD2 PHE 15 2HD PHE 15 3.576 -12.769 9.231 94 HE1 PHE 15 1HE PHE 15 -0.621 -10.398 8.021 95 HE2 PHE 15 2HE PHE 15 1.885 -12.244 10.982 96 HZ PHE 15 HZ PHE 15 -0.209 -11.075 10.386 97 H ALA 16 H ALA 16 4.933 -14.867 5.910 98 HA ALA 16 HA ALA 16 6.647 -14.389 3.817 99 HB1 ALA 16 1HB ALA 16 7.618 -16.573 4.270 100 HB2 ALA 16 2HB ALA 16 7.193 -15.763 5.784 101 HB3 ALA 16 3HB ALA 16 6.166 -17.070 5.149 102 H HIS 17 H HIS 17 3.916 -16.696 3.783 103 HA HIS 17 HA HIS 17 4.285 -17.576 1.045 104 HB3 HIS 17 2HB HIS 17 1.718 -17.917 1.219 105 HD1 HIS 17 1HD HIS 17 2.045 -20.378 0.674 106 HD2 HIS 17 2HD HIS 17 3.602 -19.198 4.391 107 HE1 HIS 17 1HE HIS 17 2.380 -22.521 2.038 108 H ASP 18 H ASP 18 1.585 -15.656 2.136 109 HA ASP 18 HA ASP 18 2.076 -13.193 1.485 110 HB3 ASP 18 2HB ASP 18 2.342 -13.359 -0.869 111 H ALA 19 H ALA 19 -0.062 -15.582 1.783 112 HA ALA 19 HA ALA 19 -2.380 -14.253 1.132 113 HB1 ALA 19 1HB ALA 19 -3.545 -16.284 1.701 114 HB2 ALA 19 2HB ALA 19 -1.993 -16.600 0.884 115 HB3 ALA 19 3HB ALA 19 -2.134 -16.857 2.653 116 H GLU 20 H GLU 20 -0.866 -13.810 4.063 117 HA GLU 20 HA GLU 20 -3.260 -12.205 4.765 118 HB3 GLU 20 2HB GLU 20 -1.384 -13.079 6.960 119 HG3 GLU 20 2HG GLU 20 -4.323 -12.306 6.705 120 H LEU 21 H LEU 21 -0.144 -12.188 3.555 121 HA LEU 21 HA LEU 21 0.836 -9.654 4.672 122 HB3 LEU 21 2HB LEU 21 1.651 -11.161 2.151 123 HG LEU 21 HG LEU 21 2.312 -8.689 2.234 124 HD11 LEU 21 1HD1 LEU 21 4.206 -9.643 4.423 125 HD12 LEU 21 2HD1 LEU 21 2.757 -8.670 4.737 126 HD13 LEU 21 3HD1 LEU 21 4.063 -8.012 3.756 127 HD21 LEU 21 3HD2 LEU 21 3.495 -10.368 0.869 128 HD22 LEU 21 1HD2 LEU 21 4.539 -10.747 2.252 129 HD23 LEU 21 2HD2 LEU 21 4.590 -9.136 1.500 130 H ASN 22 H ASN 22 -0.687 -10.780 1.617 131 HA ASN 22 HA ASN 22 -0.704 -8.262 0.368 132 HB3 ASN 22 2HB ASN 22 -2.811 -9.282 -0.845 133 HD21 ASN 22 1HD2 ASN 22 -1.613 -12.001 -1.837 134 HD22 ASN 22 2HD2 ASN 22 -0.408 -11.396 -2.929 135 H PHE 23 H PHE 23 -2.812 -9.430 2.959 136 HA PHE 23 HA PHE 23 -4.706 -7.262 2.668 137 HB3 PHE 23 2HB PHE 23 -4.510 -8.123 5.417 138 HD1 PHE 23 1HD PHE 23 -6.342 -6.354 4.435 139 HD2 PHE 23 2HD PHE 23 -6.396 -10.597 3.818 140 HE1 PHE 23 1HE PHE 23 -8.774 -6.236 3.924 141 HE2 PHE 23 2HE PHE 23 -8.837 -10.481 3.287 142 HZ PHE 23 HZ PHE 23 -10.005 -8.317 3.341 143 H LYS 24 H LYS 24 -1.846 -7.725 4.846 144 HA LYS 24 HA LYS 24 -2.182 -5.122 6.014 145 HB3 LYS 24 2HB LYS 24 -0.064 -5.570 7.095 146 HG3 LYS 24 2HG LYS 24 -0.319 -7.925 7.909 147 HD3 LYS 24 2HD LYS 24 -2.883 -6.272 7.889 148 HE3 LYS 24 2HE LYS 24 -2.104 -8.801 9.417 149 HZ1 LYS 24 3HZ LYS 24 -4.456 -8.592 10.197 150 HZ2 LYS 24 1HZ LYS 24 -4.442 -7.026 9.718 151 HZ3 LYS 24 2HZ LYS 24 -3.376 -7.583 10.882 152 H ALA 25 H ALA 25 0.177 -6.355 3.583 153 HA ALA 25 HA ALA 25 1.584 -3.919 3.402 154 HB1 ALA 25 1HB ALA 25 1.390 -6.275 1.497 155 HB2 ALA 25 2HB ALA 25 2.549 -4.938 1.322 156 HB3 ALA 25 3HB ALA 25 2.613 -5.987 2.749 157 H GLU 26 H GLU 26 -1.283 -5.026 1.444 158 HA GLU 26 HA GLU 26 -1.122 -2.899 -0.456 159 HB3 GLU 26 2HB GLU 26 -3.667 -3.325 -0.489 160 HG3 GLU 26 2HG GLU 26 -2.375 -5.938 -1.167 161 H ALA 27 H ALA 27 -3.078 -3.210 2.543 162 HA ALA 27 HA ALA 27 -4.006 -0.486 2.390 163 HB1 ALA 27 1HB ALA 27 -5.048 -0.973 4.568 164 HB2 ALA 27 2HB ALA 27 -5.336 -2.276 3.403 165 HB3 ALA 27 3HB ALA 27 -4.095 -2.472 4.667 166 H ARG 28 H ARG 28 -0.981 -1.533 3.116 167 HA ARG 28 HA ARG 28 -0.393 0.685 5.034 168 HB3 ARG 28 2HB ARG 28 1.921 -0.364 4.975 169 HG3 ARG 28 2HG ARG 28 1.165 -2.418 6.330 170 HD3 ARG 28 2HD ARG 28 0.913 0.410 6.956 171 HE ARG 28 HE ARG 28 -1.288 -1.238 7.793 172 HH11 ARG 28 1HH1 ARG 28 1.083 0.956 9.206 173 HH12 ARG 28 2HH1 ARG 28 0.139 1.319 10.609 174 HH21 ARG 28 1HH2 ARG 28 -2.542 -0.778 9.533 175 HH22 ARG 28 2HH2 ARG 28 -2.001 0.229 10.826 176 H ARG 29 H ARG 29 0.745 -0.674 1.890 177 HA ARG 29 HA ARG 29 2.499 1.388 1.306 178 HB3 ARG 29 2HB ARG 29 2.487 -0.743 0.165 179 HG3 ARG 29 2HG ARG 29 0.015 -0.941 -0.318 180 HD3 ARG 29 2HD ARG 29 0.218 -0.170 -3.048 181 HE ARG 29 HE ARG 29 -1.814 -0.206 -1.256 182 HH11 ARG 29 1HH1 ARG 29 -0.744 1.997 -3.848 183 HH12 ARG 29 2HH1 ARG 29 -2.229 2.915 -3.850 184 HH21 ARG 29 1HH2 ARG 29 -3.926 0.604 -1.735 185 HH22 ARG 29 2HH2 ARG 29 -4.127 1.900 -2.857 186 H ASN 30 H ASN 30 -1.040 1.435 0.868 187 HA ASN 30 HA ASN 30 -1.238 3.602 -0.919 188 HB3 ASN 30 2HB ASN 30 -3.251 2.263 0.035 189 HD21 ASN 30 1HD2 ASN 30 -4.070 1.359 1.719 190 HD22 ASN 30 2HD2 ASN 30 -3.888 1.887 3.384 191 H ARG 31 H ARG 31 -0.605 3.683 2.617 192 HA ARG 31 HA ARG 31 -1.019 6.482 2.840 193 HB3 ARG 31 2HB ARG 31 0.625 4.582 4.584 194 HG3 ARG 31 2HG ARG 31 -0.713 7.228 5.309 195 HD3 ARG 31 2HD ARG 31 1.027 5.256 6.846 196 HE ARG 31 HE ARG 31 0.166 8.028 7.560 197 HH11 ARG 31 1HH1 ARG 31 2.410 5.362 8.364 198 HH12 ARG 31 2HH1 ARG 31 3.707 6.484 8.755 199 HH21 ARG 31 1HH2 ARG 31 2.073 9.218 7.578 200 HH22 ARG 31 2HH2 ARG 31 3.335 8.792 8.601 201 H LEU 32 H LEU 32 1.881 4.461 2.574 202 HA LEU 32 HA LEU 32 3.899 6.408 2.618 203 HB3 LEU 32 2HB LEU 32 5.309 4.788 1.506 204 HG LEU 32 HG LEU 32 3.333 3.138 3.138 205 HD11 LEU 32 1HD1 LEU 32 4.884 1.813 1.700 206 HD12 LEU 32 2HD1 LEU 32 5.177 1.572 3.428 207 HD13 LEU 32 3HD1 LEU 32 6.262 2.612 2.486 208 HD21 LEU 32 3HD2 LEU 32 4.169 4.950 4.547 209 HD22 LEU 32 1HD2 LEU 32 5.843 4.626 4.028 210 HD23 LEU 32 2HD2 LEU 32 4.965 3.439 5.005 211 H LEU 33 H LEU 33 1.963 5.168 -0.116 212 HA LEU 33 HA LEU 33 3.356 6.719 -2.098 213 HB3 LEU 33 2HB LEU 33 0.655 5.336 -2.355 214 HG LEU 33 HG LEU 33 1.602 6.523 -4.405 215 HD11 LEU 33 1HD1 LEU 33 4.022 6.128 -4.035 216 HD12 LEU 33 2HD1 LEU 33 3.531 5.312 -5.526 217 HD13 LEU 33 3HD1 LEU 33 3.727 4.356 -4.060 218 HD21 LEU 33 3HD2 LEU 33 1.417 4.535 -5.875 219 HD22 LEU 33 1HD2 LEU 33 0.121 4.540 -4.621 220 HD23 LEU 33 2HD2 LEU 33 1.552 3.487 -4.455 221 H GLY 34 H GLY 34 0.272 7.077 -0.315 222 HA2 GLY 34 1HA GLY 34 -0.806 9.222 -1.801 223 HA3 GLY 34 2HA GLY 34 -1.172 8.806 -0.119 224 H GLU 35 H GLU 35 1.331 9.153 1.128 225 HA GLU 35 HA GLU 35 1.460 11.940 1.486 226 HB3 GLU 35 2HB GLU 35 3.692 11.394 2.600 227 HG3 GLU 35 2HG GLU 35 1.223 9.838 3.426 228 H TRP 36 H TRP 36 3.148 9.905 -0.875 229 HA TRP 36 HA TRP 36 5.038 11.946 -1.763 230 HB3 TRP 36 2HB TRP 36 4.029 9.354 -2.935 231 HD1 TRP 36 HD TRP 36 7.154 11.484 -3.854 232 HE1 TRP 36 1HE TRP 36 7.421 11.481 -6.328 233 HE3 TRP 36 3HE TRP 36 2.730 9.174 -5.081 234 HZ2 TRP 36 2HZ TRP 36 5.818 10.673 -8.674 235 HZ3 TRP 36 3HZ TRP 36 2.029 9.117 -7.479 236 HH2 TRP 36 HH TRP 36 3.618 9.770 -9.262 237 H ALA 37 H ALA 37 2.004 10.594 -3.286 238 HA ALA 37 HA ALA 37 1.940 12.499 -5.334 239 HB1 ALA 37 1HB ALA 37 -0.516 11.834 -5.461 240 HB2 ALA 37 2HB ALA 37 0.660 10.512 -5.538 241 HB3 ALA 37 3HB ALA 37 -0.212 10.824 -4.031 242 H ALA 38 H ALA 38 0.581 12.793 -2.019 243 HA ALA 38 HA ALA 38 -0.905 15.136 -2.194 244 HB1 ALA 38 1HB ALA 38 -0.602 13.824 -0.139 245 HB2 ALA 38 2HB ALA 38 1.110 14.285 -0.068 246 HB3 ALA 38 3HB ALA 38 -0.137 15.517 0.120 247 H GLY 39 H GLY 39 2.687 14.856 -1.997 248 HA2 GLY 39 1HA GLY 39 3.150 17.694 -1.876 249 HA3 GLY 39 2HA GLY 39 4.350 16.430 -2.131 250 H LEU 40 H LEU 40 2.215 15.698 -4.449 251 HA LEU 40 HA LEU 40 3.535 17.338 -6.546 252 HB3 LEU 40 2HB LEU 40 2.613 15.558 -8.038 253 HG LEU 40 HG LEU 40 4.137 14.338 -5.699 254 HD11 LEU 40 1HD1 LEU 40 3.709 13.563 -8.630 255 HD12 LEU 40 2HD1 LEU 40 3.238 12.633 -7.186 256 HD13 LEU 40 3HD1 LEU 40 4.948 12.852 -7.589 257 HD21 LEU 40 3HD2 LEU 40 5.380 16.240 -6.535 258 HD22 LEU 40 1HD2 LEU 40 5.068 15.768 -8.221 259 HD23 LEU 40 2HD2 LEU 40 6.133 14.771 -7.159 260 H LEU 41 H LEU 41 0.322 16.475 -5.224 261 HA LEU 41 HA LEU 41 -1.149 18.083 -7.170 262 HB3 LEU 41 2HB LEU 41 -2.851 18.190 -5.281 263 HG LEU 41 HG LEU 41 -3.625 15.975 -5.430 264 HD11 LEU 41 1HD1 LEU 41 -3.985 17.513 -7.340 265 HD12 LEU 41 2HD1 LEU 41 -4.032 15.805 -7.769 266 HD13 LEU 41 3HD1 LEU 41 -2.596 16.749 -8.167 267 HD21 LEU 41 3HD2 LEU 41 -1.033 15.151 -6.571 268 HD22 LEU 41 1HD2 LEU 41 -2.528 14.179 -6.633 269 HD23 LEU 41 2HD2 LEU 41 -1.815 14.612 -5.077 270 H GLY 42 H GLY 42 0.483 18.618 -4.206 271 HA2 GLY 42 1HA GLY 42 1.661 20.693 -3.687 272 HA3 GLY 42 2HA GLY 42 0.447 21.587 -4.629 273 H LYS 43 H LYS 43 0.520 19.204 -1.945 274 HA LYS 43 HA LYS 43 -1.490 20.847 -0.470 275 HB3 LYS 43 2HB LYS 43 -2.075 18.807 0.704 276 HG3 LYS 43 2HG LYS 43 -3.019 17.361 -0.971 277 HD3 LYS 43 2HD LYS 43 -3.060 20.254 -1.954 278 HE3 LYS 43 2HE LYS 43 -5.109 18.098 -2.512 279 HZ1 LYS 43 3HZ LYS 43 -5.760 20.396 -2.890 280 HZ2 LYS 43 1HZ LYS 43 -5.639 19.624 -4.319 281 HZ3 LYS 43 2HZ LYS 43 -4.458 20.667 -3.855 282 H THR 44 H THR 44 -1.163 20.997 1.739 283 HA THR 44 HA THR 44 1.418 20.536 3.024 284 HB THR 44 HB THR 44 1.146 23.166 3.601 285 HG1 THR 44 1HG THR 44 -0.674 23.086 1.825 286 HG21 THR 44 3HG2 THR 44 2.396 22.170 1.040 287 HG22 THR 44 1HG2 THR 44 3.143 22.103 2.649 288 HG23 THR 44 2HG2 THR 44 2.793 23.677 1.903 289 H GLY 45 H GLY 45 0.866 22.137 5.280 290 HA2 GLY 45 1HA GLY 45 -0.488 22.488 6.999 291 HA3 GLY 45 2HA GLY 45 -1.859 22.309 5.902 292 H ASP 46 H ASP 46 -3.174 20.693 6.326 293 HA ASP 46 HA ASP 46 -2.123 18.058 7.194 294 HB3 ASP 46 2HB ASP 46 -4.391 17.828 8.401 295 H ASP 47 H ASP 47 -3.285 19.773 4.705 296 HA ASP 47 HA ASP 47 -5.399 18.142 3.573 297 HB3 ASP 47 2HB ASP 47 -4.301 19.202 1.424 298 H ALA 48 H ALA 48 -1.851 18.150 3.668 299 HA ALA 48 HA ALA 48 -1.525 16.372 1.414 300 HB1 ALA 48 1HB ALA 48 0.838 16.330 2.111 301 HB2 ALA 48 2HB ALA 48 0.235 17.995 2.217 302 HB3 ALA 48 3HB ALA 48 0.410 17.008 3.687 303 H ARG 49 H ARG 49 -1.657 16.087 4.907 304 HA ARG 49 HA ARG 49 -1.477 13.225 5.021 305 HB3 ARG 49 2HB ARG 49 -2.657 13.453 7.204 306 HG3 ARG 49 2HG ARG 49 -0.650 15.734 6.891 307 HD3 ARG 49 2HD ARG 49 -2.359 15.237 8.965 308 HE ARG 49 HE ARG 49 -0.520 13.138 9.263 309 HH11 ARG 49 1HH1 ARG 49 -1.684 15.911 11.125 310 HH12 ARG 49 2HH1 ARG 49 -1.187 15.287 12.667 311 HH21 ARG 49 1HH2 ARG 49 0.040 12.240 11.237 312 HH22 ARG 49 2HH2 ARG 49 0.088 13.213 12.694 313 H ALA 50 H ALA 50 -4.398 15.382 4.929 314 HA ALA 50 HA ALA 50 -6.231 13.349 4.907 315 HB1 ALA 50 1HB ALA 50 -7.777 14.965 3.800 316 HB2 ALA 50 2HB ALA 50 -6.843 15.725 5.102 317 HB3 ALA 50 3HB ALA 50 -6.405 16.002 3.398 318 H TYR 51 H TYR 51 -4.468 14.561 2.058 319 HA TYR 51 HA TYR 51 -5.766 13.117 0.038 320 HB3 TYR 51 2HB TYR 51 -2.850 13.854 0.351 321 HD1 TYR 51 1HD TYR 51 -2.210 11.793 -0.898 322 HD2 TYR 51 2HD TYR 51 -4.731 14.842 -2.628 323 HE1 TYR 51 1HE TYR 51 -2.114 10.642 -3.050 324 HE2 TYR 51 2HE TYR 51 -4.553 13.752 -4.831 325 HH TYR 51 HH TYR 51 -4.128 11.688 -5.805 326 H ALA 52 H ALA 52 -3.402 11.959 2.401 327 HA ALA 52 HA ALA 52 -3.017 9.319 1.209 328 HB1 ALA 52 1HB ALA 52 -2.356 10.348 4.000 329 HB2 ALA 52 2HB ALA 52 -1.616 8.964 3.167 330 HB3 ALA 52 3HB ALA 52 -1.289 10.608 2.585 331 H LEU 53 H LEU 53 -5.196 10.765 3.554 332 HA LEU 53 HA LEU 53 -5.940 8.106 4.685 333 HB3 LEU 53 2HB LEU 53 -6.815 9.197 6.521 334 HG LEU 53 HG LEU 53 -5.145 11.466 5.468 335 HD11 LEU 53 1HD1 LEU 53 -5.110 12.361 7.741 336 HD12 LEU 53 2HD1 LEU 53 -6.105 11.012 8.310 337 HD13 LEU 53 3HD1 LEU 53 -6.776 12.213 7.185 338 HD21 LEU 53 3HD2 LEU 53 -3.725 9.520 5.862 339 HD22 LEU 53 1HD2 LEU 53 -4.293 9.475 7.555 340 HD23 LEU 53 2HD2 LEU 53 -3.393 10.891 6.946 341 H THR 54 H THR 54 -6.843 9.093 1.880 342 HA THR 54 HA THR 54 -9.767 8.788 2.336 343 HB THR 54 HB THR 54 -8.993 10.879 1.405 344 HG1 THR 54 1HG THR 54 -10.795 10.822 0.533 345 HG21 THR 54 3HG2 THR 54 -8.008 11.182 -0.697 346 HG22 THR 54 1HG2 THR 54 -8.177 9.478 -1.151 347 HG23 THR 54 2HG2 THR 54 -7.016 9.973 0.103 348 H VAL 55 H VAL 55 -7.142 7.688 0.167 349 HA VAL 55 HA VAL 55 -8.604 5.885 -1.314 350 HB VAL 55 HB VAL 55 -6.314 5.060 -1.932 351 HG11 VAL 55 1HG1 VAL 55 -6.542 8.087 -1.964 352 HG12 VAL 55 2HG1 VAL 55 -5.686 7.039 -3.100 353 HG13 VAL 55 3HG1 VAL 55 -7.452 7.005 -3.043 354 HG21 VAL 55 3HG2 VAL 55 -5.258 7.187 -0.047 355 HG22 VAL 55 1HG2 VAL 55 -5.241 5.446 0.297 356 HG23 VAL 55 2HG2 VAL 55 -4.339 6.096 -1.088 357 H VAL 56 H VAL 56 -8.481 5.252 1.865 358 HA VAL 56 HA VAL 56 -7.687 2.396 1.580 359 HB VAL 56 HB VAL 56 -5.856 3.407 2.331 360 HG11 VAL 56 1HG1 VAL 56 -6.494 5.588 3.111 361 HG12 VAL 56 2HG1 VAL 56 -7.323 4.887 4.528 362 HG13 VAL 56 3HG1 VAL 56 -5.555 4.764 4.341 363 HG21 VAL 56 3HG2 VAL 56 -7.157 2.187 4.797 364 HG22 VAL 56 1HG2 VAL 56 -6.396 1.303 3.458 365 HG23 VAL 56 2HG2 VAL 56 -5.422 2.353 4.511 366 H THR 57 H THR 57 -10.049 2.120 1.348 367 HA THR 57 HA THR 57 -11.376 1.711 3.921 368 HB THR 57 HB THR 57 -11.972 3.981 3.697 369 HG1 THR 57 1HG THR 57 -13.848 3.049 4.208 370 HG21 THR 57 3HG2 THR 57 -11.405 4.433 1.319 371 HG22 THR 57 1HG2 THR 57 -12.994 5.038 1.770 372 HG23 THR 57 2HG2 THR 57 -12.868 3.555 0.816 373 H SER 58 H SER 58 -11.593 1.763 0.365 374 HA SER 58 HA SER 58 -13.429 -0.610 0.474 375 HB3 SER 58 2HB SER 58 -14.465 0.336 -1.546 376 HG SER 58 HG SER 58 -15.465 0.911 0.334 377 H ASP 59 H ASP 59 -10.935 -1.485 0.448 378 HA ASP 59 HA ASP 59 -10.828 -2.733 -2.159 379 HB3 ASP 59 2HB ASP 59 -8.304 -2.583 -2.122 380 H PHE 60 H PHE 60 -10.094 -4.908 -1.798 381 HA PHE 60 HA PHE 60 -9.473 -5.676 1.019 382 HB3 PHE 60 2HB PHE 60 -11.669 -7.158 -0.363 383 HD1 PHE 60 1HD PHE 60 -10.933 -4.950 2.631 384 HD2 PHE 60 2HD PHE 60 -12.722 -8.598 1.164 385 HE1 PHE 60 1HE PHE 60 -11.492 -5.610 4.944 386 HE2 PHE 60 2HE PHE 60 -13.316 -9.237 3.466 387 HZ PHE 60 HZ PHE 60 -12.696 -7.751 5.383 388 H ASP 61 H ASP 61 -9.119 -6.356 -2.389 389 HA ASP 61 HA ASP 61 -7.541 -8.754 -2.004 390 HB3 ASP 61 2HB ASP 61 -9.793 -9.712 -1.786 391 H GLU 62 H GLU 62 -6.360 -9.171 -3.981 392 HA GLU 62 HA GLU 62 -6.749 -7.098 -6.083 393 HB3 GLU 62 2HB GLU 62 -4.858 -6.459 -4.903 394 HG3 GLU 62 2HG GLU 62 -3.951 -9.348 -4.973 395 HA PRO 63 HA PRO 63 -7.159 -11.124 -8.302 396 HB3 PRO 63 2HB PRO 63 -9.444 -11.160 -8.210 397 HG3 PRO 63 2HG PRO 63 -10.703 -9.192 -7.808 398 HD3 PRO 63 2HD PRO 63 -9.062 -9.344 -6.117 399 H GLY 64 H GLY 64 -6.927 -7.758 -9.118 400 HA2 GLY 64 1HA GLY 64 -4.798 -7.681 -10.740 401 HA3 GLY 64 2HA GLY 64 -6.060 -8.165 -11.896 402 H ASP 65 H ASP 65 -6.846 -6.489 -12.963 403 HA ASP 65 HA ASP 65 -7.785 -4.667 -13.595 404 HB3 ASP 65 2HB ASP 65 -8.488 -3.924 -10.754 405 H GLU 66 H GLU 66 -6.020 -3.779 -10.653 406 HA GLU 66 HA GLU 66 -4.734 -1.993 -10.082 407 HB3 GLU 66 2HB GLU 66 -2.815 -1.578 -11.630 408 HG3 GLU 66 2HG GLU 66 -3.393 -4.510 -11.085 409 H ASP 67 H ASP 67 -7.185 -1.067 -10.954 410 HA ASP 67 HA ASP 67 -6.901 1.142 -12.841 411 HB3 ASP 67 2HB ASP 67 -9.154 0.944 -10.860 412 H VAL 68 H VAL 68 -6.081 0.640 -9.653 413 HA VAL 68 HA VAL 68 -5.955 3.133 -8.389 414 HB VAL 68 HB VAL 68 -5.402 0.876 -7.550 415 HG11 VAL 68 1HG1 VAL 68 -4.100 -0.006 -9.408 416 HG12 VAL 68 2HG1 VAL 68 -2.761 1.095 -9.041 417 HG13 VAL 68 3HG1 VAL 68 -3.215 -0.156 -7.895 418 HG21 VAL 68 3HG2 VAL 68 -3.037 2.778 -7.183 419 HG22 VAL 68 1HG2 VAL 68 -4.610 2.986 -6.393 420 HG23 VAL 68 2HG2 VAL 68 -3.627 1.554 -6.034 421 H PHE 69 H PHE 69 -3.939 1.803 -11.079 422 HA PHE 69 HA PHE 69 -2.086 4.027 -11.110 423 HB3 PHE 69 2HB PHE 69 -2.787 1.762 -13.001 424 HD1 PHE 69 1HD PHE 69 0.561 3.534 -12.703 425 HD2 PHE 69 2HD PHE 69 -2.954 2.738 -15.155 426 HE1 PHE 69 1HE PHE 69 1.662 4.482 -14.627 427 HE2 PHE 69 2HE PHE 69 -1.781 3.693 -17.105 428 HZ PHE 69 HZ PHE 69 0.512 4.585 -16.861 429 H ARG 70 H ARG 70 -5.120 3.222 -12.866 430 HA ARG 70 HA ARG 70 -5.163 5.632 -14.451 431 HB3 ARG 70 2HB ARG 70 -7.781 4.880 -14.327 432 HG3 ARG 70 2HG ARG 70 -6.829 2.736 -15.752 433 HD3 ARG 70 2HD ARG 70 -8.293 4.451 -16.675 434 HE ARG 70 HE ARG 70 -6.373 6.367 -16.089 435 HH11 ARG 70 1HH1 ARG 70 -7.879 5.268 -19.099 436 HH12 ARG 70 2HH1 ARG 70 -8.252 6.849 -19.678 437 HH21 ARG 70 1HH2 ARG 70 -6.366 8.551 -17.193 438 HH22 ARG 70 2HH2 ARG 70 -7.220 8.651 -18.665 439 H LYS 71 H LYS 71 -6.158 4.919 -11.149 440 HA LYS 71 HA LYS 71 -7.551 7.389 -10.684 441 HB3 LYS 71 2HB LYS 71 -6.205 6.220 -8.331 442 HG3 LYS 71 2HG LYS 71 -8.423 7.638 -8.473 443 HD3 LYS 71 2HD LYS 71 -9.333 4.811 -9.158 444 HE3 LYS 71 2HE LYS 71 -11.085 6.974 -7.925 445 HZ1 LYS 71 3HZ LYS 71 -11.495 4.072 -8.382 446 HZ2 LYS 71 1HZ LYS 71 -12.204 5.257 -9.253 447 HZ3 LYS 71 2HZ LYS 71 -12.583 5.055 -7.668 448 H LEU 72 H LEU 72 -4.245 6.330 -9.699 449 HA LEU 72 HA LEU 72 -3.476 8.855 -8.696 450 HB3 LEU 72 2HB LEU 72 -1.099 7.941 -8.965 451 HG LEU 72 HG LEU 72 -3.213 6.415 -7.437 452 HD11 LEU 72 1HD1 LEU 72 -1.766 4.643 -8.358 453 HD12 LEU 72 2HD1 LEU 72 -1.557 4.809 -6.610 454 HD13 LEU 72 3HD1 LEU 72 -0.330 5.469 -7.716 455 HD21 LEU 72 3HD2 LEU 72 -2.298 8.338 -6.309 456 HD22 LEU 72 1HD2 LEU 72 -0.628 7.873 -6.680 457 HD23 LEU 72 2HD2 LEU 72 -1.597 6.931 -5.524 458 H ALA 73 H ALA 73 -3.097 7.502 -12.007 459 HA ALA 73 HA ALA 73 -1.534 9.583 -13.114 460 HB1 ALA 73 1HB ALA 73 -1.964 7.557 -14.411 461 HB2 ALA 73 2HB ALA 73 -3.711 7.877 -14.408 462 HB3 ALA 73 3HB ALA 73 -2.598 8.942 -15.283 463 H ALA 74 H ALA 74 -5.105 9.275 -12.847 464 HA ALA 74 HA ALA 74 -5.638 11.751 -14.195 465 HB1 ALA 74 1HB ALA 74 -7.314 9.965 -13.986 466 HB2 ALA 74 2HB ALA 74 -7.315 10.151 -12.221 467 HB3 ALA 74 3HB ALA 74 -7.924 11.455 -13.250 468 H ASP 75 H ASP 75 -4.523 11.130 -10.967 469 HA ASP 75 HA ASP 75 -5.433 13.703 -9.836 470 HB3 ASP 75 2HB ASP 75 -3.267 12.595 -8.341 471 H LEU 76 H LEU 76 -2.552 12.255 -11.368 472 HA LEU 76 HA LEU 76 -0.978 14.728 -10.842 473 HB3 LEU 76 2HB LEU 76 0.987 13.311 -10.968 474 HG LEU 76 HG LEU 76 -1.097 11.896 -9.300 475 HD11 LEU 76 1HD1 LEU 76 0.810 11.138 -7.957 476 HD12 LEU 76 2HD1 LEU 76 1.927 11.948 -9.075 477 HD13 LEU 76 3HD1 LEU 76 0.935 10.579 -9.633 478 HD21 LEU 76 3HD2 LEU 76 -1.111 14.177 -8.585 479 HD22 LEU 76 1HD2 LEU 76 0.686 14.222 -8.613 480 HD23 LEU 76 2HD2 LEU 76 -0.196 13.249 -7.406 481 H GLU 77 H GLU 77 -2.789 14.160 -13.210 482 HA GLU 77 HA GLU 77 -1.413 13.683 -15.565 483 HB3 GLU 77 2HB GLU 77 -3.610 15.749 -15.250 484 HG3 GLU 77 2HG GLU 77 -2.488 14.982 -17.582 485 H GLY 78 H GLY 78 0.565 14.613 -15.982 486 HA2 GLY 78 1HA GLY 78 1.944 16.339 -16.804 487 HA3 GLY 78 2HA GLY 78 0.717 17.531 -16.380 488 H LYS 79 H LYS 79 1.579 15.368 -13.784 489 HA LYS 79 HA LYS 79 3.740 17.192 -12.797 490 HB3 LYS 79 2HB LYS 79 3.014 16.718 -10.508 491 HG3 LYS 79 2HG LYS 79 2.119 18.716 -11.831 492 HD3 LYS 79 2HD LYS 79 -0.111 16.826 -12.262 493 HE3 LYS 79 2HE LYS 79 -0.479 18.848 -10.259 494 HZ1 LYS 79 3HZ LYS 79 -1.153 20.255 -12.056 495 HZ2 LYS 79 1HZ LYS 79 -2.469 19.830 -11.182 496 HZ3 LYS 79 2HZ LYS 79 -2.239 19.116 -12.631 497 H ALA 80 H ALA 80 2.546 13.848 -13.197 498 HA ALA 80 HA ALA 80 5.213 12.871 -13.025 499 HB1 ALA 80 1HB ALA 80 4.623 11.072 -11.381 500 HB2 ALA 80 2HB ALA 80 4.625 12.672 -10.616 501 HB3 ALA 80 3HB ALA 80 3.086 11.883 -11.057 502 H ASP 81 H ASP 81 5.248 11.058 -14.332 503 HA ASP 81 HA ASP 81 2.647 10.213 -15.548 504 HB3 ASP 81 2HB ASP 81 3.820 9.714 -17.577 505 H GLU 82 H GLU 82 3.255 7.957 -16.716 506 HA GLU 82 HA GLU 82 3.057 6.063 -14.769 507 HB3 GLU 82 2HB GLU 82 4.012 5.897 -17.656 508 HG3 GLU 82 2HG GLU 82 2.725 3.550 -17.291 509 H GLU 83 H GLU 83 6.000 6.904 -16.505 510 HA GLU 83 HA GLU 83 7.921 5.192 -15.437 511 HB3 GLU 83 2HB GLU 83 8.126 8.099 -16.229 512 HG3 GLU 83 2HG GLU 83 10.067 6.084 -17.296 513 H THR 84 H THR 84 6.199 7.553 -13.677 514 HA THR 84 HA THR 84 8.261 7.601 -11.527 515 HB THR 84 HB THR 84 6.219 9.764 -12.146 516 HG1 THR 84 1HG THR 84 7.725 9.973 -13.742 517 HG21 THR 84 3HG2 THR 84 8.719 9.983 -10.454 518 HG22 THR 84 1HG2 THR 84 7.204 9.432 -9.743 519 HG23 THR 84 2HG2 THR 84 7.306 11.053 -10.474 520 H ILE 85 H ILE 85 4.717 7.603 -12.263 521 HA ILE 85 HA ILE 85 3.865 7.094 -9.620 522 HB ILE 85 HB ILE 85 2.606 6.289 -12.270 523 HG13 ILE 85 2HG1 ILE 85 3.152 8.839 -11.823 524 HG21 ILE 85 1HG2 ILE 85 1.650 6.116 -9.436 525 HG22 ILE 85 2HG2 ILE 85 0.472 6.649 -10.616 526 HG23 ILE 85 3HG2 ILE 85 1.284 5.095 -10.829 527 HD11 ILE 85 3HD1 ILE 85 1.234 8.220 -13.342 528 HD12 ILE 85 1HD1 ILE 85 0.169 8.452 -11.925 529 HD13 ILE 85 2HD1 ILE 85 1.136 9.792 -12.531 530 H ARG 86 H ARG 86 4.337 4.773 -12.348 531 HA ARG 86 HA ARG 86 3.814 2.426 -10.725 532 HB3 ARG 86 2HB ARG 86 5.440 1.588 -12.810 533 HG3 ARG 86 2HG ARG 86 3.098 1.569 -14.133 534 HD3 ARG 86 2HD ARG 86 2.403 -0.437 -12.845 535 HE ARG 86 HE ARG 86 4.873 -0.053 -14.186 536 HH11 ARG 86 1HH1 ARG 86 3.224 -2.642 -12.319 537 HH12 ARG 86 2HH1 ARG 86 4.274 -3.844 -12.913 538 HH21 ARG 86 1HH2 ARG 86 6.378 -1.670 -14.746 539 HH22 ARG 86 2HH2 ARG 86 6.268 -3.225 -13.994 540 H ALA 87 H ALA 87 6.581 4.451 -11.415 541 HA ALA 87 HA ALA 87 8.569 2.580 -10.434 542 HB1 ALA 87 1HB ALA 87 8.805 5.609 -10.437 543 HB2 ALA 87 2HB ALA 87 10.113 4.420 -10.328 544 HB3 ALA 87 3HB ALA 87 9.170 4.543 -11.817 545 H LYS 88 H LYS 88 7.032 5.396 -8.775 546 HA LYS 88 HA LYS 88 8.009 4.798 -6.187 547 HB3 LYS 88 2HB LYS 88 5.942 6.123 -5.405 548 HG3 LYS 88 2HG LYS 88 6.788 8.229 -6.725 549 HD3 LYS 88 2HD LYS 88 8.650 6.568 -4.968 550 HE3 LYS 88 2HE LYS 88 9.542 8.864 -4.315 551 HZ1 LYS 88 3HZ LYS 88 10.280 8.161 -7.078 552 HZ2 LYS 88 1HZ LYS 88 10.815 7.298 -5.754 553 HZ3 LYS 88 2HZ LYS 88 11.175 8.911 -5.979 554 H MET 89 H MET 89 5.072 3.619 -7.849 555 HA MET 89 HA MET 89 3.952 2.303 -5.622 556 HB3 MET 89 2HB MET 89 3.758 1.833 -8.591 557 HG3 MET 89 2HG MET 89 2.583 0.210 -6.353 558 HE1 MET 89 3HE MET 89 0.063 -0.800 -9.915 559 HE2 MET 89 1HE MET 89 1.771 -0.367 -10.127 560 HE3 MET 89 2HE MET 89 1.316 -1.704 -9.047 561 H VAL 90 H VAL 90 6.329 1.051 -8.052 562 HA VAL 90 HA VAL 90 6.709 -1.502 -6.836 563 HB VAL 90 HB VAL 90 8.382 0.196 -8.719 564 HG11 VAL 90 1HG1 VAL 90 9.587 -1.892 -9.301 565 HG12 VAL 90 2HG1 VAL 90 9.877 -1.461 -7.613 566 HG13 VAL 90 3HG1 VAL 90 8.758 -2.746 -8.022 567 HG21 VAL 90 3HG2 VAL 90 6.082 -0.694 -9.505 568 HG22 VAL 90 1HG2 VAL 90 7.482 -1.153 -10.475 569 HG23 VAL 90 2HG2 VAL 90 6.772 -2.320 -9.343 570 H GLU 91 H GLU 91 8.482 1.612 -6.489 571 HA GLU 91 HA GLU 91 10.481 0.784 -4.680 572 HB3 GLU 91 2HB GLU 91 9.144 3.488 -5.041 573 HG3 GLU 91 2HG GLU 91 11.844 2.709 -3.932 574 H LEU 92 H LEU 92 7.103 0.999 -4.044 575 HA LEU 92 HA LEU 92 7.606 0.839 -1.125 576 HB3 LEU 92 2HB LEU 92 5.414 2.002 -0.919 577 HG LEU 92 HG LEU 92 7.461 3.590 -2.547 578 HD11 LEU 92 1HD1 LEU 92 6.266 5.596 -1.547 579 HD12 LEU 92 2HD1 LEU 92 4.906 4.501 -1.205 580 HD13 LEU 92 3HD1 LEU 92 5.482 4.755 -2.869 581 HD21 LEU 92 3HD2 LEU 92 8.068 4.566 -0.395 582 HD22 LEU 92 1HD2 LEU 92 8.267 2.813 -0.363 583 HD23 LEU 92 2HD2 LEU 92 6.866 3.547 0.433 584 H ARG 93 H ARG 93 7.555 -1.281 -3.128 585 HA ARG 93 HA ARG 93 5.078 -2.708 -2.284 586 HB3 ARG 93 2HB ARG 93 6.486 -3.842 -4.604 587 HG3 ARG 93 2HG ARG 93 4.124 -4.274 -3.802 588 HD3 ARG 93 2HD ARG 93 3.445 -1.777 -5.385 589 HE ARG 93 HE ARG 93 1.391 -2.730 -5.091 590 HH11 ARG 93 1HH1 ARG 93 3.231 -3.505 -2.112 591 HH12 ARG 93 2HH1 ARG 93 1.871 -4.371 -1.455 592 HH21 ARG 93 1HH2 ARG 93 -0.298 -3.855 -4.084 593 HH22 ARG 93 2HH2 ARG 93 -0.092 -4.497 -2.498 594 H ALA 94 H ALA 94 8.290 -3.792 -3.480 595 HA ALA 94 HA ALA 94 8.625 -5.993 -1.788 596 HB1 ALA 94 1HB ALA 94 10.029 -5.420 -3.747 597 HB2 ALA 94 2HB ALA 94 10.663 -3.998 -2.886 598 HB3 ALA 94 3HB ALA 94 11.037 -5.628 -2.319 599 H THR 95 H THR 95 9.267 -2.540 -1.179 600 HA THR 95 HA THR 95 10.492 -2.828 1.346 601 HB THR 95 HB THR 95 8.743 -0.440 0.636 602 HG1 THR 95 1HG THR 95 11.197 -1.248 -0.562 603 HG21 THR 95 3HG2 THR 95 10.576 0.775 1.744 604 HG22 THR 95 1HG2 THR 95 11.571 -0.689 1.817 605 HG23 THR 95 2HG2 THR 95 10.106 -0.571 2.791 606 H ALA 96 H ALA 96 7.031 -2.479 0.404 607 HA ALA 96 HA ALA 96 6.030 -2.185 3.081 608 HB1 ALA 96 1HB ALA 96 3.846 -2.673 2.099 609 HB2 ALA 96 2HB ALA 96 4.699 -1.444 1.160 610 HB3 ALA 96 3HB ALA 96 4.604 -3.124 0.561 611 H ARG 97 H ARG 97 6.593 -5.023 0.905 612 HA ARG 97 HA ARG 97 5.531 -7.065 2.485 613 HB3 ARG 97 2HB ARG 97 7.770 -6.885 0.473 614 HG3 ARG 97 2HG ARG 97 7.071 -9.426 2.053 615 HD3 ARG 97 2HD ARG 97 9.193 -10.185 0.673 616 HE ARG 97 HE ARG 97 6.731 -11.044 0.444 617 HH11 ARG 97 1HH1 ARG 97 9.196 -10.406 -1.942 618 HH12 ARG 97 2HH1 ARG 97 8.404 -11.198 -3.265 619 HH21 ARG 97 1HH2 ARG 97 5.640 -12.148 -1.186 620 HH22 ARG 97 2HH2 ARG 97 6.287 -12.315 -2.799 621 H GLU 98 H GLU 98 8.946 -5.829 2.644 622 HA GLU 98 HA GLU 98 9.522 -7.476 4.907 623 HB3 GLU 98 2HB GLU 98 11.549 -5.771 4.880 624 HG3 GLU 98 2HG GLU 98 10.761 -7.989 3.008 625 H GLN 99 H GLN 99 8.518 -4.063 4.570 626 HA GLN 99 HA GLN 99 8.944 -3.180 7.164 627 HB3 GLN 99 2HB GLN 99 6.740 -1.794 6.572 628 HG3 GLN 99 2HG GLN 99 9.273 -1.383 4.929 629 HE21 GLN 99 1HE2 GLN 99 8.876 0.491 3.608 630 HE22 GLN 99 2HE2 GLN 99 7.796 1.763 4.060 631 H ILE 100 H ILE 100 6.186 -5.167 6.006 632 HA ILE 100 HA ILE 100 4.551 -4.838 8.290 633 HB ILE 100 HB ILE 100 5.004 -7.213 6.427 634 HG13 ILE 100 2HG1 ILE 100 2.718 -6.532 5.444 635 HG21 ILE 100 1HG2 ILE 100 3.928 -8.251 8.294 636 HG22 ILE 100 2HG2 ILE 100 2.717 -6.960 8.414 637 HG23 ILE 100 3HG2 ILE 100 2.710 -8.096 7.048 638 HD11 ILE 100 3HD1 ILE 100 3.313 -3.817 6.647 639 HD12 ILE 100 1HD1 ILE 100 1.928 -4.341 5.671 640 HD13 ILE 100 2HD1 ILE 100 2.099 -4.924 7.340 641 H ILE 101 H ILE 101 7.378 -7.070 7.973 642 HA ILE 101 HA ILE 101 6.631 -8.250 10.583 643 HB ILE 101 HB ILE 101 8.712 -8.841 8.489 644 HG13 ILE 101 2HG1 ILE 101 7.383 -10.477 7.662 645 HG21 ILE 101 1HG2 ILE 101 9.736 -9.476 10.538 646 HG22 ILE 101 2HG2 ILE 101 8.244 -10.204 11.158 647 HG23 ILE 101 3HG2 ILE 101 9.122 -10.966 9.817 648 HD11 ILE 101 3HD1 ILE 101 5.471 -11.604 8.750 649 HD12 ILE 101 1HD1 ILE 101 6.935 -11.882 9.679 650 HD13 ILE 101 2HD1 ILE 101 5.745 -10.677 10.232 651 H SER 102 H SER 102 8.792 -5.997 9.029 652 HA SER 102 HA SER 102 10.714 -5.696 11.161 653 HB3 SER 102 2HB SER 102 9.741 -3.810 9.000 654 HG SER 102 HG SER 102 12.262 -3.792 10.333 655 H GLU 103 H GLU 103 7.389 -4.561 10.724 656 HA GLU 103 HA GLU 103 7.530 -2.543 12.768 657 HB3 GLU 103 2HB GLU 103 5.971 -2.781 10.657 658 HG3 GLU 103 2HG GLU 103 4.102 -3.822 12.797 659 H ILE 104 H ILE 104 7.326 -5.813 12.925 660 HA ILE 104 HA ILE 104 5.699 -5.989 15.395 661 HB ILE 104 HB ILE 104 6.820 -8.298 13.781 662 HG13 ILE 104 2HG1 ILE 104 5.600 -6.989 12.257 663 HG21 ILE 104 1HG2 ILE 104 4.449 -8.111 15.711 664 HG22 ILE 104 2HG2 ILE 104 5.040 -9.582 14.882 665 HG23 ILE 104 3HG2 ILE 104 6.032 -8.800 16.101 666 HD11 ILE 104 3HD1 ILE 104 3.606 -9.087 13.116 667 HD12 ILE 104 1HD1 ILE 104 3.830 -8.399 11.506 668 HD13 ILE 104 2HD1 ILE 104 5.092 -9.443 12.195 Start of MODEL 19 1 H1 MET 1 H MET 1 17.325 -17.789 21.135 2 HA MET 1 HA MET 1 15.656 -17.581 23.583 3 HB3 MET 1 2HB MET 1 15.440 -15.117 22.874 4 HG3 MET 1 2HG MET 1 18.028 -16.279 23.948 5 HE1 MET 1 3HE MET 1 19.539 -15.038 25.586 6 HE2 MET 1 1HE MET 1 19.509 -13.285 25.879 7 HE3 MET 1 2HE MET 1 18.186 -14.310 26.480 8 H THR 2 H THR 2 13.469 -17.177 23.209 9 HA THR 2 HA THR 2 11.507 -17.452 22.157 10 HB THR 2 HB THR 2 12.610 -14.935 20.933 11 HG1 THR 2 1HG THR 2 12.281 -14.216 23.234 12 HG21 THR 2 3HG2 THR 2 10.532 -14.020 21.841 13 HG22 THR 2 1HG2 THR 2 10.157 -15.549 22.650 14 HG23 THR 2 2HG2 THR 2 10.146 -15.444 20.872 15 H THR 3 H THR 3 11.673 -19.393 20.788 16 HA THR 3 HA THR 3 12.537 -19.169 18.040 17 HB THR 3 HB THR 3 11.169 -21.360 17.874 18 HG1 THR 3 1HG THR 3 10.702 -22.280 19.892 19 HG21 THR 3 3HG2 THR 3 13.418 -21.177 19.935 20 HG22 THR 3 1HG2 THR 3 13.617 -21.311 18.172 21 HG23 THR 3 2HG2 THR 3 12.889 -22.646 19.081 22 H PHE 4 H PHE 4 9.260 -19.478 19.470 23 HA PHE 4 HA PHE 4 8.174 -17.833 17.277 24 HB3 PHE 4 2HB PHE 4 7.456 -19.927 16.645 25 HD1 PHE 4 2HD PHE 4 8.783 -21.774 17.655 26 HD2 PHE 4 1HD PHE 4 5.163 -20.319 19.482 27 HE1 PHE 4 2HE PHE 4 8.647 -23.841 19.031 28 HE2 PHE 4 1HE PHE 4 5.019 -22.376 20.833 29 HZ PHE 4 HZ PHE 4 6.758 -24.140 20.627 30 H ASP 5 H ASP 5 7.086 -19.200 20.383 31 HA ASP 5 HA ASP 5 6.536 -18.323 22.373 32 HB3 ASP 5 2HB ASP 5 7.269 -15.558 21.393 33 H ASP 6 H ASP 6 4.456 -18.974 22.142 34 HA ASP 6 HA ASP 6 2.299 -19.148 21.607 35 HB3 ASP 6 2HB ASP 6 2.017 -16.135 21.645 36 H ARG 7 H ARG 7 0.711 -17.539 19.662 37 HA ARG 7 HA ARG 7 0.588 -16.904 17.551 38 HB3 ARG 7 2HB ARG 7 3.540 -16.498 17.208 39 HG3 ARG 7 2HG ARG 7 1.074 -14.696 17.123 40 HD3 ARG 7 2HD ARG 7 2.595 -13.073 15.983 41 HE ARG 7 HE ARG 7 2.824 -13.631 18.849 42 HH11 ARG 7 1HH1 ARG 7 4.871 -11.991 16.607 43 HH12 ARG 7 2HH1 ARG 7 5.088 -10.555 17.541 44 HH21 ARG 7 1HH2 ARG 7 3.421 -12.017 20.288 45 HH22 ARG 7 2HH2 ARG 7 4.078 -10.504 19.718 46 H GLU 8 H GLU 8 0.966 -19.710 18.144 47 HA GLU 8 HA GLU 8 2.341 -20.991 15.918 48 HB3 GLU 8 2HB GLU 8 0.362 -21.928 18.017 49 HG3 GLU 8 2HG GLU 8 1.596 -23.275 15.566 50 H ARG 9 H ARG 9 1.632 -20.568 13.921 51 HA ARG 9 HA ARG 9 0.316 -19.859 12.217 52 HB3 ARG 9 2HB ARG 9 -1.786 -21.041 11.787 53 HG3 ARG 9 2HG ARG 9 0.669 -22.285 11.811 54 HD3 ARG 9 2HD ARG 9 -1.330 -23.594 13.618 55 HE ARG 9 HE ARG 9 0.493 -25.460 12.323 56 HH11 ARG 9 1HH1 ARG 9 -2.847 -24.310 12.710 57 HH12 ARG 9 2HH1 ARG 9 -3.540 -25.705 11.913 58 HH21 ARG 9 1HH2 ARG 9 -0.545 -27.162 10.935 59 HH22 ARG 9 2HH2 ARG 9 -2.276 -27.320 11.093 60 H ALA 10 H ALA 10 -2.244 -19.191 11.935 61 HA ALA 10 HA ALA 10 -3.927 -17.719 12.246 62 HB1 ALA 10 1HB ALA 10 -4.403 -18.425 14.444 63 HB2 ALA 10 2HB ALA 10 -3.001 -17.552 15.112 64 HB3 ALA 10 3HB ALA 10 -4.406 -16.693 14.448 65 H HIS 11 H HIS 11 -0.691 -16.849 12.905 66 HA HIS 11 HA HIS 11 -1.026 -14.210 11.621 67 HB3 HIS 11 2HB HIS 11 1.146 -13.892 13.149 68 HD1 HIS 11 1HD HIS 11 0.097 -11.469 13.327 69 HD2 HIS 11 2HD HIS 11 -2.342 -14.546 14.876 70 HE1 HIS 11 1HE HIS 11 -2.036 -10.397 14.249 71 H GLU 12 H GLU 12 1.710 -16.115 12.474 72 HA GLU 12 HA GLU 12 3.312 -15.813 10.395 73 HB3 GLU 12 2HB GLU 12 4.177 -17.105 12.147 74 HG3 GLU 12 2HG GLU 12 2.185 -19.281 11.486 75 H ALA 13 H ALA 13 1.038 -18.615 10.323 76 HA ALA 13 HA ALA 13 1.708 -19.119 7.518 77 HB1 ALA 13 1HB ALA 13 1.320 -20.943 9.171 78 HB2 ALA 13 2HB ALA 13 -0.357 -20.401 9.360 79 HB3 ALA 13 3HB ALA 13 0.200 -21.015 7.791 80 H LYS 14 H LYS 14 -0.709 -17.340 9.317 81 HA LYS 14 HA LYS 14 -2.915 -17.873 7.593 82 HB3 LYS 14 2HB LYS 14 -2.981 -15.293 9.092 83 HG3 LYS 14 2HG LYS 14 -5.102 -16.473 8.484 84 HD3 LYS 14 2HD LYS 14 -3.818 -18.701 10.057 85 HE3 LYS 14 2HE LYS 14 -5.857 -18.383 11.323 86 HZ1 LYS 14 3HZ LYS 14 -7.249 -17.203 9.939 87 HZ2 LYS 14 1HZ LYS 14 -7.987 -18.666 10.082 88 HZ3 LYS 14 2HZ LYS 14 -7.191 -18.310 8.702 89 H PHE 15 H PHE 15 -0.477 -15.321 7.651 90 HA PHE 15 HA PHE 15 -1.701 -14.061 5.268 91 HB3 PHE 15 2HB PHE 15 0.110 -12.405 5.595 92 HD1 PHE 15 1HD PHE 15 -2.227 -11.313 5.671 93 HD2 PHE 15 2HD PHE 15 -0.377 -13.151 9.122 94 HE1 PHE 15 1HE PHE 15 -3.791 -10.127 7.183 95 HE2 PHE 15 2HE PHE 15 -1.944 -11.930 10.616 96 HZ PHE 15 HZ PHE 15 -3.620 -10.383 9.644 97 H ALA 16 H ALA 16 1.199 -16.049 6.148 98 HA ALA 16 HA ALA 16 2.580 -15.737 3.703 99 HB1 ALA 16 1HB ALA 16 3.575 -16.789 5.697 100 HB2 ALA 16 2HB ALA 16 2.460 -18.167 5.550 101 HB3 ALA 16 3HB ALA 16 3.677 -17.868 4.294 102 H HIS 17 H HIS 17 -0.122 -17.874 4.552 103 HA HIS 17 HA HIS 17 -0.135 -19.296 2.014 104 HB3 HIS 17 2HB HIS 17 -2.333 -20.136 3.018 105 HD1 HIS 17 1HD HIS 17 -1.662 -22.590 3.304 106 HD2 HIS 17 2HD HIS 17 0.968 -19.901 5.167 107 HE1 HIS 17 1HE HIS 17 0.130 -24.004 4.482 108 H ASP 18 H ASP 18 -0.570 -16.185 2.335 109 HA ASP 18 HA ASP 18 -1.414 -14.595 1.129 110 HB3 ASP 18 2HB ASP 18 -2.388 -15.129 -1.145 111 H ALA 19 H ALA 19 -3.957 -14.697 -0.417 112 HA ALA 19 HA ALA 19 -6.064 -13.993 -0.208 113 HB1 ALA 19 1HB ALA 19 -6.154 -15.932 2.119 114 HB2 ALA 19 2HB ALA 19 -7.553 -15.176 1.350 115 HB3 ALA 19 3HB ALA 19 -6.523 -16.279 0.413 116 H GLU 20 H GLU 20 -5.238 -14.244 3.248 117 HA GLU 20 HA GLU 20 -6.533 -11.774 4.110 118 HB3 GLU 20 2HB GLU 20 -4.811 -12.144 6.050 119 HG3 GLU 20 2HG GLU 20 -5.920 -14.337 6.800 120 H LEU 21 H LEU 21 -3.224 -12.777 3.232 121 HA LEU 21 HA LEU 21 -2.118 -10.166 3.531 122 HB3 LEU 21 2HB LEU 21 -1.176 -12.581 1.898 123 HG LEU 21 HG LEU 21 0.217 -10.722 1.228 124 HD11 LEU 21 1HD1 LEU 21 -0.178 -9.123 3.030 125 HD12 LEU 21 2HD1 LEU 21 1.537 -9.417 2.827 126 HD13 LEU 21 3HD1 LEU 21 0.648 -10.176 4.176 127 HD21 LEU 21 3HD2 LEU 21 1.302 -12.893 1.632 128 HD22 LEU 21 1HD2 LEU 21 1.673 -12.419 3.296 129 HD23 LEU 21 2HD2 LEU 21 2.406 -11.556 1.903 130 H ASN 22 H ASN 22 -3.672 -11.716 0.831 131 HA ASN 22 HA ASN 22 -2.715 -9.812 -1.190 132 HB3 ASN 22 2HB ASN 22 -4.870 -10.463 -2.393 133 HD21 ASN 22 1HD2 ASN 22 -4.589 -13.591 -2.390 134 HD22 ASN 22 2HD2 ASN 22 -3.103 -13.793 -3.303 135 H PHE 23 H PHE 23 -5.473 -10.029 1.037 136 HA PHE 23 HA PHE 23 -6.819 -7.737 -0.007 137 HB3 PHE 23 2HB PHE 23 -7.132 -8.755 2.845 138 HD1 PHE 23 1HD PHE 23 -8.014 -6.195 2.884 139 HD2 PHE 23 2HD PHE 23 -9.831 -9.387 0.607 140 HE1 PHE 23 1HE PHE 23 -10.054 -4.825 2.572 141 HE2 PHE 23 2HE PHE 23 -11.857 -8.000 0.298 142 HZ PHE 23 HZ PHE 23 -11.963 -5.713 1.253 143 H LYS 24 H LYS 24 -5.006 -8.106 3.135 144 HA LYS 24 HA LYS 24 -5.163 -5.394 3.789 145 HB3 LYS 24 2HB LYS 24 -3.381 -5.841 5.367 146 HG3 LYS 24 2HG LYS 24 -4.304 -8.463 5.886 147 HD3 LYS 24 2HD LYS 24 -5.753 -7.445 7.607 148 HE3 LYS 24 2HE LYS 24 -3.079 -6.021 7.388 149 HZ1 LYS 24 3HZ LYS 24 -4.250 -6.903 9.922 150 HZ2 LYS 24 1HZ LYS 24 -4.750 -5.478 9.272 151 HZ3 LYS 24 2HZ LYS 24 -3.146 -5.735 9.627 152 H ALA 25 H ALA 25 -2.594 -7.094 1.899 153 HA ALA 25 HA ALA 25 -0.860 -4.821 1.993 154 HB1 ALA 25 1HB ALA 25 -0.084 -7.120 1.722 155 HB2 ALA 25 2HB ALA 25 -0.829 -7.160 0.111 156 HB3 ALA 25 3HB ALA 25 0.517 -6.048 0.433 157 H GLU 26 H GLU 26 -3.651 -5.509 -0.137 158 HA GLU 26 HA GLU 26 -2.769 -3.676 -2.204 159 HB3 GLU 26 2HB GLU 26 -5.272 -3.660 -2.736 160 HG3 GLU 26 2HG GLU 26 -3.845 -6.344 -2.821 161 H ALA 27 H ALA 27 -5.027 -3.447 0.556 162 HA ALA 27 HA ALA 27 -5.561 -0.682 0.436 163 HB1 ALA 27 1HB ALA 27 -6.056 -0.883 2.859 164 HB2 ALA 27 2HB ALA 27 -6.700 -2.265 1.962 165 HB3 ALA 27 3HB ALA 27 -5.227 -2.468 2.904 166 H ARG 28 H ARG 28 -2.949 -2.392 2.158 167 HA ARG 28 HA ARG 28 -1.602 -0.238 3.210 168 HB3 ARG 28 2HB ARG 28 -0.325 -2.788 2.182 169 HG3 ARG 28 2HG ARG 28 1.247 -1.001 3.185 170 HD3 ARG 28 2HD ARG 28 -0.225 -1.915 5.703 171 HE ARG 28 HE ARG 28 2.369 -0.686 5.432 172 HH11 ARG 28 1HH1 ARG 28 -0.577 -0.638 7.485 173 HH12 ARG 28 2HH1 ARG 28 0.259 0.254 8.721 174 HH21 ARG 28 1HH2 ARG 28 3.434 0.103 7.261 175 HH22 ARG 28 2HH2 ARG 28 2.540 0.322 8.746 176 H ARG 29 H ARG 29 -0.984 -1.678 -0.100 177 HA ARG 29 HA ARG 29 1.164 0.111 -0.606 178 HB3 ARG 29 2HB ARG 29 1.032 -1.821 -1.899 179 HG3 ARG 29 2HG ARG 29 -1.385 -2.158 -2.217 180 HD3 ARG 29 2HD ARG 29 -0.995 -0.187 -4.498 181 HE ARG 29 HE ARG 29 -2.047 -2.149 -5.448 182 HH11 ARG 29 1HH1 ARG 29 -4.081 -0.665 -2.982 183 HH12 ARG 29 2HH1 ARG 29 -5.587 -1.076 -3.722 184 HH21 ARG 29 1HH2 ARG 29 -4.014 -3.014 -6.281 185 HH22 ARG 29 2HH2 ARG 29 -5.464 -2.699 -5.430 186 H ASN 30 H ASN 30 -2.328 0.714 -0.928 187 HA ASN 30 HA ASN 30 -1.945 3.098 -2.533 188 HB3 ASN 30 2HB ASN 30 -4.273 3.681 -1.571 189 HD21 ASN 30 1HD2 ASN 30 -6.355 2.507 -2.551 190 HD22 ASN 30 2HD2 ASN 30 -6.036 1.683 -4.036 191 H ARG 31 H ARG 31 -2.435 2.620 1.031 192 HA ARG 31 HA ARG 31 -2.303 5.420 1.634 193 HB3 ARG 31 2HB ARG 31 -3.123 4.104 3.379 194 HG3 ARG 31 2HG ARG 31 -0.530 2.541 3.494 195 HD3 ARG 31 2HD ARG 31 -1.436 3.351 5.720 196 HE ARG 31 HE ARG 31 -3.882 2.638 5.036 197 HH11 ARG 31 1HH1 ARG 31 -1.703 1.771 7.634 198 HH12 ARG 31 2HH1 ARG 31 -2.870 0.985 8.630 199 HH21 ARG 31 1HH2 ARG 31 -5.566 1.832 6.422 200 HH22 ARG 31 2HH2 ARG 31 -5.103 1.425 8.034 201 H LEU 32 H LEU 32 0.259 3.000 1.645 202 HA LEU 32 HA LEU 32 2.495 4.532 2.275 203 HB3 LEU 32 2HB LEU 32 3.453 2.836 0.336 204 HG LEU 32 HG LEU 32 4.266 2.643 2.575 205 HD11 LEU 32 1HD1 LEU 32 3.029 1.577 4.390 206 HD12 LEU 32 2HD1 LEU 32 1.599 1.375 3.352 207 HD13 LEU 32 3HD1 LEU 32 2.154 2.990 3.829 208 HD21 LEU 32 3HD2 LEU 32 4.442 0.655 1.060 209 HD22 LEU 32 1HD2 LEU 32 2.930 0.031 1.749 210 HD23 LEU 32 2HD2 LEU 32 4.374 0.201 2.764 211 H LEU 33 H LEU 33 0.986 4.254 -1.042 212 HA LEU 33 HA LEU 33 2.930 5.969 -2.247 213 HB3 LEU 33 2HB LEU 33 0.658 6.047 -3.798 214 HG LEU 33 HG LEU 33 2.556 3.677 -3.598 215 HD11 LEU 33 1HD1 LEU 33 0.553 4.456 -5.743 216 HD12 LEU 33 2HD1 LEU 33 0.526 3.004 -4.739 217 HD13 LEU 33 3HD1 LEU 33 1.828 3.210 -5.925 218 HD21 LEU 33 3HD2 LEU 33 3.747 5.741 -4.225 219 HD22 LEU 33 1HD2 LEU 33 2.507 6.124 -5.425 220 HD23 LEU 33 2HD2 LEU 33 3.572 4.708 -5.653 221 H GLY 34 H GLY 34 -0.239 6.468 -0.683 222 HA2 GLY 34 1HA GLY 34 -0.737 9.114 -1.498 223 HA3 GLY 34 2HA GLY 34 -1.310 8.343 -0.012 224 H GLU 35 H GLU 35 1.006 7.864 1.382 225 HA GLU 35 HA GLU 35 1.659 10.347 2.575 226 HB3 GLU 35 2HB GLU 35 3.518 8.923 3.666 227 HG3 GLU 35 2HG GLU 35 1.996 7.060 4.571 228 H TRP 36 H TRP 36 2.988 8.957 -0.302 229 HA TRP 36 HA TRP 36 5.418 10.691 -0.278 230 HB3 TRP 36 2HB TRP 36 4.344 8.484 -2.068 231 HD1 TRP 36 HD TRP 36 7.545 10.679 -2.113 232 HE1 TRP 36 1HE TRP 36 8.210 11.106 -4.528 233 HE3 TRP 36 3HE TRP 36 3.633 8.300 -4.468 234 HZ2 TRP 36 2HZ TRP 36 7.325 10.272 -7.183 235 HZ3 TRP 36 3HZ TRP 36 3.573 8.183 -6.941 236 HH2 TRP 36 HH TRP 36 5.397 9.175 -8.293 237 H ALA 37 H ALA 37 2.645 10.033 -2.414 238 HA ALA 37 HA ALA 37 3.088 12.232 -4.061 239 HB1 ALA 37 1HB ALA 37 0.655 11.810 -4.746 240 HB2 ALA 37 2HB ALA 37 1.785 10.440 -4.852 241 HB3 ALA 37 3HB ALA 37 0.647 10.536 -3.504 242 H ALA 38 H ALA 38 1.273 12.261 -0.963 243 HA ALA 38 HA ALA 38 -0.114 14.633 -1.142 244 HB1 ALA 38 1HB ALA 38 -0.041 13.206 0.842 245 HB2 ALA 38 2HB ALA 38 1.659 13.639 1.131 246 HB3 ALA 38 3HB ALA 38 0.383 14.875 1.250 247 H GLY 39 H GLY 39 3.439 14.413 -0.494 248 HA2 GLY 39 1HA GLY 39 3.796 17.268 -0.243 249 HA3 GLY 39 2HA GLY 39 5.067 16.059 -0.380 250 H LEU 40 H LEU 40 3.538 15.199 -2.973 251 HA LEU 40 HA LEU 40 5.066 16.921 -4.807 252 HB3 LEU 40 2HB LEU 40 4.250 15.336 -6.527 253 HG LEU 40 HG LEU 40 5.123 13.922 -3.974 254 HD11 LEU 40 1HD1 LEU 40 5.633 12.731 -6.668 255 HD12 LEU 40 2HD1 LEU 40 3.972 12.630 -6.045 256 HD13 LEU 40 3HD1 LEU 40 5.302 12.001 -5.093 257 HD21 LEU 40 3HD2 LEU 40 6.833 15.446 -4.629 258 HD22 LEU 40 1HD2 LEU 40 6.650 15.070 -6.352 259 HD23 LEU 40 2HD2 LEU 40 7.357 13.876 -5.209 260 H LEU 41 H LEU 41 1.619 16.174 -4.100 261 HA LEU 41 HA LEU 41 0.517 18.117 -5.950 262 HB3 LEU 41 2HB LEU 41 -1.418 18.210 -4.398 263 HG LEU 41 HG LEU 41 -2.372 16.158 -4.765 264 HD11 LEU 41 1HD1 LEU 41 -2.075 15.631 -7.061 265 HD12 LEU 41 2HD1 LEU 41 -0.456 16.370 -7.107 266 HD13 LEU 41 3HD1 LEU 41 -1.916 17.375 -6.878 267 HD21 LEU 41 3HD2 LEU 41 0.299 14.895 -5.161 268 HD22 LEU 41 1HD2 LEU 41 -1.266 14.098 -5.357 269 HD23 LEU 41 2HD2 LEU 41 -0.781 14.702 -3.759 270 H GLY 42 H GLY 42 1.735 18.192 -2.689 271 HA2 GLY 42 1HA GLY 42 3.203 20.028 -2.080 272 HA3 GLY 42 2HA GLY 42 2.126 21.174 -2.883 273 H LYS 43 H LYS 43 1.106 18.480 -0.778 274 HA LYS 43 HA LYS 43 -0.404 20.394 0.778 275 HB3 LYS 43 2HB LYS 43 -1.301 18.372 1.900 276 HG3 LYS 43 2HG LYS 43 -2.106 16.975 0.065 277 HD3 LYS 43 2HD LYS 43 -2.036 19.955 -0.584 278 HE3 LYS 43 2HE LYS 43 -3.777 17.796 -1.808 279 HZ1 LYS 43 3HZ LYS 43 -3.865 20.738 -1.888 280 HZ2 LYS 43 1HZ LYS 43 -5.058 19.676 -1.481 281 HZ3 LYS 43 2HZ LYS 43 -4.582 19.813 -3.048 282 H THR 44 H THR 44 -0.393 20.299 3.229 283 HA THR 44 HA THR 44 2.163 19.404 4.377 284 HB THR 44 HB THR 44 2.297 21.360 5.763 285 HG1 THR 44 1HG THR 44 0.399 22.505 3.975 286 HG21 THR 44 3HG2 THR 44 2.455 22.079 2.798 287 HG22 THR 44 1HG2 THR 44 3.704 21.229 3.737 288 HG23 THR 44 2HG2 THR 44 3.280 22.907 4.124 289 H GLY 45 H GLY 45 1.831 18.377 6.356 290 HA2 GLY 45 1HA GLY 45 1.022 17.985 8.457 291 HA3 GLY 45 2HA GLY 45 0.043 19.465 8.328 292 H ASP 46 H ASP 46 -2.119 19.066 8.411 293 HA ASP 46 HA ASP 46 -2.896 16.325 8.144 294 HB3 ASP 46 2HB ASP 46 -3.995 17.393 9.929 295 H ASP 47 H ASP 47 -3.115 19.144 5.974 296 HA ASP 47 HA ASP 47 -5.040 18.054 4.160 297 HB3 ASP 47 2HB ASP 47 -3.344 19.298 2.500 298 H ALA 48 H ALA 48 -1.651 17.339 4.805 299 HA ALA 48 HA ALA 48 -1.261 15.750 2.370 300 HB1 ALA 48 1HB ALA 48 0.435 15.988 4.909 301 HB2 ALA 48 2HB ALA 48 0.923 15.176 3.433 302 HB3 ALA 48 3HB ALA 48 0.651 16.934 3.423 303 H ARG 49 H ARG 49 -1.893 15.201 5.816 304 HA ARG 49 HA ARG 49 -1.834 12.309 5.659 305 HB3 ARG 49 2HB ARG 49 -3.385 12.420 7.676 306 HG3 ARG 49 2HG ARG 49 -0.855 14.096 7.877 307 HD3 ARG 49 2HD ARG 49 -2.291 14.206 9.885 308 HE ARG 49 HE ARG 49 -3.095 11.669 9.489 309 HH11 ARG 49 1HH1 ARG 49 -1.511 13.369 12.154 310 HH12 ARG 49 2HH1 ARG 49 -2.372 12.502 13.359 311 HH21 ARG 49 1HH2 ARG 49 -3.882 10.221 11.102 312 HH22 ARG 49 2HH2 ARG 49 -3.586 10.550 12.775 313 H ALA 50 H ALA 50 -4.526 14.663 5.332 314 HA ALA 50 HA ALA 50 -6.528 12.726 4.890 315 HB1 ALA 50 1HB ALA 50 -6.408 15.576 3.812 316 HB2 ALA 50 2HB ALA 50 -7.861 14.579 4.063 317 HB3 ALA 50 3HB ALA 50 -6.914 15.129 5.452 318 H TYR 51 H TYR 51 -4.315 14.296 2.507 319 HA TYR 51 HA TYR 51 -5.509 13.147 0.207 320 HB3 TYR 51 2HB TYR 51 -2.634 13.857 0.839 321 HD1 TYR 51 1HD TYR 51 -1.662 11.955 -0.386 322 HD2 TYR 51 2HD TYR 51 -4.379 14.723 -2.268 323 HE1 TYR 51 1HE TYR 51 -1.236 10.902 -2.573 324 HE2 TYR 51 2HE TYR 51 -3.826 13.793 -4.486 325 HH TYR 51 HH TYR 51 -2.975 11.856 -5.502 326 H ALA 52 H ALA 52 -3.104 11.796 2.526 327 HA ALA 52 HA ALA 52 -2.794 9.324 1.051 328 HB1 ALA 52 1HB ALA 52 -2.111 9.928 3.961 329 HB2 ALA 52 2HB ALA 52 -1.502 8.580 2.982 330 HB3 ALA 52 3HB ALA 52 -1.037 10.241 2.582 331 H LEU 53 H LEU 53 -5.272 10.493 3.096 332 HA LEU 53 HA LEU 53 -6.236 7.760 3.813 333 HB3 LEU 53 2HB LEU 53 -7.369 8.977 5.696 334 HG LEU 53 HG LEU 53 -4.390 8.662 5.478 335 HD11 LEU 53 1HD1 LEU 53 -4.882 10.667 7.047 336 HD12 LEU 53 2HD1 LEU 53 -3.851 9.353 7.605 337 HD13 LEU 53 3HD1 LEU 53 -5.513 9.435 8.170 338 HD21 LEU 53 3HD2 LEU 53 -5.997 6.744 5.799 339 HD22 LEU 53 1HD2 LEU 53 -6.469 7.428 7.356 340 HD23 LEU 53 2HD2 LEU 53 -4.789 6.902 7.084 341 H THR 54 H THR 54 -6.913 8.173 1.452 342 HA THR 54 HA THR 54 -9.781 8.348 1.690 343 HB THR 54 HB THR 54 -9.482 10.660 1.288 344 HG1 THR 54 1HG THR 54 -10.958 9.254 -0.126 345 HG21 THR 54 3HG2 THR 54 -8.391 11.636 -0.692 346 HG22 THR 54 1HG2 THR 54 -7.769 10.045 -1.156 347 HG23 THR 54 2HG2 THR 54 -7.234 10.813 0.349 348 H VAL 55 H VAL 55 -7.025 8.040 -0.570 349 HA VAL 55 HA VAL 55 -8.143 6.452 -2.530 350 HB VAL 55 HB VAL 55 -6.024 7.681 -2.553 351 HG11 VAL 55 1HG1 VAL 55 -3.957 6.608 -1.577 352 HG12 VAL 55 2HG1 VAL 55 -5.073 7.287 -0.393 353 HG13 VAL 55 3HG1 VAL 55 -5.010 5.533 -0.659 354 HG21 VAL 55 3HG2 VAL 55 -6.417 5.876 -4.229 355 HG22 VAL 55 1HG2 VAL 55 -4.715 6.247 -3.914 356 HG23 VAL 55 2HG2 VAL 55 -5.441 4.787 -3.234 357 H VAL 56 H VAL 56 -7.784 5.454 0.722 358 HA VAL 56 HA VAL 56 -6.941 2.723 0.155 359 HB VAL 56 HB VAL 56 -7.693 3.821 2.888 360 HG11 VAL 56 1HG1 VAL 56 -7.085 1.475 2.787 361 HG12 VAL 56 2HG1 VAL 56 -5.624 1.838 1.851 362 HG13 VAL 56 3HG1 VAL 56 -5.749 2.358 3.545 363 HG21 VAL 56 3HG2 VAL 56 -6.299 5.622 2.053 364 HG22 VAL 56 1HG2 VAL 56 -5.404 4.669 3.189 365 HG23 VAL 56 2HG2 VAL 56 -5.086 4.448 1.459 366 H THR 57 H THR 57 -8.913 2.609 -1.228 367 HA THR 57 HA THR 57 -10.701 0.736 -0.445 368 HB THR 57 HB THR 57 -11.739 2.363 1.060 369 HG1 THR 57 1HG THR 57 -13.177 1.238 -1.013 370 HG21 THR 57 3HG2 THR 57 -11.394 4.463 -0.170 371 HG22 THR 57 1HG2 THR 57 -13.076 4.204 0.324 372 HG23 THR 57 2HG2 THR 57 -12.604 3.936 -1.366 373 H SER 58 H SER 58 -9.692 3.203 -2.571 374 HA SER 58 HA SER 58 -9.867 3.600 -4.782 375 HB3 SER 58 2HB SER 58 -10.081 1.640 -6.314 376 HG SER 58 HG SER 58 -8.124 2.215 -5.340 377 H ASP 59 H ASP 59 -11.737 2.487 -6.814 378 HA ASP 59 HA ASP 59 -13.957 4.315 -6.187 379 HB3 ASP 59 2HB ASP 59 -14.471 4.280 -8.432 380 H PHE 60 H PHE 60 -13.181 0.957 -6.700 381 HA PHE 60 HA PHE 60 -15.890 -0.040 -6.018 382 HB3 PHE 60 2HB PHE 60 -14.185 -1.006 -8.346 383 HD1 PHE 60 1HD PHE 60 -17.771 0.081 -8.034 384 HD2 PHE 60 2HD PHE 60 -15.070 -3.240 -8.629 385 HE1 PHE 60 1HE PHE 60 -19.682 -1.391 -8.576 386 HE2 PHE 60 2HE PHE 60 -16.991 -4.706 -9.133 387 HZ PHE 60 HZ PHE 60 -19.308 -3.786 -9.124 388 H ASP 61 H ASP 61 -13.097 0.028 -4.701 389 HA ASP 61 HA ASP 61 -11.602 -1.120 -3.569 390 HB3 ASP 61 2HB ASP 61 -12.520 -3.732 -3.174 391 H GLU 62 H GLU 62 -12.584 -2.698 -6.518 392 HA GLU 62 HA GLU 62 -9.897 -3.980 -6.719 393 HB3 GLU 62 2HB GLU 62 -12.502 -4.732 -8.060 394 HG3 GLU 62 2HG GLU 62 -10.080 -6.492 -7.557 395 HA PRO 63 HA PRO 63 -10.022 -0.779 -10.073 396 HB3 PRO 63 2HB PRO 63 -8.861 0.751 -8.773 397 HG3 PRO 63 2HG PRO 63 -7.263 0.035 -7.145 398 HD3 PRO 63 2HD PRO 63 -9.262 -1.099 -6.603 399 H GLY 64 H GLY 64 -7.666 -3.236 -9.367 400 HA2 GLY 64 1HA GLY 64 -6.948 -4.890 -11.023 401 HA3 GLY 64 2HA GLY 64 -7.055 -3.642 -12.274 402 H ASP 65 H ASP 65 -4.813 -4.926 -12.305 403 HA ASP 65 HA ASP 65 -2.831 -4.284 -10.306 404 HB3 ASP 65 2HB ASP 65 -1.312 -5.511 -11.925 405 H GLU 66 H GLU 66 -3.470 -3.212 -13.652 406 HA GLU 66 HA GLU 66 -1.089 -1.445 -13.547 407 HB3 GLU 66 2HB GLU 66 -1.725 -1.063 -16.002 408 HG3 GLU 66 2HG GLU 66 -1.070 -3.436 -16.732 409 H ASP 67 H ASP 67 -4.459 -1.224 -12.888 410 HA ASP 67 HA ASP 67 -4.846 1.195 -14.462 411 HB3 ASP 67 2HB ASP 67 -7.036 0.472 -12.600 412 H VAL 68 H VAL 68 -4.421 0.430 -11.089 413 HA VAL 68 HA VAL 68 -5.144 2.799 -9.802 414 HB VAL 68 HB VAL 68 -4.377 0.506 -8.961 415 HG11 VAL 68 1HG1 VAL 68 -2.024 0.206 -8.419 416 HG12 VAL 68 2HG1 VAL 68 -2.243 0.449 -10.168 417 HG13 VAL 68 3HG1 VAL 68 -1.643 1.782 -9.165 418 HG21 VAL 68 3HG2 VAL 68 -4.890 2.339 -7.382 419 HG22 VAL 68 1HG2 VAL 68 -3.554 1.342 -6.792 420 HG23 VAL 68 2HG2 VAL 68 -3.216 2.928 -7.506 421 H PHE 69 H PHE 69 -2.451 2.243 -11.961 422 HA PHE 69 HA PHE 69 -0.712 4.432 -11.313 423 HB3 PHE 69 2HB PHE 69 -1.383 2.934 -13.851 424 HD1 PHE 69 1HD PHE 69 1.871 4.604 -12.955 425 HD2 PHE 69 2HD PHE 69 -1.666 4.625 -15.518 426 HE1 PHE 69 1HE PHE 69 2.835 6.296 -14.349 427 HE2 PHE 69 2HE PHE 69 -0.574 6.283 -16.955 428 HZ PHE 69 HZ PHE 69 1.683 7.162 -16.389 429 H ARG 70 H ARG 70 -3.566 4.170 -13.491 430 HA ARG 70 HA ARG 70 -3.305 6.738 -14.646 431 HB3 ARG 70 2HB ARG 70 -5.725 4.928 -14.227 432 HG3 ARG 70 2HG ARG 70 -5.311 7.185 -16.213 433 HD3 ARG 70 2HD ARG 70 -7.792 6.716 -16.666 434 HE ARG 70 HE ARG 70 -6.397 4.321 -17.563 435 HH11 ARG 70 1HH1 ARG 70 -6.449 7.878 -18.104 436 HH12 ARG 70 2HH1 ARG 70 -6.061 7.697 -19.781 437 HH21 ARG 70 1HH2 ARG 70 -6.255 4.203 -19.852 438 HH22 ARG 70 2HH2 ARG 70 -6.161 5.649 -20.831 439 H LYS 71 H LYS 71 -4.501 5.774 -11.470 440 HA LYS 71 HA LYS 71 -6.011 8.308 -11.196 441 HB3 LYS 71 2HB LYS 71 -5.344 6.311 -9.003 442 HG3 LYS 71 2HG LYS 71 -7.390 8.536 -9.416 443 HD3 LYS 71 2HD LYS 71 -8.433 7.560 -7.269 444 HE3 LYS 71 2HE LYS 71 -9.696 5.741 -8.746 445 HZ1 LYS 71 3HZ LYS 71 -9.877 8.652 -9.225 446 HZ2 LYS 71 1HZ LYS 71 -10.708 7.723 -8.138 447 HZ3 LYS 71 2HZ LYS 71 -10.957 7.504 -9.741 448 H LEU 72 H LEU 72 -2.881 6.986 -10.316 449 HA LEU 72 HA LEU 72 -2.057 9.276 -8.671 450 HB3 LEU 72 2HB LEU 72 0.286 8.178 -9.331 451 HG LEU 72 HG LEU 72 0.017 6.397 -7.609 452 HD11 LEU 72 1HD1 LEU 72 -0.770 9.190 -6.803 453 HD12 LEU 72 2HD1 LEU 72 0.873 8.576 -7.096 454 HD13 LEU 72 3HD1 LEU 72 -0.070 7.938 -5.743 455 HD21 LEU 72 3HD2 LEU 72 -2.747 7.543 -7.107 456 HD22 LEU 72 1HD2 LEU 72 -1.920 6.252 -6.215 457 HD23 LEU 72 2HD2 LEU 72 -2.420 5.966 -7.881 458 H ALA 73 H ALA 73 -1.360 8.214 -12.064 459 HA ALA 73 HA ALA 73 0.318 10.402 -12.686 460 HB1 ALA 73 1HB ALA 73 0.049 9.705 -14.976 461 HB2 ALA 73 2HB ALA 73 0.116 8.265 -13.968 462 HB3 ALA 73 3HB ALA 73 -1.453 8.832 -14.607 463 H ALA 74 H ALA 74 -3.200 10.245 -12.634 464 HA ALA 74 HA ALA 74 -3.540 12.861 -13.945 465 HB1 ALA 74 1HB ALA 74 -5.339 10.825 -12.642 466 HB2 ALA 74 2HB ALA 74 -5.921 12.403 -13.173 467 HB3 ALA 74 3HB ALA 74 -5.206 11.294 -14.357 468 H ASP 75 H ASP 75 -2.629 11.911 -10.798 469 HA ASP 75 HA ASP 75 -3.651 14.420 -9.556 470 HB3 ASP 75 2HB ASP 75 -1.978 13.159 -7.705 471 H LEU 76 H LEU 76 -0.551 12.566 -9.975 472 HA LEU 76 HA LEU 76 0.951 15.008 -9.571 473 HB3 LEU 76 2HB LEU 76 2.892 13.630 -9.763 474 HG LEU 76 HG LEU 76 2.880 12.370 -7.949 475 HD11 LEU 76 1HD1 LEU 76 0.308 13.922 -7.405 476 HD12 LEU 76 2HD1 LEU 76 1.933 14.629 -7.394 477 HD13 LEU 76 3HD1 LEU 76 1.503 13.353 -6.240 478 HD21 LEU 76 3HD2 LEU 76 1.350 10.652 -8.852 479 HD22 LEU 76 1HD2 LEU 76 -0.010 11.578 -8.167 480 HD23 LEU 76 2HD2 LEU 76 1.250 10.918 -7.104 481 H GLU 77 H GLU 77 -0.736 14.951 -11.938 482 HA GLU 77 HA GLU 77 0.622 14.731 -14.420 483 HB3 GLU 77 2HB GLU 77 -1.441 16.742 -13.449 484 HG3 GLU 77 2HG GLU 77 -1.324 15.608 -16.244 485 H GLY 78 H GLY 78 2.619 15.658 -14.751 486 HA2 GLY 78 1HA GLY 78 4.190 17.316 -15.004 487 HA3 GLY 78 2HA GLY 78 3.015 18.478 -14.391 488 H LYS 79 H LYS 79 3.541 15.859 -12.172 489 HA LYS 79 HA LYS 79 5.725 17.373 -10.808 490 HB3 LYS 79 2HB LYS 79 4.892 16.752 -8.641 491 HG3 LYS 79 2HG LYS 79 4.078 18.920 -9.853 492 HD3 LYS 79 2HD LYS 79 1.819 17.090 -10.282 493 HE3 LYS 79 2HE LYS 79 1.326 18.457 -8.058 494 HZ1 LYS 79 3HZ LYS 79 1.734 20.637 -9.149 495 HZ2 LYS 79 1HZ LYS 79 0.213 20.538 -8.576 496 HZ3 LYS 79 2HZ LYS 79 0.502 20.358 -10.188 497 H ALA 80 H ALA 80 4.190 14.156 -11.453 498 HA ALA 80 HA ALA 80 6.805 12.901 -10.943 499 HB1 ALA 80 1HB ALA 80 5.986 11.430 -9.319 500 HB2 ALA 80 2HB ALA 80 5.149 12.900 -8.865 501 HB3 ALA 80 3HB ALA 80 4.306 11.644 -9.793 502 H ASP 81 H ASP 81 7.168 11.819 -12.828 503 HA ASP 81 HA ASP 81 4.942 11.257 -14.676 504 HB3 ASP 81 2HB ASP 81 6.764 10.484 -16.179 505 H GLU 82 H GLU 82 4.997 9.061 -15.723 506 HA GLU 82 HA GLU 82 4.646 6.901 -14.125 507 HB3 GLU 82 2HB GLU 82 5.835 6.977 -16.932 508 HG3 GLU 82 2HG GLU 82 4.386 4.936 -17.321 509 H GLU 83 H GLU 83 7.698 7.969 -15.390 510 HA GLU 83 HA GLU 83 9.366 5.901 -14.772 511 HB3 GLU 83 2HB GLU 83 9.952 8.891 -14.591 512 HG3 GLU 83 2HG GLU 83 11.650 6.466 -15.309 513 H THR 84 H THR 84 7.920 8.083 -12.449 514 HA THR 84 HA THR 84 9.597 6.907 -10.271 515 HB THR 84 HB THR 84 9.920 9.305 -10.757 516 HG1 THR 84 1HG THR 84 10.064 9.832 -8.633 517 HG21 THR 84 3HG2 THR 84 7.823 10.195 -11.292 518 HG22 THR 84 1HG2 THR 84 8.318 10.943 -9.770 519 HG23 THR 84 2HG2 THR 84 7.114 9.657 -9.748 520 H ILE 85 H ILE 85 6.382 7.890 -11.290 521 HA ILE 85 HA ILE 85 4.847 7.059 -9.029 522 HB ILE 85 HB ILE 85 4.191 6.952 -11.988 523 HG13 ILE 85 2HG1 ILE 85 4.540 9.248 -10.897 524 HG21 ILE 85 1HG2 ILE 85 2.119 6.743 -9.783 525 HG22 ILE 85 2HG2 ILE 85 1.845 6.632 -11.538 526 HG23 ILE 85 3HG2 ILE 85 2.687 5.351 -10.711 527 HD11 ILE 85 3HD1 ILE 85 1.624 8.777 -11.641 528 HD12 ILE 85 1HD1 ILE 85 2.438 10.320 -11.550 529 HD13 ILE 85 2HD1 ILE 85 2.934 9.144 -12.790 530 H ARG 86 H ARG 86 5.557 5.101 -11.959 531 HA ARG 86 HA ARG 86 4.436 2.709 -10.765 532 HB3 ARG 86 2HB ARG 86 6.064 1.764 -12.713 533 HG3 ARG 86 2HG ARG 86 4.022 3.122 -14.212 534 HD3 ARG 86 2HD ARG 86 2.935 0.850 -14.133 535 HE ARG 86 HE ARG 86 5.456 1.503 -15.217 536 HH11 ARG 86 1HH1 ARG 86 3.343 -1.352 -14.714 537 HH12 ARG 86 2HH1 ARG 86 4.346 -2.411 -15.620 538 HH21 ARG 86 1HH2 ARG 86 6.745 0.038 -16.438 539 HH22 ARG 86 2HH2 ARG 86 6.265 -1.611 -16.690 540 H ALA 87 H ALA 87 7.526 4.263 -10.769 541 HA ALA 87 HA ALA 87 9.067 2.011 -9.808 542 HB1 ALA 87 1HB ALA 87 9.699 4.942 -9.253 543 HB2 ALA 87 2HB ALA 87 10.800 3.582 -9.156 544 HB3 ALA 87 3HB ALA 87 10.150 4.067 -10.735 545 H LYS 88 H LYS 88 7.509 4.680 -8.051 546 HA LYS 88 HA LYS 88 7.992 3.715 -5.410 547 HB3 LYS 88 2HB LYS 88 5.957 5.128 -4.839 548 HG3 LYS 88 2HG LYS 88 7.226 7.206 -6.207 549 HD3 LYS 88 2HD LYS 88 6.662 6.984 -3.754 550 HE3 LYS 88 2HE LYS 88 7.994 4.816 -3.422 551 HZ1 LYS 88 3HZ LYS 88 10.238 5.163 -2.720 552 HZ2 LYS 88 1HZ LYS 88 10.216 6.749 -3.069 553 HZ3 LYS 88 2HZ LYS 88 10.165 5.674 -4.287 554 H MET 89 H MET 89 5.194 3.246 -7.630 555 HA MET 89 HA MET 89 3.603 1.783 -5.830 556 HB3 MET 89 2HB MET 89 3.846 1.585 -8.850 557 HG3 MET 89 2HG MET 89 1.347 0.915 -8.582 558 HE1 MET 89 3HE MET 89 4.065 -0.137 -10.216 559 HE2 MET 89 1HE MET 89 3.485 -1.727 -10.680 560 HE3 MET 89 2HE MET 89 2.389 -0.330 -10.807 561 H VAL 90 H VAL 90 6.227 0.555 -7.974 562 HA VAL 90 HA VAL 90 5.984 -2.159 -7.075 563 HB VAL 90 HB VAL 90 8.251 -0.643 -8.410 564 HG11 VAL 90 1HG1 VAL 90 9.041 -2.779 -7.343 565 HG12 VAL 90 2HG1 VAL 90 7.746 -3.661 -8.117 566 HG13 VAL 90 3HG1 VAL 90 9.043 -2.908 -9.104 567 HG21 VAL 90 3HG2 VAL 90 6.131 -0.794 -9.768 568 HG22 VAL 90 1HG2 VAL 90 7.483 -1.667 -10.474 569 HG23 VAL 90 2HG2 VAL 90 6.183 -2.543 -9.612 570 H GLU 91 H GLU 91 8.181 0.576 -6.039 571 HA GLU 91 HA GLU 91 9.583 -0.864 -4.014 572 HB3 GLU 91 2HB GLU 91 9.735 1.531 -2.965 573 HG3 GLU 91 2HG GLU 91 11.266 2.354 -4.680 574 H LEU 92 H LEU 92 6.278 0.037 -4.072 575 HA LEU 92 HA LEU 92 5.979 -0.330 -1.137 576 HB3 LEU 92 2HB LEU 92 4.037 1.202 -1.407 577 HG LEU 92 HG LEU 92 6.652 2.367 -2.521 578 HD11 LEU 92 1HD1 LEU 92 4.836 3.770 -3.212 579 HD12 LEU 92 2HD1 LEU 92 5.725 4.575 -1.909 580 HD13 LEU 92 3HD1 LEU 92 4.165 3.806 -1.573 581 HD21 LEU 92 3HD2 LEU 92 5.598 2.557 0.305 582 HD22 LEU 92 1HD2 LEU 92 7.070 3.236 -0.371 583 HD23 LEU 92 2HD2 LEU 92 6.906 1.491 -0.261 584 H ARG 93 H ARG 93 5.872 -2.243 -3.650 585 HA ARG 93 HA ARG 93 3.159 -3.367 -3.166 586 HB3 ARG 93 2HB ARG 93 4.687 -4.822 -5.136 587 HG3 ARG 93 2HG ARG 93 2.552 -4.770 -5.884 588 HD3 ARG 93 2HD ARG 93 2.351 -1.887 -4.946 589 HE ARG 93 HE ARG 93 1.247 -1.933 -7.018 590 HH11 ARG 93 1HH1 ARG 93 -0.277 -4.457 -4.899 591 HH12 ARG 93 2HH1 ARG 93 -1.548 -4.704 -6.049 592 HH21 ARG 93 1HH2 ARG 93 -0.472 -2.400 -8.439 593 HH22 ARG 93 2HH2 ARG 93 -1.378 -3.795 -8.074 594 H ALA 94 H ALA 94 6.315 -4.945 -3.789 595 HA ALA 94 HA ALA 94 6.048 -7.146 -2.158 596 HB1 ALA 94 1HB ALA 94 8.595 -6.956 -2.126 597 HB2 ALA 94 2HB ALA 94 7.859 -6.900 -3.730 598 HB3 ALA 94 3HB ALA 94 8.444 -5.415 -2.930 599 H THR 95 H THR 95 7.069 -3.929 -1.238 600 HA THR 95 HA THR 95 7.797 -4.534 1.470 601 HB THR 95 HB THR 95 6.923 -1.835 0.391 602 HG1 THR 95 1HG THR 95 8.860 -1.731 -0.662 603 HG21 THR 95 3HG2 THR 95 7.479 -1.910 2.794 604 HG22 THR 95 1HG2 THR 95 8.657 -0.969 1.888 605 HG23 THR 95 2HG2 THR 95 9.074 -2.615 2.413 606 H ALA 96 H ALA 96 4.766 -3.219 -0.060 607 HA ALA 96 HA ALA 96 3.371 -2.802 2.419 608 HB1 ALA 96 1HB ALA 96 2.411 -3.272 -0.433 609 HB2 ALA 96 2HB ALA 96 1.362 -2.850 0.906 610 HB3 ALA 96 3HB ALA 96 2.598 -1.703 0.402 611 H ARG 97 H ARG 97 4.099 -5.670 0.525 612 HA ARG 97 HA ARG 97 2.101 -7.372 1.786 613 HB3 ARG 97 2HB ARG 97 3.716 -9.193 1.075 614 HG3 ARG 97 2HG ARG 97 3.236 -7.472 -1.346 615 HD3 ARG 97 2HD ARG 97 2.590 -10.428 -1.048 616 HE ARG 97 HE ARG 97 4.194 -9.407 -3.260 617 HH11 ARG 97 1HH1 ARG 97 0.840 -9.879 -2.229 618 HH12 ARG 97 2HH1 ARG 97 0.178 -9.822 -3.823 619 HH21 ARG 97 1HH2 ARG 97 3.299 -9.146 -5.341 620 HH22 ARG 97 2HH2 ARG 97 1.615 -9.299 -5.657 621 H GLU 98 H GLU 98 5.724 -7.232 2.319 622 HA GLU 98 HA GLU 98 5.501 -8.765 4.642 623 HB3 GLU 98 2HB GLU 98 7.634 -6.882 3.575 624 HG3 GLU 98 2HG GLU 98 8.137 -7.408 5.880 625 H GLN 99 H GLN 99 5.320 -5.258 4.204 626 HA GLN 99 HA GLN 99 5.660 -4.418 6.823 627 HB3 GLN 99 2HB GLN 99 3.728 -2.673 5.975 628 HG3 GLN 99 2HG GLN 99 6.547 -2.577 4.857 629 HE21 GLN 99 1HE2 GLN 99 7.328 -0.282 4.744 630 HE22 GLN 99 2HE2 GLN 99 6.181 1.024 4.744 631 H ILE 100 H ILE 100 2.988 -6.358 5.687 632 HA ILE 100 HA ILE 100 0.993 -5.342 7.464 633 HB ILE 100 HB ILE 100 1.406 -8.024 6.106 634 HG13 ILE 100 2HG1 ILE 100 -0.443 -7.235 4.602 635 HG21 ILE 100 1HG2 ILE 100 -1.033 -7.114 7.662 636 HG22 ILE 100 2HG2 ILE 100 -1.048 -8.444 6.474 637 HG23 ILE 100 3HG2 ILE 100 -0.046 -8.557 7.927 638 HD11 ILE 100 3HD1 ILE 100 -1.076 -4.947 4.452 639 HD12 ILE 100 1HD1 ILE 100 -1.338 -5.378 6.147 640 HD13 ILE 100 2HD1 ILE 100 0.101 -4.434 5.657 641 H ILE 101 H ILE 101 3.139 -8.319 8.005 642 HA ILE 101 HA ILE 101 2.335 -8.475 10.738 643 HB ILE 101 HB ILE 101 4.901 -9.395 9.385 644 HG13 ILE 101 2HG1 ILE 101 3.727 -11.618 9.453 645 HG21 ILE 101 1HG2 ILE 101 5.281 -9.368 11.731 646 HG22 ILE 101 2HG2 ILE 101 3.723 -10.138 12.084 647 HG23 ILE 101 3HG2 ILE 101 5.039 -11.037 11.259 648 HD11 ILE 101 3HD1 ILE 101 1.755 -11.007 10.888 649 HD12 ILE 101 1HD1 ILE 101 1.138 -10.119 9.468 650 HD13 ILE 101 2HD1 ILE 101 1.421 -11.862 9.371 651 H SER 102 H SER 102 4.808 -6.588 9.073 652 HA SER 102 HA SER 102 6.067 -5.620 11.502 653 HB3 SER 102 2HB SER 102 6.170 -4.383 8.772 654 HG SER 102 HG SER 102 8.338 -4.026 9.394 655 H GLU 103 H GLU 103 2.938 -5.168 10.741 656 HA GLU 103 HA GLU 103 2.875 -2.405 11.881 657 HB3 GLU 103 2HB GLU 103 1.091 -3.721 9.801 658 HG3 GLU 103 2HG GLU 103 -0.221 -2.309 11.299 659 H ILE 104 H ILE 104 1.711 -5.728 12.128 660 HA ILE 104 HA ILE 104 -0.584 -5.134 13.821 661 HB ILE 104 HB ILE 104 0.951 -7.754 13.920 662 HG13 ILE 104 2HG1 ILE 104 0.571 -7.235 11.514 663 HG21 ILE 104 1HG2 ILE 104 -2.030 -7.063 14.146 664 HG22 ILE 104 2HG2 ILE 104 -1.245 -8.630 14.524 665 HG23 ILE 104 3HG2 ILE 104 -0.943 -7.232 15.511 666 HD11 ILE 104 3HD1 ILE 104 -0.434 -9.247 10.788 667 HD12 ILE 104 1HD1 ILE 104 0.593 -9.587 12.185 668 HD13 ILE 104 2HD1 ILE 104 -1.195 -9.505 12.358 Start of MODEL 20 1 H1 MET 1 H MET 1 -6.432 -8.890 17.068 2 HA MET 1 HA MET 1 -6.757 -9.780 19.863 3 HB3 MET 1 2HB MET 1 -8.040 -11.667 19.057 4 HG3 MET 1 2HG MET 1 -9.250 -9.169 17.840 5 HE1 MET 1 3HE MET 1 -12.966 -10.090 18.193 6 HE2 MET 1 1HE MET 1 -11.930 -9.111 19.257 7 HE3 MET 1 2HE MET 1 -11.778 -8.975 17.489 8 H THR 2 H THR 2 -5.095 -11.002 20.589 9 HA THR 2 HA THR 2 -3.032 -11.947 18.834 10 HB THR 2 HB THR 2 -2.687 -11.237 21.163 11 HG1 THR 2 1HG THR 2 -1.118 -12.508 20.356 12 HG21 THR 2 3HG2 THR 2 -3.188 -12.722 23.053 13 HG22 THR 2 1HG2 THR 2 -4.080 -13.814 21.982 14 HG23 THR 2 2HG2 THR 2 -4.678 -12.170 22.277 15 H THR 3 H THR 3 -2.374 -14.231 18.695 16 HA THR 3 HA THR 3 -4.092 -16.401 19.287 17 HB THR 3 HB THR 3 -5.274 -15.642 17.260 18 HG1 THR 3 1HG THR 3 -4.945 -17.570 16.012 19 HG21 THR 3 3HG2 THR 3 -2.646 -16.025 15.761 20 HG22 THR 3 1HG2 THR 3 -3.459 -14.474 16.057 21 HG23 THR 3 2HG2 THR 3 -4.236 -15.692 15.037 22 H PHE 4 H PHE 4 -2.965 -18.407 18.563 23 HA PHE 4 HA PHE 4 -1.172 -19.764 18.773 24 HB3 PHE 4 2HB PHE 4 0.305 -19.576 16.736 25 HD1 PHE 4 1HD PHE 4 -1.401 -21.592 17.343 26 HD2 PHE 4 2HD PHE 4 -2.195 -18.235 14.749 27 HE1 PHE 4 1HE PHE 4 -3.146 -22.908 16.172 28 HE2 PHE 4 2HE PHE 4 -3.901 -19.582 13.561 29 HZ PHE 4 HZ PHE 4 -4.390 -21.904 14.266 30 H ASP 5 H ASP 5 1.540 -19.451 18.073 31 HA ASP 5 HA ASP 5 2.831 -18.109 20.338 32 HB3 ASP 5 2HB ASP 5 4.860 -18.521 18.818 33 H ASP 6 H ASP 6 4.537 -16.366 19.665 34 HA ASP 6 HA ASP 6 3.231 -14.346 17.998 35 HB3 ASP 6 2HB ASP 6 6.029 -14.186 19.161 36 H ARG 7 H ARG 7 5.738 -16.859 17.549 37 HA ARG 7 HA ARG 7 6.016 -16.171 14.756 38 HB3 ARG 7 2HB ARG 7 8.567 -16.387 15.001 39 HG3 ARG 7 2HG ARG 7 7.290 -13.943 16.297 40 HD3 ARG 7 2HD ARG 7 9.691 -13.968 16.630 41 HE ARG 7 HE ARG 7 9.805 -14.157 13.632 42 HH11 ARG 7 1HH1 ARG 7 11.668 -13.618 16.544 43 HH12 ARG 7 2HH1 ARG 7 13.103 -14.400 15.978 44 HH21 ARG 7 1HH2 ARG 7 11.657 -15.246 12.823 45 HH22 ARG 7 2HH2 ARG 7 13.131 -15.217 13.731 46 H GLU 8 H GLU 8 7.535 -18.134 13.888 47 HA GLU 8 HA GLU 8 7.683 -20.255 13.417 48 HB3 GLU 8 2HB GLU 8 6.983 -21.054 16.244 49 HG3 GLU 8 2HG GLU 8 7.418 -22.925 14.762 50 H ARG 9 H ARG 9 6.160 -20.696 11.966 51 HA ARG 9 HA ARG 9 4.077 -21.074 11.010 52 HB3 ARG 9 2HB ARG 9 3.028 -23.179 11.889 53 HG3 ARG 9 2HG ARG 9 5.820 -22.869 10.884 54 HD3 ARG 9 2HD ARG 9 4.897 -25.387 12.308 55 HE ARG 9 HE ARG 9 6.615 -25.280 10.127 56 HH11 ARG 9 1HH1 ARG 9 6.799 -26.266 13.535 57 HH12 ARG 9 2HH1 ARG 9 8.268 -27.159 13.371 58 HH21 ARG 9 1HH2 ARG 9 8.430 -26.591 9.824 59 HH22 ARG 9 2HH2 ARG 9 9.090 -27.556 11.095 60 H ALA 10 H ALA 10 3.978 -19.048 12.966 61 HA ALA 10 HA ALA 10 1.067 -19.153 13.597 62 HB1 ALA 10 1HB ALA 10 2.406 -19.357 15.664 63 HB2 ALA 10 2HB ALA 10 3.330 -17.899 15.246 64 HB3 ALA 10 3HB ALA 10 1.601 -17.771 15.586 65 H HIS 11 H HIS 11 3.928 -17.159 12.970 66 HA HIS 11 HA HIS 11 2.327 -15.221 11.427 67 HB3 HIS 11 2HB HIS 11 4.012 -13.509 12.239 68 HD1 HIS 11 1HD HIS 11 1.824 -12.181 12.675 69 HD2 HIS 11 2HD HIS 11 2.449 -15.387 15.318 70 HE1 HIS 11 1HE HIS 11 -0.056 -12.075 14.359 71 H GLU 12 H GLU 12 5.634 -15.925 12.048 72 HA GLU 12 HA GLU 12 6.980 -15.265 9.891 73 HB3 GLU 12 2HB GLU 12 8.502 -17.289 10.190 74 HG3 GLU 12 2HG GLU 12 8.601 -17.106 12.828 75 H ALA 13 H ALA 13 6.044 -18.729 9.936 76 HA ALA 13 HA ALA 13 6.304 -18.942 7.103 77 HB1 ALA 13 1HB ALA 13 6.571 -20.874 8.623 78 HB2 ALA 13 2HB ALA 13 4.822 -20.838 8.972 79 HB3 ALA 13 3HB ALA 13 5.405 -21.194 7.338 80 H LYS 14 H LYS 14 3.545 -18.073 9.118 81 HA LYS 14 HA LYS 14 1.473 -18.960 7.339 82 HB3 LYS 14 2HB LYS 14 1.286 -16.745 9.447 83 HG3 LYS 14 2HG LYS 14 -0.740 -18.553 8.075 84 HD3 LYS 14 2HD LYS 14 -1.320 -18.153 10.472 85 HE3 LYS 14 2HE LYS 14 -1.412 -15.262 9.535 86 HZ1 LYS 14 3HZ LYS 14 -2.274 -15.236 12.025 87 HZ2 LYS 14 1HZ LYS 14 -2.968 -16.642 11.582 88 HZ3 LYS 14 2HZ LYS 14 -3.334 -15.308 10.727 89 H PHE 15 H PHE 15 2.697 -15.619 7.971 90 HA PHE 15 HA PHE 15 1.203 -14.578 5.714 91 HB3 PHE 15 2HB PHE 15 2.680 -12.539 6.113 92 HD1 PHE 15 1HD PHE 15 0.272 -11.773 6.353 93 HD2 PHE 15 2HD PHE 15 2.329 -13.860 9.514 94 HE1 PHE 15 1HE PHE 15 -1.476 -11.100 7.983 95 HE2 PHE 15 2HE PHE 15 0.501 -13.295 11.084 96 HZ PHE 15 HZ PHE 15 -1.382 -11.854 10.326 97 H ALA 16 H ALA 16 4.571 -15.838 6.137 98 HA ALA 16 HA ALA 16 5.540 -15.150 3.596 99 HB1 ALA 16 1HB ALA 16 6.936 -16.128 5.374 100 HB2 ALA 16 2HB ALA 16 6.049 -17.667 5.234 101 HB3 ALA 16 3HB ALA 16 7.044 -17.098 3.889 102 H HIS 17 H HIS 17 3.133 -17.639 4.435 103 HA HIS 17 HA HIS 17 3.420 -19.029 1.906 104 HB3 HIS 17 2HB HIS 17 1.145 -20.053 2.994 105 HD1 HIS 17 1HD HIS 17 2.905 -21.661 1.413 106 HD2 HIS 17 2HD HIS 17 3.664 -21.091 5.525 107 HE1 HIS 17 1HE HIS 17 4.392 -23.612 2.165 108 H ASP 18 H ASP 18 2.173 -16.037 2.380 109 HA ASP 18 HA ASP 18 0.900 -14.698 1.098 110 HB3 ASP 18 2HB ASP 18 -0.379 -15.455 -0.905 111 H ALA 19 H ALA 19 -1.814 -15.528 0.123 112 HA ALA 19 HA ALA 19 -3.839 -15.142 0.793 113 HB1 ALA 19 1HB ALA 19 -3.794 -17.430 1.540 114 HB2 ALA 19 2HB ALA 19 -3.109 -16.967 3.108 115 HB3 ALA 19 3HB ALA 19 -4.751 -16.459 2.675 116 H GLU 20 H GLU 20 -2.378 -15.144 4.005 117 HA GLU 20 HA GLU 20 -4.010 -12.859 4.836 118 HB3 GLU 20 2HB GLU 20 -2.433 -12.776 6.791 119 HG3 GLU 20 2HG GLU 20 -4.594 -14.104 6.768 120 H LEU 21 H LEU 21 -0.654 -13.318 3.753 121 HA LEU 21 HA LEU 21 0.161 -10.674 4.470 122 HB3 LEU 21 2HB LEU 21 1.318 -12.593 2.387 123 HG LEU 21 HG LEU 21 2.317 -10.377 2.004 124 HD11 LEU 21 1HD1 LEU 21 1.867 -9.246 4.087 125 HD12 LEU 21 2HD1 LEU 21 3.616 -9.291 3.886 126 HD13 LEU 21 3HD1 LEU 21 2.851 -10.412 5.014 127 HD21 LEU 21 3HD2 LEU 21 4.185 -12.159 3.637 128 HD22 LEU 21 1HD2 LEU 21 4.663 -10.970 2.416 129 HD23 LEU 21 2HD2 LEU 21 3.761 -12.415 1.941 130 H ASN 22 H ASN 22 -1.059 -12.010 1.471 131 HA ASN 22 HA ASN 22 -0.809 -9.558 -0.042 132 HB3 ASN 22 2HB ASN 22 -2.572 -10.622 -1.553 133 HD21 ASN 22 1HD2 ASN 22 -1.210 -13.609 -1.326 134 HD22 ASN 22 2HD2 ASN 22 0.430 -13.297 -1.860 135 H PHE 23 H PHE 23 -3.291 -10.815 2.137 136 HA PHE 23 HA PHE 23 -5.301 -8.874 1.407 137 HB3 PHE 23 2HB PHE 23 -4.982 -10.505 3.942 138 HD1 PHE 23 1HD PHE 23 -6.198 -8.828 5.298 139 HD2 PHE 23 2HD PHE 23 -7.912 -10.372 1.663 140 HE1 PHE 23 1HE PHE 23 -8.427 -7.854 5.911 141 HE2 PHE 23 2HE PHE 23 -10.118 -9.457 2.309 142 HZ PHE 23 HZ PHE 23 -10.366 -8.176 4.416 143 H LYS 24 H LYS 24 -2.880 -9.048 4.145 144 HA LYS 24 HA LYS 24 -3.771 -6.495 5.226 145 HB3 LYS 24 2HB LYS 24 -1.686 -6.656 6.543 146 HG3 LYS 24 2HG LYS 24 -2.203 -9.483 6.814 147 HD3 LYS 24 2HD LYS 24 -3.337 -8.852 8.916 148 HE3 LYS 24 2HE LYS 24 -0.810 -7.210 8.504 149 HZ1 LYS 24 3HZ LYS 24 -0.527 -7.518 10.852 150 HZ2 LYS 24 1HZ LYS 24 -1.808 -8.545 10.961 151 HZ3 LYS 24 2HZ LYS 24 -2.039 -6.957 10.633 152 H ALA 25 H ALA 25 -1.037 -7.540 3.119 153 HA ALA 25 HA ALA 25 0.234 -5.048 3.026 154 HB1 ALA 25 1HB ALA 25 1.326 -7.137 2.350 155 HB2 ALA 25 2HB ALA 25 0.258 -7.249 0.925 156 HB3 ALA 25 3HB ALA 25 1.419 -5.921 1.062 157 H GLU 26 H GLU 26 -2.582 -6.196 1.052 158 HA GLU 26 HA GLU 26 -2.365 -4.238 -0.934 159 HB3 GLU 26 2HB GLU 26 -3.878 -6.246 -0.813 160 HG3 GLU 26 2HG GLU 26 -5.117 -5.333 1.333 161 H ALA 27 H ALA 27 -3.950 -4.021 2.194 162 HA ALA 27 HA ALA 27 -4.838 -1.288 1.826 163 HB1 ALA 27 1HB ALA 27 -4.679 -3.194 4.200 164 HB2 ALA 27 2HB ALA 27 -5.477 -1.589 4.246 165 HB3 ALA 27 3HB ALA 27 -6.084 -2.876 3.166 166 H ARG 28 H ARG 28 -2.218 -2.953 3.696 167 HA ARG 28 HA ARG 28 -1.116 -0.556 4.701 168 HB3 ARG 28 2HB ARG 28 1.083 -2.253 4.514 169 HG3 ARG 28 2HG ARG 28 0.717 -2.823 6.835 170 HD3 ARG 28 2HD ARG 28 -0.219 0.047 6.427 171 HE ARG 28 HE ARG 28 1.463 -0.425 8.640 172 HH11 ARG 28 1HH1 ARG 28 -2.034 -0.666 7.819 173 HH12 ARG 28 2HH1 ARG 28 -2.510 -0.136 9.410 174 HH21 ARG 28 1HH2 ARG 28 0.730 -0.043 10.764 175 HH22 ARG 28 2HH2 ARG 28 -0.945 0.210 11.079 176 H ARG 29 H ARG 29 -0.516 -2.000 1.475 177 HA ARG 29 HA ARG 29 1.738 -0.248 1.039 178 HB3 ARG 29 2HB ARG 29 1.378 -2.529 -0.038 179 HG3 ARG 29 2HG ARG 29 -0.160 -1.164 -2.205 180 HD3 ARG 29 2HD ARG 29 -0.078 -4.078 -1.356 181 HE ARG 29 HE ARG 29 -1.693 -2.649 -3.294 182 HH11 ARG 29 1HH1 ARG 29 -0.150 -5.806 -2.661 183 HH12 ARG 29 2HH1 ARG 29 -1.538 -6.707 -3.224 184 HH21 ARG 29 1HH2 ARG 29 -3.313 -3.905 -4.455 185 HH22 ARG 29 2HH2 ARG 29 -3.226 -5.606 -4.478 186 H ASN 30 H ASN 30 -1.707 -0.109 -0.020 187 HA ASN 30 HA ASN 30 -1.255 1.891 -1.972 188 HB3 ASN 30 2HB ASN 30 -3.726 2.243 -1.840 189 HD21 ASN 30 1HD2 ASN 30 -5.345 0.155 -1.959 190 HD22 ASN 30 2HD2 ASN 30 -4.779 -1.114 -2.974 191 H ARG 31 H ARG 31 -2.241 2.227 1.453 192 HA ARG 31 HA ARG 31 -2.797 4.969 1.530 193 HB3 ARG 31 2HB ARG 31 -3.160 3.445 3.390 194 HG3 ARG 31 2HG ARG 31 -0.232 3.639 4.122 195 HD3 ARG 31 2HD ARG 31 -1.896 3.340 5.969 196 HE ARG 31 HE ARG 31 -2.496 0.817 4.463 197 HH11 ARG 31 1HH1 ARG 31 -3.882 3.271 6.560 198 HH12 ARG 31 2HH1 ARG 31 -4.840 2.118 7.466 199 HH21 ARG 31 1HH2 ARG 31 -3.796 -0.789 5.843 200 HH22 ARG 31 2HH2 ARG 31 -4.940 -0.067 6.875 201 H LEU 32 H LEU 32 0.287 3.432 1.955 202 HA LEU 32 HA LEU 32 2.011 5.545 2.459 203 HB3 LEU 32 2HB LEU 32 3.840 4.137 1.705 204 HG LEU 32 HG LEU 32 1.602 2.334 2.607 205 HD11 LEU 32 1HD1 LEU 32 4.580 1.762 2.758 206 HD12 LEU 32 2HD1 LEU 32 3.472 1.073 1.552 207 HD13 LEU 32 3HD1 LEU 32 3.269 0.667 3.235 208 HD21 LEU 32 3HD2 LEU 32 2.110 4.108 4.266 209 HD22 LEU 32 1HD2 LEU 32 3.787 3.558 4.313 210 HD23 LEU 32 2HD2 LEU 32 2.449 2.477 4.842 211 H LEU 33 H LEU 33 0.952 4.312 -0.705 212 HA LEU 33 HA LEU 33 2.535 6.127 -2.237 213 HB3 LEU 33 2HB LEU 33 -0.092 4.984 -3.178 214 HG LEU 33 HG LEU 33 1.375 6.132 -4.869 215 HD11 LEU 33 1HD1 LEU 33 3.627 5.528 -3.962 216 HD12 LEU 33 2HD1 LEU 33 3.433 4.914 -5.599 217 HD13 LEU 33 3HD1 LEU 33 3.264 3.804 -4.257 218 HD21 LEU 33 3HD2 LEU 33 1.118 3.097 -5.110 219 HD22 LEU 33 1HD2 LEU 33 1.354 4.234 -6.458 220 HD23 LEU 33 2HD2 LEU 33 -0.155 4.272 -5.500 221 H GLY 34 H GLY 34 -0.760 6.300 -0.869 222 HA2 GLY 34 1HA GLY 34 -1.735 8.666 -2.056 223 HA3 GLY 34 2HA GLY 34 -2.159 8.062 -0.452 224 H GLU 35 H GLU 35 0.046 8.274 1.082 225 HA GLU 35 HA GLU 35 0.200 11.101 1.512 226 HB3 GLU 35 2HB GLU 35 0.361 9.847 3.468 227 HG3 GLU 35 2HG GLU 35 2.645 8.354 2.224 228 H TRP 36 H TRP 36 2.349 8.960 -0.356 229 HA TRP 36 HA TRP 36 4.422 10.919 -0.720 230 HB3 TRP 36 2HB TRP 36 3.443 8.683 -2.494 231 HD1 TRP 36 HD TRP 36 6.636 10.929 -2.372 232 HE1 TRP 36 1HE TRP 36 7.423 11.309 -4.757 233 HE3 TRP 36 3HE TRP 36 2.890 8.444 -4.831 234 HZ2 TRP 36 2HZ TRP 36 6.596 10.502 -7.435 235 HZ3 TRP 36 3HZ TRP 36 2.838 8.417 -7.316 236 HH2 TRP 36 HH TRP 36 4.717 9.360 -8.612 237 H ALA 37 H ALA 37 1.554 10.169 -2.869 238 HA ALA 37 HA ALA 37 1.985 12.363 -4.574 239 HB1 ALA 37 1HB ALA 37 0.493 10.684 -5.278 240 HB2 ALA 37 2HB ALA 37 -0.553 10.900 -3.842 241 HB3 ALA 37 3HB ALA 37 -0.489 12.139 -5.105 242 H ALA 38 H ALA 38 0.091 12.331 -1.491 243 HA ALA 38 HA ALA 38 -1.188 14.747 -1.516 244 HB1 ALA 38 1HB ALA 38 0.438 13.653 0.812 245 HB2 ALA 38 2HB ALA 38 -0.895 14.806 0.903 246 HB3 ALA 38 3HB ALA 38 -1.201 13.147 0.360 247 H GLY 39 H GLY 39 2.329 14.413 -0.762 248 HA2 GLY 39 1HA GLY 39 2.832 17.185 -0.284 249 HA3 GLY 39 2HA GLY 39 4.033 15.966 -0.667 250 H LEU 40 H LEU 40 2.923 15.219 -3.190 251 HA LEU 40 HA LEU 40 4.251 17.152 -4.870 252 HB3 LEU 40 2HB LEU 40 3.507 15.573 -6.689 253 HG LEU 40 HG LEU 40 4.727 14.318 -4.182 254 HD11 LEU 40 1HD1 LEU 40 4.013 12.422 -5.321 255 HD12 LEU 40 2HD1 LEU 40 5.560 12.691 -6.137 256 HD13 LEU 40 3HD1 LEU 40 4.061 13.203 -6.914 257 HD21 LEU 40 3HD2 LEU 40 6.133 16.087 -5.201 258 HD22 LEU 40 1HD2 LEU 40 6.004 15.295 -6.789 259 HD23 LEU 40 2HD2 LEU 40 6.851 14.498 -5.444 260 H LEU 41 H LEU 41 0.826 16.196 -4.360 261 HA LEU 41 HA LEU 41 -0.315 18.171 -6.125 262 HB3 LEU 41 2HB LEU 41 -2.283 18.117 -4.578 263 HG LEU 41 HG LEU 41 -3.160 16.068 -5.115 264 HD11 LEU 41 1HD1 LEU 41 -2.630 15.623 -7.443 265 HD12 LEU 41 2HD1 LEU 41 -1.174 16.604 -7.355 266 HD13 LEU 41 3HD1 LEU 41 -2.780 17.366 -7.138 267 HD21 LEU 41 3HD2 LEU 41 -0.421 14.932 -5.542 268 HD22 LEU 41 1HD2 LEU 41 -1.937 14.093 -5.840 269 HD23 LEU 41 2HD2 LEU 41 -1.527 14.573 -4.186 270 H GLY 42 H GLY 42 0.719 18.240 -2.772 271 HA2 GLY 42 1HA GLY 42 1.762 20.117 -1.705 272 HA3 GLY 42 2HA GLY 42 0.977 21.219 -2.853 273 H LYS 43 H LYS 43 -0.305 18.491 -0.927 274 HA LYS 43 HA LYS 43 -2.382 20.210 0.276 275 HB3 LYS 43 2HB LYS 43 -3.079 18.137 1.389 276 HG3 LYS 43 2HG LYS 43 -3.646 16.671 -0.396 277 HD3 LYS 43 2HD LYS 43 -3.406 19.481 -1.589 278 HE3 LYS 43 2HE LYS 43 -5.518 17.442 -2.279 279 HZ1 LYS 43 3HZ LYS 43 -5.671 19.894 -2.807 280 HZ2 LYS 43 1HZ LYS 43 -5.865 18.856 -4.092 281 HZ3 LYS 43 2HZ LYS 43 -4.456 19.697 -3.873 282 H THR 44 H THR 44 -2.487 20.350 2.642 283 HA THR 44 HA THR 44 0.113 19.987 4.030 284 HB THR 44 HB THR 44 -0.294 22.384 4.976 285 HG1 THR 44 1HG THR 44 -2.274 22.855 3.925 286 HG21 THR 44 3HG2 THR 44 1.617 21.658 3.510 287 HG22 THR 44 1HG2 THR 44 1.160 23.355 3.339 288 HG23 THR 44 2HG2 THR 44 0.673 22.181 2.098 289 H GLY 45 H GLY 45 -0.010 19.787 6.251 290 HA2 GLY 45 1HA GLY 45 -0.810 19.821 8.349 291 HA3 GLY 45 2HA GLY 45 -2.279 20.633 7.771 292 H ASP 46 H ASP 46 -3.907 19.457 6.905 293 HA ASP 46 HA ASP 46 -4.149 16.702 7.964 294 HB3 ASP 46 2HB ASP 46 -6.121 19.001 8.069 295 H ASP 47 H ASP 47 -4.871 18.933 5.306 296 HA ASP 47 HA ASP 47 -6.681 17.200 3.857 297 HB3 ASP 47 2HB ASP 47 -5.189 18.556 1.930 298 H ALA 48 H ALA 48 -3.245 17.278 4.432 299 HA ALA 48 HA ALA 48 -2.501 15.595 2.209 300 HB1 ALA 48 1HB ALA 48 -1.095 16.174 4.864 301 HB2 ALA 48 2HB ALA 48 -0.346 15.391 3.459 302 HB3 ALA 48 3HB ALA 48 -0.873 17.086 3.350 303 H ARG 49 H ARG 49 -3.877 15.128 5.372 304 HA ARG 49 HA ARG 49 -3.182 12.286 5.533 305 HB3 ARG 49 2HB ARG 49 -4.550 12.331 7.584 306 HG3 ARG 49 2HG ARG 49 -2.548 14.623 7.494 307 HD3 ARG 49 2HD ARG 49 -3.301 12.650 9.688 308 HE ARG 49 HE ARG 49 -0.890 13.819 9.306 309 HH11 ARG 49 1HH1 ARG 49 -3.323 14.336 11.855 310 HH12 ARG 49 2HH1 ARG 49 -2.130 14.504 13.095 311 HH21 ARG 49 1HH2 ARG 49 0.576 14.137 10.816 312 HH22 ARG 49 2HH2 ARG 49 0.230 14.325 12.511 313 H ALA 50 H ALA 50 -6.112 14.321 5.042 314 HA ALA 50 HA ALA 50 -7.941 12.316 4.365 315 HB1 ALA 50 1HB ALA 50 -7.605 15.064 3.126 316 HB2 ALA 50 2HB ALA 50 -9.051 14.041 2.990 317 HB3 ALA 50 3HB ALA 50 -8.556 14.670 4.573 318 H TYR 51 H TYR 51 -5.687 13.965 2.092 319 HA TYR 51 HA TYR 51 -6.307 12.448 -0.152 320 HB3 TYR 51 2HB TYR 51 -3.578 13.585 0.568 321 HD1 TYR 51 1HD TYR 51 -2.885 11.553 -0.970 322 HD2 TYR 51 2HD TYR 51 -5.184 14.940 -2.348 323 HE1 TYR 51 1HE TYR 51 -2.615 10.779 -3.233 324 HE2 TYR 51 2HE TYR 51 -4.713 14.277 -4.708 325 HH TYR 51 HH TYR 51 -3.811 12.698 -6.078 326 H ALA 52 H ALA 52 -3.810 11.645 2.333 327 HA ALA 52 HA ALA 52 -3.053 9.181 1.144 328 HB1 ALA 52 1HB ALA 52 -1.686 10.535 2.730 329 HB2 ALA 52 2HB ALA 52 -2.766 9.994 4.040 330 HB3 ALA 52 3HB ALA 52 -1.765 8.818 3.140 331 H LEU 53 H LEU 53 -5.951 9.860 2.931 332 HA LEU 53 HA LEU 53 -6.199 7.052 3.876 333 HB3 LEU 53 2HB LEU 53 -8.005 8.265 5.376 334 HG LEU 53 HG LEU 53 -4.993 8.552 5.667 335 HD11 LEU 53 1HD1 LEU 53 -5.891 10.487 6.882 336 HD12 LEU 53 2HD1 LEU 53 -5.381 9.258 8.016 337 HD13 LEU 53 3HD1 LEU 53 -7.101 9.454 7.694 338 HD21 LEU 53 3HD2 LEU 53 -5.308 6.901 7.436 339 HD22 LEU 53 1HD2 LEU 53 -6.093 6.291 5.967 340 HD23 LEU 53 2HD2 LEU 53 -7.066 6.996 7.276 341 H THR 54 H THR 54 -7.105 8.172 1.032 342 HA THR 54 HA THR 54 -10.034 7.746 1.335 343 HB THR 54 HB THR 54 -9.345 10.017 0.735 344 HG1 THR 54 1HG THR 54 -11.293 9.442 -0.096 345 HG21 THR 54 3HG2 THR 54 -7.280 9.514 -0.509 346 HG22 THR 54 1HG2 THR 54 -8.359 10.561 -1.396 347 HG23 THR 54 2HG2 THR 54 -8.238 8.846 -1.849 348 H VAL 55 H VAL 55 -7.074 6.613 -0.283 349 HA VAL 55 HA VAL 55 -8.488 4.961 -2.158 350 HB VAL 55 HB VAL 55 -6.346 4.028 -2.635 351 HG11 VAL 55 1HG1 VAL 55 -6.815 6.130 -3.664 352 HG12 VAL 55 2HG1 VAL 55 -6.129 7.031 -2.316 353 HG13 VAL 55 3HG1 VAL 55 -5.096 6.002 -3.322 354 HG21 VAL 55 3HG2 VAL 55 -4.282 4.865 -1.361 355 HG22 VAL 55 1HG2 VAL 55 -5.409 5.219 -0.037 356 HG23 VAL 55 2HG2 VAL 55 -5.267 3.576 -0.657 357 H VAL 56 H VAL 56 -8.302 4.571 1.220 358 HA VAL 56 HA VAL 56 -7.936 1.628 1.082 359 HB VAL 56 HB VAL 56 -5.833 2.668 1.431 360 HG11 VAL 56 1HG1 VAL 56 -5.231 4.016 3.375 361 HG12 VAL 56 2HG1 VAL 56 -6.437 4.842 2.405 362 HG13 VAL 56 3HG1 VAL 56 -6.899 4.049 3.923 363 HG21 VAL 56 3HG2 VAL 56 -6.295 0.542 2.498 364 HG22 VAL 56 1HG2 VAL 56 -5.126 1.493 3.421 365 HG23 VAL 56 2HG2 VAL 56 -6.811 1.371 3.984 366 H THR 57 H THR 57 -10.168 1.529 1.195 367 HA THR 57 HA THR 57 -11.484 1.996 3.760 368 HB THR 57 HB THR 57 -11.125 4.296 3.003 369 HG1 THR 57 1HG THR 57 -13.070 4.155 3.968 370 HG21 THR 57 3HG2 THR 57 -10.916 3.942 0.558 371 HG22 THR 57 1HG2 THR 57 -12.105 5.188 0.944 372 HG23 THR 57 2HG2 THR 57 -12.645 3.565 0.457 373 H SER 58 H SER 58 -11.580 1.033 0.399 374 HA SER 58 HA SER 58 -14.371 0.565 0.202 375 HB3 SER 58 2HB SER 58 -12.186 -0.849 -1.367 376 HG SER 58 HG SER 58 -13.721 -0.738 -2.963 377 H ASP 59 H ASP 59 -15.527 -0.943 1.341 378 HA ASP 59 HA ASP 59 -14.408 -3.309 2.546 379 HB3 ASP 59 2HB ASP 59 -17.315 -3.119 1.727 380 H PHE 60 H PHE 60 -15.409 -2.469 -0.645 381 HA PHE 60 HA PHE 60 -15.942 -5.208 -1.548 382 HB3 PHE 60 2HB PHE 60 -16.535 -4.000 -3.693 383 HD1 PHE 60 2HD PHE 60 -17.738 -2.122 -0.641 384 HD2 PHE 60 1HD PHE 60 -18.643 -5.003 -3.737 385 HE1 PHE 60 2HE PHE 60 -20.072 -2.215 0.131 386 HE2 PHE 60 1HE PHE 60 -20.995 -5.064 -2.974 387 HZ PHE 60 HZ PHE 60 -21.710 -3.695 -1.023 388 H ASP 61 H ASP 61 -14.302 -2.614 -3.416 389 HA ASP 61 HA ASP 61 -11.708 -3.838 -3.540 390 HB3 ASP 61 2HB ASP 61 -13.468 -3.965 -6.029 391 H GLU 62 H GLU 62 -10.542 -2.574 -5.589 392 HA GLU 62 HA GLU 62 -11.877 -0.129 -6.331 393 HB3 GLU 62 2HB GLU 62 -10.764 0.717 -4.372 394 HG3 GLU 62 2HG GLU 62 -8.158 0.881 -4.494 395 HA PRO 63 HA PRO 63 -10.096 -1.093 -10.185 396 HB3 PRO 63 2HB PRO 63 -10.905 0.739 -11.165 397 HG3 PRO 63 2HG PRO 63 -11.074 2.784 -9.951 398 HD3 PRO 63 2HD PRO 63 -12.012 1.000 -8.664 399 H GLY 64 H GLY 64 -8.030 -1.019 -7.871 400 HA2 GLY 64 1HA GLY 64 -5.477 -0.145 -8.575 401 HA3 GLY 64 2HA GLY 64 -5.876 -1.453 -7.477 402 H ASP 65 H ASP 65 -3.654 -1.583 -8.779 403 HA ASP 65 HA ASP 65 -2.190 -2.436 -10.130 404 HB3 ASP 65 2HB ASP 65 -3.759 -4.967 -10.343 405 H GLU 66 H GLU 66 -5.215 -2.005 -11.680 406 HA GLU 66 HA GLU 66 -3.830 -2.186 -14.327 407 HB3 GLU 66 2HB GLU 66 -6.307 -2.091 -15.158 408 HG3 GLU 66 2HG GLU 66 -6.600 -4.541 -14.911 409 H ASP 67 H ASP 67 -6.606 -0.256 -12.990 410 HA ASP 67 HA ASP 67 -5.896 1.934 -14.779 411 HB3 ASP 67 2HB ASP 67 -7.750 2.388 -12.505 412 H VAL 68 H VAL 68 -4.658 0.923 -11.884 413 HA VAL 68 HA VAL 68 -4.384 3.136 -10.227 414 HB VAL 68 HB VAL 68 -3.939 0.746 -9.785 415 HG11 VAL 68 1HG1 VAL 68 -2.597 0.255 -11.806 416 HG12 VAL 68 2HG1 VAL 68 -1.238 1.150 -11.092 417 HG13 VAL 68 3HG1 VAL 68 -1.835 -0.305 -10.295 418 HG21 VAL 68 3HG2 VAL 68 -1.636 2.559 -8.986 419 HG22 VAL 68 1HG2 VAL 68 -3.213 2.439 -8.177 420 HG23 VAL 68 2HG2 VAL 68 -2.117 1.045 -8.189 421 H PHE 69 H PHE 69 -2.116 2.146 -12.884 422 HA PHE 69 HA PHE 69 -0.302 4.301 -12.426 423 HB3 PHE 69 2HB PHE 69 -0.860 2.565 -14.850 424 HD1 PHE 69 1HD PHE 69 2.268 4.330 -13.575 425 HD2 PHE 69 2HD PHE 69 -0.600 3.844 -16.805 426 HE1 PHE 69 1HE PHE 69 3.503 5.916 -14.943 427 HE2 PHE 69 2HE PHE 69 0.717 5.420 -18.180 428 HZ PHE 69 HZ PHE 69 2.749 6.483 -17.248 429 H ARG 70 H ARG 70 -3.005 3.916 -14.727 430 HA ARG 70 HA ARG 70 -3.054 6.458 -15.948 431 HB3 ARG 70 2HB ARG 70 -5.688 5.919 -15.735 432 HG3 ARG 70 2HG ARG 70 -5.318 3.925 -17.407 433 HD3 ARG 70 2HD ARG 70 -4.392 6.759 -18.037 434 HE ARG 70 HE ARG 70 -4.301 4.598 -19.684 435 HH11 ARG 70 1HH1 ARG 70 -6.452 7.431 -19.651 436 HH12 ARG 70 2HH1 ARG 70 -6.819 7.340 -21.358 437 HH21 ARG 70 1HH2 ARG 70 -4.549 4.685 -21.937 438 HH22 ARG 70 2HH2 ARG 70 -5.526 5.875 -22.697 439 H LYS 71 H LYS 71 -4.520 5.408 -12.839 440 HA LYS 71 HA LYS 71 -5.826 7.914 -12.466 441 HB3 LYS 71 2HB LYS 71 -5.200 5.659 -10.509 442 HG3 LYS 71 2HG LYS 71 -7.017 8.066 -10.303 443 HD3 LYS 71 2HD LYS 71 -7.651 5.234 -9.496 444 HE3 LYS 71 2HE LYS 71 -7.464 6.384 -7.344 445 HZ1 LYS 71 3HZ LYS 71 -9.560 8.232 -8.324 446 HZ2 LYS 71 1HZ LYS 71 -7.995 8.660 -8.083 447 HZ3 LYS 71 2HZ LYS 71 -8.916 8.168 -6.821 448 H LEU 72 H LEU 72 -2.829 6.596 -11.108 449 HA LEU 72 HA LEU 72 -2.153 8.904 -9.504 450 HB3 LEU 72 2HB LEU 72 0.244 7.996 -9.840 451 HG LEU 72 HG LEU 72 -2.053 6.503 -8.584 452 HD11 LEU 72 1HD1 LEU 72 -0.629 4.713 -9.576 453 HD12 LEU 72 2HD1 LEU 72 -0.682 4.694 -7.813 454 HD13 LEU 72 3HD1 LEU 72 0.747 5.337 -8.662 455 HD21 LEU 72 3HD2 LEU 72 -0.715 6.881 -6.553 456 HD22 LEU 72 1HD2 LEU 72 -0.974 8.411 -7.406 457 HD23 LEU 72 2HD2 LEU 72 0.591 7.595 -7.505 458 H ALA 73 H ALA 73 -1.322 7.980 -12.899 459 HA ALA 73 HA ALA 73 0.285 10.206 -13.485 460 HB1 ALA 73 1HB ALA 73 -1.557 8.559 -15.278 461 HB2 ALA 73 2HB ALA 73 -0.360 9.721 -15.855 462 HB3 ALA 73 3HB ALA 73 0.173 8.279 -14.974 463 H ALA 74 H ALA 74 -3.244 9.820 -13.937 464 HA ALA 74 HA ALA 74 -3.814 12.372 -14.938 465 HB1 ALA 74 1HB ALA 74 -6.118 11.883 -14.197 466 HB2 ALA 74 2HB ALA 74 -5.379 10.427 -14.896 467 HB3 ALA 74 3HB ALA 74 -5.524 10.592 -13.137 468 H ASP 75 H ASP 75 -3.299 11.348 -11.540 469 HA ASP 75 HA ASP 75 -4.373 13.808 -10.468 470 HB3 ASP 75 2HB ASP 75 -2.547 12.457 -8.636 471 H LEU 76 H LEU 76 -1.009 12.555 -10.938 472 HA LEU 76 HA LEU 76 0.162 15.101 -10.113 473 HB3 LEU 76 2HB LEU 76 2.206 13.733 -10.215 474 HG LEU 76 HG LEU 76 2.107 12.587 -8.414 475 HD11 LEU 76 1HD1 LEU 76 -0.576 13.905 -7.980 476 HD12 LEU 76 2HD1 LEU 76 1.003 14.719 -7.867 477 HD13 LEU 76 3HD1 LEU 76 0.612 13.393 -6.764 478 HD21 LEU 76 3HD2 LEU 76 0.605 10.984 -7.616 479 HD22 LEU 76 1HD2 LEU 76 0.918 10.697 -9.335 480 HD23 LEU 76 2HD2 LEU 76 -0.615 11.440 -8.821 481 H GLU 77 H GLU 77 -1.077 14.743 -13.015 482 HA GLU 77 HA GLU 77 1.011 14.390 -14.823 483 HB3 GLU 77 2HB GLU 77 -1.498 16.004 -15.326 484 HG3 GLU 77 2HG GLU 77 0.548 14.572 -17.030 485 H GLY 78 H GLY 78 2.840 15.499 -14.335 486 HA2 GLY 78 1HA GLY 78 4.105 17.446 -15.328 487 HA3 GLY 78 2HA GLY 78 2.883 18.481 -14.605 488 H LYS 79 H LYS 79 3.197 16.146 -12.348 489 HA LYS 79 HA LYS 79 5.395 17.464 -10.859 490 HB3 LYS 79 2HB LYS 79 4.056 17.069 -8.896 491 HG3 LYS 79 2HG LYS 79 1.928 18.176 -10.698 492 HD3 LYS 79 2HD LYS 79 3.050 20.273 -9.372 493 HE3 LYS 79 2HE LYS 79 0.975 18.343 -8.243 494 HZ1 LYS 79 3HZ LYS 79 1.609 19.996 -6.656 495 HZ2 LYS 79 1HZ LYS 79 0.082 20.282 -7.212 496 HZ3 LYS 79 2HZ LYS 79 1.330 21.233 -7.711 497 H ALA 80 H ALA 80 3.830 14.322 -11.631 498 HA ALA 80 HA ALA 80 6.358 13.007 -10.958 499 HB1 ALA 80 1HB ALA 80 3.661 12.013 -9.937 500 HB2 ALA 80 2HB ALA 80 5.195 11.209 -9.778 501 HB3 ALA 80 3HB ALA 80 4.944 12.737 -8.921 502 H ASP 81 H ASP 81 6.828 12.032 -12.830 503 HA ASP 81 HA ASP 81 4.692 11.209 -14.718 504 HB3 ASP 81 2HB ASP 81 6.535 11.043 -16.335 505 H GLU 82 H GLU 82 5.816 9.234 -16.140 506 HA GLU 82 HA GLU 82 5.296 6.948 -14.625 507 HB3 GLU 82 2HB GLU 82 6.748 7.247 -17.286 508 HG3 GLU 82 2HG GLU 82 5.571 4.867 -15.808 509 H GLU 83 H GLU 83 8.422 8.475 -15.285 510 HA GLU 83 HA GLU 83 10.227 6.539 -14.442 511 HB3 GLU 83 2HB GLU 83 10.208 9.563 -14.119 512 HG3 GLU 83 2HG GLU 83 12.532 7.617 -13.823 513 H THR 84 H THR 84 7.926 8.300 -12.454 514 HA THR 84 HA THR 84 9.308 7.275 -10.002 515 HB THR 84 HB THR 84 9.582 9.687 -10.781 516 HG1 THR 84 1HG THR 84 10.112 10.088 -8.924 517 HG21 THR 84 3HG2 THR 84 7.943 11.287 -9.862 518 HG22 THR 84 1HG2 THR 84 6.838 9.917 -9.604 519 HG23 THR 84 2HG2 THR 84 7.355 10.365 -11.246 520 H ILE 85 H ILE 85 6.219 8.009 -11.557 521 HA ILE 85 HA ILE 85 4.528 7.090 -9.480 522 HB ILE 85 HB ILE 85 4.214 6.930 -12.478 523 HG13 ILE 85 2HG1 ILE 85 4.284 9.240 -11.279 524 HG21 ILE 85 1HG2 ILE 85 1.766 6.504 -12.122 525 HG22 ILE 85 2HG2 ILE 85 2.704 5.209 -11.435 526 HG23 ILE 85 3HG2 ILE 85 2.045 6.450 -10.368 527 HD11 ILE 85 3HD1 ILE 85 2.204 10.170 -12.226 528 HD12 ILE 85 1HD1 ILE 85 3.098 9.180 -13.407 529 HD13 ILE 85 2HD1 ILE 85 1.635 8.559 -12.615 530 H ARG 86 H ARG 86 5.597 5.146 -12.361 531 HA ARG 86 HA ARG 86 4.453 2.742 -11.247 532 HB3 ARG 86 2HB ARG 86 6.108 1.625 -12.920 533 HG3 ARG 86 2HG ARG 86 4.342 3.656 -14.247 534 HD3 ARG 86 2HD ARG 86 5.735 2.035 -15.570 535 HE ARG 86 HE ARG 86 4.187 0.065 -14.062 536 HH11 ARG 86 1HH1 ARG 86 5.967 0.603 -17.115 537 HH12 ARG 86 2HH1 ARG 86 5.945 -1.047 -17.559 538 HH21 ARG 86 1HH2 ARG 86 4.431 -2.222 -14.556 539 HH22 ARG 86 2HH2 ARG 86 5.193 -2.671 -16.021 540 H ALA 87 H ALA 87 7.482 4.371 -10.848 541 HA ALA 87 HA ALA 87 8.974 2.142 -9.740 542 HB1 ALA 87 1HB ALA 87 10.053 4.222 -10.589 543 HB2 ALA 87 2HB ALA 87 9.389 5.112 -9.206 544 HB3 ALA 87 3HB ALA 87 10.555 3.804 -8.941 545 H LYS 88 H LYS 88 7.508 4.962 -8.008 546 HA LYS 88 HA LYS 88 7.719 3.949 -5.388 547 HB3 LYS 88 2HB LYS 88 5.748 5.527 -4.930 548 HG3 LYS 88 2HG LYS 88 6.884 7.619 -5.938 549 HD3 LYS 88 2HD LYS 88 9.264 6.934 -4.794 550 HE3 LYS 88 2HE LYS 88 6.683 7.637 -3.337 551 HZ1 LYS 88 3HZ LYS 88 9.477 8.087 -2.491 552 HZ2 LYS 88 1HZ LYS 88 8.492 6.960 -1.812 553 HZ3 LYS 88 2HZ LYS 88 8.123 8.560 -1.677 554 H MET 89 H MET 89 5.188 3.370 -7.819 555 HA MET 89 HA MET 89 3.397 1.958 -6.100 556 HB3 MET 89 2HB MET 89 3.820 1.927 -9.100 557 HG3 MET 89 2HG MET 89 1.384 1.136 -9.098 558 HE1 MET 89 3HE MET 89 2.281 -0.092 -11.186 559 HE2 MET 89 1HE MET 89 3.929 0.363 -10.691 560 HE3 MET 89 2HE MET 89 3.570 -1.311 -11.139 561 H VAL 90 H VAL 90 5.898 0.628 -8.402 562 HA VAL 90 HA VAL 90 5.680 -2.066 -7.699 563 HB VAL 90 HB VAL 90 7.957 -0.329 -8.715 564 HG11 VAL 90 1HG1 VAL 90 9.168 -2.388 -9.373 565 HG12 VAL 90 2HG1 VAL 90 9.116 -2.167 -7.633 566 HG13 VAL 90 3HG1 VAL 90 8.036 -3.356 -8.399 567 HG21 VAL 90 3HG2 VAL 90 6.400 -2.520 -10.141 568 HG22 VAL 90 1HG2 VAL 90 5.933 -0.815 -10.177 569 HG23 VAL 90 2HG2 VAL 90 7.499 -1.291 -10.820 570 H GLU 91 H GLU 91 7.857 0.431 -6.338 571 HA GLU 91 HA GLU 91 9.319 -1.141 -4.624 572 HB3 GLU 91 2HB GLU 91 8.434 1.727 -4.117 573 HG3 GLU 91 2HG GLU 91 10.293 0.086 -2.739 574 H LEU 92 H LEU 92 6.063 0.216 -4.088 575 HA LEU 92 HA LEU 92 6.265 -0.286 -1.151 576 HB3 LEU 92 2HB LEU 92 3.884 0.728 -1.279 577 HG LEU 92 HG LEU 92 6.187 2.468 -2.295 578 HD11 LEU 92 1HD1 LEU 92 3.372 3.022 -1.510 579 HD12 LEU 92 2HD1 LEU 92 4.518 3.918 -2.525 580 HD13 LEU 92 3HD1 LEU 92 4.577 4.108 -0.787 581 HD21 LEU 92 3HD2 LEU 92 5.365 2.088 0.596 582 HD22 LEU 92 1HD2 LEU 92 6.599 3.180 -0.023 583 HD23 LEU 92 2HD2 LEU 92 6.867 1.462 -0.145 584 H ARG 93 H ARG 93 5.161 -1.694 -3.968 585 HA ARG 93 HA ARG 93 3.106 -3.506 -2.828 586 HB3 ARG 93 2HB ARG 93 3.828 -4.496 -5.281 587 HG3 ARG 93 2HG ARG 93 1.548 -3.883 -4.920 588 HD3 ARG 93 2HD ARG 93 2.481 -0.975 -4.933 589 HE ARG 93 HE ARG 93 0.045 -2.053 -5.957 590 HH11 ARG 93 1HH1 ARG 93 1.209 0.554 -3.839 591 HH12 ARG 93 2HH1 ARG 93 -0.190 1.567 -4.111 592 HH21 ARG 93 1HH2 ARG 93 -1.753 -0.657 -6.330 593 HH22 ARG 93 2HH2 ARG 93 -1.987 0.784 -5.454 594 H ALA 94 H ALA 94 6.471 -3.629 -4.054 595 HA ALA 94 HA ALA 94 7.120 -6.298 -3.213 596 HB1 ALA 94 1HB ALA 94 8.802 -3.794 -3.682 597 HB2 ALA 94 2HB ALA 94 9.426 -5.441 -3.558 598 HB3 ALA 94 3HB ALA 94 8.364 -5.008 -4.905 599 H THR 95 H THR 95 7.543 -3.105 -1.654 600 HA THR 95 HA THR 95 8.881 -4.128 0.664 601 HB THR 95 HB THR 95 7.435 -1.506 0.157 602 HG1 THR 95 1HG THR 95 9.177 -1.543 -1.006 603 HG21 THR 95 3HG2 THR 95 9.180 -2.405 2.548 604 HG22 THR 95 1HG2 THR 95 7.476 -1.935 2.678 605 HG23 THR 95 2HG2 THR 95 8.695 -0.734 2.256 606 H ALA 96 H ALA 96 5.355 -3.069 0.232 607 HA ALA 96 HA ALA 96 4.926 -3.282 2.897 608 HB1 ALA 96 1HB ALA 96 2.498 -3.673 2.363 609 HB2 ALA 96 2HB ALA 96 3.246 -2.394 1.391 610 HB3 ALA 96 3HB ALA 96 2.953 -4.007 0.674 611 H ARG 97 H ARG 97 5.178 -5.886 0.569 612 HA ARG 97 HA ARG 97 4.251 -8.132 2.099 613 HB3 ARG 97 2HB ARG 97 6.170 -9.149 0.424 614 HG3 ARG 97 2HG ARG 97 3.499 -8.001 -0.494 615 HD3 ARG 97 2HD ARG 97 3.671 -9.910 -2.121 616 HE ARG 97 HE ARG 97 5.138 -7.422 -2.352 617 HH11 ARG 97 1HH1 ARG 97 3.916 -10.273 -4.098 618 HH12 ARG 97 2HH1 ARG 97 4.102 -9.549 -5.654 619 HH21 ARG 97 1HH2 ARG 97 5.417 -6.530 -4.506 620 HH22 ARG 97 2HH2 ARG 97 4.907 -7.457 -5.884 621 H GLU 98 H GLU 98 7.479 -6.572 1.851 622 HA GLU 98 HA GLU 98 8.792 -8.240 3.810 623 HB3 GLU 98 2HB GLU 98 10.190 -5.856 3.673 624 HG3 GLU 98 2HG GLU 98 11.272 -6.709 1.546 625 H GLN 99 H GLN 99 6.645 -5.392 3.964 626 HA GLN 99 HA GLN 99 7.880 -4.460 6.350 627 HB3 GLN 99 2HB GLN 99 6.801 -3.201 4.284 628 HG3 GLN 99 2HG GLN 99 4.702 -2.972 6.383 629 HE21 GLN 99 1HE2 GLN 99 6.045 -0.556 5.478 630 HE22 GLN 99 2HE2 GLN 99 5.108 0.155 4.178 631 H ILE 100 H ILE 100 4.865 -6.009 5.581 632 HA ILE 100 HA ILE 100 3.270 -5.576 7.778 633 HB ILE 100 HB ILE 100 3.646 -8.090 6.171 634 HG13 ILE 100 2HG1 ILE 100 1.313 -7.556 5.307 635 HG21 ILE 100 1HG2 ILE 100 2.778 -9.062 8.139 636 HG22 ILE 100 2HG2 ILE 100 1.581 -7.778 8.363 637 HG23 ILE 100 3HG2 ILE 100 1.427 -8.956 7.036 638 HD11 ILE 100 3HD1 ILE 100 0.344 -5.406 5.541 639 HD12 ILE 100 1HD1 ILE 100 0.566 -6.037 7.175 640 HD13 ILE 100 2HD1 ILE 100 1.688 -4.817 6.526 641 H ILE 101 H ILE 101 5.611 -8.349 7.760 642 HA ILE 101 HA ILE 101 4.908 -9.206 10.383 643 HB ILE 101 HB ILE 101 7.335 -9.692 8.707 644 HG13 ILE 101 2HG1 ILE 101 5.217 -10.592 7.807 645 HG21 ILE 101 1HG2 ILE 101 7.907 -11.510 10.293 646 HG22 ILE 101 2HG2 ILE 101 7.975 -9.935 11.044 647 HG23 ILE 101 3HG2 ILE 101 6.580 -10.982 11.364 648 HD11 ILE 101 3HD1 ILE 101 7.210 -12.188 7.953 649 HD12 ILE 101 1HD1 ILE 101 6.351 -12.901 9.346 650 HD13 ILE 101 2HD1 ILE 101 5.599 -12.913 7.742 651 H SER 102 H SER 102 6.937 -6.595 9.256 652 HA SER 102 HA SER 102 8.485 -6.394 11.715 653 HB3 SER 102 2HB SER 102 8.069 -4.303 9.559 654 HG SER 102 HG SER 102 9.064 -3.720 11.612 655 H GLU 103 H GLU 103 5.250 -5.606 10.946 656 HA GLU 103 HA GLU 103 5.034 -3.458 12.998 657 HB3 GLU 103 2HB GLU 103 2.799 -3.092 11.993 658 HG3 GLU 103 2HG GLU 103 3.366 -2.725 9.574 659 H ILE 104 H ILE 104 4.389 -6.693 12.326 660 HA ILE 104 HA ILE 104 2.023 -7.304 13.822 661 HB ILE 104 HB ILE 104 4.388 -9.005 12.975 662 HG13 ILE 104 2HG1 ILE 104 2.923 -8.222 11.197 663 HG21 ILE 104 1HG2 ILE 104 1.867 -10.185 14.189 664 HG22 ILE 104 2HG2 ILE 104 3.371 -10.998 13.660 665 HG23 ILE 104 3HG2 ILE 104 3.400 -10.013 15.076 666 HD11 ILE 104 3HD1 ILE 104 1.733 -10.934 11.602 667 HD12 ILE 104 1HD1 ILE 104 2.220 -10.152 10.105 668 HD13 ILE 104 2HD1 ILE 104 3.464 -10.784 11.210
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